USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 574 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 NoAdj-H: A 39 ASP H : A 39 ASP N : A 301 CACA :(H bumps) USER MOD Single : A 18 SER OG : rot 39:sc= 0.0574 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.0357 (180deg=-0.504) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0.0725 (180deg=0.0726) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -7.34! C(o=-7.3!,f=-0.007!) USER MOD Single : A 44 CYS SG : rot 180:sc= -1.91 USER MOD Single : A 49 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.76) USER MOD Single : A 50 CYS SG : rot -159:sc= 0.526 USER MOD Single : A 51 MET CE :methyl -139:sc= -0.672 (180deg=-2.68!) USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -81:sc= 1.22 USER MOD Single : A 68 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.56) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.9) USER MOD Single : A 77 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-5.6!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0315) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 18 -10.445 -0.009 0.344 1.00 0.00 N ATOM 2 CA SER A 18 -11.738 -0.671 0.014 1.00 0.00 C ATOM 3 C SER A 18 -11.469 -1.915 -0.825 1.00 0.00 C ATOM 4 O SER A 18 -10.339 -2.396 -0.894 1.00 0.00 O ATOM 5 CB SER A 18 -12.624 0.302 -0.763 1.00 0.00 C ATOM 6 OG SER A 18 -12.944 1.411 0.068 1.00 0.00 O ATOM 0 HA SER A 18 -12.248 -0.962 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.109 0.642 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.536 -0.199 -1.088 1.00 0.00 H new ATOM 0 HG SER A 18 -12.161 1.654 0.605 1.00 0.00 H new ATOM 11 N LEU A 19 -12.515 -2.427 -1.467 1.00 0.00 N ATOM 12 CA LEU A 19 -12.382 -3.617 -2.306 1.00 0.00 C ATOM 13 C LEU A 19 -11.513 -4.661 -1.620 1.00 0.00 C ATOM 14 O LEU A 19 -10.316 -4.769 -1.898 1.00 0.00 O ATOM 15 CB LEU A 19 -11.761 -3.234 -3.656 1.00 0.00 C ATOM 16 CG LEU A 19 -12.842 -2.656 -4.571 1.00 0.00 C ATOM 17 CD1 LEU A 19 -13.459 -1.417 -3.918 1.00 0.00 C ATOM 18 CD2 LEU A 19 -12.216 -2.272 -5.913 1.00 0.00 C ATOM 0 H LEU A 19 -13.458 -2.041 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.373 -4.040 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.966 -2.503 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.307 -4.109 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.620 -3.402 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.229 -1.007 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.904 -1.693 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.684 -0.668 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.984 -1.860 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.438 -1.526 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.780 -3.156 -6.377 1.00 0.00 H new ATOM 30 N ARG A 20 -12.121 -5.426 -0.719 1.00 0.00 N ATOM 31 CA ARG A 20 -11.389 -6.450 0.005 1.00 0.00 C ATOM 32 C ARG A 20 -11.303 -7.741 -0.820 1.00 0.00 C ATOM 33 O ARG A 20 -12.230 -8.069 -1.565 1.00 0.00 O ATOM 34 CB ARG A 20 -12.069 -6.747 1.339 1.00 0.00 C ATOM 35 CG ARG A 20 -11.848 -5.571 2.289 1.00 0.00 C ATOM 36 CD ARG A 20 -12.695 -5.764 3.545 1.00 0.00 C ATOM 37 NE ARG A 20 -12.243 -6.939 4.281 1.00 0.00 N ATOM 38 CZ ARG A 20 -11.145 -6.901 5.030 1.00 0.00 C ATOM 39 NH1 ARG A 20 -10.453 -5.798 5.117 1.00 0.00 N ATOM 40 NH2 ARG A 20 -10.761 -7.965 5.680 1.00 0.00 N ATOM 0 H ARG A 20 -13.109 -5.355 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.381 -6.077 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.136 -6.912 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.663 -7.661 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.794 -5.499 2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.117 -4.636 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.626 -4.880 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.744 -5.878 3.271 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.778 -7.805 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.754 -4.966 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.611 -5.768 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.303 -8.826 5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.919 -7.935 6.254 1.00 0.00 H new ATOM 54 N PRO A 21 -10.222 -8.470 -0.699 1.00 0.00 N ATOM 55 CA PRO A 21 -10.021 -9.747 -1.447 1.00 0.00 C ATOM 56 C PRO A 21 -10.932 -10.864 -0.936 1.00 0.00 C ATOM 57 O PRO A 21 -11.247 -11.802 -1.667 1.00 0.00 O ATOM 58 CB PRO A 21 -8.542 -10.081 -1.200 1.00 0.00 C ATOM 59 CG PRO A 21 -8.207 -9.411 0.098 1.00 0.00 C ATOM 60 CD PRO A 21 -9.072 -8.162 0.167 1.00 0.00 C ATOM 0 HA PRO A 21 -10.268 -9.648 -2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.385 -11.158 -1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.913 -9.711 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.410 -10.072 0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.149 -9.154 0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.388 -7.953 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.532 -7.284 -0.186 1.00 0.00 H new ATOM 68 N GLU A 22 -11.335 -10.762 0.328 1.00 0.00 N ATOM 69 CA GLU A 22 -12.188 -11.779 0.927 1.00 0.00 C ATOM 70 C GLU A 22 -13.554 -11.794 0.254 1.00 0.00 C ATOM 71 O GLU A 22 -14.144 -12.855 0.048 1.00 0.00 O ATOM 72 CB GLU A 22 -12.354 -11.507 2.425 1.00 0.00 C ATOM 73 CG GLU A 22 -13.128 -12.658 3.070 1.00 0.00 C ATOM 74 CD GLU A 22 -13.249 -12.425 4.573 1.00 0.00 C ATOM 75 OE1 GLU A 22 -12.962 -11.323 5.007 1.00 0.00 O ATOM 76 OE2 GLU A 22 -13.628 -13.354 5.268 1.00 0.00 O ATOM 0 H GLU A 22 -11.087 -9.993 0.950 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.717 -12.752 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.377 -11.402 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.884 -10.567 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.120 -12.736 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.618 -13.602 2.880 1.00 0.00 H new ATOM 83 N GLU A 23 -14.052 -10.613 -0.089 1.00 0.00 N ATOM 84 CA GLU A 23 -15.352 -10.497 -0.739 1.00 0.00 C ATOM 85 C GLU A 23 -15.226 -10.745 -2.235 1.00 0.00 C ATOM 86 O GLU A 23 -16.080 -11.393 -2.838 1.00 0.00 O ATOM 87 CB GLU A 23 -15.938 -9.097 -0.489 1.00 0.00 C ATOM 88 CG GLU A 23 -16.504 -9.022 0.934 1.00 0.00 C ATOM 89 CD GLU A 23 -15.368 -9.033 1.953 1.00 0.00 C ATOM 90 OE1 GLU A 23 -14.228 -8.911 1.544 1.00 0.00 O ATOM 91 OE2 GLU A 23 -15.657 -9.173 3.128 1.00 0.00 O ATOM 0 H GLU A 23 -13.578 -9.724 0.071 1.00 0.00 H new ATOM 0 HA GLU A 23 -16.020 -11.248 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.166 -8.339 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.723 -8.886 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.098 -8.115 1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.171 -9.865 1.113 1.00 0.00 H new ATOM 98 N ILE A 24 -14.163 -10.216 -2.828 1.00 0.00 N ATOM 99 CA ILE A 24 -13.941 -10.382 -4.257 1.00 0.00 C ATOM 100 C ILE A 24 -13.735 -11.854 -4.600 1.00 0.00 C ATOM 101 O ILE A 24 -14.266 -12.353 -5.593 1.00 0.00 O ATOM 102 CB ILE A 24 -12.719 -9.574 -4.697 1.00 0.00 C ATOM 103 CG1 ILE A 24 -13.023 -8.078 -4.565 1.00 0.00 C ATOM 104 CG2 ILE A 24 -12.383 -9.896 -6.157 1.00 0.00 C ATOM 105 CD1 ILE A 24 -11.729 -7.279 -4.723 1.00 0.00 C ATOM 0 H ILE A 24 -13.447 -9.673 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.822 -10.018 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.870 -9.834 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.745 -7.775 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.474 -7.872 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.512 -9.318 -6.466 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.166 -10.960 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.232 -9.640 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.945 -6.215 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.021 -7.575 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.297 -7.476 -5.704 1.00 0.00 H new ATOM 117 N GLU A 25 -12.951 -12.543 -3.778 1.00 0.00 N ATOM 118 CA GLU A 25 -12.671 -13.954 -4.011 1.00 0.00 C ATOM 119 C GLU A 25 -13.972 -14.731 -4.176 1.00 0.00 C ATOM 120 O GLU A 25 -14.048 -15.663 -4.977 1.00 0.00 O ATOM 121 CB GLU A 25 -11.874 -14.528 -2.837 1.00 0.00 C ATOM 122 CG GLU A 25 -11.526 -15.992 -3.119 1.00 0.00 C ATOM 123 CD GLU A 25 -10.675 -16.554 -1.987 1.00 0.00 C ATOM 124 OE1 GLU A 25 -10.589 -15.903 -0.959 1.00 0.00 O ATOM 125 OE2 GLU A 25 -10.125 -17.628 -2.165 1.00 0.00 O ATOM 0 H GLU A 25 -12.501 -12.151 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.085 -14.047 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.962 -13.950 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.455 -14.452 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.439 -16.578 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.987 -16.071 -4.063 1.00 0.00 H new ATOM 132 N GLU A 26 -14.989 -14.347 -3.415 1.00 0.00 N ATOM 133 CA GLU A 26 -16.280 -15.020 -3.488 1.00 0.00 C ATOM 134 C GLU A 26 -16.917 -14.805 -4.857 1.00 0.00 C ATOM 135 O GLU A 26 -17.513 -15.721 -5.427 1.00 0.00 O ATOM 136 CB GLU A 26 -17.209 -14.482 -2.397 1.00 0.00 C ATOM 137 CG GLU A 26 -18.520 -15.269 -2.409 1.00 0.00 C ATOM 138 CD GLU A 26 -19.436 -14.777 -1.295 1.00 0.00 C ATOM 139 OE1 GLU A 26 -18.947 -14.087 -0.415 1.00 0.00 O ATOM 140 OE2 GLU A 26 -20.612 -15.096 -1.337 1.00 0.00 O ATOM 0 H GLU A 26 -14.946 -13.579 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.124 -16.088 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.730 -14.568 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.407 -13.423 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.014 -15.154 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.316 -16.332 -2.280 1.00 0.00 H new ATOM 147 N LEU A 27 -16.790 -13.592 -5.379 1.00 0.00 N ATOM 148 CA LEU A 27 -17.354 -13.263 -6.685 1.00 0.00 C ATOM 149 C LEU A 27 -16.643 -14.042 -7.784 1.00 0.00 C ATOM 150 O LEU A 27 -17.247 -14.400 -8.795 1.00 0.00 O ATOM 151 CB LEU A 27 -17.227 -11.764 -6.950 1.00 0.00 C ATOM 152 CG LEU A 27 -17.798 -10.984 -5.762 1.00 0.00 C ATOM 153 CD1 LEU A 27 -17.661 -9.482 -6.026 1.00 0.00 C ATOM 154 CD2 LEU A 27 -19.279 -11.342 -5.569 1.00 0.00 C ATOM 0 H LEU A 27 -16.304 -12.821 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.409 -13.539 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.181 -11.499 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.761 -11.499 -7.863 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.247 -11.246 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -18.067 -8.926 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.608 -9.230 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -18.210 -9.220 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.681 -10.785 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.836 -11.085 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.373 -12.411 -5.377 1.00 0.00 H new ATOM 166 N ARG A 28 -15.357 -14.297 -7.581 1.00 0.00 N ATOM 167 CA ARG A 28 -14.568 -15.030 -8.563 1.00 0.00 C ATOM 168 C ARG A 28 -15.155 -16.418 -8.792 1.00 0.00 C ATOM 169 O ARG A 28 -15.242 -16.887 -9.926 1.00 0.00 O ATOM 170 CB ARG A 28 -13.120 -15.158 -8.082 1.00 0.00 C ATOM 171 CG ARG A 28 -12.280 -15.849 -9.159 1.00 0.00 C ATOM 172 CD ARG A 28 -10.824 -15.926 -8.699 1.00 0.00 C ATOM 173 NE ARG A 28 -10.012 -16.590 -9.714 1.00 0.00 N ATOM 174 CZ ARG A 28 -9.478 -15.908 -10.724 1.00 0.00 C ATOM 175 NH1 ARG A 28 -9.680 -14.623 -10.819 1.00 0.00 N ATOM 176 NH2 ARG A 28 -8.754 -16.524 -11.617 1.00 0.00 N ATOM 0 H ARG A 28 -14.840 -14.009 -6.750 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.590 -14.479 -9.503 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.710 -14.172 -7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.083 -15.730 -7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.666 -16.851 -9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.347 -15.298 -10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.440 -14.923 -8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.760 -16.471 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.851 -17.595 -9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.246 -14.143 -10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.272 -14.098 -11.592 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.597 -17.529 -11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.345 -16.001 -12.391 1.00 0.00 H new ATOM 190 N GLU A 29 -15.553 -17.074 -7.707 1.00 0.00 N ATOM 191 CA GLU A 29 -16.124 -18.412 -7.804 1.00 0.00 C ATOM 192 C GLU A 29 -17.374 -18.395 -8.678 1.00 0.00 C ATOM 193 O GLU A 29 -17.563 -19.269 -9.524 1.00 0.00 O ATOM 194 CB GLU A 29 -16.484 -18.927 -6.409 1.00 0.00 C ATOM 195 CG GLU A 29 -16.972 -20.374 -6.505 1.00 0.00 C ATOM 196 CD GLU A 29 -17.303 -20.907 -5.116 1.00 0.00 C ATOM 197 OE1 GLU A 29 -16.907 -20.276 -4.150 1.00 0.00 O ATOM 198 OE2 GLU A 29 -17.946 -21.940 -5.038 1.00 0.00 O ATOM 0 H GLU A 29 -15.492 -16.705 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.384 -19.073 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.615 -18.869 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.259 -18.300 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.854 -20.427 -7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.205 -20.995 -6.968 1.00 0.00 H new ATOM 205 N ALA A 30 -18.223 -17.394 -8.470 1.00 0.00 N ATOM 206 CA ALA A 30 -19.449 -17.273 -9.247 1.00 0.00 C ATOM 207 C ALA A 30 -19.130 -17.082 -10.725 1.00 0.00 C ATOM 208 O ALA A 30 -19.732 -17.723 -11.586 1.00 0.00 O ATOM 209 CB ALA A 30 -20.274 -16.089 -8.744 1.00 0.00 C ATOM 0 H ALA A 30 -18.085 -16.660 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.024 -18.191 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.189 -16.007 -9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.529 -16.242 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.694 -15.172 -8.846 1.00 0.00 H new ATOM 215 N PHE A 31 -18.184 -16.195 -11.013 1.00 0.00 N ATOM 216 CA PHE A 31 -17.808 -15.920 -12.393 1.00 0.00 C ATOM 217 C PHE A 31 -17.515 -17.220 -13.134 1.00 0.00 C ATOM 218 O PHE A 31 -18.004 -17.434 -14.244 1.00 0.00 O ATOM 219 CB PHE A 31 -16.560 -15.033 -12.419 1.00 0.00 C ATOM 220 CG PHE A 31 -16.358 -14.486 -13.812 1.00 0.00 C ATOM 221 CD1 PHE A 31 -16.981 -13.290 -14.187 1.00 0.00 C ATOM 222 CD2 PHE A 31 -15.551 -15.169 -14.728 1.00 0.00 C ATOM 223 CE1 PHE A 31 -16.796 -12.775 -15.475 1.00 0.00 C ATOM 224 CE2 PHE A 31 -15.366 -14.655 -16.020 1.00 0.00 C ATOM 225 CZ PHE A 31 -15.987 -13.455 -16.393 1.00 0.00 C ATOM 0 H PHE A 31 -17.668 -15.659 -10.316 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.636 -15.409 -12.884 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.668 -14.214 -11.708 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.686 -15.608 -12.113 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -17.606 -12.763 -13.481 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -15.070 -16.092 -14.440 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.278 -11.852 -15.761 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -14.745 -15.184 -16.728 1.00 0.00 H new ATOM 0 HZ PHE A 31 -15.842 -13.056 -17.386 1.00 0.00 H new ATOM 235 N ARG A 32 -16.726 -18.084 -12.517 1.00 0.00 N ATOM 236 CA ARG A 32 -16.385 -19.364 -13.128 1.00 0.00 C ATOM 237 C ARG A 32 -17.615 -20.258 -13.234 1.00 0.00 C ATOM 238 O ARG A 32 -17.797 -20.966 -14.226 1.00 0.00 O ATOM 239 CB ARG A 32 -15.308 -20.071 -12.298 1.00 0.00 C ATOM 240 CG ARG A 32 -14.002 -19.277 -12.369 1.00 0.00 C ATOM 241 CD ARG A 32 -12.958 -19.924 -11.460 1.00 0.00 C ATOM 242 NE ARG A 32 -12.603 -21.249 -11.964 1.00 0.00 N ATOM 243 CZ ARG A 32 -11.660 -21.403 -12.889 1.00 0.00 C ATOM 244 NH1 ARG A 32 -11.033 -20.360 -13.362 1.00 0.00 N ATOM 245 NH2 ARG A 32 -11.360 -22.596 -13.322 1.00 0.00 N ATOM 0 H ARG A 32 -16.310 -17.927 -11.599 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.004 -19.172 -14.131 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.634 -20.162 -11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.151 -21.082 -12.673 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.637 -19.249 -13.396 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.175 -18.245 -12.064 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.069 -19.295 -11.410 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.348 -20.005 -10.446 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.087 -22.070 -11.600 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.266 -19.427 -13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.310 -20.478 -14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.849 -23.411 -12.951 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.637 -22.714 -14.031 1.00 0.00 H new ATOM 259 N GLU A 33 -18.455 -20.221 -12.206 1.00 0.00 N ATOM 260 CA GLU A 33 -19.663 -21.037 -12.196 1.00 0.00 C ATOM 261 C GLU A 33 -20.525 -20.723 -13.412 1.00 0.00 C ATOM 262 O GLU A 33 -21.149 -21.612 -13.990 1.00 0.00 O ATOM 263 CB GLU A 33 -20.462 -20.771 -10.915 1.00 0.00 C ATOM 264 CG GLU A 33 -21.605 -21.783 -10.802 1.00 0.00 C ATOM 265 CD GLU A 33 -21.042 -23.170 -10.508 1.00 0.00 C ATOM 266 OE1 GLU A 33 -19.852 -23.266 -10.254 1.00 0.00 O ATOM 267 OE2 GLU A 33 -21.810 -24.117 -10.539 1.00 0.00 O ATOM 0 H GLU A 33 -18.324 -19.641 -11.377 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.374 -22.087 -12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.809 -20.846 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.861 -19.757 -10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.291 -21.484 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.178 -21.802 -11.729 1.00 0.00 H new ATOM 274 N PHE A 34 -20.557 -19.454 -13.797 1.00 0.00 N ATOM 275 CA PHE A 34 -21.344 -19.032 -14.950 1.00 0.00 C ATOM 276 C PHE A 34 -20.561 -19.254 -16.238 1.00 0.00 C ATOM 277 O PHE A 34 -21.144 -19.340 -17.321 1.00 0.00 O ATOM 278 CB PHE A 34 -21.711 -17.552 -14.823 1.00 0.00 C ATOM 279 CG PHE A 34 -22.781 -17.385 -13.768 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.076 -17.861 -14.007 1.00 0.00 C ATOM 281 CD2 PHE A 34 -22.479 -16.757 -12.554 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.069 -17.710 -13.031 1.00 0.00 C ATOM 283 CE2 PHE A 34 -23.471 -16.605 -11.579 1.00 0.00 C ATOM 284 CZ PHE A 34 -24.765 -17.082 -11.818 1.00 0.00 C ATOM 0 H PHE A 34 -20.050 -18.702 -13.331 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.256 -19.628 -14.982 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -20.829 -16.970 -14.557 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.067 -17.171 -15.780 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.309 -18.345 -14.944 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -21.480 -16.390 -12.370 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -26.068 -18.078 -13.214 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -23.238 -16.120 -10.643 1.00 0.00 H new ATOM 0 HZ PHE A 34 -25.530 -16.965 -11.065 1.00 0.00 H new ATOM 294 N ASP A 35 -19.236 -19.346 -16.118 1.00 0.00 N ATOM 295 CA ASP A 35 -18.391 -19.556 -17.288 1.00 0.00 C ATOM 296 C ASP A 35 -18.324 -21.038 -17.638 1.00 0.00 C ATOM 297 O ASP A 35 -17.466 -21.766 -17.138 1.00 0.00 O ATOM 298 CB ASP A 35 -16.982 -19.031 -17.005 1.00 0.00 C ATOM 299 CG ASP A 35 -16.211 -18.881 -18.311 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.708 -19.340 -19.326 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.130 -18.317 -18.276 1.00 0.00 O ATOM 0 H ASP A 35 -18.732 -19.279 -15.234 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.820 -19.016 -18.132 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.039 -18.070 -16.494 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.457 -19.716 -16.339 1.00 0.00 H new ATOM 306 N LYS A 36 -19.236 -21.478 -18.497 1.00 0.00 N ATOM 307 CA LYS A 36 -19.274 -22.877 -18.909 1.00 0.00 C ATOM 308 C LYS A 36 -18.146 -23.178 -19.891 1.00 0.00 C ATOM 309 O LYS A 36 -17.593 -24.277 -19.903 1.00 0.00 O ATOM 310 CB LYS A 36 -20.624 -23.193 -19.557 1.00 0.00 C ATOM 311 CG LYS A 36 -20.788 -22.365 -20.833 1.00 0.00 C ATOM 312 CD LYS A 36 -22.200 -22.551 -21.384 1.00 0.00 C ATOM 313 CE LYS A 36 -22.375 -21.697 -22.640 1.00 0.00 C ATOM 314 NZ LYS A 36 -21.448 -22.180 -23.702 1.00 0.00 N ATOM 0 H LYS A 36 -19.955 -20.891 -18.920 1.00 0.00 H new ATOM 0 HA LYS A 36 -19.143 -23.502 -18.026 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -20.687 -24.256 -19.791 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -21.433 -22.971 -18.861 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.605 -21.312 -20.621 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.053 -22.673 -21.576 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -22.375 -23.601 -21.618 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -22.936 -22.265 -20.632 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -23.406 -21.752 -22.990 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.171 -20.651 -22.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -21.773 -21.838 -24.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.490 -21.820 -23.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.433 -23.220 -23.703 1.00 0.00 H new ATOM 328 N ASP A 37 -17.813 -22.192 -20.717 1.00 0.00 N ATOM 329 CA ASP A 37 -16.754 -22.358 -21.704 1.00 0.00 C ATOM 330 C ASP A 37 -15.385 -22.170 -21.059 1.00 0.00 C ATOM 331 O ASP A 37 -14.376 -22.631 -21.586 1.00 0.00 O ATOM 332 CB ASP A 37 -16.926 -21.335 -22.833 1.00 0.00 C ATOM 333 CG ASP A 37 -16.082 -21.742 -24.036 1.00 0.00 C ATOM 334 OD1 ASP A 37 -16.572 -22.507 -24.849 1.00 0.00 O ATOM 335 OD2 ASP A 37 -14.956 -21.281 -24.125 1.00 0.00 O ATOM 0 H ASP A 37 -18.259 -21.275 -20.723 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.820 -23.367 -22.110 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.976 -21.270 -23.120 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.628 -20.345 -22.487 1.00 0.00 H new ATOM 340 N LYS A 38 -15.358 -21.497 -19.916 1.00 0.00 N ATOM 341 CA LYS A 38 -14.108 -21.257 -19.212 1.00 0.00 C ATOM 342 C LYS A 38 -13.107 -20.543 -20.109 1.00 0.00 C ATOM 343 O LYS A 38 -11.915 -20.835 -20.088 1.00 0.00 O ATOM 344 CB LYS A 38 -13.530 -22.604 -18.714 1.00 0.00 C ATOM 345 CG LYS A 38 -13.276 -22.540 -17.209 1.00 0.00 C ATOM 346 CD LYS A 38 -14.607 -22.621 -16.457 1.00 0.00 C ATOM 347 CE LYS A 38 -14.336 -22.823 -14.969 1.00 0.00 C ATOM 348 NZ LYS A 38 -15.632 -22.937 -14.245 1.00 0.00 N ATOM 0 H LYS A 38 -16.184 -21.110 -19.459 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.304 -20.612 -18.355 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.225 -23.413 -18.940 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.601 -22.826 -19.239 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.625 -23.360 -16.905 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.760 -21.613 -16.957 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.182 -21.708 -16.613 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.207 -23.445 -16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.740 -23.722 -14.815 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.759 -21.986 -14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.452 -23.075 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.185 -22.067 -14.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.166 -23.749 -14.615 1.00 0.00 H new ATOM 362 N ASP A 39 -13.595 -19.587 -20.876 1.00 0.00 N ATOM 363 CA ASP A 39 -12.728 -18.824 -21.765 1.00 0.00 C ATOM 364 C ASP A 39 -12.271 -17.541 -21.088 1.00 0.00 C ATOM 365 O ASP A 39 -11.538 -16.749 -21.677 1.00 0.00 O ATOM 366 CB ASP A 39 -13.470 -18.497 -23.058 1.00 0.00 C ATOM 367 CG ASP A 39 -14.805 -17.841 -22.736 1.00 0.00 C ATOM 368 OD1 ASP A 39 -14.940 -17.328 -21.636 1.00 0.00 O ATOM 369 OD2 ASP A 39 -15.672 -17.856 -23.591 1.00 0.00 O ATOM 0 HA ASP A 39 -11.850 -19.425 -21.999 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.867 -17.831 -23.675 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.632 -19.407 -23.635 1.00 0.00 H new ATOM 374 N GLY A 40 -12.711 -17.339 -19.847 1.00 0.00 N ATOM 375 CA GLY A 40 -12.342 -16.146 -19.101 1.00 0.00 C ATOM 376 C GLY A 40 -13.126 -14.943 -19.599 1.00 0.00 C ATOM 377 O GLY A 40 -12.571 -13.856 -19.781 1.00 0.00 O ATOM 0 H GLY A 40 -13.320 -17.984 -19.343 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.536 -16.299 -18.039 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.273 -15.960 -19.207 1.00 0.00 H new ATOM 381 N TYR A 41 -14.421 -15.149 -19.820 1.00 0.00 N ATOM 382 CA TYR A 41 -15.282 -14.064 -20.299 1.00 0.00 C ATOM 383 C TYR A 41 -16.747 -14.472 -20.265 1.00 0.00 C ATOM 384 O TYR A 41 -17.073 -15.651 -20.360 1.00 0.00 O ATOM 385 CB TYR A 41 -14.879 -13.675 -21.742 1.00 0.00 C ATOM 386 CG TYR A 41 -14.161 -12.345 -21.747 1.00 0.00 C ATOM 387 CD1 TYR A 41 -14.894 -11.165 -21.578 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.776 -12.295 -21.915 1.00 0.00 C ATOM 389 CE1 TYR A 41 -14.238 -9.930 -21.578 1.00 0.00 C ATOM 390 CE2 TYR A 41 -12.119 -11.061 -21.914 1.00 0.00 C ATOM 391 CZ TYR A 41 -12.849 -9.878 -21.748 1.00 0.00 C ATOM 392 OH TYR A 41 -12.202 -8.661 -21.747 1.00 0.00 O ATOM 0 H TYR A 41 -14.895 -16.041 -19.679 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.151 -13.207 -19.639 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.235 -14.445 -22.167 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.767 -13.619 -22.372 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.965 -11.208 -21.448 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.213 -13.208 -22.045 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.802 -9.018 -21.447 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.047 -11.020 -22.041 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.241 -8.802 -21.875 1.00 0.00 H new ATOM 402 N ILE A 42 -17.623 -13.483 -20.139 1.00 0.00 N ATOM 403 CA ILE A 42 -19.063 -13.743 -20.111 1.00 0.00 C ATOM 404 C ILE A 42 -19.824 -12.601 -20.754 1.00 0.00 C ATOM 405 O ILE A 42 -19.227 -11.617 -21.164 1.00 0.00 O ATOM 406 CB ILE A 42 -19.527 -13.929 -18.670 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.173 -12.687 -17.850 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.837 -15.153 -18.065 1.00 0.00 C ATOM 409 CD1 ILE A 42 -19.765 -12.816 -16.446 1.00 0.00 C ATOM 0 H ILE A 42 -17.368 -12.499 -20.055 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.263 -14.654 -20.675 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.607 -14.075 -18.655 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.091 -12.574 -17.791 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.560 -11.793 -18.339 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.169 -15.286 -17.035 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.093 -16.039 -18.646 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.757 -15.007 -18.082 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.513 -11.931 -15.862 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.849 -12.908 -16.515 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.356 -13.701 -15.959 1.00 0.00 H new ATOM 421 N ASN A 43 -21.141 -12.737 -20.838 1.00 0.00 N ATOM 422 CA ASN A 43 -21.987 -11.697 -21.434 1.00 0.00 C ATOM 423 C ASN A 43 -23.089 -11.287 -20.467 1.00 0.00 C ATOM 424 O ASN A 43 -23.170 -11.797 -19.349 1.00 0.00 O ATOM 425 CB ASN A 43 -22.598 -12.206 -22.732 1.00 0.00 C ATOM 426 CG ASN A 43 -23.161 -13.611 -22.532 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.622 -14.241 -23.486 1.00 0.00 O ATOM 428 ND2 ASN A 43 -23.158 -14.141 -21.340 1.00 0.00 N ATOM 0 H ASN A 43 -21.651 -13.554 -20.503 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.369 -10.825 -21.647 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.390 -11.532 -23.059 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.843 -12.217 -23.518 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.537 -15.077 -21.197 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.776 -13.619 -20.551 1.00 0.00 H new ATOM 435 N CYS A 44 -23.921 -10.345 -20.898 1.00 0.00 N ATOM 436 CA CYS A 44 -25.005 -9.850 -20.060 1.00 0.00 C ATOM 437 C CYS A 44 -26.019 -10.955 -19.786 1.00 0.00 C ATOM 438 O CYS A 44 -26.857 -10.835 -18.894 1.00 0.00 O ATOM 439 CB CYS A 44 -25.701 -8.670 -20.743 1.00 0.00 C ATOM 440 SG CYS A 44 -24.453 -7.508 -21.336 1.00 0.00 S ATOM 0 H CYS A 44 -23.865 -9.911 -21.819 1.00 0.00 H new ATOM 0 HA CYS A 44 -24.582 -9.519 -19.112 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.310 -9.024 -21.575 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -26.374 -8.174 -20.043 1.00 0.00 H new ATOM 0 HG CYS A 44 -25.037 -6.504 -21.919 1.00 0.00 H new ATOM 446 N ARG A 45 -25.954 -12.019 -20.578 1.00 0.00 N ATOM 447 CA ARG A 45 -26.891 -13.125 -20.423 1.00 0.00 C ATOM 448 C ARG A 45 -26.777 -13.750 -19.043 1.00 0.00 C ATOM 449 O ARG A 45 -27.786 -13.993 -18.381 1.00 0.00 O ATOM 450 CB ARG A 45 -26.599 -14.194 -21.482 1.00 0.00 C ATOM 451 CG ARG A 45 -26.788 -13.604 -22.887 1.00 0.00 C ATOM 452 CD ARG A 45 -28.276 -13.550 -23.237 1.00 0.00 C ATOM 453 NE ARG A 45 -28.455 -13.174 -24.632 1.00 0.00 N ATOM 454 CZ ARG A 45 -29.542 -12.521 -25.034 1.00 0.00 C ATOM 455 NH1 ARG A 45 -30.472 -12.208 -24.172 1.00 0.00 N ATOM 456 NH2 ARG A 45 -29.679 -12.198 -26.288 1.00 0.00 N ATOM 0 H ARG A 45 -25.271 -12.139 -21.326 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.901 -12.735 -20.547 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -25.580 -14.563 -21.367 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -27.264 -15.046 -21.344 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.359 -12.603 -22.930 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -26.256 -14.211 -23.620 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -28.735 -14.522 -23.054 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -28.782 -12.832 -22.592 1.00 0.00 H new ATOM 0 HE ARG A 45 -27.735 -13.415 -25.313 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -30.365 -12.464 -23.191 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -31.305 -11.707 -24.480 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -28.953 -12.446 -26.961 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -30.512 -11.697 -26.598 1.00 0.00 H new ATOM 470 N ASP A 46 -25.553 -14.005 -18.611 1.00 0.00 N ATOM 471 CA ASP A 46 -25.326 -14.606 -17.301 1.00 0.00 C ATOM 472 C ASP A 46 -25.276 -13.540 -16.223 1.00 0.00 C ATOM 473 O ASP A 46 -25.513 -13.825 -15.049 1.00 0.00 O ATOM 474 CB ASP A 46 -24.006 -15.386 -17.317 1.00 0.00 C ATOM 475 CG ASP A 46 -24.126 -16.608 -18.224 1.00 0.00 C ATOM 476 OD1 ASP A 46 -25.243 -16.967 -18.556 1.00 0.00 O ATOM 477 OD2 ASP A 46 -23.097 -17.164 -18.576 1.00 0.00 O ATOM 0 H ASP A 46 -24.705 -13.808 -19.142 1.00 0.00 H new ATOM 0 HA ASP A 46 -26.151 -15.283 -17.080 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -23.199 -14.742 -17.667 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.748 -15.699 -16.305 1.00 0.00 H new ATOM 482 N LEU A 47 -24.963 -12.313 -16.614 1.00 0.00 N ATOM 483 CA LEU A 47 -24.877 -11.224 -15.654 1.00 0.00 C ATOM 484 C LEU A 47 -26.172 -11.127 -14.852 1.00 0.00 C ATOM 485 O LEU A 47 -26.144 -11.038 -13.625 1.00 0.00 O ATOM 486 CB LEU A 47 -24.641 -9.903 -16.396 1.00 0.00 C ATOM 487 CG LEU A 47 -24.389 -8.775 -15.388 1.00 0.00 C ATOM 488 CD1 LEU A 47 -23.052 -9.002 -14.665 1.00 0.00 C ATOM 489 CD2 LEU A 47 -24.363 -7.433 -16.121 1.00 0.00 C ATOM 0 H LEU A 47 -24.766 -12.049 -17.579 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.048 -11.418 -14.974 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.787 -10.000 -17.067 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.506 -9.663 -17.014 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.190 -8.769 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -22.883 -8.196 -13.952 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -23.082 -9.954 -14.136 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.242 -9.017 -15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.184 -6.631 -15.405 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.566 -7.440 -16.865 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -25.320 -7.270 -16.616 1.00 0.00 H new ATOM 501 N GLY A 48 -27.298 -11.149 -15.550 1.00 0.00 N ATOM 502 CA GLY A 48 -28.595 -11.070 -14.886 1.00 0.00 C ATOM 503 C GLY A 48 -28.741 -12.195 -13.868 1.00 0.00 C ATOM 504 O GLY A 48 -29.221 -11.974 -12.752 1.00 0.00 O ATOM 0 H GLY A 48 -27.343 -11.220 -16.567 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.698 -10.106 -14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.393 -11.134 -15.625 1.00 0.00 H new ATOM 508 N ASN A 49 -28.320 -13.401 -14.256 1.00 0.00 N ATOM 509 CA ASN A 49 -28.410 -14.546 -13.359 1.00 0.00 C ATOM 510 C ASN A 49 -27.462 -14.386 -12.173 1.00 0.00 C ATOM 511 O ASN A 49 -27.793 -14.746 -11.043 1.00 0.00 O ATOM 512 CB ASN A 49 -28.072 -15.825 -14.122 1.00 0.00 C ATOM 513 CG ASN A 49 -28.498 -17.045 -13.313 1.00 0.00 C ATOM 514 OD1 ASN A 49 -28.601 -18.146 -13.856 1.00 0.00 O ATOM 515 ND2 ASN A 49 -28.752 -16.918 -12.039 1.00 0.00 N ATOM 0 H ASN A 49 -27.920 -13.605 -15.172 1.00 0.00 H new ATOM 0 HA ASN A 49 -29.429 -14.606 -12.978 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.576 -15.825 -15.088 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -27.001 -15.867 -14.321 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -29.036 -17.731 -11.492 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -28.666 -16.006 -11.590 1.00 0.00 H new ATOM 522 N CYS A 50 -26.271 -13.868 -12.446 1.00 0.00 N ATOM 523 CA CYS A 50 -25.270 -13.686 -11.404 1.00 0.00 C ATOM 524 C CYS A 50 -25.759 -12.717 -10.332 1.00 0.00 C ATOM 525 O CYS A 50 -25.661 -12.998 -9.141 1.00 0.00 O ATOM 526 CB CYS A 50 -23.971 -13.154 -12.015 1.00 0.00 C ATOM 527 SG CYS A 50 -22.742 -12.913 -10.709 1.00 0.00 S ATOM 0 H CYS A 50 -25.976 -13.568 -13.375 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.090 -14.655 -10.939 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.593 -13.855 -12.759 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -24.158 -12.212 -12.531 1.00 0.00 H new ATOM 0 HG CYS A 50 -21.832 -12.079 -11.118 1.00 0.00 H new ATOM 533 N MET A 51 -26.280 -11.573 -10.762 1.00 0.00 N ATOM 534 CA MET A 51 -26.758 -10.566 -9.833 1.00 0.00 C ATOM 535 C MET A 51 -27.893 -11.118 -8.991 1.00 0.00 C ATOM 536 O MET A 51 -27.986 -10.831 -7.801 1.00 0.00 O ATOM 537 CB MET A 51 -27.239 -9.331 -10.604 1.00 0.00 C ATOM 538 CG MET A 51 -26.034 -8.537 -11.116 1.00 0.00 C ATOM 539 SD MET A 51 -26.606 -6.979 -11.838 1.00 0.00 S ATOM 540 CE MET A 51 -27.505 -7.678 -13.246 1.00 0.00 C ATOM 0 H MET A 51 -26.380 -11.324 -11.746 1.00 0.00 H new ATOM 0 HA MET A 51 -25.937 -10.283 -9.174 1.00 0.00 H new ATOM 0 HB2 MET A 51 -27.868 -9.635 -11.441 1.00 0.00 H new ATOM 0 HB3 MET A 51 -27.852 -8.703 -9.957 1.00 0.00 H new ATOM 0 HG2 MET A 51 -25.341 -8.339 -10.299 1.00 0.00 H new ATOM 0 HG3 MET A 51 -25.491 -9.118 -11.861 1.00 0.00 H new ATOM 0 HE1 MET A 51 -27.320 -7.072 -14.133 1.00 0.00 H new ATOM 0 HE2 MET A 51 -27.164 -8.697 -13.426 1.00 0.00 H new ATOM 0 HE3 MET A 51 -28.573 -7.686 -13.028 1.00 0.00 H new ATOM 550 N ARG A 52 -28.758 -11.907 -9.616 1.00 0.00 N ATOM 551 CA ARG A 52 -29.882 -12.490 -8.912 1.00 0.00 C ATOM 552 C ARG A 52 -29.413 -13.541 -7.907 1.00 0.00 C ATOM 553 O ARG A 52 -30.022 -13.719 -6.851 1.00 0.00 O ATOM 554 CB ARG A 52 -30.860 -13.123 -9.901 1.00 0.00 C ATOM 555 CG ARG A 52 -32.087 -13.655 -9.153 1.00 0.00 C ATOM 556 CD ARG A 52 -33.092 -14.220 -10.159 1.00 0.00 C ATOM 557 NE ARG A 52 -33.659 -13.146 -10.965 1.00 0.00 N ATOM 558 CZ ARG A 52 -34.512 -13.403 -11.950 1.00 0.00 C ATOM 559 NH1 ARG A 52 -34.854 -14.635 -12.212 1.00 0.00 N ATOM 560 NH2 ARG A 52 -35.008 -12.424 -12.656 1.00 0.00 N ATOM 0 H ARG A 52 -28.699 -12.154 -10.604 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.388 -11.691 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -31.167 -12.387 -10.644 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -30.371 -13.935 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -31.788 -14.430 -8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -32.547 -12.855 -8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -32.601 -14.948 -10.805 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -33.887 -14.747 -9.632 1.00 0.00 H new ATOM 0 HE ARG A 52 -33.396 -12.180 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -34.466 -15.400 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -35.509 -14.833 -12.968 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -34.741 -11.461 -12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -35.663 -12.622 -13.412 1.00 0.00 H new ATOM 574 N THR A 53 -28.347 -14.253 -8.259 1.00 0.00 N ATOM 575 CA THR A 53 -27.827 -15.303 -7.394 1.00 0.00 C ATOM 576 C THR A 53 -27.435 -14.741 -6.034 1.00 0.00 C ATOM 577 O THR A 53 -27.793 -15.301 -4.997 1.00 0.00 O ATOM 578 CB THR A 53 -26.603 -15.947 -8.045 1.00 0.00 C ATOM 579 OG1 THR A 53 -26.986 -16.563 -9.265 1.00 0.00 O ATOM 580 CG2 THR A 53 -26.010 -16.995 -7.103 1.00 0.00 C ATOM 0 H THR A 53 -27.831 -14.123 -9.129 1.00 0.00 H new ATOM 0 HA THR A 53 -28.609 -16.049 -7.253 1.00 0.00 H new ATOM 0 HB THR A 53 -25.854 -15.181 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.157 -15.873 -9.940 1.00 0.00 H new ATOM 0 HG21 THR A 53 -25.138 -17.452 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 53 -25.713 -16.518 -6.169 1.00 0.00 H new ATOM 0 HG23 THR A 53 -26.756 -17.763 -6.897 1.00 0.00 H new ATOM 588 N MET A 54 -26.702 -13.632 -6.040 1.00 0.00 N ATOM 589 CA MET A 54 -26.268 -13.012 -4.795 1.00 0.00 C ATOM 590 C MET A 54 -25.901 -11.552 -5.025 1.00 0.00 C ATOM 591 O MET A 54 -24.766 -11.142 -4.797 1.00 0.00 O ATOM 592 CB MET A 54 -25.057 -13.761 -4.233 1.00 0.00 C ATOM 593 CG MET A 54 -24.817 -13.328 -2.786 1.00 0.00 C ATOM 594 SD MET A 54 -23.363 -14.188 -2.133 1.00 0.00 S ATOM 595 CE MET A 54 -24.244 -15.482 -1.227 1.00 0.00 C ATOM 0 H MET A 54 -26.399 -13.149 -6.885 1.00 0.00 H new ATOM 0 HA MET A 54 -27.090 -13.061 -4.081 1.00 0.00 H new ATOM 0 HB2 MET A 54 -25.228 -14.837 -4.279 1.00 0.00 H new ATOM 0 HB3 MET A 54 -24.174 -13.553 -4.838 1.00 0.00 H new ATOM 0 HG2 MET A 54 -24.667 -12.249 -2.738 1.00 0.00 H new ATOM 0 HG3 MET A 54 -25.692 -13.556 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 54 -23.524 -16.138 -0.738 1.00 0.00 H new ATOM 0 HE2 MET A 54 -24.888 -15.026 -0.475 1.00 0.00 H new ATOM 0 HE3 MET A 54 -24.852 -16.063 -1.921 1.00 0.00 H new ATOM 605 N GLY A 55 -26.872 -10.768 -5.480 1.00 0.00 N ATOM 606 CA GLY A 55 -26.641 -9.349 -5.742 1.00 0.00 C ATOM 607 C GLY A 55 -27.912 -8.549 -5.509 1.00 0.00 C ATOM 608 O GLY A 55 -28.263 -8.239 -4.371 1.00 0.00 O ATOM 0 H GLY A 55 -27.821 -11.087 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.847 -8.978 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.303 -9.214 -6.769 1.00 0.00 H new ATOM 612 N TYR A 56 -28.604 -8.219 -6.593 1.00 0.00 N ATOM 613 CA TYR A 56 -29.848 -7.452 -6.499 1.00 0.00 C ATOM 614 C TYR A 56 -30.857 -7.947 -7.525 1.00 0.00 C ATOM 615 O TYR A 56 -30.522 -8.161 -8.686 1.00 0.00 O ATOM 616 CB TYR A 56 -29.553 -5.947 -6.727 1.00 0.00 C ATOM 617 CG TYR A 56 -29.780 -5.176 -5.444 1.00 0.00 C ATOM 618 CD1 TYR A 56 -31.063 -5.135 -4.882 1.00 0.00 C ATOM 619 CD2 TYR A 56 -28.719 -4.517 -4.821 1.00 0.00 C ATOM 620 CE1 TYR A 56 -31.285 -4.428 -3.700 1.00 0.00 C ATOM 621 CE2 TYR A 56 -28.938 -3.810 -3.636 1.00 0.00 C ATOM 622 CZ TYR A 56 -30.222 -3.764 -3.075 1.00 0.00 C ATOM 623 OH TYR A 56 -30.436 -3.067 -1.905 1.00 0.00 O ATOM 0 H TYR A 56 -28.330 -8.467 -7.544 1.00 0.00 H new ATOM 0 HA TYR A 56 -30.271 -7.589 -5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -28.524 -5.816 -7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -30.197 -5.557 -7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -31.880 -5.651 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -27.730 -4.554 -5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -32.274 -4.393 -3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -28.119 -3.299 -3.152 1.00 0.00 H new ATOM 0 HH TYR A 56 -29.594 -2.667 -1.604 1.00 0.00 H new ATOM 633 N MET A 57 -32.102 -8.101 -7.086 1.00 0.00 N ATOM 634 CA MET A 57 -33.165 -8.554 -7.977 1.00 0.00 C ATOM 635 C MET A 57 -34.501 -7.940 -7.572 1.00 0.00 C ATOM 636 O MET A 57 -35.424 -8.649 -7.176 1.00 0.00 O ATOM 637 CB MET A 57 -33.259 -10.078 -7.927 1.00 0.00 C ATOM 638 CG MET A 57 -33.223 -10.546 -6.469 1.00 0.00 C ATOM 639 SD MET A 57 -31.519 -10.495 -5.861 1.00 0.00 S ATOM 640 CE MET A 57 -31.861 -11.065 -4.177 1.00 0.00 C ATOM 0 H MET A 57 -32.399 -7.921 -6.127 1.00 0.00 H new ATOM 0 HA MET A 57 -32.931 -8.236 -8.993 1.00 0.00 H new ATOM 0 HB2 MET A 57 -34.180 -10.412 -8.404 1.00 0.00 H new ATOM 0 HB3 MET A 57 -32.433 -10.522 -8.483 1.00 0.00 H new ATOM 0 HG2 MET A 57 -33.859 -9.908 -5.855 1.00 0.00 H new ATOM 0 HG3 MET A 57 -33.618 -11.559 -6.391 1.00 0.00 H new ATOM 0 HE1 MET A 57 -30.930 -11.109 -3.612 1.00 0.00 H new ATOM 0 HE2 MET A 57 -32.548 -10.372 -3.691 1.00 0.00 H new ATOM 0 HE3 MET A 57 -32.311 -12.057 -4.213 1.00 0.00 H new ATOM 650 N PRO A 58 -34.616 -6.642 -7.671 1.00 0.00 N ATOM 651 CA PRO A 58 -35.863 -5.913 -7.309 1.00 0.00 C ATOM 652 C PRO A 58 -36.915 -6.003 -8.414 1.00 0.00 C ATOM 653 O PRO A 58 -37.716 -6.939 -8.452 1.00 0.00 O ATOM 654 CB PRO A 58 -35.390 -4.466 -7.105 1.00 0.00 C ATOM 655 CG PRO A 58 -34.183 -4.322 -7.987 1.00 0.00 C ATOM 656 CD PRO A 58 -33.567 -5.723 -8.141 1.00 0.00 C ATOM 0 HA PRO A 58 -36.347 -6.330 -6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -36.168 -3.754 -7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -35.141 -4.276 -6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -34.462 -3.915 -8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -33.464 -3.631 -7.547 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -33.297 -5.926 -9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -32.657 -5.824 -7.549 1.00 0.00 H new ATOM 664 N THR A 59 -36.913 -5.015 -9.308 1.00 0.00 N ATOM 665 CA THR A 59 -37.876 -4.984 -10.400 1.00 0.00 C ATOM 666 C THR A 59 -37.388 -5.847 -11.554 1.00 0.00 C ATOM 667 O THR A 59 -36.184 -6.027 -11.742 1.00 0.00 O ATOM 668 CB THR A 59 -38.080 -3.543 -10.878 1.00 0.00 C ATOM 669 OG1 THR A 59 -36.819 -2.907 -11.021 1.00 0.00 O ATOM 670 CG2 THR A 59 -38.922 -2.774 -9.857 1.00 0.00 C ATOM 0 H THR A 59 -36.259 -4.232 -9.296 1.00 0.00 H new ATOM 0 HA THR A 59 -38.827 -5.378 -10.041 1.00 0.00 H new ATOM 0 HB THR A 59 -38.595 -3.554 -11.838 1.00 0.00 H new ATOM 0 HG1 THR A 59 -36.950 -1.986 -11.328 1.00 0.00 H new ATOM 0 HG21 THR A 59 -39.065 -1.750 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 59 -39.892 -3.258 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 59 -38.409 -2.766 -8.895 1.00 0.00 H new ATOM 678 N GLU A 60 -38.328 -6.373 -12.326 1.00 0.00 N ATOM 679 CA GLU A 60 -37.985 -7.216 -13.466 1.00 0.00 C ATOM 680 C GLU A 60 -37.273 -6.402 -14.534 1.00 0.00 C ATOM 681 O GLU A 60 -36.552 -6.946 -15.366 1.00 0.00 O ATOM 682 CB GLU A 60 -39.246 -7.847 -14.056 1.00 0.00 C ATOM 683 CG GLU A 60 -40.243 -6.746 -14.423 1.00 0.00 C ATOM 684 CD GLU A 60 -41.503 -7.362 -15.021 1.00 0.00 C ATOM 685 OE1 GLU A 60 -41.493 -8.555 -15.273 1.00 0.00 O ATOM 686 OE2 GLU A 60 -42.462 -6.633 -15.210 1.00 0.00 O ATOM 0 H GLU A 60 -39.329 -6.233 -12.187 1.00 0.00 H new ATOM 0 HA GLU A 60 -37.318 -8.006 -13.120 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -38.993 -8.433 -14.940 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -39.693 -8.533 -13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -40.498 -6.165 -13.537 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -39.791 -6.058 -15.137 1.00 0.00 H new ATOM 693 N MET A 61 -37.478 -5.089 -14.508 1.00 0.00 N ATOM 694 CA MET A 61 -36.845 -4.211 -15.484 1.00 0.00 C ATOM 695 C MET A 61 -35.421 -3.883 -15.070 1.00 0.00 C ATOM 696 O MET A 61 -34.610 -3.477 -15.896 1.00 0.00 O ATOM 697 CB MET A 61 -37.673 -2.910 -15.628 1.00 0.00 C ATOM 698 CG MET A 61 -38.339 -2.858 -17.006 1.00 0.00 C ATOM 699 SD MET A 61 -39.478 -4.252 -17.177 1.00 0.00 S ATOM 700 CE MET A 61 -40.931 -3.446 -16.467 1.00 0.00 C ATOM 0 H MET A 61 -38.072 -4.614 -13.828 1.00 0.00 H new ATOM 0 HA MET A 61 -36.810 -4.724 -16.445 1.00 0.00 H new ATOM 0 HB2 MET A 61 -38.432 -2.865 -14.847 1.00 0.00 H new ATOM 0 HB3 MET A 61 -37.027 -2.042 -15.495 1.00 0.00 H new ATOM 0 HG2 MET A 61 -38.877 -1.918 -17.127 1.00 0.00 H new ATOM 0 HG3 MET A 61 -37.582 -2.895 -17.789 1.00 0.00 H new ATOM 0 HE1 MET A 61 -41.771 -4.140 -16.473 1.00 0.00 H new ATOM 0 HE2 MET A 61 -40.716 -3.146 -15.442 1.00 0.00 H new ATOM 0 HE3 MET A 61 -41.184 -2.565 -17.058 1.00 0.00 H new ATOM 710 N GLU A 62 -35.126 -4.060 -13.796 1.00 0.00 N ATOM 711 CA GLU A 62 -33.790 -3.770 -13.296 1.00 0.00 C ATOM 712 C GLU A 62 -32.784 -4.758 -13.864 1.00 0.00 C ATOM 713 O GLU A 62 -31.712 -4.376 -14.328 1.00 0.00 O ATOM 714 CB GLU A 62 -33.779 -3.848 -11.768 1.00 0.00 C ATOM 715 CG GLU A 62 -32.404 -3.426 -11.237 1.00 0.00 C ATOM 716 CD GLU A 62 -31.411 -4.575 -11.376 1.00 0.00 C ATOM 717 OE1 GLU A 62 -31.545 -5.540 -10.646 1.00 0.00 O ATOM 718 OE2 GLU A 62 -30.539 -4.475 -12.221 1.00 0.00 O ATOM 0 H GLU A 62 -35.783 -4.399 -13.093 1.00 0.00 H new ATOM 0 HA GLU A 62 -33.512 -2.764 -13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -34.553 -3.200 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -34.008 -4.863 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -32.045 -2.556 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -32.485 -3.130 -10.191 1.00 0.00 H new ATOM 725 N LEU A 63 -33.138 -6.034 -13.822 1.00 0.00 N ATOM 726 CA LEU A 63 -32.250 -7.072 -14.340 1.00 0.00 C ATOM 727 C LEU A 63 -32.294 -7.113 -15.859 1.00 0.00 C ATOM 728 O LEU A 63 -31.410 -7.694 -16.495 1.00 0.00 O ATOM 729 CB LEU A 63 -32.675 -8.440 -13.791 1.00 0.00 C ATOM 730 CG LEU A 63 -32.497 -8.459 -12.267 1.00 0.00 C ATOM 731 CD1 LEU A 63 -33.142 -9.727 -11.697 1.00 0.00 C ATOM 732 CD2 LEU A 63 -31.001 -8.437 -11.909 1.00 0.00 C ATOM 0 H LEU A 63 -34.020 -6.376 -13.441 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.234 -6.840 -14.021 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.715 -8.640 -14.049 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -32.077 -9.229 -14.247 1.00 0.00 H new ATOM 0 HG LEU A 63 -32.976 -7.578 -11.840 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -33.017 -9.744 -10.614 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -34.205 -9.736 -11.940 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -32.664 -10.605 -12.131 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.886 -8.451 -10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -30.512 -9.312 -12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -30.544 -7.533 -12.311 1.00 0.00 H new ATOM 744 N ILE A 64 -33.319 -6.490 -16.439 1.00 0.00 N ATOM 745 CA ILE A 64 -33.467 -6.465 -17.887 1.00 0.00 C ATOM 746 C ILE A 64 -32.958 -5.150 -18.455 1.00 0.00 C ATOM 747 O ILE A 64 -32.523 -5.092 -19.600 1.00 0.00 O ATOM 748 CB ILE A 64 -34.933 -6.654 -18.260 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.402 -8.037 -17.804 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.101 -6.526 -19.772 1.00 0.00 C ATOM 751 CD1 ILE A 64 -36.922 -8.143 -17.963 1.00 0.00 C ATOM 0 H ILE A 64 -34.054 -5.999 -15.929 1.00 0.00 H new ATOM 0 HA ILE A 64 -32.877 -7.278 -18.310 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.532 -5.888 -17.768 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -34.910 -8.811 -18.393 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.123 -8.202 -16.763 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -36.150 -6.662 -20.034 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.772 -5.537 -20.092 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.501 -7.287 -20.270 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.254 -9.129 -17.638 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.406 -7.378 -17.355 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.189 -7.997 -19.010 1.00 0.00 H new ATOM 763 N GLU A 65 -33.016 -4.096 -17.648 1.00 0.00 N ATOM 764 CA GLU A 65 -32.563 -2.784 -18.092 1.00 0.00 C ATOM 765 C GLU A 65 -31.048 -2.691 -18.022 1.00 0.00 C ATOM 766 O GLU A 65 -30.412 -2.069 -18.873 1.00 0.00 O ATOM 767 CB GLU A 65 -33.187 -1.690 -17.220 1.00 0.00 C ATOM 768 CG GLU A 65 -32.653 -0.315 -17.647 1.00 0.00 C ATOM 769 CD GLU A 65 -31.341 -0.015 -16.929 1.00 0.00 C ATOM 770 OE1 GLU A 65 -31.392 0.257 -15.741 1.00 0.00 O ATOM 771 OE2 GLU A 65 -30.309 -0.067 -17.575 1.00 0.00 O ATOM 0 H GLU A 65 -33.369 -4.124 -16.691 1.00 0.00 H new ATOM 0 HA GLU A 65 -32.877 -2.644 -19.126 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -34.273 -1.713 -17.313 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -32.953 -1.871 -16.171 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -32.499 -0.295 -18.726 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -33.387 0.457 -17.416 1.00 0.00 H new ATOM 778 N LEU A 66 -30.476 -3.311 -17.001 1.00 0.00 N ATOM 779 CA LEU A 66 -29.022 -3.294 -16.836 1.00 0.00 C ATOM 780 C LEU A 66 -28.345 -4.211 -17.839 1.00 0.00 C ATOM 781 O LEU A 66 -27.335 -3.850 -18.446 1.00 0.00 O ATOM 782 CB LEU A 66 -28.648 -3.714 -15.398 1.00 0.00 C ATOM 783 CG LEU A 66 -28.549 -2.487 -14.486 1.00 0.00 C ATOM 784 CD1 LEU A 66 -29.939 -1.896 -14.259 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.935 -2.899 -13.151 1.00 0.00 C ATOM 0 H LEU A 66 -30.983 -3.826 -16.282 1.00 0.00 H new ATOM 0 HA LEU A 66 -28.672 -2.278 -17.017 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -29.397 -4.404 -15.009 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -27.697 -4.246 -15.405 1.00 0.00 H new ATOM 0 HG LEU A 66 -27.918 -1.733 -14.958 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -29.862 -1.024 -13.610 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -30.369 -1.599 -15.216 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -30.579 -2.642 -13.789 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -27.863 -2.028 -12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -28.563 -3.654 -12.679 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -26.939 -3.309 -13.320 1.00 0.00 H new ATOM 797 N SER A 67 -28.894 -5.404 -17.996 1.00 0.00 N ATOM 798 CA SER A 67 -28.324 -6.374 -18.917 1.00 0.00 C ATOM 799 C SER A 67 -28.546 -5.934 -20.349 1.00 0.00 C ATOM 800 O SER A 67 -27.913 -6.452 -21.269 1.00 0.00 O ATOM 801 CB SER A 67 -28.964 -7.750 -18.684 1.00 0.00 C ATOM 802 OG SER A 67 -30.372 -7.652 -18.883 1.00 0.00 O ATOM 0 H SER A 67 -29.727 -5.723 -17.502 1.00 0.00 H new ATOM 0 HA SER A 67 -27.251 -6.443 -18.737 1.00 0.00 H new ATOM 0 HB2 SER A 67 -28.538 -8.483 -19.369 1.00 0.00 H new ATOM 0 HB3 SER A 67 -28.751 -8.097 -17.673 1.00 0.00 H new ATOM 0 HG SER A 67 -30.792 -7.286 -18.077 1.00 0.00 H new ATOM 808 N GLN A 68 -29.445 -4.979 -20.537 1.00 0.00 N ATOM 809 CA GLN A 68 -29.725 -4.455 -21.871 1.00 0.00 C ATOM 810 C GLN A 68 -28.948 -3.170 -22.117 1.00 0.00 C ATOM 811 O GLN A 68 -28.607 -2.856 -23.258 1.00 0.00 O ATOM 812 CB GLN A 68 -31.228 -4.196 -22.023 1.00 0.00 C ATOM 813 CG GLN A 68 -31.980 -5.528 -22.139 1.00 0.00 C ATOM 814 CD GLN A 68 -31.803 -6.102 -23.538 1.00 0.00 C ATOM 815 OE1 GLN A 68 -30.845 -6.834 -23.792 1.00 0.00 O ATOM 816 NE2 GLN A 68 -32.668 -5.806 -24.467 1.00 0.00 N ATOM 0 H GLN A 68 -29.992 -4.552 -19.789 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.411 -5.194 -22.608 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.597 -3.634 -21.165 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -31.413 -3.586 -22.907 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.605 -6.233 -21.397 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -33.039 -5.377 -21.929 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -33.460 -5.200 -24.252 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -32.553 -6.181 -25.409 1.00 0.00 H new ATOM 825 N GLN A 69 -28.643 -2.457 -21.043 1.00 0.00 N ATOM 826 CA GLN A 69 -27.873 -1.224 -21.152 1.00 0.00 C ATOM 827 C GLN A 69 -26.424 -1.563 -21.478 1.00 0.00 C ATOM 828 O GLN A 69 -25.775 -0.873 -22.267 1.00 0.00 O ATOM 829 CB GLN A 69 -27.950 -0.435 -19.847 1.00 0.00 C ATOM 830 CG GLN A 69 -27.154 0.864 -19.988 1.00 0.00 C ATOM 831 CD GLN A 69 -27.369 1.744 -18.764 1.00 0.00 C ATOM 832 OE1 GLN A 69 -27.512 1.236 -17.653 1.00 0.00 O ATOM 833 NE2 GLN A 69 -27.398 3.040 -18.901 1.00 0.00 N ATOM 0 H GLN A 69 -28.914 -2.707 -20.092 1.00 0.00 H new ATOM 0 HA GLN A 69 -28.289 -0.609 -21.950 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -28.989 -0.213 -19.605 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -27.552 -1.031 -19.026 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -26.094 0.639 -20.102 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -27.466 1.395 -20.887 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -27.279 3.458 -19.824 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -27.540 3.636 -18.085 1.00 0.00 H new ATOM 842 N ILE A 70 -25.926 -2.637 -20.864 1.00 0.00 N ATOM 843 CA ILE A 70 -24.559 -3.067 -21.102 1.00 0.00 C ATOM 844 C ILE A 70 -24.389 -3.446 -22.564 1.00 0.00 C ATOM 845 O ILE A 70 -23.374 -3.127 -23.166 1.00 0.00 O ATOM 846 CB ILE A 70 -24.217 -4.269 -20.218 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.152 -3.818 -18.755 1.00 0.00 C ATOM 848 CG2 ILE A 70 -22.853 -4.848 -20.632 1.00 0.00 C ATOM 849 CD1 ILE A 70 -24.047 -5.046 -17.849 1.00 0.00 C ATOM 0 H ILE A 70 -26.447 -3.216 -20.206 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.886 -2.246 -20.857 1.00 0.00 H new ATOM 0 HB ILE A 70 -24.985 -5.034 -20.336 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -23.293 -3.165 -18.602 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -25.041 -3.240 -18.501 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.614 -5.703 -20.000 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -22.894 -5.167 -21.674 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.083 -4.085 -20.516 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -24.001 -4.727 -16.808 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -24.920 -5.682 -17.995 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.145 -5.605 -18.098 1.00 0.00 H new ATOM 861 N ASN A 71 -25.385 -4.137 -23.116 1.00 0.00 N ATOM 862 CA ASN A 71 -25.305 -4.562 -24.511 1.00 0.00 C ATOM 863 C ASN A 71 -25.196 -3.354 -25.438 1.00 0.00 C ATOM 864 O ASN A 71 -24.423 -3.363 -26.397 1.00 0.00 O ATOM 865 CB ASN A 71 -26.553 -5.367 -24.867 1.00 0.00 C ATOM 866 CG ASN A 71 -26.487 -5.821 -26.318 1.00 0.00 C ATOM 867 OD1 ASN A 71 -25.481 -6.383 -26.751 1.00 0.00 O ATOM 868 ND2 ASN A 71 -27.509 -5.613 -27.104 1.00 0.00 N ATOM 0 H ASN A 71 -26.240 -4.410 -22.630 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.415 -5.179 -24.639 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.636 -6.233 -24.210 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.444 -4.760 -24.708 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -27.474 -5.916 -28.077 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -28.342 -5.147 -26.745 1.00 0.00 H new ATOM 875 N MET A 72 -25.979 -2.322 -25.150 1.00 0.00 N ATOM 876 CA MET A 72 -25.967 -1.115 -25.968 1.00 0.00 C ATOM 877 C MET A 72 -24.658 -0.354 -25.799 1.00 0.00 C ATOM 878 O MET A 72 -24.070 0.114 -26.774 1.00 0.00 O ATOM 879 CB MET A 72 -27.138 -0.212 -25.578 1.00 0.00 C ATOM 880 CG MET A 72 -28.454 -0.882 -25.969 1.00 0.00 C ATOM 881 SD MET A 72 -29.839 0.179 -25.486 1.00 0.00 S ATOM 882 CE MET A 72 -31.161 -1.015 -25.801 1.00 0.00 C ATOM 0 H MET A 72 -26.626 -2.296 -24.362 1.00 0.00 H new ATOM 0 HA MET A 72 -26.063 -1.411 -27.013 1.00 0.00 H new ATOM 0 HB2 MET A 72 -27.121 -0.020 -24.505 1.00 0.00 H new ATOM 0 HB3 MET A 72 -27.048 0.753 -26.076 1.00 0.00 H new ATOM 0 HG2 MET A 72 -28.477 -1.062 -27.044 1.00 0.00 H new ATOM 0 HG3 MET A 72 -28.539 -1.853 -25.481 1.00 0.00 H new ATOM 0 HE1 MET A 72 -32.124 -0.562 -25.565 1.00 0.00 H new ATOM 0 HE2 MET A 72 -31.145 -1.307 -26.851 1.00 0.00 H new ATOM 0 HE3 MET A 72 -31.012 -1.896 -25.177 1.00 0.00 H new ATOM 892 N ASN A 73 -24.209 -0.230 -24.554 1.00 0.00 N ATOM 893 CA ASN A 73 -22.968 0.483 -24.266 1.00 0.00 C ATOM 894 C ASN A 73 -21.767 -0.445 -24.405 1.00 0.00 C ATOM 895 O ASN A 73 -20.624 0.006 -24.458 1.00 0.00 O ATOM 896 CB ASN A 73 -23.015 1.054 -22.845 1.00 0.00 C ATOM 897 CG ASN A 73 -22.043 2.222 -22.715 1.00 0.00 C ATOM 898 OD1 ASN A 73 -21.957 3.061 -23.610 1.00 0.00 O ATOM 899 ND2 ASN A 73 -21.295 2.321 -21.651 1.00 0.00 N ATOM 0 H ASN A 73 -24.681 -0.610 -23.734 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.864 1.297 -24.984 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.027 1.386 -22.612 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -22.760 0.277 -22.124 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -20.637 3.095 -21.560 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -21.368 1.624 -20.910 1.00 0.00 H new ATOM 906 N LEU A 74 -22.031 -1.745 -24.441 1.00 0.00 N ATOM 907 CA LEU A 74 -20.969 -2.724 -24.549 1.00 0.00 C ATOM 908 C LEU A 74 -21.541 -4.073 -24.957 1.00 0.00 C ATOM 909 O LEU A 74 -22.113 -4.782 -24.137 1.00 0.00 O ATOM 910 CB LEU A 74 -20.242 -2.862 -23.199 1.00 0.00 C ATOM 911 CG LEU A 74 -18.791 -3.292 -23.434 1.00 0.00 C ATOM 912 CD1 LEU A 74 -18.065 -3.398 -22.095 1.00 0.00 C ATOM 913 CD2 LEU A 74 -18.765 -4.649 -24.141 1.00 0.00 C ATOM 0 H LEU A 74 -22.970 -2.140 -24.397 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.261 -2.390 -25.308 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.268 -1.913 -22.663 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.752 -3.595 -22.574 1.00 0.00 H new ATOM 0 HG LEU A 74 -18.292 -2.551 -24.058 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -17.033 -3.704 -22.264 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -18.079 -2.429 -21.596 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -18.564 -4.137 -21.468 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -17.732 -4.953 -24.307 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -19.267 -5.392 -23.521 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -19.278 -4.570 -25.099 1.00 0.00 H new ATOM 925 N GLY A 75 -21.371 -4.421 -26.224 1.00 0.00 N ATOM 926 CA GLY A 75 -21.861 -5.695 -26.755 1.00 0.00 C ATOM 927 C GLY A 75 -21.797 -6.778 -25.693 1.00 0.00 C ATOM 928 O GLY A 75 -20.969 -6.704 -24.812 1.00 0.00 O ATOM 0 H GLY A 75 -20.895 -3.838 -26.912 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -22.888 -5.579 -27.102 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.264 -5.989 -27.618 1.00 0.00 H new ATOM 932 N GLY A 76 -22.689 -7.755 -25.772 1.00 0.00 N ATOM 933 CA GLY A 76 -22.744 -8.838 -24.807 1.00 0.00 C ATOM 934 C GLY A 76 -21.355 -9.363 -24.487 1.00 0.00 C ATOM 935 O GLY A 76 -20.977 -10.456 -24.900 1.00 0.00 O ATOM 0 H GLY A 76 -23.393 -7.817 -26.507 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.223 -8.489 -23.892 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -23.359 -9.647 -25.200 1.00 0.00 H new ATOM 939 N HIS A 77 -20.598 -8.573 -23.752 1.00 0.00 N ATOM 940 CA HIS A 77 -19.242 -8.953 -23.367 1.00 0.00 C ATOM 941 C HIS A 77 -18.842 -8.259 -22.071 1.00 0.00 C ATOM 942 O HIS A 77 -18.680 -7.041 -22.031 1.00 0.00 O ATOM 943 CB HIS A 77 -18.255 -8.570 -24.475 1.00 0.00 C ATOM 944 CG HIS A 77 -18.553 -9.377 -25.709 1.00 0.00 C ATOM 945 ND1 HIS A 77 -19.476 -8.964 -26.656 1.00 0.00 N ATOM 946 CD2 HIS A 77 -18.064 -10.577 -26.160 1.00 0.00 C ATOM 947 CE1 HIS A 77 -19.511 -9.899 -27.623 1.00 0.00 C ATOM 948 NE2 HIS A 77 -18.670 -10.906 -27.370 1.00 0.00 N ATOM 0 H HIS A 77 -20.894 -7.661 -23.406 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.217 -10.032 -23.215 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -18.333 -7.505 -24.695 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.232 -8.753 -24.146 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -17.322 -11.176 -25.653 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -20.142 -9.842 -28.497 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -18.507 -11.736 -27.940 1.00 0.00 H new ATOM 956 N VAL A 78 -18.676 -9.048 -21.016 1.00 0.00 N ATOM 957 CA VAL A 78 -18.284 -8.503 -19.712 1.00 0.00 C ATOM 958 C VAL A 78 -17.171 -9.345 -19.097 1.00 0.00 C ATOM 959 O VAL A 78 -17.259 -10.569 -19.053 1.00 0.00 O ATOM 960 CB VAL A 78 -19.499 -8.483 -18.779 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.138 -7.764 -17.480 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.654 -7.750 -19.469 1.00 0.00 C ATOM 0 H VAL A 78 -18.804 -10.060 -21.032 1.00 0.00 H new ATOM 0 HA VAL A 78 -17.915 -7.487 -19.849 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.800 -9.505 -18.550 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.004 -7.751 -16.818 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.316 -8.287 -16.991 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -18.836 -6.740 -17.702 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.521 -7.733 -18.808 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.352 -6.728 -19.697 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.912 -8.267 -20.393 1.00 0.00 H new ATOM 972 N ASP A 79 -16.131 -8.673 -18.613 1.00 0.00 N ATOM 973 CA ASP A 79 -14.997 -9.355 -17.979 1.00 0.00 C ATOM 974 C ASP A 79 -15.167 -9.393 -16.473 1.00 0.00 C ATOM 975 O ASP A 79 -15.864 -8.564 -15.894 1.00 0.00 O ATOM 976 CB ASP A 79 -13.700 -8.642 -18.342 1.00 0.00 C ATOM 977 CG ASP A 79 -12.514 -9.416 -17.781 1.00 0.00 C ATOM 978 OD1 ASP A 79 -12.366 -9.440 -16.571 1.00 0.00 O ATOM 979 OD2 ASP A 79 -11.772 -9.978 -18.570 1.00 0.00 O ATOM 0 H ASP A 79 -16.046 -7.657 -18.645 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.959 -10.381 -18.344 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.611 -8.557 -19.425 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.707 -7.628 -17.942 1.00 0.00 H new ATOM 984 N PHE A 80 -14.528 -10.373 -15.840 1.00 0.00 N ATOM 985 CA PHE A 80 -14.615 -10.510 -14.395 1.00 0.00 C ATOM 986 C PHE A 80 -14.446 -9.149 -13.728 1.00 0.00 C ATOM 987 O PHE A 80 -14.978 -8.911 -12.643 1.00 0.00 O ATOM 988 CB PHE A 80 -13.525 -11.468 -13.893 1.00 0.00 C ATOM 989 CG PHE A 80 -13.503 -11.462 -12.380 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.607 -11.942 -11.667 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.386 -10.975 -11.692 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.595 -11.936 -10.268 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.373 -10.969 -10.294 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.477 -11.450 -9.581 1.00 0.00 C ATOM 0 H PHE A 80 -13.951 -11.076 -16.302 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.595 -10.914 -14.140 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.715 -12.476 -14.260 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.553 -11.165 -14.282 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.470 -12.318 -12.197 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.533 -10.604 -12.241 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.448 -12.306 -9.719 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.510 -10.593 -9.764 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.466 -11.446 -8.501 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.698 -8.266 -14.377 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.461 -6.936 -13.825 1.00 0.00 C ATOM 1006 C ASP A 81 -14.699 -6.070 -13.987 1.00 0.00 C ATOM 1007 O ASP A 81 -15.156 -5.440 -13.033 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.271 -6.280 -14.533 1.00 0.00 C ATOM 1009 CG ASP A 81 -12.439 -6.395 -16.043 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -13.291 -5.707 -16.579 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -11.710 -7.168 -16.642 1.00 0.00 O ATOM 0 H ASP A 81 -13.249 -8.442 -15.276 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.236 -7.033 -12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.198 -5.231 -14.245 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.343 -6.760 -14.224 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.245 -6.055 -15.198 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.437 -5.275 -15.475 1.00 0.00 C ATOM 1018 C ASP A 82 -17.610 -5.816 -14.672 1.00 0.00 C ATOM 1019 O ASP A 82 -18.404 -5.055 -14.134 1.00 0.00 O ATOM 1020 CB ASP A 82 -16.761 -5.314 -16.966 1.00 0.00 C ATOM 1021 CG ASP A 82 -15.731 -4.508 -17.749 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -14.934 -3.834 -17.119 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -15.757 -4.578 -18.966 1.00 0.00 O ATOM 0 H ASP A 82 -14.880 -6.573 -15.998 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.254 -4.240 -15.184 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.769 -6.346 -17.317 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.758 -4.910 -17.140 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.698 -7.134 -14.577 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.770 -7.763 -13.813 1.00 0.00 C ATOM 1030 C PHE A 83 -18.696 -7.320 -12.352 1.00 0.00 C ATOM 1031 O PHE A 83 -19.706 -6.948 -11.753 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.642 -9.296 -13.913 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.194 -9.943 -12.656 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.521 -9.715 -12.280 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.368 -10.744 -11.862 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.026 -10.297 -11.113 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -18.873 -11.327 -10.698 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.200 -11.108 -10.323 1.00 0.00 C ATOM 0 H PHE A 83 -17.047 -7.786 -15.015 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.734 -7.459 -14.222 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.183 -9.659 -14.787 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.597 -9.575 -14.047 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.156 -9.090 -12.890 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.340 -10.912 -12.149 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.051 -10.122 -10.821 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.236 -11.949 -10.086 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.590 -11.563 -9.425 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.499 -7.381 -11.786 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.303 -6.994 -10.399 1.00 0.00 C ATOM 1050 C VAL A 84 -17.552 -5.499 -10.233 1.00 0.00 C ATOM 1051 O VAL A 84 -18.177 -5.066 -9.267 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.879 -7.343 -9.952 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.601 -6.708 -8.580 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.738 -8.867 -9.840 1.00 0.00 C ATOM 0 H VAL A 84 -16.654 -7.693 -12.264 1.00 0.00 H new ATOM 0 HA VAL A 84 -18.012 -7.541 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.167 -6.961 -10.683 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.588 -6.956 -8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.703 -5.625 -8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.314 -7.091 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.726 -9.116 -9.522 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.452 -9.246 -9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.936 -9.323 -10.810 1.00 0.00 H new ATOM 1064 N GLU A 85 -17.039 -4.718 -11.179 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.197 -3.271 -11.124 1.00 0.00 C ATOM 1066 C GLU A 85 -18.665 -2.896 -11.220 1.00 0.00 C ATOM 1067 O GLU A 85 -19.162 -2.074 -10.450 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.417 -2.618 -12.268 1.00 0.00 C ATOM 1069 CG GLU A 85 -16.496 -1.095 -12.135 1.00 0.00 C ATOM 1070 CD GLU A 85 -15.688 -0.433 -13.245 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -15.281 -1.136 -14.156 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -15.493 0.768 -13.173 1.00 0.00 O ATOM 0 H GLU A 85 -16.515 -5.060 -11.985 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.805 -2.912 -10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.377 -2.942 -12.245 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.827 -2.932 -13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.535 -0.770 -12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.114 -0.786 -11.162 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.356 -3.500 -12.170 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.768 -3.218 -12.355 1.00 0.00 C ATOM 1081 C LEU A 86 -21.564 -3.642 -11.124 1.00 0.00 C ATOM 1082 O LEU A 86 -22.510 -2.969 -10.711 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.299 -3.961 -13.605 1.00 0.00 C ATOM 1084 CG LEU A 86 -22.412 -3.139 -14.273 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -23.518 -2.839 -13.250 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -21.821 -1.811 -14.819 1.00 0.00 C ATOM 0 H LEU A 86 -18.967 -4.183 -12.820 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.890 -2.144 -12.498 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.486 -4.128 -14.311 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.681 -4.941 -13.320 1.00 0.00 H new ATOM 0 HG LEU A 86 -22.837 -3.708 -15.100 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.306 -2.256 -13.727 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.934 -3.776 -12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.100 -2.272 -12.418 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -22.611 -1.229 -15.293 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -21.392 -1.239 -13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -21.045 -2.032 -15.551 1.00 0.00 H new ATOM 1098 N MET A 87 -21.185 -4.771 -10.556 1.00 0.00 N ATOM 1099 CA MET A 87 -21.883 -5.289 -9.388 1.00 0.00 C ATOM 1100 C MET A 87 -21.911 -4.240 -8.285 1.00 0.00 C ATOM 1101 O MET A 87 -22.942 -4.025 -7.648 1.00 0.00 O ATOM 1102 CB MET A 87 -21.176 -6.549 -8.883 1.00 0.00 C ATOM 1103 CG MET A 87 -21.952 -7.131 -7.700 1.00 0.00 C ATOM 1104 SD MET A 87 -21.193 -8.691 -7.190 1.00 0.00 S ATOM 1105 CE MET A 87 -22.419 -9.140 -5.938 1.00 0.00 C ATOM 0 H MET A 87 -20.406 -5.345 -10.878 1.00 0.00 H new ATOM 0 HA MET A 87 -22.907 -5.535 -9.668 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.107 -7.285 -9.684 1.00 0.00 H new ATOM 0 HB3 MET A 87 -20.156 -6.310 -8.580 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.952 -6.426 -6.869 1.00 0.00 H new ATOM 0 HG3 MET A 87 -22.993 -7.295 -7.979 1.00 0.00 H new ATOM 0 HE1 MET A 87 -22.143 -10.092 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 87 -22.454 -8.368 -5.170 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.399 -9.232 -6.405 1.00 0.00 H new ATOM 1115 N GLY A 88 -20.779 -3.580 -8.073 1.00 0.00 N ATOM 1116 CA GLY A 88 -20.692 -2.545 -7.052 1.00 0.00 C ATOM 1117 C GLY A 88 -20.812 -3.149 -5.653 1.00 0.00 C ATOM 1118 O GLY A 88 -21.906 -3.213 -5.090 1.00 0.00 O ATOM 0 H GLY A 88 -19.915 -3.742 -8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.743 -2.016 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -21.483 -1.810 -7.205 1.00 0.00 H new ATOM 1122 N PRO A 89 -19.719 -3.587 -5.091 1.00 0.00 N ATOM 1123 CA PRO A 89 -19.702 -4.196 -3.728 1.00 0.00 C ATOM 1124 C PRO A 89 -20.313 -3.267 -2.681 1.00 0.00 C ATOM 1125 O PRO A 89 -20.153 -2.049 -2.746 1.00 0.00 O ATOM 1126 CB PRO A 89 -18.204 -4.438 -3.447 1.00 0.00 C ATOM 1127 CG PRO A 89 -17.546 -4.464 -4.792 1.00 0.00 C ATOM 1128 CD PRO A 89 -18.378 -3.558 -5.694 1.00 0.00 C ATOM 0 HA PRO A 89 -20.296 -5.109 -3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -17.789 -3.647 -2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -18.051 -5.378 -2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -16.517 -4.110 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -17.510 -5.479 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -17.975 -2.545 -5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.394 -3.924 -6.721 1.00 0.00 H new ATOM 1136 N LYS A 90 -21.009 -3.857 -1.716 1.00 0.00 N ATOM 1137 CA LYS A 90 -21.640 -3.079 -0.657 1.00 0.00 C ATOM 1138 C LYS A 90 -20.586 -2.454 0.246 1.00 0.00 C ATOM 1139 O LYS A 90 -20.907 -1.682 1.151 1.00 0.00 O ATOM 1140 CB LYS A 90 -22.562 -3.975 0.168 1.00 0.00 C ATOM 1141 CG LYS A 90 -23.742 -4.428 -0.695 1.00 0.00 C ATOM 1142 CD LYS A 90 -24.653 -5.344 0.123 1.00 0.00 C ATOM 1143 CE LYS A 90 -25.897 -5.695 -0.697 1.00 0.00 C ATOM 1144 NZ LYS A 90 -25.537 -6.683 -1.751 1.00 0.00 N ATOM 0 H LYS A 90 -21.150 -4.865 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 90 -22.226 -2.282 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -22.012 -4.842 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -22.924 -3.435 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -24.302 -3.562 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -23.379 -4.954 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -24.119 -6.253 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -24.944 -4.851 1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -26.669 -6.106 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -26.310 -4.795 -1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -26.399 -6.997 -2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -24.891 -6.240 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -25.069 -7.502 -1.314 1.00 0.00 H new ATOM 1158 N LEU A 91 -19.327 -2.796 -0.003 1.00 0.00 N ATOM 1159 CA LEU A 91 -18.238 -2.265 0.797 1.00 0.00 C ATOM 1160 C LEU A 91 -18.006 -0.792 0.468 1.00 0.00 C ATOM 1161 O LEU A 91 -17.222 -0.526 -0.427 1.00 0.00 O ATOM 1162 CB LEU A 91 -16.955 -3.062 0.530 1.00 0.00 C ATOM 1163 CG LEU A 91 -15.840 -2.589 1.478 1.00 0.00 C ATOM 1164 CD1 LEU A 91 -16.216 -2.907 2.938 1.00 0.00 C ATOM 1165 CD2 LEU A 91 -14.534 -3.296 1.114 1.00 0.00 C ATOM 0 H LEU A 91 -19.040 -3.433 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 91 -18.505 -2.354 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -17.141 -4.126 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.644 -2.931 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.713 -1.511 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.420 -2.568 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -17.144 -2.396 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -16.351 -3.983 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.741 -2.963 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -14.664 -4.374 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -14.265 -3.056 0.086 1.00 0.00 H new TER 1177 LEU A 91 HETATM 1178 CA CA A 301 -15.241 -19.905 -21.675 1.00 0.00 CA