USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 558 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 49 ASN : amide:sc= -0.102 K(o=-1.2,f=-5.4!) USER MOD Set 1.2: A 74 CYS SG : rot -120:sc= -1.06 USER MOD Set 2.1: A 71 MET CE :methyl -156:sc= -1.17 (180deg=-2.36) USER MOD Set 2.2: A 72 THR OG1 : rot -74:sc= 1.38 USER MOD Set 3.1: A 51 ASN : amide:sc= 0.917 K(o=1.2,f=-4.7!) USER MOD Set 3.2: A 54 CYS SG : rot -61:sc= 0.263 USER MOD Set 4.1: A 26 LYS NZ :NH3+ 172:sc= 0.825 (180deg=0) USER MOD Set 4.2: A 27 THR OG1 : rot 170:sc= 0.714 USER MOD Set 5.1: A 25 TYR OH : rot 30:sc= 0.586 USER MOD Set 5.2: A 39 ASN : amide:sc= -3.46! C(o=-1.4!,f=-2.2!) USER MOD Set 5.3: A 44 THR OG1 : rot -173:sc= 1.51 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -164:sc= 0.461 USER MOD Single : A 32 GLN : amide:sc= -3.7 X(o=-3.7,f=-3.9) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 128:sc= -0.592! (180deg=-1.62) USER MOD Single : A 41 MET CE :methyl -129:sc= 0 (180deg=-0.0198) USER MOD Single : A 42 THR OG1 : rot 37:sc= -0.296 USER MOD Single : A 48 GLN : amide:sc= 1.24 K(o=1.2,f=-0.0035) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.13) USER MOD Single : A 56 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 59 LYS NZ :NH3+ 141:sc= 1.06 (180deg=-1.46!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.307 -10.892 0.584 1.00 0.00 N ATOM 71 CA ILE A 6 2.260 -11.596 1.863 1.00 0.00 C ATOM 72 C ILE A 6 2.824 -10.662 2.944 1.00 0.00 C ATOM 73 O ILE A 6 2.078 -10.262 3.831 1.00 0.00 O ATOM 74 CB ILE A 6 2.972 -12.975 1.774 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.394 -13.526 3.153 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.196 -13.042 0.839 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.245 -13.541 4.166 1.00 0.00 C ATOM 0 HA ILE A 6 1.233 -11.839 2.137 1.00 0.00 H new ATOM 0 HB ILE A 6 2.193 -13.597 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.778 -14.539 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.211 -12.920 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.612 -14.049 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.892 -12.792 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.951 -12.332 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.603 -13.938 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.876 -12.526 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.437 -14.169 3.791 1.00 0.00 H new ATOM 89 N LEU A 7 4.080 -10.217 2.822 1.00 0.00 N ATOM 90 CA LEU A 7 4.712 -9.149 3.621 1.00 0.00 C ATOM 91 C LEU A 7 4.152 -7.741 3.276 1.00 0.00 C ATOM 92 O LEU A 7 4.869 -6.771 3.057 1.00 0.00 O ATOM 93 CB LEU A 7 6.241 -9.293 3.512 1.00 0.00 C ATOM 94 CG LEU A 7 6.920 -9.004 2.148 1.00 0.00 C ATOM 95 CD1 LEU A 7 8.428 -8.868 2.367 1.00 0.00 C ATOM 96 CD2 LEU A 7 6.709 -10.097 1.095 1.00 0.00 C ATOM 0 H LEU A 7 4.719 -10.609 2.130 1.00 0.00 H new ATOM 0 HA LEU A 7 4.454 -9.261 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.689 -8.630 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.499 -10.312 3.800 1.00 0.00 H new ATOM 0 HG LEU A 7 6.458 -8.092 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.917 -8.665 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.623 -8.047 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.820 -9.795 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.216 -9.816 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.118 -11.039 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.643 -10.215 0.902 1.00 0.00 H new ATOM 108 N ASP A 8 2.829 -7.709 3.200 1.00 0.00 N ATOM 109 CA ASP A 8 1.910 -6.717 2.632 1.00 0.00 C ATOM 110 C ASP A 8 0.511 -6.801 3.291 1.00 0.00 C ATOM 111 O ASP A 8 -0.250 -5.837 3.295 1.00 0.00 O ATOM 112 CB ASP A 8 1.835 -7.129 1.155 1.00 0.00 C ATOM 113 CG ASP A 8 0.787 -6.433 0.295 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.124 -5.416 -0.341 1.00 0.00 O ATOM 115 OD2 ASP A 8 -0.258 -7.082 0.070 1.00 0.00 O ATOM 0 H ASP A 8 2.296 -8.487 3.589 1.00 0.00 H new ATOM 0 HA ASP A 8 2.244 -5.691 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.812 -6.955 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.650 -8.202 1.112 1.00 0.00 H new ATOM 120 N ILE A 9 0.210 -7.945 3.921 1.00 0.00 N ATOM 121 CA ILE A 9 -1.024 -8.270 4.645 1.00 0.00 C ATOM 122 C ILE A 9 -0.717 -8.842 6.043 1.00 0.00 C ATOM 123 O ILE A 9 0.436 -9.041 6.417 1.00 0.00 O ATOM 124 CB ILE A 9 -1.879 -9.266 3.834 1.00 0.00 C ATOM 125 CG1 ILE A 9 -1.238 -10.668 3.741 1.00 0.00 C ATOM 126 CG2 ILE A 9 -2.227 -8.717 2.439 1.00 0.00 C ATOM 127 CD1 ILE A 9 -2.265 -11.707 3.300 1.00 0.00 C ATOM 0 H ILE A 9 0.870 -8.722 3.938 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.589 -7.347 4.775 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.811 -9.384 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.409 -10.647 3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.824 -10.948 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.830 -9.448 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.790 -7.789 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.309 -8.524 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.790 -12.686 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.081 -11.742 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.659 -11.436 2.320 1.00 0.00 H new ATOM 139 N ARG A 10 -1.759 -9.170 6.823 1.00 0.00 N ATOM 140 CA ARG A 10 -1.616 -9.979 8.044 1.00 0.00 C ATOM 141 C ARG A 10 -1.444 -11.461 7.713 1.00 0.00 C ATOM 142 O ARG A 10 -1.976 -11.938 6.720 1.00 0.00 O ATOM 143 CB ARG A 10 -2.844 -9.791 8.958 1.00 0.00 C ATOM 144 CG ARG A 10 -4.214 -10.220 8.380 1.00 0.00 C ATOM 145 CD ARG A 10 -4.462 -11.746 8.392 1.00 0.00 C ATOM 146 NE ARG A 10 -5.881 -12.114 8.604 1.00 0.00 N ATOM 147 CZ ARG A 10 -6.327 -13.329 8.894 1.00 0.00 C ATOM 148 NH1 ARG A 10 -5.524 -14.353 8.953 1.00 0.00 N ATOM 149 NH2 ARG A 10 -7.589 -13.550 9.139 1.00 0.00 N ATOM 0 H ARG A 10 -2.718 -8.884 6.627 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.721 -9.637 8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.672 -10.351 9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.905 -8.738 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.004 -9.731 8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.291 -9.860 7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.123 -12.168 7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.857 -12.198 9.178 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.574 -11.370 8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.527 -14.230 8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.892 -15.277 9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.257 -12.779 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.908 -14.493 9.360 1.00 0.00 H new ATOM 163 N GLN A 11 -0.907 -12.224 8.657 1.00 0.00 N ATOM 164 CA GLN A 11 -0.896 -13.687 8.674 1.00 0.00 C ATOM 165 C GLN A 11 -1.559 -14.204 9.961 1.00 0.00 C ATOM 166 O GLN A 11 -1.588 -13.529 10.985 1.00 0.00 O ATOM 167 CB GLN A 11 0.523 -14.228 8.430 1.00 0.00 C ATOM 168 CG GLN A 11 1.578 -13.887 9.495 1.00 0.00 C ATOM 169 CD GLN A 11 2.972 -13.764 8.867 1.00 0.00 C ATOM 170 OE1 GLN A 11 3.199 -12.949 7.996 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.952 -14.562 9.232 1.00 0.00 N ATOM 0 H GLN A 11 -0.444 -11.823 9.473 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.495 -14.073 7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.464 -15.313 8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.872 -13.849 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.313 -12.952 9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.588 -14.660 10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.798 -15.259 9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.866 -14.484 8.786 1.00 0.00 H new ATOM 180 N GLY A 12 -2.170 -15.386 9.885 1.00 0.00 N ATOM 181 CA GLY A 12 -3.027 -15.953 10.937 1.00 0.00 C ATOM 182 C GLY A 12 -3.956 -17.073 10.440 1.00 0.00 C ATOM 183 O GLY A 12 -5.156 -16.841 10.280 1.00 0.00 O ATOM 0 H GLY A 12 -2.083 -15.995 9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.397 -16.344 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.632 -15.156 11.369 1.00 0.00 H new ATOM 187 N PRO A 13 -3.406 -18.269 10.175 1.00 0.00 N ATOM 188 CA PRO A 13 -4.080 -19.398 9.523 1.00 0.00 C ATOM 189 C PRO A 13 -4.706 -20.418 10.490 1.00 0.00 C ATOM 190 O PRO A 13 -4.957 -21.555 10.108 1.00 0.00 O ATOM 191 CB PRO A 13 -2.935 -20.047 8.761 1.00 0.00 C ATOM 192 CG PRO A 13 -1.807 -19.972 9.788 1.00 0.00 C ATOM 193 CD PRO A 13 -1.982 -18.555 10.294 1.00 0.00 C ATOM 0 HA PRO A 13 -4.925 -19.062 8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.162 -21.074 8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.693 -19.507 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.919 -20.711 10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.827 -20.133 9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.649 -18.464 11.328 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.391 -17.853 9.706 1.00 0.00 H new ATOM 201 N LYS A 14 -4.891 -20.035 11.760 1.00 0.00 N ATOM 202 CA LYS A 14 -5.279 -20.923 12.899 1.00 0.00 C ATOM 203 C LYS A 14 -6.596 -21.735 12.759 1.00 0.00 C ATOM 204 O LYS A 14 -6.986 -22.444 13.679 1.00 0.00 O ATOM 205 CB LYS A 14 -5.237 -20.146 14.224 1.00 0.00 C ATOM 206 CG LYS A 14 -3.808 -19.745 14.629 1.00 0.00 C ATOM 207 CD LYS A 14 -3.780 -19.172 16.053 1.00 0.00 C ATOM 208 CE LYS A 14 -2.334 -18.941 16.512 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.280 -18.335 17.866 1.00 0.00 N ATOM 0 H LYS A 14 -4.774 -19.064 12.049 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.519 -21.704 12.885 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.851 -19.250 14.135 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.677 -20.756 15.013 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.152 -20.614 14.570 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.422 -19.005 13.928 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.332 -18.233 16.084 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.280 -19.858 16.737 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.797 -19.890 16.516 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.826 -18.290 15.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.288 -18.193 18.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.771 -17.418 17.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.743 -18.968 18.549 1.00 0.00 H new ATOM 223 N GLU A 15 -7.257 -21.622 11.617 1.00 0.00 N ATOM 224 CA GLU A 15 -8.410 -22.364 11.120 1.00 0.00 C ATOM 225 C GLU A 15 -8.396 -22.261 9.569 1.00 0.00 C ATOM 226 O GLU A 15 -8.370 -23.301 8.902 1.00 0.00 O ATOM 227 CB GLU A 15 -9.678 -21.778 11.774 1.00 0.00 C ATOM 228 CG GLU A 15 -10.988 -22.303 11.186 1.00 0.00 C ATOM 229 CD GLU A 15 -11.444 -23.552 11.935 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.982 -24.674 11.613 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.184 -23.421 12.933 1.00 0.00 O ATOM 0 H GLU A 15 -6.963 -20.924 10.933 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.385 -23.423 11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.658 -21.999 12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.657 -20.693 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.757 -21.533 11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.853 -22.534 10.129 1.00 0.00 H new ATOM 238 N PRO A 16 -8.287 -21.046 8.965 1.00 0.00 N ATOM 239 CA PRO A 16 -8.255 -20.846 7.507 1.00 0.00 C ATOM 240 C PRO A 16 -6.955 -21.290 6.791 1.00 0.00 C ATOM 241 O PRO A 16 -6.461 -20.557 5.936 1.00 0.00 O ATOM 242 CB PRO A 16 -8.585 -19.350 7.306 1.00 0.00 C ATOM 243 CG PRO A 16 -8.092 -18.683 8.572 1.00 0.00 C ATOM 244 CD PRO A 16 -8.450 -19.734 9.604 1.00 0.00 C ATOM 0 HA PRO A 16 -8.981 -21.502 7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.086 -18.948 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.655 -19.194 7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.021 -18.480 8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.591 -17.732 8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.805 -19.650 10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.475 -19.600 9.950 1.00 0.00 H new ATOM 252 N PHE A 17 -6.369 -22.462 7.091 1.00 0.00 N ATOM 253 CA PHE A 17 -5.158 -22.959 6.395 1.00 0.00 C ATOM 254 C PHE A 17 -5.317 -22.844 4.869 1.00 0.00 C ATOM 255 O PHE A 17 -4.494 -22.200 4.241 1.00 0.00 O ATOM 256 CB PHE A 17 -4.803 -24.419 6.769 1.00 0.00 C ATOM 257 CG PHE A 17 -3.370 -24.767 7.182 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.755 -24.135 8.283 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.677 -25.811 6.521 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.444 -24.497 8.666 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.375 -26.182 6.918 1.00 0.00 C ATOM 262 CZ PHE A 17 -0.754 -25.505 7.976 1.00 0.00 C ATOM 0 H PHE A 17 -6.714 -23.091 7.816 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.336 -22.325 6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.459 -24.715 7.588 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.057 -25.046 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.287 -23.373 8.834 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.152 -26.330 5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.970 -23.994 9.496 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.860 -26.983 6.409 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.256 -25.759 8.260 1.00 0.00 H new ATOM 272 N ARG A 18 -6.384 -23.390 4.254 1.00 0.00 N ATOM 273 CA ARG A 18 -6.545 -23.403 2.796 1.00 0.00 C ATOM 274 C ARG A 18 -6.912 -22.014 2.257 1.00 0.00 C ATOM 275 O ARG A 18 -6.348 -21.523 1.275 1.00 0.00 O ATOM 276 CB ARG A 18 -7.480 -24.558 2.386 1.00 0.00 C ATOM 277 CG ARG A 18 -8.981 -24.479 2.686 1.00 0.00 C ATOM 278 CD ARG A 18 -9.697 -23.514 1.746 1.00 0.00 C ATOM 279 NE ARG A 18 -11.065 -23.952 1.393 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.109 -24.017 2.206 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.039 -23.741 3.473 1.00 0.00 N ATOM 282 NH2 ARG A 18 -13.275 -24.391 1.755 1.00 0.00 N ATOM 0 H ARG A 18 -7.154 -23.832 4.757 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.593 -23.616 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.372 -24.694 1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.103 -25.463 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.423 -25.471 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.129 -24.159 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.747 -22.531 2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.111 -23.404 0.834 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.220 -24.233 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.150 -23.459 3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.873 -23.807 4.056 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.387 -24.636 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.075 -24.439 2.386 1.00 0.00 H new ATOM 296 N ASP A 19 -7.818 -21.371 2.993 1.00 0.00 N ATOM 297 CA ASP A 19 -8.425 -20.060 2.722 1.00 0.00 C ATOM 298 C ASP A 19 -7.395 -18.926 2.750 1.00 0.00 C ATOM 299 O ASP A 19 -7.644 -17.829 2.259 1.00 0.00 O ATOM 300 CB ASP A 19 -9.514 -19.790 3.778 1.00 0.00 C ATOM 301 CG ASP A 19 -10.456 -20.975 4.003 1.00 0.00 C ATOM 302 OD1 ASP A 19 -10.071 -21.960 4.677 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.494 -21.040 3.316 1.00 0.00 O ATOM 0 H ASP A 19 -8.175 -21.778 3.857 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.852 -20.086 1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.036 -19.532 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.100 -18.924 3.470 1.00 0.00 H new ATOM 308 N TYR A 20 -6.216 -19.240 3.281 1.00 0.00 N ATOM 309 CA TYR A 20 -5.041 -18.379 3.342 1.00 0.00 C ATOM 310 C TYR A 20 -3.867 -18.908 2.497 1.00 0.00 C ATOM 311 O TYR A 20 -3.184 -18.108 1.861 1.00 0.00 O ATOM 312 CB TYR A 20 -4.637 -18.196 4.808 1.00 0.00 C ATOM 313 CG TYR A 20 -3.560 -17.152 5.005 1.00 0.00 C ATOM 314 CD1 TYR A 20 -2.207 -17.509 4.861 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.910 -15.814 5.270 1.00 0.00 C ATOM 316 CE1 TYR A 20 -1.195 -16.545 5.013 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.904 -14.843 5.402 1.00 0.00 C ATOM 318 CZ TYR A 20 -1.550 -15.205 5.269 1.00 0.00 C ATOM 319 OH TYR A 20 -0.598 -14.253 5.392 1.00 0.00 O ATOM 0 H TYR A 20 -6.047 -20.153 3.703 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.302 -17.414 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.516 -17.915 5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.286 -19.149 5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.944 -18.531 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.949 -15.535 5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.156 -16.828 4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.170 -13.816 5.606 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.986 -13.454 5.807 1.00 0.00 H new ATOM 329 N VAL A 21 -3.618 -20.224 2.444 1.00 0.00 N ATOM 330 CA VAL A 21 -2.430 -20.810 1.786 1.00 0.00 C ATOM 331 C VAL A 21 -2.340 -20.532 0.298 1.00 0.00 C ATOM 332 O VAL A 21 -1.258 -20.207 -0.191 1.00 0.00 O ATOM 333 CB VAL A 21 -2.324 -22.325 2.034 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.312 -23.218 1.298 1.00 0.00 C ATOM 335 CG2 VAL A 21 -0.930 -22.842 1.743 1.00 0.00 C ATOM 0 H VAL A 21 -4.237 -20.921 2.858 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.586 -20.304 2.255 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.579 -22.396 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.128 -24.259 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.329 -22.946 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.188 -23.089 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.894 -23.915 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.680 -22.646 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.212 -22.337 2.390 1.00 0.00 H new ATOM 345 N ASP A 22 -3.471 -20.596 -0.408 1.00 0.00 N ATOM 346 CA ASP A 22 -3.461 -20.233 -1.831 1.00 0.00 C ATOM 347 C ASP A 22 -3.150 -18.749 -2.042 1.00 0.00 C ATOM 348 O ASP A 22 -2.404 -18.350 -2.933 1.00 0.00 O ATOM 349 CB ASP A 22 -4.818 -20.579 -2.440 1.00 0.00 C ATOM 350 CG ASP A 22 -4.738 -21.672 -3.514 1.00 0.00 C ATOM 351 OD1 ASP A 22 -3.762 -22.467 -3.501 1.00 0.00 O ATOM 352 OD2 ASP A 22 -5.676 -21.679 -4.338 1.00 0.00 O ATOM 0 H ASP A 22 -4.376 -20.885 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.671 -20.799 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.492 -20.906 -1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.252 -19.680 -2.877 1.00 0.00 H new ATOM 357 N ARG A 23 -3.717 -17.925 -1.157 1.00 0.00 N ATOM 358 CA ARG A 23 -3.546 -16.462 -1.122 1.00 0.00 C ATOM 359 C ARG A 23 -2.111 -16.061 -0.782 1.00 0.00 C ATOM 360 O ARG A 23 -1.651 -15.033 -1.270 1.00 0.00 O ATOM 361 CB ARG A 23 -4.528 -15.778 -0.142 1.00 0.00 C ATOM 362 CG ARG A 23 -5.803 -16.553 0.209 1.00 0.00 C ATOM 363 CD ARG A 23 -6.677 -16.911 -0.994 1.00 0.00 C ATOM 364 NE ARG A 23 -7.729 -15.903 -1.214 1.00 0.00 N ATOM 365 CZ ARG A 23 -8.617 -15.874 -2.190 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.741 -16.855 -3.039 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.406 -14.845 -2.342 1.00 0.00 N ATOM 0 H ARG A 23 -4.330 -18.266 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.774 -16.113 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.993 -15.567 0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.820 -14.818 -0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.525 -17.471 0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.393 -15.960 0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.056 -16.991 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.134 -17.888 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.776 -15.142 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.142 -17.676 -2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.438 -16.801 -3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.340 -14.053 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.089 -14.833 -3.100 1.00 0.00 H new ATOM 381 N PHE A 24 -1.426 -16.862 0.036 1.00 0.00 N ATOM 382 CA PHE A 24 -0.007 -16.756 0.360 1.00 0.00 C ATOM 383 C PHE A 24 0.920 -17.217 -0.792 1.00 0.00 C ATOM 384 O PHE A 24 1.695 -16.411 -1.321 1.00 0.00 O ATOM 385 CB PHE A 24 0.185 -17.573 1.649 1.00 0.00 C ATOM 386 CG PHE A 24 1.617 -17.724 2.096 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.422 -18.694 1.487 1.00 0.00 C ATOM 388 CD2 PHE A 24 2.147 -16.928 3.124 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.784 -18.753 1.777 1.00 0.00 C ATOM 390 CE2 PHE A 24 3.492 -17.074 3.503 1.00 0.00 C ATOM 391 CZ PHE A 24 4.333 -17.924 2.767 1.00 0.00 C ATOM 0 H PHE A 24 -1.873 -17.644 0.515 1.00 0.00 H new ATOM 0 HA PHE A 24 0.281 -15.715 0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.383 -17.100 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.241 -18.565 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.987 -19.397 0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.521 -16.204 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.419 -19.440 1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.877 -16.535 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.395 -17.940 2.962 1.00 0.00 H new ATOM 401 N TYR A 25 0.847 -18.490 -1.227 1.00 0.00 N ATOM 402 CA TYR A 25 1.797 -18.995 -2.239 1.00 0.00 C ATOM 403 C TYR A 25 1.567 -18.328 -3.616 1.00 0.00 C ATOM 404 O TYR A 25 2.504 -18.317 -4.407 1.00 0.00 O ATOM 405 CB TYR A 25 1.867 -20.541 -2.319 1.00 0.00 C ATOM 406 CG TYR A 25 2.724 -21.295 -1.286 1.00 0.00 C ATOM 407 CD1 TYR A 25 4.109 -21.544 -1.476 1.00 0.00 C ATOM 408 CD2 TYR A 25 2.102 -21.878 -0.170 1.00 0.00 C ATOM 409 CE1 TYR A 25 4.831 -22.409 -0.607 1.00 0.00 C ATOM 410 CE2 TYR A 25 2.815 -22.722 0.692 1.00 0.00 C ATOM 411 CZ TYR A 25 4.176 -23.021 0.489 1.00 0.00 C ATOM 412 OH TYR A 25 4.788 -23.867 1.385 1.00 0.00 O ATOM 0 H TYR A 25 0.160 -19.172 -0.905 1.00 0.00 H new ATOM 0 HA TYR A 25 2.789 -18.697 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.849 -20.923 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.236 -20.805 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.625 -21.067 -2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.060 -21.673 0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.879 -22.599 -0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.305 -23.157 1.539 1.00 0.00 H new ATOM 0 HH TYR A 25 5.734 -23.625 1.470 1.00 0.00 H new ATOM 422 N LYS A 26 0.411 -17.684 -3.872 1.00 0.00 N ATOM 423 CA LYS A 26 0.117 -16.802 -5.029 1.00 0.00 C ATOM 424 C LYS A 26 1.275 -15.874 -5.427 1.00 0.00 C ATOM 425 O LYS A 26 1.502 -15.663 -6.619 1.00 0.00 O ATOM 426 CB LYS A 26 -1.207 -16.057 -4.726 1.00 0.00 C ATOM 427 CG LYS A 26 -1.557 -14.775 -5.513 1.00 0.00 C ATOM 428 CD LYS A 26 -0.880 -13.470 -5.043 1.00 0.00 C ATOM 429 CE LYS A 26 -1.157 -13.104 -3.579 1.00 0.00 C ATOM 430 NZ LYS A 26 -0.317 -11.977 -3.115 1.00 0.00 N ATOM 0 H LYS A 26 -0.389 -17.767 -3.245 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.004 -17.414 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.022 -16.765 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.201 -15.799 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.297 -14.936 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.637 -14.633 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.197 -13.562 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.216 -12.651 -5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.209 -12.842 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.975 -13.974 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.631 -11.676 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.677 -12.280 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.406 -11.181 -3.779 1.00 0.00 H new ATOM 444 N THR A 27 2.034 -15.360 -4.454 1.00 0.00 N ATOM 445 CA THR A 27 3.299 -14.632 -4.686 1.00 0.00 C ATOM 446 C THR A 27 4.510 -15.340 -4.104 1.00 0.00 C ATOM 447 O THR A 27 5.488 -15.514 -4.836 1.00 0.00 O ATOM 448 CB THR A 27 3.283 -13.187 -4.148 1.00 0.00 C ATOM 449 OG1 THR A 27 2.428 -13.024 -3.038 1.00 0.00 O ATOM 450 CG2 THR A 27 2.853 -12.187 -5.215 1.00 0.00 C ATOM 0 H THR A 27 1.789 -15.436 -3.467 1.00 0.00 H new ATOM 0 HA THR A 27 3.383 -14.605 -5.772 1.00 0.00 H new ATOM 0 HB THR A 27 4.311 -12.993 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.575 -12.141 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.856 -11.182 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.547 -12.230 -6.055 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.849 -12.433 -5.561 1.00 0.00 H new ATOM 458 N LEU A 28 4.426 -15.844 -2.869 1.00 0.00 N ATOM 459 CA LEU A 28 5.615 -16.312 -2.155 1.00 0.00 C ATOM 460 C LEU A 28 6.459 -17.361 -2.902 1.00 0.00 C ATOM 461 O LEU A 28 7.689 -17.277 -2.909 1.00 0.00 O ATOM 462 CB LEU A 28 5.196 -16.777 -0.758 1.00 0.00 C ATOM 463 CG LEU A 28 6.372 -16.951 0.217 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.975 -18.351 0.106 1.00 0.00 C ATOM 465 CD2 LEU A 28 7.435 -15.862 0.099 1.00 0.00 C ATOM 0 H LEU A 28 3.554 -15.937 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 28 6.299 -15.466 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.494 -16.055 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.665 -17.725 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 28 5.956 -16.837 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.805 -18.446 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.214 -19.095 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.337 -18.512 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.232 -16.052 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.848 -15.864 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.985 -14.891 0.305 1.00 0.00 H new ATOM 477 N ARG A 29 5.768 -18.282 -3.589 1.00 0.00 N ATOM 478 CA ARG A 29 6.240 -19.396 -4.460 1.00 0.00 C ATOM 479 C ARG A 29 7.533 -19.246 -5.288 1.00 0.00 C ATOM 480 O ARG A 29 7.959 -20.234 -5.879 1.00 0.00 O ATOM 481 CB ARG A 29 5.116 -19.713 -5.448 1.00 0.00 C ATOM 482 CG ARG A 29 4.804 -18.444 -6.260 1.00 0.00 C ATOM 483 CD ARG A 29 3.703 -18.704 -7.281 1.00 0.00 C ATOM 484 NE ARG A 29 4.246 -19.329 -8.502 1.00 0.00 N ATOM 485 CZ ARG A 29 4.795 -18.711 -9.536 1.00 0.00 C ATOM 486 NH1 ARG A 29 4.868 -17.409 -9.613 1.00 0.00 N ATOM 487 NH2 ARG A 29 5.291 -19.395 -10.528 1.00 0.00 N ATOM 0 H ARG A 29 4.749 -18.273 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 29 6.498 -20.168 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.414 -20.524 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.227 -20.049 -4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.498 -17.643 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.705 -18.104 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.944 -19.352 -6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.212 -17.765 -7.537 1.00 0.00 H new ATOM 0 HE ARG A 29 4.193 -20.346 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.494 -16.832 -8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.299 -16.970 -10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.258 -20.414 -10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.712 -18.911 -11.321 1.00 0.00 H new ATOM 501 N ALA A 30 8.057 -18.036 -5.438 1.00 0.00 N ATOM 502 CA ALA A 30 9.345 -17.691 -6.038 1.00 0.00 C ATOM 503 C ALA A 30 9.841 -16.294 -5.603 1.00 0.00 C ATOM 504 O ALA A 30 10.978 -15.953 -5.901 1.00 0.00 O ATOM 505 CB ALA A 30 9.210 -17.754 -7.567 1.00 0.00 C ATOM 0 H ALA A 30 7.557 -17.206 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 30 10.087 -18.410 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.164 -17.499 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.921 -18.762 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.448 -17.046 -7.894 1.00 0.00 H new ATOM 511 N GLU A 31 9.017 -15.496 -4.913 1.00 0.00 N ATOM 512 CA GLU A 31 9.350 -14.199 -4.313 1.00 0.00 C ATOM 513 C GLU A 31 10.412 -14.329 -3.211 1.00 0.00 C ATOM 514 O GLU A 31 11.209 -13.414 -3.028 1.00 0.00 O ATOM 515 CB GLU A 31 8.019 -13.623 -3.798 1.00 0.00 C ATOM 516 CG GLU A 31 8.086 -12.567 -2.694 1.00 0.00 C ATOM 517 CD GLU A 31 6.677 -12.127 -2.265 1.00 0.00 C ATOM 518 OE1 GLU A 31 5.810 -13.010 -2.065 1.00 0.00 O ATOM 519 OE2 GLU A 31 6.409 -10.906 -2.165 1.00 0.00 O ATOM 0 H GLU A 31 8.044 -15.754 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 31 9.803 -13.526 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.490 -13.189 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.412 -14.452 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.623 -12.968 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.649 -11.703 -3.046 1.00 0.00 H new ATOM 526 N GLN A 32 10.482 -15.489 -2.545 1.00 0.00 N ATOM 527 CA GLN A 32 11.583 -15.816 -1.632 1.00 0.00 C ATOM 528 C GLN A 32 12.421 -16.994 -2.167 1.00 0.00 C ATOM 529 O GLN A 32 13.648 -16.929 -2.150 1.00 0.00 O ATOM 530 CB GLN A 32 11.031 -15.953 -0.195 1.00 0.00 C ATOM 531 CG GLN A 32 10.446 -17.320 0.212 1.00 0.00 C ATOM 532 CD GLN A 32 11.494 -18.410 0.375 1.00 0.00 C ATOM 533 OE1 GLN A 32 11.292 -19.558 0.026 1.00 0.00 O ATOM 534 NE2 GLN A 32 12.661 -18.097 0.893 1.00 0.00 N ATOM 0 H GLN A 32 9.779 -16.224 -2.624 1.00 0.00 H new ATOM 0 HA GLN A 32 12.309 -15.005 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.835 -15.710 0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.255 -15.200 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.903 -17.208 1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.722 -17.634 -0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.846 -17.139 1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.381 -18.812 0.997 1.00 0.00 H new ATOM 543 N ALA A 33 11.760 -18.028 -2.703 1.00 0.00 N ATOM 544 CA ALA A 33 12.341 -19.139 -3.460 1.00 0.00 C ATOM 545 C ALA A 33 11.233 -20.036 -4.035 1.00 0.00 C ATOM 546 O ALA A 33 10.056 -19.861 -3.718 1.00 0.00 O ATOM 547 CB ALA A 33 13.246 -19.995 -2.572 1.00 0.00 C ATOM 0 H ALA A 33 10.748 -18.114 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 33 12.930 -18.708 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.664 -20.813 -3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.055 -19.381 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.664 -20.403 -1.745 1.00 0.00 H new ATOM 553 N SER A 34 11.613 -21.003 -4.879 1.00 0.00 N ATOM 554 CA SER A 34 10.693 -22.009 -5.426 1.00 0.00 C ATOM 555 C SER A 34 9.943 -22.763 -4.321 1.00 0.00 C ATOM 556 O SER A 34 10.573 -23.435 -3.512 1.00 0.00 O ATOM 557 CB SER A 34 11.435 -23.011 -6.315 1.00 0.00 C ATOM 558 OG SER A 34 10.497 -23.854 -6.959 1.00 0.00 O ATOM 0 H SER A 34 12.574 -21.111 -5.204 1.00 0.00 H new ATOM 0 HA SER A 34 9.963 -21.468 -6.028 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.034 -22.482 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.123 -23.606 -5.715 1.00 0.00 H new ATOM 0 HG SER A 34 10.971 -24.495 -7.530 1.00 0.00 H new ATOM 564 N GLN A 35 8.608 -22.666 -4.340 1.00 0.00 N ATOM 565 CA GLN A 35 7.611 -23.422 -3.555 1.00 0.00 C ATOM 566 C GLN A 35 8.113 -24.803 -3.065 1.00 0.00 C ATOM 567 O GLN A 35 8.103 -25.756 -3.840 1.00 0.00 O ATOM 568 CB GLN A 35 6.362 -23.544 -4.462 1.00 0.00 C ATOM 569 CG GLN A 35 5.176 -24.386 -3.942 1.00 0.00 C ATOM 570 CD GLN A 35 4.605 -25.262 -5.060 1.00 0.00 C ATOM 571 OE1 GLN A 35 3.729 -24.887 -5.820 1.00 0.00 O ATOM 572 NE2 GLN A 35 5.176 -26.428 -5.274 1.00 0.00 N ATOM 0 H GLN A 35 8.152 -21.997 -4.960 1.00 0.00 H new ATOM 0 HA GLN A 35 7.389 -22.892 -2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.995 -22.538 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.680 -23.966 -5.416 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.504 -25.013 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.398 -23.728 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.911 -26.758 -4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.884 -27.001 -6.065 1.00 0.00 H new ATOM 581 N GLU A 36 8.512 -24.937 -1.790 1.00 0.00 N ATOM 582 CA GLU A 36 9.216 -26.133 -1.266 1.00 0.00 C ATOM 583 C GLU A 36 8.631 -26.731 0.039 1.00 0.00 C ATOM 584 O GLU A 36 7.832 -26.107 0.741 1.00 0.00 O ATOM 585 CB GLU A 36 10.699 -25.774 -1.002 1.00 0.00 C ATOM 586 CG GLU A 36 11.662 -26.955 -1.194 1.00 0.00 C ATOM 587 CD GLU A 36 12.938 -26.787 -0.374 1.00 0.00 C ATOM 588 OE1 GLU A 36 13.602 -25.732 -0.411 1.00 0.00 O ATOM 589 OE2 GLU A 36 13.254 -27.702 0.415 1.00 0.00 O ATOM 0 H GLU A 36 8.357 -24.217 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 36 9.093 -26.895 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.993 -24.965 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.797 -25.398 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.164 -27.880 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.918 -27.047 -2.250 1.00 0.00 H new ATOM 596 N VAL A 37 9.093 -27.942 0.399 1.00 0.00 N ATOM 597 CA VAL A 37 8.888 -28.617 1.695 1.00 0.00 C ATOM 598 C VAL A 37 9.779 -28.043 2.808 1.00 0.00 C ATOM 599 O VAL A 37 9.379 -28.119 3.967 1.00 0.00 O ATOM 600 CB VAL A 37 9.062 -30.144 1.538 1.00 0.00 C ATOM 601 CG1 VAL A 37 9.331 -30.926 2.830 1.00 0.00 C ATOM 602 CG2 VAL A 37 7.775 -30.722 0.933 1.00 0.00 C ATOM 0 H VAL A 37 9.650 -28.508 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 37 7.863 -28.423 2.010 1.00 0.00 H new ATOM 0 HB VAL A 37 9.946 -30.260 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.436 -31.986 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.250 -30.563 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.499 -30.786 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.881 -31.800 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.935 -30.510 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.594 -30.267 -0.041 1.00 0.00 H new ATOM 612 N LYS A 38 10.912 -27.365 2.531 1.00 0.00 N ATOM 613 CA LYS A 38 11.620 -26.566 3.579 1.00 0.00 C ATOM 614 C LYS A 38 10.877 -25.266 3.979 1.00 0.00 C ATOM 615 O LYS A 38 11.462 -24.285 4.435 1.00 0.00 O ATOM 616 CB LYS A 38 13.109 -26.371 3.258 1.00 0.00 C ATOM 617 CG LYS A 38 13.896 -27.676 3.494 1.00 0.00 C ATOM 618 CD LYS A 38 15.423 -27.555 3.342 1.00 0.00 C ATOM 619 CE LYS A 38 15.942 -27.554 1.895 1.00 0.00 C ATOM 620 NZ LYS A 38 15.641 -26.293 1.182 1.00 0.00 N ATOM 0 H LYS A 38 11.357 -27.347 1.613 1.00 0.00 H new ATOM 0 HA LYS A 38 11.596 -27.168 4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.224 -26.054 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.519 -25.576 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.674 -28.039 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.536 -28.431 2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.748 -26.635 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.891 -28.381 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.020 -27.716 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.497 -28.388 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.514 -25.915 0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.946 -26.477 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.251 -25.600 1.852 1.00 0.00 H new ATOM 634 N ASN A 39 9.555 -25.321 3.839 1.00 0.00 N ATOM 635 CA ASN A 39 8.508 -24.445 4.346 1.00 0.00 C ATOM 636 C ASN A 39 8.735 -24.066 5.826 1.00 0.00 C ATOM 637 O ASN A 39 8.570 -22.912 6.201 1.00 0.00 O ATOM 638 CB ASN A 39 7.216 -25.260 4.085 1.00 0.00 C ATOM 639 CG ASN A 39 6.014 -24.894 4.923 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.959 -25.167 6.107 1.00 0.00 O ATOM 641 ND2 ASN A 39 4.970 -24.391 4.310 1.00 0.00 N ATOM 0 H ASN A 39 9.143 -26.080 3.297 1.00 0.00 H new ATOM 0 HA ASN A 39 8.472 -23.471 3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.948 -25.149 3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.438 -26.315 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.106 -24.227 4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.022 -24.164 3.317 1.00 0.00 H new ATOM 648 N ALA A 40 9.244 -25.008 6.627 1.00 0.00 N ATOM 649 CA ALA A 40 9.689 -24.806 8.007 1.00 0.00 C ATOM 650 C ALA A 40 10.668 -23.633 8.238 1.00 0.00 C ATOM 651 O ALA A 40 10.811 -23.151 9.357 1.00 0.00 O ATOM 652 CB ALA A 40 10.353 -26.119 8.430 1.00 0.00 C ATOM 0 H ALA A 40 9.361 -25.973 6.317 1.00 0.00 H new ATOM 0 HA ALA A 40 8.815 -24.535 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.709 -26.033 9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.629 -26.931 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.195 -26.330 7.771 1.00 0.00 H new ATOM 658 N MET A 41 11.369 -23.178 7.192 1.00 0.00 N ATOM 659 CA MET A 41 12.426 -22.158 7.267 1.00 0.00 C ATOM 660 C MET A 41 11.962 -20.764 6.799 1.00 0.00 C ATOM 661 O MET A 41 12.797 -19.895 6.553 1.00 0.00 O ATOM 662 CB MET A 41 13.646 -22.621 6.448 1.00 0.00 C ATOM 663 CG MET A 41 14.120 -24.038 6.801 1.00 0.00 C ATOM 664 SD MET A 41 15.651 -24.560 5.972 1.00 0.00 S ATOM 665 CE MET A 41 16.866 -23.622 6.939 1.00 0.00 C ATOM 0 H MET A 41 11.213 -23.518 6.243 1.00 0.00 H new ATOM 0 HA MET A 41 12.696 -22.051 8.318 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.397 -22.584 5.388 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.467 -21.922 6.607 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.269 -24.098 7.879 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.328 -24.744 6.549 1.00 0.00 H new ATOM 0 HE1 MET A 41 17.520 -23.069 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.347 -22.923 7.595 1.00 0.00 H new ATOM 0 HE3 MET A 41 17.462 -24.309 7.539 1.00 0.00 H new ATOM 675 N THR A 42 10.655 -20.557 6.607 1.00 0.00 N ATOM 676 CA THR A 42 10.065 -19.369 5.964 1.00 0.00 C ATOM 677 C THR A 42 8.761 -18.912 6.626 1.00 0.00 C ATOM 678 O THR A 42 8.219 -19.536 7.531 1.00 0.00 O ATOM 679 CB THR A 42 9.843 -19.615 4.449 1.00 0.00 C ATOM 680 OG1 THR A 42 9.780 -20.980 4.099 1.00 0.00 O ATOM 681 CG2 THR A 42 11.066 -19.151 3.679 1.00 0.00 C ATOM 0 H THR A 42 9.951 -21.233 6.904 1.00 0.00 H new ATOM 0 HA THR A 42 10.785 -18.561 6.096 1.00 0.00 H new ATOM 0 HB THR A 42 8.912 -19.097 4.221 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.312 -21.477 4.802 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.912 -19.323 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.225 -18.087 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.940 -19.709 4.014 1.00 0.00 H new ATOM 689 N GLU A 43 8.229 -17.783 6.161 1.00 0.00 N ATOM 690 CA GLU A 43 6.930 -17.219 6.559 1.00 0.00 C ATOM 691 C GLU A 43 5.714 -18.088 6.188 1.00 0.00 C ATOM 692 O GLU A 43 4.599 -17.808 6.620 1.00 0.00 O ATOM 693 CB GLU A 43 6.770 -15.805 5.971 1.00 0.00 C ATOM 694 CG GLU A 43 6.923 -15.687 4.445 1.00 0.00 C ATOM 695 CD GLU A 43 8.383 -15.549 3.995 1.00 0.00 C ATOM 696 OE1 GLU A 43 9.025 -16.607 3.803 1.00 0.00 O ATOM 697 OE2 GLU A 43 8.849 -14.401 3.861 1.00 0.00 O ATOM 0 H GLU A 43 8.707 -17.208 5.467 1.00 0.00 H new ATOM 0 HA GLU A 43 6.943 -17.183 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.786 -15.427 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.505 -15.152 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.485 -16.567 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.358 -14.823 4.095 1.00 0.00 H new ATOM 704 N THR A 44 5.921 -19.121 5.374 1.00 0.00 N ATOM 705 CA THR A 44 4.910 -20.084 4.891 1.00 0.00 C ATOM 706 C THR A 44 4.274 -20.997 5.938 1.00 0.00 C ATOM 707 O THR A 44 4.443 -22.211 5.990 1.00 0.00 O ATOM 708 CB THR A 44 5.352 -20.823 3.631 1.00 0.00 C ATOM 709 OG1 THR A 44 4.243 -21.514 3.133 1.00 0.00 O ATOM 710 CG2 THR A 44 6.559 -21.722 3.740 1.00 0.00 C ATOM 0 H THR A 44 6.850 -19.328 5.007 1.00 0.00 H new ATOM 0 HA THR A 44 4.076 -19.441 4.612 1.00 0.00 H new ATOM 0 HB THR A 44 5.710 -20.056 2.945 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.520 -22.081 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.759 -22.182 2.772 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.424 -21.134 4.048 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.367 -22.500 4.479 1.00 0.00 H new ATOM 718 N LEU A 45 3.427 -20.376 6.744 1.00 0.00 N ATOM 719 CA LEU A 45 2.629 -20.982 7.816 1.00 0.00 C ATOM 720 C LEU A 45 1.682 -22.162 7.435 1.00 0.00 C ATOM 721 O LEU A 45 0.830 -22.513 8.248 1.00 0.00 O ATOM 722 CB LEU A 45 1.763 -19.890 8.479 1.00 0.00 C ATOM 723 CG LEU A 45 2.282 -18.449 8.579 1.00 0.00 C ATOM 724 CD1 LEU A 45 1.717 -17.613 7.404 1.00 0.00 C ATOM 725 CD2 LEU A 45 1.837 -17.831 9.904 1.00 0.00 C ATOM 0 H LEU A 45 3.263 -19.372 6.668 1.00 0.00 H new ATOM 0 HA LEU A 45 3.381 -21.421 8.472 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.817 -19.856 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.541 -20.225 9.492 1.00 0.00 H new ATOM 0 HG LEU A 45 3.371 -18.455 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.086 -16.590 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.039 -18.050 6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.628 -17.610 7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.208 -16.808 9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.748 -17.827 9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.237 -18.417 10.731 1.00 0.00 H new ATOM 737 N LEU A 46 1.713 -22.680 6.202 1.00 0.00 N ATOM 738 CA LEU A 46 0.732 -23.597 5.597 1.00 0.00 C ATOM 739 C LEU A 46 1.202 -24.210 4.266 1.00 0.00 C ATOM 740 O LEU A 46 2.190 -23.738 3.724 1.00 0.00 O ATOM 741 CB LEU A 46 -0.614 -22.864 5.396 1.00 0.00 C ATOM 742 CG LEU A 46 -0.641 -21.359 4.997 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.152 -20.537 6.162 1.00 0.00 C ATOM 744 CD2 LEU A 46 0.589 -20.699 4.364 1.00 0.00 C ATOM 0 H LEU A 46 2.471 -22.458 5.557 1.00 0.00 H new ATOM 0 HA LEU A 46 0.612 -24.428 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.167 -23.410 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.175 -22.961 6.325 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.316 -21.369 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.171 -19.483 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.159 -20.862 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.494 -20.673 7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.374 -19.650 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.433 -20.769 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.836 -21.208 3.432 1.00 0.00 H new ATOM 756 N VAL A 47 0.487 -25.220 3.727 1.00 0.00 N ATOM 757 CA VAL A 47 0.662 -25.830 2.384 1.00 0.00 C ATOM 758 C VAL A 47 -0.680 -26.257 1.773 1.00 0.00 C ATOM 759 O VAL A 47 -1.613 -26.650 2.465 1.00 0.00 O ATOM 760 CB VAL A 47 1.637 -27.021 2.409 1.00 0.00 C ATOM 761 CG1 VAL A 47 1.732 -27.784 1.083 1.00 0.00 C ATOM 762 CG2 VAL A 47 3.019 -26.452 2.673 1.00 0.00 C ATOM 0 H VAL A 47 -0.274 -25.660 4.245 1.00 0.00 H new ATOM 0 HA VAL A 47 1.096 -25.055 1.752 1.00 0.00 H new ATOM 0 HB VAL A 47 1.274 -27.717 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.440 -28.607 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.751 -28.180 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.073 -27.109 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.747 -27.263 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.283 -25.753 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.021 -25.931 3.630 1.00 0.00 H new ATOM 772 N GLN A 48 -0.771 -26.131 0.449 1.00 0.00 N ATOM 773 CA GLN A 48 -1.987 -26.250 -0.375 1.00 0.00 C ATOM 774 C GLN A 48 -2.707 -27.610 -0.313 1.00 0.00 C ATOM 775 O GLN A 48 -3.868 -27.710 -0.689 1.00 0.00 O ATOM 776 CB GLN A 48 -1.629 -25.850 -1.817 1.00 0.00 C ATOM 777 CG GLN A 48 -1.267 -24.355 -1.903 1.00 0.00 C ATOM 778 CD GLN A 48 -0.547 -23.985 -3.188 1.00 0.00 C ATOM 779 OE1 GLN A 48 0.588 -24.374 -3.409 1.00 0.00 O ATOM 780 NE2 GLN A 48 -1.142 -23.204 -4.057 1.00 0.00 N ATOM 0 H GLN A 48 0.052 -25.930 -0.119 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.727 -25.570 0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.790 -26.451 -2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.471 -26.062 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.178 -23.762 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.638 -24.091 -1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.091 -22.874 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.656 -22.926 -4.910 1.00 0.00 H new ATOM 789 N ASN A 49 -2.079 -28.654 0.233 1.00 0.00 N ATOM 790 CA ASN A 49 -2.691 -29.949 0.537 1.00 0.00 C ATOM 791 C ASN A 49 -3.848 -29.925 1.570 1.00 0.00 C ATOM 792 O ASN A 49 -4.443 -30.964 1.838 1.00 0.00 O ATOM 793 CB ASN A 49 -1.546 -30.871 0.991 1.00 0.00 C ATOM 794 CG ASN A 49 -0.871 -30.426 2.283 1.00 0.00 C ATOM 795 OD1 ASN A 49 -1.487 -29.966 3.232 1.00 0.00 O ATOM 796 ND2 ASN A 49 0.430 -30.554 2.364 1.00 0.00 N ATOM 0 H ASN A 49 -1.091 -28.619 0.485 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.189 -30.308 -0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.936 -31.880 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.798 -30.921 0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.918 -30.271 3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.955 -30.937 1.578 1.00 0.00 H new ATOM 803 N ALA A 50 -4.118 -28.771 2.179 1.00 0.00 N ATOM 804 CA ALA A 50 -5.021 -28.514 3.298 1.00 0.00 C ATOM 805 C ALA A 50 -6.439 -29.151 3.211 1.00 0.00 C ATOM 806 O ALA A 50 -7.405 -28.523 2.768 1.00 0.00 O ATOM 807 CB ALA A 50 -5.023 -26.992 3.448 1.00 0.00 C ATOM 0 H ALA A 50 -3.666 -27.910 1.871 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.658 -29.021 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.679 -26.708 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.011 -26.646 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.381 -26.536 2.525 1.00 0.00 H new ATOM 813 N ASN A 51 -6.591 -30.370 3.739 1.00 0.00 N ATOM 814 CA ASN A 51 -7.780 -31.239 3.650 1.00 0.00 C ATOM 815 C ASN A 51 -8.616 -31.151 4.964 1.00 0.00 C ATOM 816 O ASN A 51 -8.404 -30.200 5.722 1.00 0.00 O ATOM 817 CB ASN A 51 -7.295 -32.644 3.201 1.00 0.00 C ATOM 818 CG ASN A 51 -6.724 -33.518 4.313 1.00 0.00 C ATOM 819 OD1 ASN A 51 -6.329 -33.038 5.359 1.00 0.00 O ATOM 820 ND2 ASN A 51 -6.744 -34.825 4.166 1.00 0.00 N ATOM 0 H ASN A 51 -5.842 -30.808 4.275 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.497 -30.919 2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.131 -33.170 2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.534 -32.519 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.430 -35.429 4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.074 -35.235 3.292 1.00 0.00 H new ATOM 827 N PRO A 52 -9.644 -31.981 5.257 1.00 0.00 N ATOM 828 CA PRO A 52 -10.374 -31.837 6.527 1.00 0.00 C ATOM 829 C PRO A 52 -9.534 -32.291 7.734 1.00 0.00 C ATOM 830 O PRO A 52 -9.596 -31.675 8.799 1.00 0.00 O ATOM 831 CB PRO A 52 -11.650 -32.667 6.363 1.00 0.00 C ATOM 832 CG PRO A 52 -11.260 -33.745 5.354 1.00 0.00 C ATOM 833 CD PRO A 52 -10.210 -33.070 4.469 1.00 0.00 C ATOM 0 HA PRO A 52 -10.607 -30.793 6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.968 -33.103 7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.478 -32.059 5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.855 -34.627 5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.120 -34.074 4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.436 -33.779 4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.661 -32.692 3.552 1.00 0.00 H new ATOM 841 N ASP A 53 -8.728 -33.339 7.544 1.00 0.00 N ATOM 842 CA ASP A 53 -7.889 -33.971 8.564 1.00 0.00 C ATOM 843 C ASP A 53 -6.854 -33.005 9.162 1.00 0.00 C ATOM 844 O ASP A 53 -7.000 -32.593 10.316 1.00 0.00 O ATOM 845 CB ASP A 53 -7.256 -35.213 7.916 1.00 0.00 C ATOM 846 CG ASP A 53 -6.218 -35.872 8.814 1.00 0.00 C ATOM 847 OD1 ASP A 53 -6.651 -36.624 9.710 1.00 0.00 O ATOM 848 OD2 ASP A 53 -5.021 -35.597 8.582 1.00 0.00 O ATOM 0 H ASP A 53 -8.639 -33.790 6.633 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.492 -34.268 9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.038 -35.934 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.789 -34.929 6.973 1.00 0.00 H new ATOM 853 N CYS A 54 -5.865 -32.561 8.372 1.00 0.00 N ATOM 854 CA CYS A 54 -4.778 -31.726 8.889 1.00 0.00 C ATOM 855 C CYS A 54 -5.274 -30.474 9.596 1.00 0.00 C ATOM 856 O CYS A 54 -4.898 -30.192 10.725 1.00 0.00 O ATOM 857 CB CYS A 54 -3.810 -31.335 7.779 1.00 0.00 C ATOM 858 SG CYS A 54 -4.575 -30.641 6.285 1.00 0.00 S ATOM 0 H CYS A 54 -5.798 -32.767 7.375 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.259 -32.337 9.628 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.103 -30.606 8.177 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.234 -32.216 7.496 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.377 -31.519 5.760 1.00 0.00 H new ATOM 864 N LYS A 55 -6.172 -29.740 8.948 1.00 0.00 N ATOM 865 CA LYS A 55 -6.865 -28.587 9.560 1.00 0.00 C ATOM 866 C LYS A 55 -7.322 -28.859 10.990 1.00 0.00 C ATOM 867 O LYS A 55 -6.945 -28.117 11.889 1.00 0.00 O ATOM 868 CB LYS A 55 -8.101 -28.169 8.762 1.00 0.00 C ATOM 869 CG LYS A 55 -7.850 -26.932 7.893 1.00 0.00 C ATOM 870 CD LYS A 55 -7.275 -27.264 6.507 1.00 0.00 C ATOM 871 CE LYS A 55 -8.278 -26.893 5.406 1.00 0.00 C ATOM 872 NZ LYS A 55 -9.519 -27.686 5.538 1.00 0.00 N ATOM 0 H LYS A 55 -6.448 -29.919 7.982 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.122 -27.790 9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.416 -28.997 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.921 -27.965 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.787 -26.389 7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.162 -26.266 8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.342 -26.722 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.039 -28.327 6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.512 -25.830 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.832 -27.068 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.056 -27.642 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.278 -28.676 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.098 -27.299 6.311 1.00 0.00 H new ATOM 886 N THR A 56 -8.098 -29.928 11.185 1.00 0.00 N ATOM 887 CA THR A 56 -8.640 -30.359 12.488 1.00 0.00 C ATOM 888 C THR A 56 -7.542 -30.701 13.505 1.00 0.00 C ATOM 889 O THR A 56 -7.764 -30.618 14.711 1.00 0.00 O ATOM 890 CB THR A 56 -9.591 -31.558 12.297 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.551 -31.244 11.309 1.00 0.00 O ATOM 892 CG2 THR A 56 -10.389 -31.912 13.551 1.00 0.00 C ATOM 0 H THR A 56 -8.379 -30.541 10.420 1.00 0.00 H new ATOM 0 HA THR A 56 -9.195 -29.515 12.898 1.00 0.00 H new ATOM 0 HB THR A 56 -8.951 -32.398 12.029 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.195 -31.470 10.424 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.036 -32.764 13.342 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.703 -32.167 14.359 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.998 -31.058 13.848 1.00 0.00 H new ATOM 900 N ILE A 57 -6.344 -31.020 13.006 1.00 0.00 N ATOM 901 CA ILE A 57 -5.167 -31.385 13.814 1.00 0.00 C ATOM 902 C ILE A 57 -4.353 -30.140 14.197 1.00 0.00 C ATOM 903 O ILE A 57 -4.305 -29.800 15.380 1.00 0.00 O ATOM 904 CB ILE A 57 -4.324 -32.455 13.085 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.136 -33.763 12.949 1.00 0.00 C ATOM 906 CG2 ILE A 57 -3.003 -32.743 13.821 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.621 -34.635 11.806 1.00 0.00 C ATOM 0 H ILE A 57 -6.157 -31.033 12.003 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.503 -31.829 14.751 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.080 -32.064 12.097 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.084 -34.321 13.884 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.186 -33.523 12.778 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.440 -33.501 13.276 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.414 -31.828 13.883 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.218 -33.105 14.827 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.219 -35.544 11.744 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.697 -34.087 10.867 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.579 -34.897 11.989 1.00 0.00 H new ATOM 919 N LEU A 58 -3.769 -29.394 13.243 1.00 0.00 N ATOM 920 CA LEU A 58 -3.003 -28.167 13.517 1.00 0.00 C ATOM 921 C LEU A 58 -3.797 -27.106 14.276 1.00 0.00 C ATOM 922 O LEU A 58 -3.208 -26.284 14.978 1.00 0.00 O ATOM 923 CB LEU A 58 -2.459 -27.530 12.236 1.00 0.00 C ATOM 924 CG LEU A 58 -1.449 -28.417 11.504 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.105 -29.368 10.514 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.438 -27.530 10.775 1.00 0.00 C ATOM 0 H LEU A 58 -3.816 -29.629 12.251 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.180 -28.500 14.149 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.290 -27.308 11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.986 -26.579 12.483 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.952 -29.034 12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.339 -29.971 10.026 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.799 -30.022 11.043 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.648 -28.794 9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.284 -28.156 10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.960 -26.899 10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.083 -26.902 11.498 1.00 0.00 H new ATOM 938 N LYS A 59 -5.124 -27.184 14.199 1.00 0.00 N ATOM 939 CA LYS A 59 -6.050 -26.433 15.070 1.00 0.00 C ATOM 940 C LYS A 59 -5.666 -26.443 16.562 1.00 0.00 C ATOM 941 O LYS A 59 -5.908 -25.464 17.264 1.00 0.00 O ATOM 942 CB LYS A 59 -7.471 -26.954 14.858 1.00 0.00 C ATOM 943 CG LYS A 59 -8.198 -26.137 13.778 1.00 0.00 C ATOM 944 CD LYS A 59 -8.946 -24.942 14.387 1.00 0.00 C ATOM 945 CE LYS A 59 -10.227 -25.383 15.105 1.00 0.00 C ATOM 946 NZ LYS A 59 -11.313 -25.650 14.138 1.00 0.00 N ATOM 0 H LYS A 59 -5.602 -27.778 13.521 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.985 -25.385 14.777 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.438 -28.004 14.566 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.026 -26.901 15.795 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.477 -25.780 13.043 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.903 -26.778 13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.294 -24.424 15.091 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.196 -24.230 13.601 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.029 -26.280 15.691 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.541 -24.608 15.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.854 -26.483 14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.945 -24.825 14.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.905 -25.830 13.198 1.00 0.00 H new ATOM 960 N ALA A 60 -5.009 -27.516 17.006 1.00 0.00 N ATOM 961 CA ALA A 60 -4.342 -27.631 18.308 1.00 0.00 C ATOM 962 C ALA A 60 -2.826 -27.932 18.189 1.00 0.00 C ATOM 963 O ALA A 60 -2.084 -27.792 19.158 1.00 0.00 O ATOM 964 CB ALA A 60 -5.074 -28.701 19.127 1.00 0.00 C ATOM 0 H ALA A 60 -4.922 -28.365 16.447 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.396 -26.669 18.817 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.595 -28.805 20.101 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.114 -28.406 19.264 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.033 -29.654 18.600 1.00 0.00 H new ATOM 970 N LEU A 61 -2.339 -28.281 16.990 1.00 0.00 N ATOM 971 CA LEU A 61 -0.977 -28.761 16.705 1.00 0.00 C ATOM 972 C LEU A 61 -0.142 -27.808 15.824 1.00 0.00 C ATOM 973 O LEU A 61 0.842 -28.183 15.190 1.00 0.00 O ATOM 974 CB LEU A 61 -1.072 -30.203 16.173 1.00 0.00 C ATOM 975 CG LEU A 61 -0.317 -31.217 17.048 1.00 0.00 C ATOM 976 CD1 LEU A 61 -0.690 -32.649 16.670 1.00 0.00 C ATOM 977 CD2 LEU A 61 1.193 -31.058 16.920 1.00 0.00 C ATOM 0 H LEU A 61 -2.913 -28.234 16.148 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.405 -28.770 17.633 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.121 -30.494 16.112 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.673 -30.238 15.159 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.610 -31.018 18.079 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.142 -33.347 17.303 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.761 -32.795 16.810 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.433 -32.828 15.626 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.691 -31.792 17.553 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.489 -31.214 15.882 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.481 -30.054 17.233 1.00 0.00 H new ATOM 989 N GLY A 62 -0.509 -26.531 15.865 1.00 0.00 N ATOM 990 CA GLY A 62 0.227 -25.398 15.309 1.00 0.00 C ATOM 991 C GLY A 62 0.756 -24.443 16.389 1.00 0.00 C ATOM 992 O GLY A 62 0.508 -23.239 16.274 1.00 0.00 O ATOM 0 H GLY A 62 -1.378 -26.241 16.313 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.064 -25.769 14.718 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.423 -24.846 14.630 1.00 0.00 H new ATOM 996 N PRO A 63 1.503 -24.908 17.421 1.00 0.00 N ATOM 997 CA PRO A 63 2.070 -24.068 18.487 1.00 0.00 C ATOM 998 C PRO A 63 3.301 -23.262 18.014 1.00 0.00 C ATOM 999 O PRO A 63 4.266 -23.102 18.750 1.00 0.00 O ATOM 1000 CB PRO A 63 2.408 -25.060 19.609 1.00 0.00 C ATOM 1001 CG PRO A 63 2.902 -26.271 18.824 1.00 0.00 C ATOM 1002 CD PRO A 63 1.930 -26.290 17.646 1.00 0.00 C ATOM 0 HA PRO A 63 1.372 -23.299 18.819 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.172 -24.670 20.281 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.537 -25.297 20.220 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.936 -26.155 18.500 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.852 -27.188 19.411 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.411 -26.695 16.756 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.073 -26.928 17.863 1.00 0.00 H new ATOM 1010 N ALA A 64 3.294 -22.816 16.753 1.00 0.00 N ATOM 1011 CA ALA A 64 4.396 -22.114 16.083 1.00 0.00 C ATOM 1012 C ALA A 64 5.748 -22.874 16.032 1.00 0.00 C ATOM 1013 O ALA A 64 6.785 -22.239 15.896 1.00 0.00 O ATOM 1014 CB ALA A 64 4.496 -20.688 16.652 1.00 0.00 C ATOM 0 H ALA A 64 2.485 -22.940 16.144 1.00 0.00 H new ATOM 0 HA ALA A 64 4.148 -22.059 15.023 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.312 -20.157 16.161 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.560 -20.159 16.474 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.688 -20.737 17.724 1.00 0.00 H new ATOM 1020 N ALA A 65 5.733 -24.212 16.096 1.00 0.00 N ATOM 1021 CA ALA A 65 6.901 -25.070 15.842 1.00 0.00 C ATOM 1022 C ALA A 65 6.469 -26.394 15.196 1.00 0.00 C ATOM 1023 O ALA A 65 6.734 -26.632 14.029 1.00 0.00 O ATOM 1024 CB ALA A 65 7.651 -25.296 17.161 1.00 0.00 C ATOM 0 H ALA A 65 4.892 -24.740 16.330 1.00 0.00 H new ATOM 0 HA ALA A 65 7.575 -24.580 15.139 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.519 -25.931 16.982 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.980 -24.337 17.562 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.988 -25.781 17.878 1.00 0.00 H new ATOM 1030 N THR A 66 5.646 -27.209 15.866 1.00 0.00 N ATOM 1031 CA THR A 66 5.158 -28.493 15.307 1.00 0.00 C ATOM 1032 C THR A 66 4.421 -28.363 13.962 1.00 0.00 C ATOM 1033 O THR A 66 4.253 -29.322 13.228 1.00 0.00 O ATOM 1034 CB THR A 66 4.274 -29.239 16.320 1.00 0.00 C ATOM 1035 OG1 THR A 66 4.640 -28.924 17.648 1.00 0.00 O ATOM 1036 CG2 THR A 66 4.415 -30.752 16.192 1.00 0.00 C ATOM 0 H THR A 66 5.297 -27.008 16.803 1.00 0.00 H new ATOM 0 HA THR A 66 6.060 -29.072 15.106 1.00 0.00 H new ATOM 0 HB THR A 66 3.253 -28.926 16.103 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.061 -29.411 18.271 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.774 -31.241 16.926 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.120 -31.061 15.189 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.452 -31.037 16.369 1.00 0.00 H new ATOM 1044 N LEU A 67 4.023 -27.162 13.561 1.00 0.00 N ATOM 1045 CA LEU A 67 3.523 -26.885 12.214 1.00 0.00 C ATOM 1046 C LEU A 67 4.476 -27.371 11.103 1.00 0.00 C ATOM 1047 O LEU A 67 4.036 -27.973 10.132 1.00 0.00 O ATOM 1048 CB LEU A 67 3.330 -25.381 12.155 1.00 0.00 C ATOM 1049 CG LEU A 67 2.477 -24.781 11.022 1.00 0.00 C ATOM 1050 CD1 LEU A 67 2.877 -23.310 10.955 1.00 0.00 C ATOM 1051 CD2 LEU A 67 2.655 -25.439 9.665 1.00 0.00 C ATOM 0 H LEU A 67 4.037 -26.341 14.167 1.00 0.00 H new ATOM 0 HA LEU A 67 2.595 -27.428 12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.887 -25.069 13.101 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.318 -24.924 12.100 1.00 0.00 H new ATOM 0 HG LEU A 67 1.423 -24.940 11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.309 -22.814 10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.666 -22.832 11.911 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.942 -23.232 10.738 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.013 -24.946 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.695 -25.351 9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.385 -26.493 9.733 1.00 0.00 H new ATOM 1063 N GLU A 68 5.773 -27.121 11.236 1.00 0.00 N ATOM 1064 CA GLU A 68 6.819 -27.571 10.310 1.00 0.00 C ATOM 1065 C GLU A 68 6.717 -29.037 9.882 1.00 0.00 C ATOM 1066 O GLU A 68 6.958 -29.361 8.723 1.00 0.00 O ATOM 1067 CB GLU A 68 8.182 -27.452 11.024 1.00 0.00 C ATOM 1068 CG GLU A 68 8.540 -26.071 11.561 1.00 0.00 C ATOM 1069 CD GLU A 68 9.791 -26.138 12.468 1.00 0.00 C ATOM 1070 OE1 GLU A 68 10.827 -26.668 11.997 1.00 0.00 O ATOM 1071 OE2 GLU A 68 9.696 -25.697 13.638 1.00 0.00 O ATOM 0 H GLU A 68 6.144 -26.581 12.017 1.00 0.00 H new ATOM 0 HA GLU A 68 6.706 -26.946 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.197 -28.157 11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.962 -27.762 10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.725 -25.390 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.699 -25.666 12.124 1.00 0.00 H new ATOM 1078 N GLU A 69 6.341 -29.927 10.804 1.00 0.00 N ATOM 1079 CA GLU A 69 6.008 -31.316 10.431 1.00 0.00 C ATOM 1080 C GLU A 69 4.607 -31.419 9.823 1.00 0.00 C ATOM 1081 O GLU A 69 4.385 -32.098 8.819 1.00 0.00 O ATOM 1082 CB GLU A 69 6.154 -32.294 11.609 1.00 0.00 C ATOM 1083 CG GLU A 69 5.267 -32.036 12.833 1.00 0.00 C ATOM 1084 CD GLU A 69 5.216 -33.246 13.773 1.00 0.00 C ATOM 1085 OE1 GLU A 69 4.330 -34.095 13.537 1.00 0.00 O ATOM 1086 OE2 GLU A 69 6.033 -33.307 14.723 1.00 0.00 O ATOM 0 H GLU A 69 6.258 -29.722 11.800 1.00 0.00 H new ATOM 0 HA GLU A 69 6.734 -31.606 9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.946 -33.300 11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.194 -32.282 11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.644 -31.170 13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.257 -31.791 12.503 1.00 0.00 H new ATOM 1093 N MET A 70 3.653 -30.695 10.400 1.00 0.00 N ATOM 1094 CA MET A 70 2.235 -30.772 10.051 1.00 0.00 C ATOM 1095 C MET A 70 1.904 -30.359 8.614 1.00 0.00 C ATOM 1096 O MET A 70 0.941 -30.846 8.018 1.00 0.00 O ATOM 1097 CB MET A 70 1.460 -29.935 11.016 1.00 0.00 C ATOM 1098 CG MET A 70 1.480 -30.394 12.455 1.00 0.00 C ATOM 1099 SD MET A 70 0.279 -31.698 12.833 1.00 0.00 S ATOM 1100 CE MET A 70 1.413 -33.078 13.149 1.00 0.00 C ATOM 0 H MET A 70 3.847 -30.022 11.141 1.00 0.00 H new ATOM 0 HA MET A 70 1.955 -31.824 10.115 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.846 -28.917 10.975 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.423 -29.897 10.682 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.480 -30.755 12.696 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.286 -29.538 13.101 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.839 -33.970 13.399 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.011 -33.269 12.258 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.071 -32.825 13.980 1.00 0.00 H new ATOM 1110 N MET A 71 2.752 -29.491 8.068 1.00 0.00 N ATOM 1111 CA MET A 71 2.748 -28.999 6.691 1.00 0.00 C ATOM 1112 C MET A 71 2.573 -30.140 5.676 1.00 0.00 C ATOM 1113 O MET A 71 1.792 -30.009 4.736 1.00 0.00 O ATOM 1114 CB MET A 71 4.017 -28.142 6.466 1.00 0.00 C ATOM 1115 CG MET A 71 4.413 -28.050 4.980 1.00 0.00 C ATOM 1116 SD MET A 71 5.569 -29.273 4.292 1.00 0.00 S ATOM 1117 CE MET A 71 6.883 -29.229 5.543 1.00 0.00 C ATOM 0 H MET A 71 3.513 -29.084 8.613 1.00 0.00 H new ATOM 0 HA MET A 71 1.882 -28.358 6.525 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.847 -27.138 6.856 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.844 -28.568 7.033 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.496 -28.099 4.393 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.844 -27.063 4.816 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.820 -29.564 5.098 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.000 -28.210 5.912 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.619 -29.887 6.371 1.00 0.00 H new ATOM 1127 N THR A 72 3.256 -31.264 5.879 1.00 0.00 N ATOM 1128 CA THR A 72 3.095 -32.505 5.126 1.00 0.00 C ATOM 1129 C THR A 72 2.638 -33.707 5.950 1.00 0.00 C ATOM 1130 O THR A 72 2.266 -34.707 5.341 1.00 0.00 O ATOM 1131 CB THR A 72 4.400 -32.892 4.432 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.554 -32.308 4.988 1.00 0.00 O ATOM 1133 CG2 THR A 72 4.389 -32.547 2.945 1.00 0.00 C ATOM 0 H THR A 72 3.968 -31.338 6.605 1.00 0.00 H new ATOM 0 HA THR A 72 2.304 -32.278 4.411 1.00 0.00 H new ATOM 0 HB THR A 72 4.450 -33.970 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.597 -31.362 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.338 -32.841 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.575 -33.080 2.454 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.247 -31.473 2.822 1.00 0.00 H new ATOM 1141 N ALA A 73 2.590 -33.661 7.285 1.00 0.00 N ATOM 1142 CA ALA A 73 2.106 -34.812 8.079 1.00 0.00 C ATOM 1143 C ALA A 73 0.710 -35.297 7.629 1.00 0.00 C ATOM 1144 O ALA A 73 0.428 -36.495 7.610 1.00 0.00 O ATOM 1145 CB ALA A 73 2.116 -34.482 9.574 1.00 0.00 C ATOM 0 H ALA A 73 2.875 -32.854 7.840 1.00 0.00 H new ATOM 0 HA ALA A 73 2.797 -35.636 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.756 -35.342 10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.132 -34.242 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.467 -33.627 9.762 1.00 0.00 H new ATOM 1151 N CYS A 74 -0.099 -34.366 7.110 1.00 0.00 N ATOM 1152 CA CYS A 74 -1.373 -34.597 6.426 1.00 0.00 C ATOM 1153 C CYS A 74 -1.377 -35.749 5.400 1.00 0.00 C ATOM 1154 O CYS A 74 -2.406 -36.391 5.207 1.00 0.00 O ATOM 1155 CB CYS A 74 -1.733 -33.272 5.745 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.606 -32.900 4.376 1.00 0.00 S ATOM 0 H CYS A 74 0.133 -33.374 7.160 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.104 -34.916 7.169 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.756 -33.320 5.372 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.697 -32.465 6.476 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.001 -31.772 4.606 1.00 0.00 H new ATOM 1162 N GLN A 75 -0.228 -36.037 4.772 1.00 0.00 N ATOM 1163 CA GLN A 75 -0.070 -36.992 3.675 1.00 0.00 C ATOM 1164 C GLN A 75 0.491 -38.353 4.129 1.00 0.00 C ATOM 1165 O GLN A 75 0.679 -39.260 3.318 1.00 0.00 O ATOM 1166 CB GLN A 75 0.788 -36.303 2.599 1.00 0.00 C ATOM 1167 CG GLN A 75 2.313 -36.366 2.814 1.00 0.00 C ATOM 1168 CD GLN A 75 3.056 -37.177 1.750 1.00 0.00 C ATOM 1169 OE1 GLN A 75 3.874 -36.667 1.002 1.00 0.00 O ATOM 1170 NE2 GLN A 75 2.787 -38.457 1.607 1.00 0.00 N ATOM 0 H GLN A 75 0.652 -35.590 5.029 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.044 -37.252 3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.557 -36.754 1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.491 -35.256 2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.711 -35.351 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.514 -36.799 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.107 -38.907 2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.259 -38.999 0.883 1.00 0.00 H new