USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 676 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 68 MET CE :methyl -123:sc= -1.76 (180deg=-0.469) USER MOD Set 1.2: A 72 GLN : amide:sc= -6.99! C(o=-8.8!,f=-18!) USER MOD Set 2.1: A 7 SER OG : rot 66:sc= 0.0539 USER MOD Set 2.2: A 56 GLN : amide:sc= -3.77! C(o=-3.7!,f=-3.3!) USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= -1.97 (180deg=-2.22) USER MOD Single : A 6 SER OG : rot 180:sc= -2.42 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -152:sc= 0.965 USER MOD Single : A 21 MET CE :methyl 159:sc= -8.71! (180deg=-11!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -67:sc= 0.691 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -5.01! C(o=-5!,f=-4.9!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 80:sc= -1.17 USER MOD Single : A 74 THR OG1 : rot -69:sc= 0.0118 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 56:sc= 1.12 USER MOD Single : A 83 MET CE :methyl 176:sc= -6.33! (180deg=-6.48!) USER MOD Single : A 89 ASN : amide:sc= -0.394 K(o=-0.39,f=-3.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 7.859 -0.351 0.779 1.00 0.00 N ATOM 66 CA LYS A 5 6.490 -0.839 0.805 1.00 0.00 C ATOM 67 C LYS A 5 6.130 -1.410 -0.568 1.00 0.00 C ATOM 68 O LYS A 5 6.891 -1.266 -1.523 1.00 0.00 O ATOM 69 CB LYS A 5 5.539 0.261 1.283 1.00 0.00 C ATOM 70 CG LYS A 5 5.626 0.441 2.800 1.00 0.00 C ATOM 71 CD LYS A 5 4.697 -0.538 3.522 1.00 0.00 C ATOM 72 CE LYS A 5 4.355 -0.035 4.926 1.00 0.00 C ATOM 73 NZ LYS A 5 4.081 -1.173 5.831 1.00 0.00 N ATOM 0 HA LYS A 5 6.388 -1.652 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.785 1.200 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.516 0.010 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.653 0.284 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.359 1.464 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.781 -0.668 2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.174 -1.516 3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.181 0.558 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.485 0.620 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.493 -0.851 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.578 -1.919 5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.979 -1.551 6.196 1.00 0.00 H new ATOM 87 N SER A 6 4.969 -2.046 -0.622 1.00 0.00 N ATOM 88 CA SER A 6 4.499 -2.640 -1.862 1.00 0.00 C ATOM 89 C SER A 6 2.972 -2.739 -1.849 1.00 0.00 C ATOM 90 O SER A 6 2.345 -2.582 -0.803 1.00 0.00 O ATOM 91 CB SER A 6 5.118 -4.022 -2.081 1.00 0.00 C ATOM 92 OG SER A 6 4.589 -4.667 -3.236 1.00 0.00 O ATOM 0 H SER A 6 4.340 -2.163 0.173 1.00 0.00 H new ATOM 0 HA SER A 6 4.809 -1.998 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.199 -3.923 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.937 -4.643 -1.204 1.00 0.00 H new ATOM 0 HG SER A 6 5.010 -5.545 -3.342 1.00 0.00 H new ATOM 98 N SER A 7 2.418 -2.997 -3.025 1.00 0.00 N ATOM 99 CA SER A 7 0.976 -3.119 -3.161 1.00 0.00 C ATOM 100 C SER A 7 0.607 -4.548 -3.567 1.00 0.00 C ATOM 101 O SER A 7 1.179 -5.097 -4.508 1.00 0.00 O ATOM 102 CB SER A 7 0.435 -2.120 -4.186 1.00 0.00 C ATOM 103 OG SER A 7 -0.595 -2.688 -4.992 1.00 0.00 O ATOM 0 H SER A 7 2.941 -3.125 -3.891 1.00 0.00 H new ATOM 0 HA SER A 7 0.521 -2.894 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.048 -1.243 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.249 -1.779 -4.825 1.00 0.00 H new ATOM 0 HG SER A 7 -1.374 -2.890 -4.433 1.00 0.00 H new ATOM 109 N ILE A 8 -0.344 -5.109 -2.836 1.00 0.00 N ATOM 110 CA ILE A 8 -0.795 -6.463 -3.107 1.00 0.00 C ATOM 111 C ILE A 8 -2.321 -6.518 -2.999 1.00 0.00 C ATOM 112 O ILE A 8 -2.883 -6.234 -1.942 1.00 0.00 O ATOM 113 CB ILE A 8 -0.078 -7.460 -2.194 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.414 -7.528 -2.523 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.742 -8.836 -2.257 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.252 -7.660 -1.250 1.00 0.00 C ATOM 0 H ILE A 8 -0.815 -4.651 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.535 -6.755 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.166 -7.107 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.607 -8.377 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.711 -6.631 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.213 -9.526 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.781 -8.754 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.706 -9.211 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.309 -7.706 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.076 -6.798 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.970 -8.570 -0.721 1.00 0.00 H new ATOM 128 N LEU A 9 -2.948 -6.886 -4.107 1.00 0.00 N ATOM 129 CA LEU A 9 -4.397 -6.984 -4.149 1.00 0.00 C ATOM 130 C LEU A 9 -4.806 -8.457 -4.121 1.00 0.00 C ATOM 131 O LEU A 9 -4.316 -9.257 -4.917 1.00 0.00 O ATOM 132 CB LEU A 9 -4.949 -6.214 -5.352 1.00 0.00 C ATOM 133 CG LEU A 9 -6.456 -5.949 -5.343 1.00 0.00 C ATOM 134 CD1 LEU A 9 -6.821 -4.899 -4.293 1.00 0.00 C ATOM 135 CD2 LEU A 9 -6.953 -5.562 -6.737 1.00 0.00 C ATOM 0 H LEU A 9 -2.479 -7.120 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.837 -6.515 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.432 -5.256 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.703 -6.768 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.964 -6.873 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.898 -4.729 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.522 -5.252 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.304 -3.966 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.027 -5.379 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.441 -4.658 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.745 -6.373 -7.435 1.00 0.00 H new ATOM 147 N LEU A 10 -5.701 -8.771 -3.196 1.00 0.00 N ATOM 148 CA LEU A 10 -6.182 -10.136 -3.053 1.00 0.00 C ATOM 149 C LEU A 10 -7.701 -10.157 -3.237 1.00 0.00 C ATOM 150 O LEU A 10 -8.388 -9.206 -2.871 1.00 0.00 O ATOM 151 CB LEU A 10 -5.716 -10.731 -1.723 1.00 0.00 C ATOM 152 CG LEU A 10 -4.223 -11.053 -1.619 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.689 -10.729 -0.223 1.00 0.00 C ATOM 154 CD2 LEU A 10 -3.946 -12.505 -2.016 1.00 0.00 C ATOM 0 H LEU A 10 -6.106 -8.105 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.757 -10.774 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.974 -10.034 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.279 -11.647 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.687 -10.419 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.626 -10.967 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.833 -9.669 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.226 -11.320 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.878 -12.707 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.495 -13.174 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.268 -12.669 -3.044 1.00 0.00 H new ATOM 166 N ASP A 11 -8.179 -11.254 -3.806 1.00 0.00 N ATOM 167 CA ASP A 11 -9.604 -11.413 -4.044 1.00 0.00 C ATOM 168 C ASP A 11 -10.056 -12.777 -3.516 1.00 0.00 C ATOM 169 O ASP A 11 -9.775 -13.806 -4.127 1.00 0.00 O ATOM 170 CB ASP A 11 -9.922 -11.356 -5.540 1.00 0.00 C ATOM 171 CG ASP A 11 -11.029 -10.374 -5.929 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.961 -10.228 -5.049 1.00 0.00 O ATOM 173 OD2 ASP A 11 -11.002 -9.779 -7.016 1.00 0.00 O ATOM 0 H ASP A 11 -7.605 -12.041 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.124 -10.602 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.013 -11.088 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.208 -12.353 -5.874 1.00 0.00 H new ATOM 178 N VAL A 12 -10.749 -12.738 -2.388 1.00 0.00 N ATOM 179 CA VAL A 12 -11.242 -13.957 -1.771 1.00 0.00 C ATOM 180 C VAL A 12 -12.666 -14.230 -2.259 1.00 0.00 C ATOM 181 O VAL A 12 -13.424 -13.299 -2.528 1.00 0.00 O ATOM 182 CB VAL A 12 -11.142 -13.850 -0.248 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.439 -15.196 0.417 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.772 -13.319 0.176 1.00 0.00 C ATOM 0 H VAL A 12 -10.981 -11.881 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.629 -14.809 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.895 -13.137 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.361 -15.092 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.447 -15.517 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.720 -15.939 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.728 -13.253 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.994 -13.995 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.616 -12.330 -0.254 1.00 0.00 H new ATOM 194 N LYS A 13 -12.988 -15.512 -2.359 1.00 0.00 N ATOM 195 CA LYS A 13 -14.308 -15.920 -2.810 1.00 0.00 C ATOM 196 C LYS A 13 -15.064 -16.562 -1.646 1.00 0.00 C ATOM 197 O LYS A 13 -14.556 -17.477 -1.000 1.00 0.00 O ATOM 198 CB LYS A 13 -14.197 -16.818 -4.044 1.00 0.00 C ATOM 199 CG LYS A 13 -15.210 -16.407 -5.114 1.00 0.00 C ATOM 200 CD LYS A 13 -14.514 -15.725 -6.294 1.00 0.00 C ATOM 201 CE LYS A 13 -15.536 -15.174 -7.290 1.00 0.00 C ATOM 202 NZ LYS A 13 -15.990 -16.242 -8.210 1.00 0.00 N ATOM 0 H LYS A 13 -12.357 -16.282 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.889 -15.053 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.188 -16.759 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.365 -17.856 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.751 -17.286 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.947 -15.731 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.883 -14.915 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.859 -16.438 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.390 -14.761 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.093 -14.358 -7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.683 -15.852 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.175 -16.618 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.431 -17.008 -7.662 1.00 0.00 H new ATOM 216 N PRO A 14 -16.298 -16.043 -1.407 1.00 0.00 N ATOM 217 CA PRO A 14 -17.131 -16.557 -0.331 1.00 0.00 C ATOM 218 C PRO A 14 -17.734 -17.911 -0.704 1.00 0.00 C ATOM 219 O PRO A 14 -18.239 -18.086 -1.812 1.00 0.00 O ATOM 220 CB PRO A 14 -18.180 -15.482 -0.100 1.00 0.00 C ATOM 221 CG PRO A 14 -18.183 -14.625 -1.354 1.00 0.00 C ATOM 222 CD PRO A 14 -16.932 -14.959 -2.151 1.00 0.00 C ATOM 0 HA PRO A 14 -16.568 -16.749 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.161 -15.925 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.940 -14.885 0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.077 -14.820 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.198 -13.567 -1.093 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.180 -15.268 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.272 -14.095 -2.233 1.00 0.00 H new ATOM 230 N TRP A 15 -17.661 -18.836 0.242 1.00 0.00 N ATOM 231 CA TRP A 15 -18.195 -20.171 0.026 1.00 0.00 C ATOM 232 C TRP A 15 -19.608 -20.030 -0.541 1.00 0.00 C ATOM 233 O TRP A 15 -20.064 -20.883 -1.300 1.00 0.00 O ATOM 234 CB TRP A 15 -18.146 -20.995 1.315 1.00 0.00 C ATOM 235 CG TRP A 15 -16.880 -21.839 1.467 1.00 0.00 C ATOM 236 CD1 TRP A 15 -15.975 -21.798 2.454 1.00 0.00 C ATOM 237 CD2 TRP A 15 -16.413 -22.859 0.559 1.00 0.00 C ATOM 238 NE1 TRP A 15 -14.962 -22.713 2.250 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.237 -23.378 1.061 1.00 0.00 C ATOM 240 CE3 TRP A 15 -16.965 -23.327 -0.646 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -14.513 -24.393 0.423 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.230 -24.341 -1.271 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.044 -24.875 -0.779 1.00 0.00 C ATOM 0 H TRP A 15 -17.241 -18.688 1.159 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.586 -20.719 -0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.225 -20.321 2.168 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.015 -21.653 1.347 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.031 -21.133 3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.160 -22.872 2.859 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.884 -22.935 -1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -13.594 -24.783 0.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.611 -24.737 -2.201 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -14.535 -25.658 -1.322 1.00 0.00 H new ATOM 254 N ASP A 16 -20.263 -18.945 -0.149 1.00 0.00 N ATOM 255 CA ASP A 16 -21.615 -18.681 -0.609 1.00 0.00 C ATOM 256 C ASP A 16 -22.136 -17.405 0.055 1.00 0.00 C ATOM 257 O ASP A 16 -21.540 -16.913 1.013 1.00 0.00 O ATOM 258 CB ASP A 16 -22.558 -19.826 -0.236 1.00 0.00 C ATOM 259 CG ASP A 16 -22.887 -20.792 -1.376 1.00 0.00 C ATOM 260 OD1 ASP A 16 -22.407 -20.631 -2.508 1.00 0.00 O ATOM 261 OD2 ASP A 16 -23.684 -21.756 -1.061 1.00 0.00 O ATOM 0 H ASP A 16 -19.882 -18.240 0.482 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.586 -18.576 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.112 -20.392 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.489 -19.402 0.140 1.00 0.00 H new ATOM 266 N ASP A 17 -23.240 -16.906 -0.479 1.00 0.00 N ATOM 267 CA ASP A 17 -23.847 -15.696 0.050 1.00 0.00 C ATOM 268 C ASP A 17 -23.887 -15.777 1.578 1.00 0.00 C ATOM 269 O ASP A 17 -23.874 -14.753 2.258 1.00 0.00 O ATOM 270 CB ASP A 17 -25.283 -15.535 -0.452 1.00 0.00 C ATOM 271 CG ASP A 17 -25.928 -16.815 -0.987 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.016 -17.829 -0.280 1.00 0.00 O ATOM 273 OD2 ASP A 17 -26.358 -16.742 -2.202 1.00 0.00 O ATOM 0 H ASP A 17 -23.731 -17.317 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.251 -14.846 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.896 -15.150 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.294 -14.783 -1.241 1.00 0.00 H new ATOM 278 N GLU A 18 -23.934 -17.005 2.072 1.00 0.00 N ATOM 279 CA GLU A 18 -23.976 -17.234 3.507 1.00 0.00 C ATOM 280 C GLU A 18 -22.758 -16.600 4.180 1.00 0.00 C ATOM 281 O GLU A 18 -22.863 -16.065 5.284 1.00 0.00 O ATOM 282 CB GLU A 18 -24.062 -18.729 3.821 1.00 0.00 C ATOM 283 CG GLU A 18 -22.820 -19.467 3.317 1.00 0.00 C ATOM 284 CD GLU A 18 -22.892 -20.957 3.659 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.982 -21.546 3.641 1.00 0.00 O ATOM 286 OE2 GLU A 18 -21.759 -21.504 3.950 1.00 0.00 O ATOM 0 H GLU A 18 -23.944 -17.852 1.504 1.00 0.00 H new ATOM 0 HA GLU A 18 -24.874 -16.761 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.164 -18.873 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -24.954 -19.151 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.731 -19.342 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.927 -19.030 3.764 1.00 0.00 H new ATOM 293 N THR A 19 -21.631 -16.680 3.490 1.00 0.00 N ATOM 294 CA THR A 19 -20.393 -16.121 4.008 1.00 0.00 C ATOM 295 C THR A 19 -20.563 -14.628 4.295 1.00 0.00 C ATOM 296 O THR A 19 -20.551 -13.810 3.376 1.00 0.00 O ATOM 297 CB THR A 19 -19.281 -16.424 3.004 1.00 0.00 C ATOM 298 OG1 THR A 19 -18.899 -17.764 3.302 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.014 -15.608 3.269 1.00 0.00 C ATOM 0 H THR A 19 -21.548 -17.124 2.575 1.00 0.00 H new ATOM 0 HA THR A 19 -20.121 -16.575 4.961 1.00 0.00 H new ATOM 0 HB THR A 19 -19.639 -16.221 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.959 -17.898 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.256 -15.862 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.245 -14.545 3.202 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.637 -15.835 4.266 1.00 0.00 H new ATOM 307 N ASP A 20 -20.717 -14.318 5.575 1.00 0.00 N ATOM 308 CA ASP A 20 -20.888 -12.937 5.994 1.00 0.00 C ATOM 309 C ASP A 20 -19.817 -12.070 5.330 1.00 0.00 C ATOM 310 O ASP A 20 -18.662 -12.073 5.751 1.00 0.00 O ATOM 311 CB ASP A 20 -20.734 -12.799 7.510 1.00 0.00 C ATOM 312 CG ASP A 20 -21.982 -12.306 8.245 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.845 -11.637 7.659 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.050 -12.639 9.489 1.00 0.00 O ATOM 0 H ASP A 20 -20.727 -14.999 6.334 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.888 -12.618 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.448 -13.767 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.914 -12.111 7.716 1.00 0.00 H new ATOM 319 N MET A 21 -20.240 -11.348 4.301 1.00 0.00 N ATOM 320 CA MET A 21 -19.332 -10.478 3.575 1.00 0.00 C ATOM 321 C MET A 21 -18.762 -9.392 4.490 1.00 0.00 C ATOM 322 O MET A 21 -17.610 -8.990 4.339 1.00 0.00 O ATOM 323 CB MET A 21 -20.076 -9.824 2.409 1.00 0.00 C ATOM 324 CG MET A 21 -20.722 -10.880 1.509 1.00 0.00 C ATOM 325 SD MET A 21 -19.495 -12.063 0.978 1.00 0.00 S ATOM 326 CE MET A 21 -18.783 -11.175 -0.397 1.00 0.00 C ATOM 0 H MET A 21 -21.199 -11.349 3.954 1.00 0.00 H new ATOM 0 HA MET A 21 -18.505 -11.080 3.199 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.842 -9.151 2.794 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.383 -9.218 1.825 1.00 0.00 H new ATOM 0 HG2 MET A 21 -21.521 -11.389 2.048 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.177 -10.402 0.642 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.790 -11.570 -0.610 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.417 -11.295 -1.275 1.00 0.00 H new ATOM 0 HE3 MET A 21 -18.707 -10.117 -0.146 1.00 0.00 H new ATOM 336 N ALA A 22 -19.597 -8.948 5.419 1.00 0.00 N ATOM 337 CA ALA A 22 -19.191 -7.917 6.359 1.00 0.00 C ATOM 338 C ALA A 22 -18.081 -8.463 7.260 1.00 0.00 C ATOM 339 O ALA A 22 -17.114 -7.762 7.554 1.00 0.00 O ATOM 340 CB ALA A 22 -20.408 -7.444 7.155 1.00 0.00 C ATOM 0 H ALA A 22 -20.553 -9.284 5.540 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.791 -7.052 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.103 -6.671 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.154 -7.039 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.835 -8.285 7.701 1.00 0.00 H new ATOM 346 N LYS A 23 -18.258 -9.709 7.673 1.00 0.00 N ATOM 347 CA LYS A 23 -17.283 -10.357 8.535 1.00 0.00 C ATOM 348 C LYS A 23 -16.041 -10.715 7.715 1.00 0.00 C ATOM 349 O LYS A 23 -14.916 -10.473 8.148 1.00 0.00 O ATOM 350 CB LYS A 23 -17.913 -11.553 9.251 1.00 0.00 C ATOM 351 CG LYS A 23 -17.281 -11.761 10.629 1.00 0.00 C ATOM 352 CD LYS A 23 -18.303 -11.527 11.743 1.00 0.00 C ATOM 353 CE LYS A 23 -17.608 -11.201 13.065 1.00 0.00 C ATOM 354 NZ LYS A 23 -17.484 -12.417 13.899 1.00 0.00 N ATOM 0 H LYS A 23 -19.061 -10.287 7.427 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.960 -9.677 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.986 -11.393 9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.784 -12.452 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.884 -12.774 10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.440 -11.079 10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.967 -10.708 11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.924 -12.415 11.864 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.620 -10.784 12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.174 -10.440 13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.010 -12.178 14.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.431 -12.798 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.924 -13.131 13.391 1.00 0.00 H new ATOM 368 N LEU A 24 -16.289 -11.284 6.544 1.00 0.00 N ATOM 369 CA LEU A 24 -15.205 -11.677 5.659 1.00 0.00 C ATOM 370 C LEU A 24 -14.383 -10.442 5.286 1.00 0.00 C ATOM 371 O LEU A 24 -13.156 -10.505 5.220 1.00 0.00 O ATOM 372 CB LEU A 24 -15.751 -12.441 4.451 1.00 0.00 C ATOM 373 CG LEU A 24 -15.020 -13.737 4.091 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.355 -14.177 2.665 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.512 -13.594 4.308 1.00 0.00 C ATOM 0 H LEU A 24 -17.224 -11.482 6.188 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.530 -12.367 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.798 -12.678 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.724 -11.779 3.585 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.368 -14.523 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.823 -15.100 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.428 -14.346 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.053 -13.399 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.016 -14.528 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.129 -12.790 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.315 -13.361 5.355 1.00 0.00 H new ATOM 387 N GLU A 25 -15.092 -9.347 5.052 1.00 0.00 N ATOM 388 CA GLU A 25 -14.444 -8.099 4.687 1.00 0.00 C ATOM 389 C GLU A 25 -13.749 -7.487 5.905 1.00 0.00 C ATOM 390 O GLU A 25 -12.603 -7.049 5.814 1.00 0.00 O ATOM 391 CB GLU A 25 -15.447 -7.119 4.077 1.00 0.00 C ATOM 392 CG GLU A 25 -14.748 -5.842 3.606 1.00 0.00 C ATOM 393 CD GLU A 25 -15.584 -4.604 3.940 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.434 -4.259 3.034 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.413 -4.015 5.018 1.00 0.00 O ATOM 0 H GLU A 25 -16.109 -9.299 5.108 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.688 -8.311 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.956 -7.590 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.211 -6.869 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.769 -5.763 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.579 -5.891 2.530 1.00 0.00 H new ATOM 402 N GLU A 26 -14.472 -7.475 7.015 1.00 0.00 N ATOM 403 CA GLU A 26 -13.939 -6.922 8.249 1.00 0.00 C ATOM 404 C GLU A 26 -12.753 -7.759 8.736 1.00 0.00 C ATOM 405 O GLU A 26 -11.675 -7.224 8.991 1.00 0.00 O ATOM 406 CB GLU A 26 -15.024 -6.833 9.323 1.00 0.00 C ATOM 407 CG GLU A 26 -14.409 -6.812 10.724 1.00 0.00 C ATOM 408 CD GLU A 26 -15.157 -5.838 11.636 1.00 0.00 C ATOM 409 OE1 GLU A 26 -14.867 -4.632 11.626 1.00 0.00 O ATOM 410 OE2 GLU A 26 -16.069 -6.373 12.375 1.00 0.00 O ATOM 0 H GLU A 26 -15.422 -7.839 7.086 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.588 -5.910 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.619 -5.933 9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.701 -7.682 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.439 -7.814 11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.360 -6.523 10.660 1.00 0.00 H new ATOM 417 N CYS A 27 -12.993 -9.057 8.849 1.00 0.00 N ATOM 418 CA CYS A 27 -11.958 -9.972 9.301 1.00 0.00 C ATOM 419 C CYS A 27 -10.637 -9.564 8.646 1.00 0.00 C ATOM 420 O CYS A 27 -9.690 -9.183 9.334 1.00 0.00 O ATOM 421 CB CYS A 27 -12.319 -11.428 8.999 1.00 0.00 C ATOM 422 SG CYS A 27 -11.088 -12.548 9.758 1.00 0.00 S ATOM 0 H CYS A 27 -13.888 -9.497 8.636 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.860 -9.908 10.385 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.313 -11.652 9.385 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.352 -11.587 7.921 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.405 -13.782 9.497 1.00 0.00 H new ATOM 428 N VAL A 28 -10.614 -9.657 7.325 1.00 0.00 N ATOM 429 CA VAL A 28 -9.424 -9.302 6.570 1.00 0.00 C ATOM 430 C VAL A 28 -8.788 -8.054 7.185 1.00 0.00 C ATOM 431 O VAL A 28 -7.579 -8.015 7.407 1.00 0.00 O ATOM 432 CB VAL A 28 -9.775 -9.126 5.091 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.847 -8.111 4.424 1.00 0.00 C ATOM 434 CG2 VAL A 28 -9.740 -10.468 4.356 1.00 0.00 C ATOM 0 H VAL A 28 -11.400 -9.973 6.758 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.686 -10.103 6.622 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.792 -8.738 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.118 -8.005 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.944 -7.147 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.816 -8.456 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.993 -10.315 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.741 -10.897 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.461 -11.149 4.808 1.00 0.00 H new ATOM 444 N ARG A 29 -9.632 -7.066 7.445 1.00 0.00 N ATOM 445 CA ARG A 29 -9.166 -5.820 8.031 1.00 0.00 C ATOM 446 C ARG A 29 -8.710 -6.050 9.473 1.00 0.00 C ATOM 447 O ARG A 29 -7.639 -5.593 9.869 1.00 0.00 O ATOM 448 CB ARG A 29 -10.268 -4.758 8.014 1.00 0.00 C ATOM 449 CG ARG A 29 -9.720 -3.406 7.556 1.00 0.00 C ATOM 450 CD ARG A 29 -8.893 -2.747 8.662 1.00 0.00 C ATOM 451 NE ARG A 29 -9.747 -1.840 9.460 1.00 0.00 N ATOM 452 CZ ARG A 29 -10.004 -0.567 9.129 1.00 0.00 C ATOM 453 NH1 ARG A 29 -9.476 -0.044 8.015 1.00 0.00 N ATOM 454 NH2 ARG A 29 -10.790 0.183 9.914 1.00 0.00 N ATOM 0 H ARG A 29 -10.635 -7.103 7.261 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.326 -5.465 7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.071 -5.073 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.700 -4.661 9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.103 -3.542 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.545 -2.751 7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.458 -3.511 9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.065 -2.189 8.225 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.166 -2.206 10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.878 -0.615 7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.672 0.925 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.192 -0.215 10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.986 1.152 9.663 1.00 0.00 H new ATOM 468 N SER A 30 -9.546 -6.757 10.220 1.00 0.00 N ATOM 469 CA SER A 30 -9.243 -7.052 11.609 1.00 0.00 C ATOM 470 C SER A 30 -7.781 -7.484 11.745 1.00 0.00 C ATOM 471 O SER A 30 -7.165 -7.284 12.790 1.00 0.00 O ATOM 472 CB SER A 30 -10.170 -8.139 12.156 1.00 0.00 C ATOM 473 OG SER A 30 -9.562 -9.428 12.118 1.00 0.00 O ATOM 0 H SER A 30 -10.434 -7.134 9.888 1.00 0.00 H new ATOM 0 HA SER A 30 -9.404 -6.147 12.194 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.445 -7.898 13.183 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.092 -8.156 11.575 1.00 0.00 H new ATOM 0 HG SER A 30 -9.438 -9.704 11.186 1.00 0.00 H new ATOM 479 N ILE A 31 -7.267 -8.068 10.671 1.00 0.00 N ATOM 480 CA ILE A 31 -5.890 -8.530 10.657 1.00 0.00 C ATOM 481 C ILE A 31 -4.960 -7.358 10.982 1.00 0.00 C ATOM 482 O ILE A 31 -4.959 -6.350 10.277 1.00 0.00 O ATOM 483 CB ILE A 31 -5.569 -9.220 9.331 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.603 -10.302 9.012 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.143 -9.772 9.331 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.776 -11.260 10.192 1.00 0.00 C ATOM 0 H ILE A 31 -7.780 -8.231 9.805 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.734 -9.285 11.428 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.626 -8.476 8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.559 -9.837 8.773 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.291 -10.860 8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.941 -10.258 8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.437 -8.955 9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.034 -10.497 10.137 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.516 -12.019 9.939 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.823 -11.742 10.412 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.112 -10.703 11.067 1.00 0.00 H new ATOM 498 N GLN A 32 -4.193 -7.530 12.049 1.00 0.00 N ATOM 499 CA GLN A 32 -3.261 -6.500 12.474 1.00 0.00 C ATOM 500 C GLN A 32 -1.820 -6.977 12.286 1.00 0.00 C ATOM 501 O GLN A 32 -1.480 -8.098 12.659 1.00 0.00 O ATOM 502 CB GLN A 32 -3.520 -6.094 13.926 1.00 0.00 C ATOM 503 CG GLN A 32 -2.918 -4.719 14.227 1.00 0.00 C ATOM 504 CD GLN A 32 -3.917 -3.836 14.979 1.00 0.00 C ATOM 505 OE1 GLN A 32 -4.496 -2.909 14.438 1.00 0.00 O ATOM 506 NE2 GLN A 32 -4.084 -4.175 16.253 1.00 0.00 N ATOM 0 H GLN A 32 -4.198 -8.367 12.632 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.414 -5.619 11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.593 -6.075 14.116 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.091 -6.838 14.597 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.012 -4.837 14.821 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.627 -4.233 13.295 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.567 -4.963 16.643 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.729 -3.647 16.841 1.00 0.00 H new ATOM 515 N ALA A 33 -1.011 -6.100 11.708 1.00 0.00 N ATOM 516 CA ALA A 33 0.386 -6.418 11.466 1.00 0.00 C ATOM 517 C ALA A 33 1.181 -5.119 11.313 1.00 0.00 C ATOM 518 O ALA A 33 0.901 -4.319 10.422 1.00 0.00 O ATOM 519 CB ALA A 33 0.499 -7.320 10.235 1.00 0.00 C ATOM 0 H ALA A 33 -1.297 -5.170 11.401 1.00 0.00 H new ATOM 0 HA ALA A 33 0.807 -6.965 12.310 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.547 -7.558 10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.058 -8.241 10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.089 -6.804 9.367 1.00 0.00 H new ATOM 525 N ASP A 34 2.154 -4.951 12.195 1.00 0.00 N ATOM 526 CA ASP A 34 2.991 -3.764 12.169 1.00 0.00 C ATOM 527 C ASP A 34 3.398 -3.463 10.724 1.00 0.00 C ATOM 528 O ASP A 34 3.271 -2.331 10.263 1.00 0.00 O ATOM 529 CB ASP A 34 4.268 -3.972 12.986 1.00 0.00 C ATOM 530 CG ASP A 34 4.911 -2.690 13.518 1.00 0.00 C ATOM 531 OD1 ASP A 34 4.296 -1.613 13.504 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.112 -2.828 13.969 1.00 0.00 O ATOM 0 H ASP A 34 2.382 -5.617 12.933 1.00 0.00 H new ATOM 0 HA ASP A 34 2.420 -2.940 12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.040 -4.623 13.830 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.996 -4.496 12.367 1.00 0.00 H new ATOM 537 N GLY A 35 3.878 -4.498 10.051 1.00 0.00 N ATOM 538 CA GLY A 35 4.303 -4.359 8.668 1.00 0.00 C ATOM 539 C GLY A 35 3.133 -4.583 7.710 1.00 0.00 C ATOM 540 O GLY A 35 3.317 -5.105 6.611 1.00 0.00 O ATOM 0 H GLY A 35 3.982 -5.436 10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.721 -3.365 8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.096 -5.076 8.454 1.00 0.00 H new ATOM 544 N LEU A 36 1.955 -4.178 8.159 1.00 0.00 N ATOM 545 CA LEU A 36 0.754 -4.328 7.355 1.00 0.00 C ATOM 546 C LEU A 36 -0.030 -3.013 7.367 1.00 0.00 C ATOM 547 O LEU A 36 -0.366 -2.497 8.432 1.00 0.00 O ATOM 548 CB LEU A 36 -0.059 -5.534 7.826 1.00 0.00 C ATOM 549 CG LEU A 36 -1.124 -6.046 6.854 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.489 -6.859 5.724 1.00 0.00 C ATOM 551 CD2 LEU A 36 -2.206 -6.838 7.592 1.00 0.00 C ATOM 0 H LEU A 36 1.806 -3.745 9.071 1.00 0.00 H new ATOM 0 HA LEU A 36 1.014 -4.535 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.631 -6.350 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.548 -5.273 8.765 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.611 -5.185 6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.268 -7.211 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.213 -6.232 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.041 -7.714 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.950 -7.190 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.753 -7.692 8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.687 -6.196 8.330 1.00 0.00 H new ATOM 563 N VAL A 37 -0.300 -2.511 6.172 1.00 0.00 N ATOM 564 CA VAL A 37 -1.038 -1.267 6.032 1.00 0.00 C ATOM 565 C VAL A 37 -2.354 -1.541 5.301 1.00 0.00 C ATOM 566 O VAL A 37 -2.366 -1.730 4.085 1.00 0.00 O ATOM 567 CB VAL A 37 -0.171 -0.219 5.332 1.00 0.00 C ATOM 568 CG1 VAL A 37 -0.980 1.041 5.018 1.00 0.00 C ATOM 569 CG2 VAL A 37 1.066 0.116 6.167 1.00 0.00 C ATOM 0 H VAL A 37 -0.021 -2.943 5.291 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.288 -0.859 7.011 1.00 0.00 H new ATOM 0 HB VAL A 37 0.169 -0.642 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.340 1.770 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.814 0.785 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.363 1.468 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.665 0.863 5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.756 0.510 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.660 -0.786 6.315 1.00 0.00 H new ATOM 579 N TRP A 38 -3.432 -1.552 6.072 1.00 0.00 N ATOM 580 CA TRP A 38 -4.750 -1.798 5.512 1.00 0.00 C ATOM 581 C TRP A 38 -5.239 -0.502 4.864 1.00 0.00 C ATOM 582 O TRP A 38 -5.579 0.454 5.558 1.00 0.00 O ATOM 583 CB TRP A 38 -5.708 -2.331 6.579 1.00 0.00 C ATOM 584 CG TRP A 38 -5.570 -3.831 6.847 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.390 -4.447 8.023 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.610 -4.887 5.862 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.310 -5.816 7.871 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.449 -6.092 6.516 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.777 -4.825 4.468 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.439 -7.326 5.854 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.765 -6.067 3.823 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.604 -7.289 4.465 1.00 0.00 C ATOM 0 H TRP A 38 -3.419 -1.395 7.080 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.705 -2.573 4.747 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.537 -1.789 7.509 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.732 -2.120 6.271 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.317 -3.936 8.972 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.174 -6.499 8.616 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.904 -3.893 3.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.311 -8.256 6.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.890 -6.076 2.750 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.606 -8.206 3.894 1.00 0.00 H new ATOM 603 N GLY A 39 -5.257 -0.510 3.539 1.00 0.00 N ATOM 604 CA GLY A 39 -5.697 0.654 2.789 1.00 0.00 C ATOM 605 C GLY A 39 -7.224 0.706 2.706 1.00 0.00 C ATOM 606 O GLY A 39 -7.895 0.976 3.700 1.00 0.00 O ATOM 0 H GLY A 39 -4.974 -1.305 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.324 1.561 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.275 0.625 1.784 1.00 0.00 H new ATOM 610 N SER A 40 -7.730 0.442 1.510 1.00 0.00 N ATOM 611 CA SER A 40 -9.166 0.456 1.283 1.00 0.00 C ATOM 612 C SER A 40 -9.576 -0.762 0.454 1.00 0.00 C ATOM 613 O SER A 40 -8.965 -1.054 -0.573 1.00 0.00 O ATOM 614 CB SER A 40 -9.601 1.745 0.584 1.00 0.00 C ATOM 615 OG SER A 40 -10.906 2.154 0.983 1.00 0.00 O ATOM 0 H SER A 40 -7.171 0.217 0.687 1.00 0.00 H new ATOM 0 HA SER A 40 -9.666 0.414 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.888 2.538 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.582 1.596 -0.496 1.00 0.00 H new ATOM 0 HG SER A 40 -11.147 2.981 0.516 1.00 0.00 H new ATOM 621 N SER A 41 -10.609 -1.442 0.931 1.00 0.00 N ATOM 622 CA SER A 41 -11.109 -2.621 0.247 1.00 0.00 C ATOM 623 C SER A 41 -12.195 -2.225 -0.755 1.00 0.00 C ATOM 624 O SER A 41 -12.846 -1.193 -0.594 1.00 0.00 O ATOM 625 CB SER A 41 -11.654 -3.646 1.243 1.00 0.00 C ATOM 626 OG SER A 41 -12.644 -3.084 2.099 1.00 0.00 O ATOM 0 H SER A 41 -11.113 -1.198 1.784 1.00 0.00 H new ATOM 0 HA SER A 41 -10.280 -3.082 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.081 -4.489 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.834 -4.038 1.845 1.00 0.00 H new ATOM 0 HG SER A 41 -12.968 -3.770 2.719 1.00 0.00 H new ATOM 632 N LYS A 42 -12.358 -3.065 -1.768 1.00 0.00 N ATOM 633 CA LYS A 42 -13.355 -2.814 -2.795 1.00 0.00 C ATOM 634 C LYS A 42 -14.329 -3.993 -2.852 1.00 0.00 C ATOM 635 O LYS A 42 -13.980 -5.110 -2.475 1.00 0.00 O ATOM 636 CB LYS A 42 -12.679 -2.509 -4.133 1.00 0.00 C ATOM 637 CG LYS A 42 -11.330 -1.818 -3.922 1.00 0.00 C ATOM 638 CD LYS A 42 -11.038 -0.829 -5.052 1.00 0.00 C ATOM 639 CE LYS A 42 -10.361 -1.529 -6.232 1.00 0.00 C ATOM 640 NZ LYS A 42 -8.917 -1.206 -6.268 1.00 0.00 N ATOM 0 H LYS A 42 -11.816 -3.919 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.941 -1.928 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.534 -3.434 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.327 -1.872 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.331 -1.294 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.538 -2.565 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.967 -0.366 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.397 -0.029 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.496 -2.607 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.832 -1.220 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.473 -1.689 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.794 -0.178 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.468 -1.523 -5.385 1.00 0.00 H new ATOM 654 N LEU A 43 -15.532 -3.702 -3.325 1.00 0.00 N ATOM 655 CA LEU A 43 -16.559 -4.724 -3.436 1.00 0.00 C ATOM 656 C LEU A 43 -16.999 -4.841 -4.897 1.00 0.00 C ATOM 657 O LEU A 43 -16.893 -3.881 -5.660 1.00 0.00 O ATOM 658 CB LEU A 43 -17.708 -4.435 -2.468 1.00 0.00 C ATOM 659 CG LEU A 43 -17.694 -5.223 -1.157 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.779 -6.728 -1.420 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.473 -4.856 -0.311 1.00 0.00 C ATOM 0 H LEU A 43 -15.818 -2.774 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.163 -5.697 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.697 -3.371 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.648 -4.637 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.579 -4.947 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.767 -7.264 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.703 -6.953 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.927 -7.040 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.487 -5.430 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.563 -5.085 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.498 -3.791 -0.079 1.00 0.00 H new ATOM 673 N VAL A 44 -17.484 -6.025 -5.243 1.00 0.00 N ATOM 674 CA VAL A 44 -17.941 -6.279 -6.598 1.00 0.00 C ATOM 675 C VAL A 44 -19.014 -7.370 -6.573 1.00 0.00 C ATOM 676 O VAL A 44 -18.759 -8.486 -6.121 1.00 0.00 O ATOM 677 CB VAL A 44 -16.752 -6.631 -7.494 1.00 0.00 C ATOM 678 CG1 VAL A 44 -17.219 -7.023 -8.897 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.749 -5.476 -7.552 1.00 0.00 C ATOM 0 H VAL A 44 -17.570 -6.819 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.396 -5.384 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 44 -16.247 -7.492 -7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.354 -7.268 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.876 -7.890 -8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.760 -6.190 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.913 -5.752 -8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.239 -4.589 -7.953 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.380 -5.264 -6.549 1.00 0.00 H new ATOM 689 N PRO A 45 -20.221 -7.001 -7.078 1.00 0.00 N ATOM 690 CA PRO A 45 -21.333 -7.936 -7.118 1.00 0.00 C ATOM 691 C PRO A 45 -21.144 -8.965 -8.232 1.00 0.00 C ATOM 692 O PRO A 45 -20.698 -8.626 -9.328 1.00 0.00 O ATOM 693 CB PRO A 45 -22.567 -7.069 -7.312 1.00 0.00 C ATOM 694 CG PRO A 45 -22.062 -5.735 -7.838 1.00 0.00 C ATOM 695 CD PRO A 45 -20.559 -5.688 -7.622 1.00 0.00 C ATOM 0 HA PRO A 45 -21.418 -8.529 -6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.260 -7.529 -8.016 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -23.105 -6.940 -6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.299 -5.628 -8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.549 -4.910 -7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.030 -5.499 -8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.283 -4.891 -6.932 1.00 0.00 H new ATOM 703 N VAL A 46 -21.492 -10.204 -7.916 1.00 0.00 N ATOM 704 CA VAL A 46 -21.366 -11.286 -8.877 1.00 0.00 C ATOM 705 C VAL A 46 -22.464 -12.321 -8.620 1.00 0.00 C ATOM 706 O VAL A 46 -22.174 -13.489 -8.367 1.00 0.00 O ATOM 707 CB VAL A 46 -19.957 -11.881 -8.814 1.00 0.00 C ATOM 708 CG1 VAL A 46 -19.819 -13.064 -9.774 1.00 0.00 C ATOM 709 CG2 VAL A 46 -18.899 -10.814 -9.101 1.00 0.00 C ATOM 0 H VAL A 46 -21.861 -10.482 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.502 -10.913 -9.892 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.793 -12.251 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -18.809 -13.469 -9.710 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -20.538 -13.838 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.012 -12.730 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -17.907 -11.262 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.060 -10.401 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.975 -10.017 -8.361 1.00 0.00 H new ATOM 719 N GLY A 47 -23.702 -11.854 -8.696 1.00 0.00 N ATOM 720 CA GLY A 47 -24.844 -12.724 -8.475 1.00 0.00 C ATOM 721 C GLY A 47 -25.653 -12.269 -7.259 1.00 0.00 C ATOM 722 O GLY A 47 -25.175 -12.345 -6.128 1.00 0.00 O ATOM 0 H GLY A 47 -23.939 -10.885 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.481 -12.726 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.502 -13.748 -8.326 1.00 0.00 H new ATOM 726 N TYR A 48 -26.864 -11.807 -7.533 1.00 0.00 N ATOM 727 CA TYR A 48 -27.744 -11.340 -6.475 1.00 0.00 C ATOM 728 C TYR A 48 -27.600 -12.204 -5.220 1.00 0.00 C ATOM 729 O TYR A 48 -28.073 -13.339 -5.186 1.00 0.00 O ATOM 730 CB TYR A 48 -29.168 -11.483 -7.018 1.00 0.00 C ATOM 731 CG TYR A 48 -30.253 -11.005 -6.050 1.00 0.00 C ATOM 732 CD1 TYR A 48 -30.538 -9.660 -5.942 1.00 0.00 C ATOM 733 CD2 TYR A 48 -30.946 -11.921 -5.285 1.00 0.00 C ATOM 734 CE1 TYR A 48 -31.559 -9.211 -5.032 1.00 0.00 C ATOM 735 CE2 TYR A 48 -31.967 -11.473 -4.374 1.00 0.00 C ATOM 736 CZ TYR A 48 -32.223 -10.140 -4.292 1.00 0.00 C ATOM 737 OH TYR A 48 -33.188 -9.716 -3.432 1.00 0.00 O ATOM 0 H TYR A 48 -27.257 -11.746 -8.472 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.502 -10.313 -6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -29.250 -10.919 -7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -29.349 -12.529 -7.263 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -29.995 -8.943 -6.540 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -30.722 -12.974 -5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -31.793 -8.161 -4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -32.517 -12.179 -3.770 1.00 0.00 H new ATOM 0 HH TYR A 48 -33.578 -10.488 -2.971 1.00 0.00 H new ATOM 747 N GLY A 49 -26.945 -11.633 -4.220 1.00 0.00 N ATOM 748 CA GLY A 49 -26.733 -12.337 -2.967 1.00 0.00 C ATOM 749 C GLY A 49 -25.240 -12.528 -2.691 1.00 0.00 C ATOM 750 O GLY A 49 -24.788 -12.366 -1.558 1.00 0.00 O ATOM 0 H GLY A 49 -26.554 -10.691 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.189 -11.778 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.227 -13.308 -3.003 1.00 0.00 H new ATOM 754 N ILE A 50 -24.515 -12.869 -3.746 1.00 0.00 N ATOM 755 CA ILE A 50 -23.082 -13.083 -3.632 1.00 0.00 C ATOM 756 C ILE A 50 -22.347 -11.790 -3.991 1.00 0.00 C ATOM 757 O ILE A 50 -22.915 -10.906 -4.629 1.00 0.00 O ATOM 758 CB ILE A 50 -22.652 -14.289 -4.470 1.00 0.00 C ATOM 759 CG1 ILE A 50 -23.058 -15.599 -3.795 1.00 0.00 C ATOM 760 CG2 ILE A 50 -21.153 -14.240 -4.772 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.684 -16.566 -4.803 1.00 0.00 C ATOM 0 H ILE A 50 -24.893 -13.002 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.814 -13.327 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 50 -23.175 -14.245 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.184 -16.062 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.768 -15.394 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.873 -15.108 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.923 -13.330 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.593 -14.247 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -23.963 -17.490 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.572 -16.110 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -22.963 -16.788 -5.590 1.00 0.00 H new ATOM 773 N LYS A 51 -21.094 -11.722 -3.567 1.00 0.00 N ATOM 774 CA LYS A 51 -20.275 -10.553 -3.835 1.00 0.00 C ATOM 775 C LYS A 51 -18.798 -10.951 -3.806 1.00 0.00 C ATOM 776 O LYS A 51 -18.448 -12.008 -3.282 1.00 0.00 O ATOM 777 CB LYS A 51 -20.625 -9.419 -2.868 1.00 0.00 C ATOM 778 CG LYS A 51 -21.756 -8.552 -3.426 1.00 0.00 C ATOM 779 CD LYS A 51 -22.990 -8.615 -2.525 1.00 0.00 C ATOM 780 CE LYS A 51 -23.563 -7.216 -2.282 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.884 -7.076 -2.937 1.00 0.00 N ATOM 0 H LYS A 51 -20.626 -12.459 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.481 -10.166 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.922 -9.836 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.744 -8.803 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.418 -7.519 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.016 -8.889 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.749 -9.248 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.726 -9.075 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.661 -7.037 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.877 -6.463 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.259 -6.122 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.781 -7.226 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.541 -7.782 -2.548 1.00 0.00 H new ATOM 795 N LYS A 52 -17.972 -10.085 -4.374 1.00 0.00 N ATOM 796 CA LYS A 52 -16.542 -10.333 -4.420 1.00 0.00 C ATOM 797 C LYS A 52 -15.899 -9.826 -3.128 1.00 0.00 C ATOM 798 O LYS A 52 -16.365 -8.851 -2.539 1.00 0.00 O ATOM 799 CB LYS A 52 -15.934 -9.731 -5.688 1.00 0.00 C ATOM 800 CG LYS A 52 -15.206 -10.798 -6.508 1.00 0.00 C ATOM 801 CD LYS A 52 -14.478 -10.173 -7.699 1.00 0.00 C ATOM 802 CE LYS A 52 -14.925 -10.814 -9.014 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.350 -10.086 -10.167 1.00 0.00 N ATOM 0 H LYS A 52 -18.267 -9.210 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.343 -11.403 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.720 -9.277 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.238 -8.936 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.491 -11.323 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.922 -11.540 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.674 -9.101 -7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.402 -10.297 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.611 -11.857 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.013 -10.807 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.663 -10.534 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.670 -9.097 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.312 -10.115 -10.113 1.00 0.00 H new ATOM 817 N LEU A 53 -14.839 -10.510 -2.724 1.00 0.00 N ATOM 818 CA LEU A 53 -14.128 -10.140 -1.512 1.00 0.00 C ATOM 819 C LEU A 53 -12.721 -9.659 -1.878 1.00 0.00 C ATOM 820 O LEU A 53 -11.745 -10.380 -1.680 1.00 0.00 O ATOM 821 CB LEU A 53 -14.141 -11.295 -0.509 1.00 0.00 C ATOM 822 CG LEU A 53 -14.830 -11.015 0.828 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.871 -10.335 1.807 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.112 -10.204 0.625 1.00 0.00 C ATOM 0 H LEU A 53 -14.455 -11.318 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.630 -9.310 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.631 -12.150 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.110 -11.588 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.119 -11.969 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.386 -10.147 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.013 -10.983 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.530 -9.390 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.582 -10.019 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.870 -9.253 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.799 -10.762 -0.012 1.00 0.00 H new ATOM 836 N GLN A 54 -12.664 -8.445 -2.404 1.00 0.00 N ATOM 837 CA GLN A 54 -11.394 -7.859 -2.798 1.00 0.00 C ATOM 838 C GLN A 54 -10.962 -6.797 -1.786 1.00 0.00 C ATOM 839 O GLN A 54 -11.791 -6.041 -1.282 1.00 0.00 O ATOM 840 CB GLN A 54 -11.476 -7.272 -4.209 1.00 0.00 C ATOM 841 CG GLN A 54 -10.256 -6.400 -4.511 1.00 0.00 C ATOM 842 CD GLN A 54 -9.737 -6.655 -5.927 1.00 0.00 C ATOM 843 OE1 GLN A 54 -9.084 -7.648 -6.208 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.063 -5.708 -6.802 1.00 0.00 N ATOM 0 H GLN A 54 -13.477 -7.851 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.641 -8.647 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.541 -8.079 -4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.385 -6.679 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.520 -5.348 -4.401 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.468 -6.608 -3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.612 -4.903 -6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.764 -5.787 -7.774 1.00 0.00 H new ATOM 853 N ILE A 55 -9.665 -6.773 -1.519 1.00 0.00 N ATOM 854 CA ILE A 55 -9.112 -5.816 -0.576 1.00 0.00 C ATOM 855 C ILE A 55 -7.724 -5.380 -1.051 1.00 0.00 C ATOM 856 O ILE A 55 -7.089 -6.075 -1.842 1.00 0.00 O ATOM 857 CB ILE A 55 -9.123 -6.392 0.841 1.00 0.00 C ATOM 858 CG1 ILE A 55 -7.720 -6.830 1.267 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.139 -7.528 0.962 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.272 -8.066 0.486 1.00 0.00 C ATOM 0 H ILE A 55 -8.980 -7.401 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.732 -4.920 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.436 -5.605 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.015 -6.015 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.711 -7.047 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.127 -7.920 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.135 -7.151 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.880 -8.324 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.272 -8.357 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.966 -8.886 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.258 -7.838 -0.580 1.00 0.00 H new ATOM 872 N GLN A 56 -7.294 -4.232 -0.548 1.00 0.00 N ATOM 873 CA GLN A 56 -5.994 -3.696 -0.912 1.00 0.00 C ATOM 874 C GLN A 56 -5.260 -3.194 0.333 1.00 0.00 C ATOM 875 O GLN A 56 -5.874 -2.616 1.229 1.00 0.00 O ATOM 876 CB GLN A 56 -6.131 -2.584 -1.954 1.00 0.00 C ATOM 877 CG GLN A 56 -4.758 -2.081 -2.402 1.00 0.00 C ATOM 878 CD GLN A 56 -4.307 -2.784 -3.685 1.00 0.00 C ATOM 879 OE1 GLN A 56 -3.401 -3.602 -3.689 1.00 0.00 O ATOM 880 NE2 GLN A 56 -4.988 -2.422 -4.768 1.00 0.00 N ATOM 0 H GLN A 56 -7.823 -3.658 0.109 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.405 -4.497 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.686 -2.955 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.706 -1.758 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.798 -1.004 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.028 -2.255 -1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.735 -1.731 -4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.764 -2.835 -5.673 1.00 0.00 H new ATOM 889 N CYS A 57 -3.956 -3.431 0.349 1.00 0.00 N ATOM 890 CA CYS A 57 -3.133 -3.010 1.470 1.00 0.00 C ATOM 891 C CYS A 57 -1.739 -2.667 0.938 1.00 0.00 C ATOM 892 O CYS A 57 -1.484 -2.772 -0.260 1.00 0.00 O ATOM 893 CB CYS A 57 -3.080 -4.077 2.565 1.00 0.00 C ATOM 894 SG CYS A 57 -2.638 -5.697 1.840 1.00 0.00 S ATOM 0 H CYS A 57 -3.450 -3.909 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.571 -2.127 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.348 -3.796 3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.046 -4.145 3.065 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.594 -6.595 2.779 1.00 0.00 H new ATOM 900 N VAL A 58 -0.874 -2.264 1.857 1.00 0.00 N ATOM 901 CA VAL A 58 0.487 -1.906 1.497 1.00 0.00 C ATOM 902 C VAL A 58 1.464 -2.616 2.438 1.00 0.00 C ATOM 903 O VAL A 58 1.618 -2.219 3.592 1.00 0.00 O ATOM 904 CB VAL A 58 0.648 -0.384 1.506 1.00 0.00 C ATOM 905 CG1 VAL A 58 2.084 0.018 1.165 1.00 0.00 C ATOM 906 CG2 VAL A 58 -0.349 0.278 0.552 1.00 0.00 C ATOM 0 H VAL A 58 -1.089 -2.178 2.850 1.00 0.00 H new ATOM 0 HA VAL A 58 0.713 -2.238 0.484 1.00 0.00 H new ATOM 0 HB VAL A 58 0.433 -0.030 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.171 1.104 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.766 -0.409 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.340 -0.354 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.214 1.359 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.179 -0.085 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.365 0.032 0.860 1.00 0.00 H new ATOM 916 N VAL A 59 2.097 -3.652 1.909 1.00 0.00 N ATOM 917 CA VAL A 59 3.053 -4.421 2.687 1.00 0.00 C ATOM 918 C VAL A 59 4.420 -3.735 2.628 1.00 0.00 C ATOM 919 O VAL A 59 4.599 -2.760 1.899 1.00 0.00 O ATOM 920 CB VAL A 59 3.089 -5.868 2.190 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.674 -6.425 2.025 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.879 -5.981 0.886 1.00 0.00 C ATOM 0 H VAL A 59 1.967 -3.977 0.951 1.00 0.00 H new ATOM 0 HA VAL A 59 2.752 -4.458 3.734 1.00 0.00 H new ATOM 0 HB VAL A 59 3.600 -6.468 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.727 -7.454 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.158 -6.398 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.127 -5.820 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.889 -7.020 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.410 -5.361 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.902 -5.643 1.050 1.00 0.00 H new ATOM 932 N GLU A 60 5.349 -4.272 3.405 1.00 0.00 N ATOM 933 CA GLU A 60 6.694 -3.724 3.451 1.00 0.00 C ATOM 934 C GLU A 60 7.591 -4.432 2.433 1.00 0.00 C ATOM 935 O GLU A 60 8.433 -5.248 2.804 1.00 0.00 O ATOM 936 CB GLU A 60 7.280 -3.825 4.861 1.00 0.00 C ATOM 937 CG GLU A 60 7.116 -2.505 5.618 1.00 0.00 C ATOM 938 CD GLU A 60 8.477 -1.924 6.008 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.505 -2.599 5.856 1.00 0.00 O ATOM 940 OE2 GLU A 60 8.441 -0.725 6.483 1.00 0.00 O ATOM 0 H GLU A 60 5.197 -5.081 4.008 1.00 0.00 H new ATOM 0 HA GLU A 60 6.643 -2.667 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.784 -4.627 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.337 -4.086 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.576 -1.790 4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.516 -2.667 6.513 1.00 0.00 H new ATOM 947 N ASP A 61 7.379 -4.094 1.170 1.00 0.00 N ATOM 948 CA ASP A 61 8.157 -4.687 0.095 1.00 0.00 C ATOM 949 C ASP A 61 7.997 -6.208 0.135 1.00 0.00 C ATOM 950 O ASP A 61 7.130 -6.763 -0.538 1.00 0.00 O ATOM 951 CB ASP A 61 9.645 -4.364 0.250 1.00 0.00 C ATOM 952 CG ASP A 61 10.586 -5.233 -0.586 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.779 -4.822 -1.793 1.00 0.00 O ATOM 954 OD2 ASP A 61 11.108 -6.252 -0.109 1.00 0.00 O ATOM 0 H ASP A 61 6.679 -3.417 0.866 1.00 0.00 H new ATOM 0 HA ASP A 61 7.795 -4.279 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.805 -3.320 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.916 -4.468 1.301 1.00 0.00 H new ATOM 959 N ASP A 62 8.848 -6.840 0.932 1.00 0.00 N ATOM 960 CA ASP A 62 8.811 -8.286 1.067 1.00 0.00 C ATOM 961 C ASP A 62 8.943 -8.658 2.546 1.00 0.00 C ATOM 962 O ASP A 62 9.393 -9.754 2.877 1.00 0.00 O ATOM 963 CB ASP A 62 9.969 -8.940 0.312 1.00 0.00 C ATOM 964 CG ASP A 62 9.663 -10.320 -0.273 1.00 0.00 C ATOM 965 OD1 ASP A 62 8.651 -10.950 0.072 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.524 -10.754 -1.129 1.00 0.00 O ATOM 0 H ASP A 62 9.566 -6.377 1.490 1.00 0.00 H new ATOM 0 HA ASP A 62 7.866 -8.639 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.274 -8.278 -0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.819 -9.029 0.988 1.00 0.00 H new ATOM 971 N LYS A 63 8.541 -7.724 3.397 1.00 0.00 N ATOM 972 CA LYS A 63 8.609 -7.940 4.832 1.00 0.00 C ATOM 973 C LYS A 63 7.362 -8.702 5.288 1.00 0.00 C ATOM 974 O LYS A 63 7.468 -9.744 5.933 1.00 0.00 O ATOM 975 CB LYS A 63 8.820 -6.614 5.564 1.00 0.00 C ATOM 976 CG LYS A 63 9.845 -6.767 6.690 1.00 0.00 C ATOM 977 CD LYS A 63 9.751 -5.602 7.677 1.00 0.00 C ATOM 978 CE LYS A 63 9.844 -6.099 9.122 1.00 0.00 C ATOM 979 NZ LYS A 63 10.462 -5.067 9.986 1.00 0.00 N ATOM 0 H LYS A 63 8.167 -6.816 3.120 1.00 0.00 H new ATOM 0 HA LYS A 63 9.471 -8.557 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.159 -5.855 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.872 -6.266 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.677 -7.708 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.849 -6.812 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.552 -4.889 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.810 -5.072 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.849 -6.344 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.434 -7.015 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.518 -5.420 10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.419 -4.852 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.884 -4.203 9.963 1.00 0.00 H new ATOM 993 N VAL A 64 6.209 -8.153 4.933 1.00 0.00 N ATOM 994 CA VAL A 64 4.945 -8.768 5.297 1.00 0.00 C ATOM 995 C VAL A 64 4.324 -9.418 4.060 1.00 0.00 C ATOM 996 O VAL A 64 3.691 -8.742 3.250 1.00 0.00 O ATOM 997 CB VAL A 64 4.028 -7.731 5.951 1.00 0.00 C ATOM 998 CG1 VAL A 64 2.556 -8.089 5.740 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.348 -7.579 7.440 1.00 0.00 C ATOM 0 H VAL A 64 6.125 -7.289 4.397 1.00 0.00 H new ATOM 0 HA VAL A 64 5.102 -9.556 6.034 1.00 0.00 H new ATOM 0 HB VAL A 64 4.211 -6.771 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.927 -7.336 6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.339 -8.123 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.352 -9.064 6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.683 -6.837 7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.207 -8.536 7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.382 -7.256 7.559 1.00 0.00 H new ATOM 1009 N GLY A 65 4.525 -10.724 3.952 1.00 0.00 N ATOM 1010 CA GLY A 65 3.993 -11.473 2.828 1.00 0.00 C ATOM 1011 C GLY A 65 2.529 -11.851 3.064 1.00 0.00 C ATOM 1012 O GLY A 65 2.037 -11.769 4.189 1.00 0.00 O ATOM 0 H GLY A 65 5.050 -11.282 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.077 -10.879 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.585 -12.375 2.675 1.00 0.00 H new ATOM 1016 N THR A 66 1.875 -12.258 1.986 1.00 0.00 N ATOM 1017 CA THR A 66 0.478 -12.650 2.063 1.00 0.00 C ATOM 1018 C THR A 66 0.345 -14.030 2.711 1.00 0.00 C ATOM 1019 O THR A 66 -0.723 -14.387 3.207 1.00 0.00 O ATOM 1020 CB THR A 66 -0.110 -12.583 0.652 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.555 -11.235 0.526 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.388 -13.412 0.510 1.00 0.00 C ATOM 0 H THR A 66 2.286 -12.325 1.055 1.00 0.00 H new ATOM 0 HA THR A 66 -0.088 -11.971 2.700 1.00 0.00 H new ATOM 0 HB THR A 66 0.631 -12.933 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.209 -10.656 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.764 -13.330 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.171 -14.457 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.141 -13.041 1.205 1.00 0.00 H new ATOM 1030 N ASP A 67 1.445 -14.768 2.686 1.00 0.00 N ATOM 1031 CA ASP A 67 1.466 -16.100 3.265 1.00 0.00 C ATOM 1032 C ASP A 67 0.802 -16.063 4.644 1.00 0.00 C ATOM 1033 O ASP A 67 -0.095 -16.856 4.927 1.00 0.00 O ATOM 1034 CB ASP A 67 2.900 -16.602 3.443 1.00 0.00 C ATOM 1035 CG ASP A 67 3.773 -15.748 4.366 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.228 -14.664 3.836 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.006 -16.102 5.531 1.00 0.00 O ATOM 0 H ASP A 67 2.328 -14.468 2.274 1.00 0.00 H new ATOM 0 HA ASP A 67 0.932 -16.769 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.867 -17.618 3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.375 -16.654 2.463 1.00 0.00 H new ATOM 1042 N MET A 68 1.270 -15.134 5.464 1.00 0.00 N ATOM 1043 CA MET A 68 0.734 -14.983 6.807 1.00 0.00 C ATOM 1044 C MET A 68 -0.733 -14.547 6.765 1.00 0.00 C ATOM 1045 O MET A 68 -1.555 -15.053 7.528 1.00 0.00 O ATOM 1046 CB MET A 68 1.554 -13.941 7.570 1.00 0.00 C ATOM 1047 CG MET A 68 1.855 -14.417 8.993 1.00 0.00 C ATOM 1048 SD MET A 68 1.589 -13.084 10.150 1.00 0.00 S ATOM 1049 CE MET A 68 -0.190 -12.951 10.066 1.00 0.00 C ATOM 0 H MET A 68 2.014 -14.478 5.225 1.00 0.00 H new ATOM 0 HA MET A 68 0.794 -15.947 7.313 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.488 -13.749 7.041 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.008 -12.998 7.606 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.215 -15.262 9.246 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.885 -14.766 9.058 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.466 -11.936 9.781 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.573 -13.653 9.325 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.619 -13.183 11.041 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.015 -13.615 5.866 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.369 -13.106 5.716 1.00 0.00 C ATOM 1061 C LEU A 69 -3.294 -14.249 5.296 1.00 0.00 C ATOM 1062 O LEU A 69 -4.425 -14.343 5.771 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.388 -11.914 4.758 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.253 -10.901 4.923 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.467 -9.685 4.019 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -1.083 -10.502 6.390 1.00 0.00 C ATOM 0 H LEU A 69 -0.330 -13.199 5.235 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.743 -12.727 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.363 -12.294 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.336 -11.390 4.880 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.323 -11.376 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.646 -8.981 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.499 -10.007 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.408 -9.200 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.270 -9.781 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.007 -10.053 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.851 -11.387 6.983 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.781 -15.088 4.409 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.548 -16.221 3.918 1.00 0.00 C ATOM 1080 C GLU A 70 -3.617 -17.316 4.984 1.00 0.00 C ATOM 1081 O GLU A 70 -4.548 -18.120 4.994 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.956 -16.761 2.615 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.797 -17.917 2.069 1.00 0.00 C ATOM 1084 CD GLU A 70 -3.060 -18.646 0.942 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -2.863 -18.074 -0.140 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.689 -19.849 1.223 1.00 0.00 O ATOM 0 H GLU A 70 -1.843 -15.006 4.017 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.562 -15.883 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.906 -15.962 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.935 -17.100 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.024 -18.617 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.749 -17.536 1.699 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.620 -17.312 5.857 1.00 0.00 N ATOM 1094 CA GLU A 71 -2.556 -18.295 6.925 1.00 0.00 C ATOM 1095 C GLU A 71 -3.592 -17.974 8.004 1.00 0.00 C ATOM 1096 O GLU A 71 -3.914 -18.824 8.834 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.149 -18.367 7.520 1.00 0.00 C ATOM 1098 CG GLU A 71 -0.435 -19.649 7.086 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.541 -20.728 8.166 1.00 0.00 C ATOM 1100 OE1 GLU A 71 0.097 -20.614 9.222 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -1.322 -21.713 7.876 1.00 0.00 O ATOM 0 H GLU A 71 -1.850 -16.643 5.846 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.788 -19.274 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.571 -17.499 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.208 -18.330 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.871 -20.016 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.614 -19.434 6.883 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.087 -16.746 7.958 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.080 -16.303 8.922 1.00 0.00 C ATOM 1110 C GLN A 72 -6.397 -15.976 8.216 1.00 0.00 C ATOM 1111 O GLN A 72 -7.464 -16.405 8.653 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.572 -15.099 9.719 1.00 0.00 C ATOM 1113 CG GLN A 72 -4.352 -13.891 8.806 1.00 0.00 C ATOM 1114 CD GLN A 72 -3.462 -12.847 9.483 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -2.595 -12.243 8.873 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -3.724 -12.669 10.775 1.00 0.00 N ATOM 0 H GLN A 72 -3.819 -16.044 7.268 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.260 -17.115 9.627 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.291 -14.845 10.498 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.638 -15.357 10.219 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.893 -14.215 7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.313 -13.444 8.550 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.464 -13.208 11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.185 -11.993 11.316 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.280 -15.220 7.134 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.447 -14.832 6.362 1.00 0.00 C ATOM 1127 C ILE A 73 -8.199 -16.087 5.915 1.00 0.00 C ATOM 1128 O ILE A 73 -9.163 -16.498 6.557 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.045 -13.912 5.207 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.466 -12.595 5.730 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.219 -13.683 4.254 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -5.760 -11.825 4.614 1.00 0.00 C ATOM 0 H ILE A 73 -5.394 -14.866 6.774 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.134 -14.251 6.978 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.258 -14.405 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.265 -11.984 6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.763 -12.798 6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.906 -13.026 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.545 -14.638 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.044 -13.222 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.358 -10.894 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.946 -12.429 4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.472 -11.602 3.819 1.00 0.00 H new ATOM 1144 N THR A 74 -7.728 -16.660 4.817 1.00 0.00 N ATOM 1145 CA THR A 74 -8.344 -17.861 4.277 1.00 0.00 C ATOM 1146 C THR A 74 -8.423 -18.948 5.350 1.00 0.00 C ATOM 1147 O THR A 74 -9.193 -19.899 5.219 1.00 0.00 O ATOM 1148 CB THR A 74 -7.548 -18.284 3.041 1.00 0.00 C ATOM 1149 OG1 THR A 74 -6.290 -18.700 3.563 1.00 0.00 O ATOM 1150 CG2 THR A 74 -7.203 -17.102 2.132 1.00 0.00 C ATOM 0 H THR A 74 -6.928 -16.315 4.287 1.00 0.00 H new ATOM 0 HA THR A 74 -9.374 -17.675 3.971 1.00 0.00 H new ATOM 0 HB THR A 74 -8.120 -19.020 2.476 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.802 -17.920 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.638 -17.458 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.122 -16.625 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.603 -16.380 2.686 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.618 -18.773 6.387 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.587 -19.727 7.482 1.00 0.00 C ATOM 1160 C ALA A 75 -9.015 -20.184 7.793 1.00 0.00 C ATOM 1161 O ALA A 75 -9.223 -21.306 8.254 1.00 0.00 O ATOM 1162 CB ALA A 75 -6.902 -19.093 8.693 1.00 0.00 C ATOM 0 H ALA A 75 -6.981 -17.983 6.492 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.009 -20.609 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.879 -19.809 9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.883 -18.811 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.455 -18.206 9.001 1.00 0.00 H new ATOM 1168 N PHE A 76 -9.958 -19.295 7.527 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.359 -19.594 7.773 1.00 0.00 C ATOM 1170 C PHE A 76 -11.991 -20.289 6.566 1.00 0.00 C ATOM 1171 O PHE A 76 -12.686 -19.656 5.773 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.068 -18.257 8.005 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.387 -17.969 9.473 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -11.383 -17.908 10.389 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -13.676 -17.776 9.862 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -11.681 -17.641 11.751 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -13.973 -17.509 11.225 1.00 0.00 C ATOM 1178 CZ PHE A 76 -12.969 -17.447 12.141 1.00 0.00 C ATOM 0 H PHE A 76 -9.781 -18.367 7.143 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.452 -20.259 8.632 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.443 -17.454 7.615 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.996 -18.245 7.433 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.360 -18.063 10.080 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.473 -17.826 9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.884 -17.592 12.478 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.996 -17.355 11.534 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.195 -17.244 13.177 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.728 -21.584 6.464 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.262 -22.373 5.367 1.00 0.00 C ATOM 1190 C GLU A 77 -13.774 -22.549 5.528 1.00 0.00 C ATOM 1191 O GLU A 77 -14.433 -23.111 4.654 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.559 -23.728 5.273 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.036 -23.977 3.857 1.00 0.00 C ATOM 1194 CD GLU A 77 -10.208 -25.263 3.796 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -9.546 -25.620 4.783 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -10.267 -25.898 2.676 1.00 0.00 O ATOM 0 H GLU A 77 -11.152 -22.107 7.124 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.075 -21.839 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.731 -23.762 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.252 -24.521 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.874 -24.046 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.426 -23.132 3.537 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.278 -22.059 6.650 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.700 -22.155 6.935 1.00 0.00 C ATOM 1205 C ASP A 78 -16.412 -20.917 6.387 1.00 0.00 C ATOM 1206 O ASP A 78 -17.564 -20.656 6.728 1.00 0.00 O ATOM 1207 CB ASP A 78 -15.956 -22.219 8.442 1.00 0.00 C ATOM 1208 CG ASP A 78 -14.946 -21.456 9.302 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -14.233 -20.567 8.813 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -14.908 -21.811 10.542 1.00 0.00 O ATOM 0 H ASP A 78 -13.728 -21.594 7.373 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.077 -23.064 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -16.952 -21.826 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.958 -23.264 8.751 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.694 -20.186 5.545 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.242 -18.981 4.946 1.00 0.00 C ATOM 1217 C TYR A 79 -15.542 -18.659 3.626 1.00 0.00 C ATOM 1218 O TYR A 79 -16.190 -18.282 2.651 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.971 -17.853 5.944 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.959 -17.804 7.111 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.788 -18.641 8.195 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -18.020 -16.922 7.081 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -17.718 -18.594 9.294 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.949 -16.876 8.180 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.752 -17.714 9.232 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.630 -17.670 10.270 1.00 0.00 O ATOM 0 H TYR A 79 -14.738 -20.406 5.264 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.304 -19.105 4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.962 -17.967 6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -16.000 -16.900 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.957 -19.331 8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -18.153 -16.266 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -17.596 -19.244 10.148 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.784 -16.191 8.169 1.00 0.00 H new ATOM 0 HH TYR A 79 -20.316 -16.994 10.089 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.227 -18.818 3.636 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.431 -18.548 2.450 1.00 0.00 C ATOM 1238 C VAL A 80 -13.440 -19.779 1.543 1.00 0.00 C ATOM 1239 O VAL A 80 -13.172 -20.890 1.997 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.020 -18.114 2.855 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.055 -18.215 1.672 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -12.027 -16.699 3.438 1.00 0.00 C ATOM 0 H VAL A 80 -13.692 -19.130 4.446 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.861 -17.723 1.882 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.670 -18.794 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.060 -17.901 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.016 -19.246 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.401 -17.570 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.012 -16.416 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.407 -16.000 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.667 -16.672 4.320 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.752 -19.540 0.278 1.00 0.00 N ATOM 1253 CA GLN A 81 -13.800 -20.616 -0.697 1.00 0.00 C ATOM 1254 C GLN A 81 -12.412 -20.852 -1.296 1.00 0.00 C ATOM 1255 O GLN A 81 -12.033 -21.992 -1.563 1.00 0.00 O ATOM 1256 CB GLN A 81 -14.826 -20.318 -1.792 1.00 0.00 C ATOM 1257 CG GLN A 81 -14.998 -21.520 -2.724 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.550 -21.085 -4.082 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -14.819 -20.762 -5.004 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -16.878 -21.096 -4.156 1.00 0.00 N ATOM 0 H GLN A 81 -13.974 -18.617 -0.094 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.114 -21.527 -0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.784 -20.065 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.507 -19.449 -2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.039 -22.019 -2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.673 -22.245 -2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.432 -21.377 -3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.343 -20.823 -5.022 1.00 0.00 H new ATOM 1269 N SER A 82 -11.692 -19.757 -1.490 1.00 0.00 N ATOM 1270 CA SER A 82 -10.354 -19.831 -2.051 1.00 0.00 C ATOM 1271 C SER A 82 -9.880 -18.434 -2.458 1.00 0.00 C ATOM 1272 O SER A 82 -10.502 -17.783 -3.297 1.00 0.00 O ATOM 1273 CB SER A 82 -10.313 -20.777 -3.253 1.00 0.00 C ATOM 1274 OG SER A 82 -9.979 -22.109 -2.873 1.00 0.00 O ATOM 0 H SER A 82 -12.010 -18.813 -1.269 1.00 0.00 H new ATOM 0 HA SER A 82 -9.684 -20.227 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.283 -20.774 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.584 -20.413 -3.976 1.00 0.00 H new ATOM 0 HG SER A 82 -10.607 -22.421 -2.189 1.00 0.00 H new ATOM 1280 N MET A 83 -8.782 -18.015 -1.846 1.00 0.00 N ATOM 1281 CA MET A 83 -8.218 -16.708 -2.134 1.00 0.00 C ATOM 1282 C MET A 83 -7.381 -16.742 -3.414 1.00 0.00 C ATOM 1283 O MET A 83 -6.826 -17.781 -3.770 1.00 0.00 O ATOM 1284 CB MET A 83 -7.342 -16.260 -0.963 1.00 0.00 C ATOM 1285 CG MET A 83 -6.657 -14.926 -1.268 1.00 0.00 C ATOM 1286 SD MET A 83 -5.690 -14.400 0.136 1.00 0.00 S ATOM 1287 CE MET A 83 -4.167 -15.273 -0.191 1.00 0.00 C ATOM 0 H MET A 83 -8.268 -18.558 -1.152 1.00 0.00 H new ATOM 0 HA MET A 83 -9.037 -16.003 -2.276 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.952 -16.163 -0.065 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.589 -17.020 -0.756 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.016 -15.029 -2.143 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.405 -14.170 -1.508 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.423 -14.999 0.557 1.00 0.00 H new ATOM 0 HE2 MET A 83 -4.347 -16.347 -0.148 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.800 -15.006 -1.182 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.315 -15.594 -4.071 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.554 -15.480 -5.305 1.00 0.00 C ATOM 1299 C ASP A 84 -5.834 -14.130 -5.331 1.00 0.00 C ATOM 1300 O ASP A 84 -6.302 -13.161 -4.736 1.00 0.00 O ATOM 1301 CB ASP A 84 -7.472 -15.550 -6.526 1.00 0.00 C ATOM 1302 CG ASP A 84 -8.968 -15.461 -6.218 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -9.423 -16.395 -5.452 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -9.664 -14.547 -6.684 1.00 0.00 O ATOM 0 H ASP A 84 -7.776 -14.734 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.843 -16.305 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.208 -14.741 -7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.280 -16.485 -7.053 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.706 -14.111 -6.027 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.916 -12.896 -6.139 1.00 0.00 C ATOM 1311 C VAL A 85 -4.385 -12.099 -7.357 1.00 0.00 C ATOM 1312 O VAL A 85 -4.402 -12.617 -8.473 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.428 -13.244 -6.188 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.025 -13.743 -7.577 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.571 -12.048 -5.767 1.00 0.00 C ATOM 0 H VAL A 85 -4.321 -14.917 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.059 -12.264 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.251 -14.052 -5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.962 -13.983 -7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.600 -14.635 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.226 -12.966 -8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.517 -12.322 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.757 -11.212 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.828 -11.757 -4.749 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.753 -10.853 -7.103 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.221 -9.979 -8.166 1.00 0.00 C ATOM 1327 C ALA A 86 -4.019 -9.309 -8.835 1.00 0.00 C ATOM 1328 O ALA A 86 -4.104 -8.878 -9.984 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.210 -8.961 -7.592 1.00 0.00 C ATOM 0 H ALA A 86 -4.737 -10.427 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.748 -10.551 -8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.561 -8.305 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.059 -9.486 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.715 -8.366 -6.824 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.927 -9.244 -8.088 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.709 -8.634 -8.595 1.00 0.00 C ATOM 1337 C ALA A 87 -0.583 -8.831 -7.578 1.00 0.00 C ATOM 1338 O ALA A 87 -0.840 -9.126 -6.412 1.00 0.00 O ATOM 1339 CB ALA A 87 -1.966 -7.157 -8.901 1.00 0.00 C ATOM 0 H ALA A 87 -2.860 -9.603 -7.136 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.400 -9.111 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.052 -6.700 -9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.753 -7.072 -9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.276 -6.645 -7.990 1.00 0.00 H new ATOM 1345 N PHE A 88 0.640 -8.662 -8.058 1.00 0.00 N ATOM 1346 CA PHE A 88 1.806 -8.818 -7.205 1.00 0.00 C ATOM 1347 C PHE A 88 2.951 -7.916 -7.670 1.00 0.00 C ATOM 1348 O PHE A 88 3.801 -8.338 -8.453 1.00 0.00 O ATOM 1349 CB PHE A 88 2.249 -10.279 -7.314 1.00 0.00 C ATOM 1350 CG PHE A 88 2.209 -11.042 -5.987 1.00 0.00 C ATOM 1351 CD1 PHE A 88 2.549 -10.413 -4.831 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.835 -12.350 -5.966 1.00 0.00 C ATOM 1353 CE1 PHE A 88 2.512 -11.120 -3.601 1.00 0.00 C ATOM 1354 CE2 PHE A 88 1.798 -13.057 -4.736 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.138 -12.427 -3.579 1.00 0.00 C ATOM 0 H PHE A 88 0.849 -8.419 -9.026 1.00 0.00 H new ATOM 0 HA PHE A 88 1.555 -8.544 -6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.609 -10.789 -8.034 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.264 -10.312 -7.710 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.847 -9.375 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.566 -12.850 -6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.781 -10.620 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.500 -14.095 -4.718 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.111 -12.965 -2.643 1.00 0.00 H new ATOM 1365 N ASN A 89 2.936 -6.690 -7.169 1.00 0.00 N ATOM 1366 CA ASN A 89 3.962 -5.724 -7.524 1.00 0.00 C ATOM 1367 C ASN A 89 4.085 -4.684 -6.408 1.00 0.00 C ATOM 1368 O ASN A 89 3.388 -4.767 -5.397 1.00 0.00 O ATOM 1369 CB ASN A 89 3.604 -4.989 -8.817 1.00 0.00 C ATOM 1370 CG ASN A 89 4.590 -5.335 -9.935 1.00 0.00 C ATOM 1371 OD1 ASN A 89 5.490 -6.143 -9.776 1.00 0.00 O ATOM 1372 ND2 ASN A 89 4.371 -4.680 -11.071 1.00 0.00 N ATOM 0 H ASN A 89 2.230 -6.343 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 89 4.899 -6.264 -7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.593 -5.256 -9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.610 -3.913 -8.642 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.975 -4.841 -11.877 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.599 -4.017 -11.136 1.00 0.00 H new ATOM 1379 N LYS A 90 4.977 -3.729 -6.627 1.00 0.00 N ATOM 1380 CA LYS A 90 5.201 -2.675 -5.653 1.00 0.00 C ATOM 1381 C LYS A 90 4.034 -1.686 -5.703 1.00 0.00 C ATOM 1382 O LYS A 90 3.212 -1.691 -6.616 1.00 0.00 O ATOM 1383 CB LYS A 90 6.568 -2.024 -5.872 1.00 0.00 C ATOM 1384 CG LYS A 90 7.650 -2.734 -5.055 1.00 0.00 C ATOM 1385 CD LYS A 90 8.980 -2.757 -5.811 1.00 0.00 C ATOM 1386 CE LYS A 90 9.140 -4.057 -6.602 1.00 0.00 C ATOM 1387 NZ LYS A 90 9.081 -3.789 -8.056 1.00 0.00 N ATOM 0 H LYS A 90 5.554 -3.663 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 90 5.229 -3.087 -4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.826 -2.058 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.524 -0.973 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.780 -2.228 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.335 -3.754 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.031 -1.906 -6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.805 -2.652 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.091 -4.528 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.354 -4.758 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.191 -4.682 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.164 -3.360 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.847 -3.137 -8.320 1.00 0.00 H new ATOM 1401 N ILE A 91 3.981 -0.824 -4.684 1.00 0.00 N ATOM 1402 CA ILE A 91 2.940 0.179 -4.582 1.00 0.00 C ATOM 1403 C ILE A 91 3.505 1.546 -4.940 1.00 0.00 C ATOM 1404 O ILE A 91 2.802 2.380 -5.507 1.00 0.00 O ATOM 1405 CB ILE A 91 2.374 0.181 -3.164 1.00 0.00 C ATOM 1406 CG1 ILE A 91 1.386 1.333 -3.012 1.00 0.00 C ATOM 1407 CG2 ILE A 91 3.514 0.353 -2.162 1.00 0.00 C ATOM 1408 CD1 ILE A 91 0.064 0.799 -2.465 1.00 0.00 C ATOM 1409 OXT ILE A 91 4.670 1.830 -4.666 1.00 0.00 O ATOM 0 H ILE A 91 4.655 -0.808 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 91 2.135 -0.053 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 91 1.863 -0.763 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.792 2.088 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.225 1.818 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.111 0.355 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.221 -0.470 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.025 1.297 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.643 1.621 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.343 0.060 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.233 0.335 -1.494 1.00 0.00 H new