USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 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 36 HIS : no HD1:sc= -0.361 X(o=-1.4,f=-0.97) USER MOD Set 1.2: A 47 THR OG1 : rot 171:sc= -0.999 USER MOD Single : A 16 TYR OH : rot 169:sc= 0.282 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -70:sc= 0.926 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.33) USER MOD Single : A 44 MET CE :methyl -167:sc= -0.0179 (180deg=-0.272) USER MOD Single : A 48 ASN : amide:sc= -0.595 K(o=-0.59,f=-8.2!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 54 GLN : amide:sc= -5.78! C(o=-5.8!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -6.528 9.592 -1.260 1.00 0.00 N ATOM 67 CA ARG A 8 -5.084 9.717 -1.413 1.00 0.00 C ATOM 68 C ARG A 8 -4.501 8.486 -2.101 1.00 0.00 C ATOM 69 O ARG A 8 -4.617 7.368 -1.598 1.00 0.00 O ATOM 70 CB ARG A 8 -4.420 9.914 -0.049 1.00 0.00 C ATOM 71 CG ARG A 8 -2.982 9.425 0.004 1.00 0.00 C ATOM 72 CD ARG A 8 -2.417 9.510 1.414 1.00 0.00 C ATOM 73 NE ARG A 8 -1.830 10.819 1.690 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.534 11.868 2.099 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.844 11.763 2.279 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.928 13.026 2.330 1.00 0.00 N ATOM 0 HA ARG A 8 -4.885 10.589 -2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.445 10.973 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.002 9.389 0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.934 8.394 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.369 10.021 -0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.209 9.309 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.660 8.737 1.548 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.825 10.933 1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.313 10.875 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.382 12.571 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.921 13.111 2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.470 13.831 2.644 1.00 0.00 H new ATOM 90 N ARG A 9 -3.876 8.699 -3.255 1.00 0.00 N ATOM 91 CA ARG A 9 -3.277 7.607 -4.012 1.00 0.00 C ATOM 92 C ARG A 9 -1.856 7.328 -3.533 1.00 0.00 C ATOM 93 O ARG A 9 -1.084 8.252 -3.276 1.00 0.00 O ATOM 94 CB ARG A 9 -3.267 7.939 -5.505 1.00 0.00 C ATOM 95 CG ARG A 9 -2.929 6.752 -6.391 1.00 0.00 C ATOM 96 CD ARG A 9 -3.605 6.858 -7.749 1.00 0.00 C ATOM 97 NE ARG A 9 -5.050 6.670 -7.657 1.00 0.00 N ATOM 98 CZ ARG A 9 -5.911 7.132 -8.558 1.00 0.00 C ATOM 99 NH1 ARG A 9 -5.473 7.806 -9.612 1.00 0.00 N ATOM 100 NH2 ARG A 9 -7.211 6.920 -8.404 1.00 0.00 N ATOM 0 H ARG A 9 -3.772 9.618 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.879 6.713 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.246 8.326 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.544 8.735 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.849 6.693 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.240 5.830 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.394 7.835 -8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.184 6.111 -8.423 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.419 6.156 -6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.474 7.971 -9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.135 8.160 -10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.551 6.402 -7.594 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.871 7.275 -9.096 1.00 0.00 H new ATOM 114 N VAL A 10 -1.517 6.048 -3.415 1.00 0.00 N ATOM 115 CA VAL A 10 -0.189 5.647 -2.967 1.00 0.00 C ATOM 116 C VAL A 10 0.365 4.518 -3.829 1.00 0.00 C ATOM 117 O VAL A 10 -0.375 3.868 -4.567 1.00 0.00 O ATOM 118 CB VAL A 10 -0.206 5.193 -1.495 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.552 6.358 -0.580 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.185 4.045 -1.304 1.00 0.00 C ATOM 0 H VAL A 10 -2.144 5.271 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 10 0.454 6.522 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 10 0.790 4.839 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.559 6.018 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.191 7.146 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.537 6.746 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.185 3.737 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.186 4.370 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.887 3.204 -1.930 1.00 0.00 H new ATOM 130 N ARG A 11 1.670 4.291 -3.731 1.00 0.00 N ATOM 131 CA ARG A 11 2.324 3.241 -4.503 1.00 0.00 C ATOM 132 C ARG A 11 3.285 2.442 -3.628 1.00 0.00 C ATOM 133 O ARG A 11 3.889 2.979 -2.701 1.00 0.00 O ATOM 134 CB ARG A 11 3.078 3.845 -5.689 1.00 0.00 C ATOM 135 CG ARG A 11 3.974 2.851 -6.410 1.00 0.00 C ATOM 136 CD ARG A 11 4.975 3.556 -7.312 1.00 0.00 C ATOM 137 NE ARG A 11 4.438 4.799 -7.859 1.00 0.00 N ATOM 138 CZ ARG A 11 5.185 5.725 -8.450 1.00 0.00 C ATOM 139 NH1 ARG A 11 6.494 5.549 -8.570 1.00 0.00 N ATOM 140 NH2 ARG A 11 4.623 6.830 -8.923 1.00 0.00 N ATOM 0 H ARG A 11 2.296 4.820 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 11 1.554 2.566 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.357 4.252 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.685 4.679 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.507 2.243 -5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.362 2.172 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.883 3.770 -6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.257 2.892 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 11 3.435 4.965 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.930 4.701 -8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.065 6.262 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.617 6.969 -8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.197 7.540 -9.377 1.00 0.00 H new ATOM 154 N ALA A 12 3.421 1.155 -3.930 1.00 0.00 N ATOM 155 CA ALA A 12 4.309 0.282 -3.173 1.00 0.00 C ATOM 156 C ALA A 12 5.728 0.324 -3.732 1.00 0.00 C ATOM 157 O ALA A 12 5.995 -0.202 -4.813 1.00 0.00 O ATOM 158 CB ALA A 12 3.780 -1.145 -3.180 1.00 0.00 C ATOM 0 H ALA A 12 2.927 0.694 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 12 4.340 0.641 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.454 -1.786 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.789 -1.168 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.718 -1.505 -4.207 1.00 0.00 H new ATOM 164 N ILE A 13 6.632 0.954 -2.990 1.00 0.00 N ATOM 165 CA ILE A 13 8.023 1.064 -3.412 1.00 0.00 C ATOM 166 C ILE A 13 8.710 -0.298 -3.403 1.00 0.00 C ATOM 167 O ILE A 13 9.757 -0.482 -4.026 1.00 0.00 O ATOM 168 CB ILE A 13 8.811 2.030 -2.508 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.692 1.603 -1.043 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.312 3.455 -2.693 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.860 2.042 -0.189 1.00 0.00 C ATOM 0 H ILE A 13 6.426 1.396 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 13 8.014 1.457 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 13 9.863 1.995 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.773 2.015 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.605 0.518 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.879 4.126 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.444 3.755 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.255 3.507 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.708 1.705 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.780 1.609 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.935 3.129 -0.206 1.00 0.00 H new ATOM 183 N LEU A 14 8.113 -1.250 -2.695 1.00 0.00 N ATOM 184 CA LEU A 14 8.666 -2.597 -2.606 1.00 0.00 C ATOM 185 C LEU A 14 7.562 -3.625 -2.382 1.00 0.00 C ATOM 186 O LEU A 14 6.492 -3.319 -1.854 1.00 0.00 O ATOM 187 CB LEU A 14 9.690 -2.676 -1.472 1.00 0.00 C ATOM 188 CG LEU A 14 11.109 -2.222 -1.817 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.933 -2.042 -0.552 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.775 -3.219 -2.753 1.00 0.00 C ATOM 0 H LEU A 14 7.246 -1.114 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 14 9.161 -2.823 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.329 -2.071 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.735 -3.707 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 14 11.049 -1.260 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.940 -1.719 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.465 -1.289 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.985 -2.989 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.784 -2.880 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.824 -4.195 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.195 -3.298 -3.673 1.00 0.00 H new ATOM 202 N PRO A 15 7.825 -4.876 -2.789 1.00 0.00 N ATOM 203 CA PRO A 15 6.867 -5.975 -2.641 1.00 0.00 C ATOM 204 C PRO A 15 6.677 -6.385 -1.184 1.00 0.00 C ATOM 205 O PRO A 15 7.497 -6.060 -0.325 1.00 0.00 O ATOM 206 CB PRO A 15 7.508 -7.114 -3.437 1.00 0.00 C ATOM 207 CG PRO A 15 8.966 -6.812 -3.424 1.00 0.00 C ATOM 208 CD PRO A 15 9.079 -5.313 -3.426 1.00 0.00 C ATOM 0 HA PRO A 15 5.872 -5.699 -2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.300 -8.082 -2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.121 -7.152 -4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.445 -7.238 -2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.461 -7.242 -4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.952 -4.975 -2.868 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.175 -4.918 -4.438 1.00 0.00 H new ATOM 216 N TYR A 16 5.591 -7.102 -0.913 1.00 0.00 N ATOM 217 CA TYR A 16 5.293 -7.555 0.440 1.00 0.00 C ATOM 218 C TYR A 16 4.267 -8.684 0.423 1.00 0.00 C ATOM 219 O TYR A 16 3.257 -8.612 -0.278 1.00 0.00 O ATOM 220 CB TYR A 16 4.773 -6.392 1.287 1.00 0.00 C ATOM 221 CG TYR A 16 4.258 -6.814 2.644 1.00 0.00 C ATOM 222 CD1 TYR A 16 5.131 -7.042 3.700 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.898 -6.985 2.870 1.00 0.00 C ATOM 224 CE1 TYR A 16 4.665 -7.429 4.942 1.00 0.00 C ATOM 225 CE2 TYR A 16 2.422 -7.369 4.109 1.00 0.00 C ATOM 226 CZ TYR A 16 3.310 -7.590 5.142 1.00 0.00 C ATOM 227 OH TYR A 16 2.841 -7.975 6.377 1.00 0.00 O ATOM 0 H TYR A 16 4.903 -7.381 -1.613 1.00 0.00 H new ATOM 0 HA TYR A 16 6.216 -7.933 0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.574 -5.665 1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.973 -5.888 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.193 -6.915 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.201 -6.815 2.063 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.358 -7.604 5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.361 -7.495 4.268 1.00 0.00 H new ATOM 0 HH TYR A 16 1.866 -7.879 6.401 1.00 0.00 H new ATOM 237 N THR A 17 4.534 -9.729 1.201 1.00 0.00 N ATOM 238 CA THR A 17 3.637 -10.875 1.276 1.00 0.00 C ATOM 239 C THR A 17 2.640 -10.719 2.419 1.00 0.00 C ATOM 240 O THR A 17 3.026 -10.512 3.569 1.00 0.00 O ATOM 241 CB THR A 17 4.418 -12.188 1.467 1.00 0.00 C ATOM 242 OG1 THR A 17 5.543 -12.222 0.582 1.00 0.00 O ATOM 243 CG2 THR A 17 3.525 -13.392 1.205 1.00 0.00 C ATOM 0 H THR A 17 5.365 -9.805 1.788 1.00 0.00 H new ATOM 0 HA THR A 17 3.097 -10.916 0.330 1.00 0.00 H new ATOM 0 HB THR A 17 4.766 -12.231 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.035 -13.059 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.099 -14.308 1.346 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.685 -13.380 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.151 -13.352 0.182 1.00 0.00 H new ATOM 251 N LYS A 18 1.355 -10.819 2.095 1.00 0.00 N ATOM 252 CA LYS A 18 0.302 -10.691 3.095 1.00 0.00 C ATOM 253 C LYS A 18 0.359 -11.841 4.096 1.00 0.00 C ATOM 254 O LYS A 18 1.086 -12.815 3.897 1.00 0.00 O ATOM 255 CB LYS A 18 -1.070 -10.658 2.419 1.00 0.00 C ATOM 256 CG LYS A 18 -1.506 -12.002 1.861 1.00 0.00 C ATOM 257 CD LYS A 18 -3.019 -12.141 1.859 1.00 0.00 C ATOM 258 CE LYS A 18 -3.535 -12.653 3.195 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.886 -13.266 3.070 1.00 0.00 N ATOM 0 H LYS A 18 1.018 -10.988 1.147 1.00 0.00 H new ATOM 0 HA LYS A 18 0.458 -9.756 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.813 -10.315 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.050 -9.928 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.128 -12.115 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.067 -12.803 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.474 -11.175 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.321 -12.824 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.838 -13.389 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.574 -11.830 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.202 -13.602 4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.557 -12.557 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.844 -14.068 2.409 1.00 0.00 H new ATOM 273 N VAL A 19 -0.412 -11.722 5.172 1.00 0.00 N ATOM 274 CA VAL A 19 -0.451 -12.752 6.203 1.00 0.00 C ATOM 275 C VAL A 19 -1.776 -13.506 6.177 1.00 0.00 C ATOM 276 O VAL A 19 -2.847 -12.923 6.007 1.00 0.00 O ATOM 277 CB VAL A 19 -0.242 -12.151 7.606 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.372 -13.227 8.673 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.112 -11.463 7.694 1.00 0.00 C ATOM 0 H VAL A 19 -1.018 -10.922 5.352 1.00 0.00 H new ATOM 0 HA VAL A 19 0.362 -13.445 5.988 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.016 -11.404 7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.221 -12.784 9.657 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.366 -13.670 8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.378 -13.999 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.243 -11.044 8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.902 -12.188 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.162 -10.663 6.955 1.00 0.00 H new ATOM 289 N PRO A 20 -1.704 -14.834 6.351 1.00 0.00 N ATOM 290 CA PRO A 20 -2.889 -15.697 6.353 1.00 0.00 C ATOM 291 C PRO A 20 -3.760 -15.483 7.587 1.00 0.00 C ATOM 292 O PRO A 20 -3.267 -15.097 8.646 1.00 0.00 O ATOM 293 CB PRO A 20 -2.300 -17.109 6.352 1.00 0.00 C ATOM 294 CG PRO A 20 -0.951 -16.957 6.967 1.00 0.00 C ATOM 295 CD PRO A 20 -0.461 -15.595 6.559 1.00 0.00 C ATOM 0 HA PRO A 20 -3.543 -15.493 5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.921 -17.797 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.231 -17.509 5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.005 -17.043 8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.273 -17.736 6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.162 -15.144 7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.140 -15.639 5.651 1.00 0.00 H new ATOM 303 N ASP A 21 -5.055 -15.739 7.442 1.00 0.00 N ATOM 304 CA ASP A 21 -5.994 -15.576 8.546 1.00 0.00 C ATOM 305 C ASP A 21 -6.079 -14.115 8.977 1.00 0.00 C ATOM 306 O ASP A 21 -6.119 -13.809 10.169 1.00 0.00 O ATOM 307 CB ASP A 21 -5.576 -16.447 9.732 1.00 0.00 C ATOM 308 CG ASP A 21 -4.849 -17.704 9.299 1.00 0.00 C ATOM 309 OD1 ASP A 21 -5.328 -18.372 8.358 1.00 0.00 O ATOM 310 OD2 ASP A 21 -3.801 -18.022 9.900 1.00 0.00 O ATOM 0 H ASP A 21 -5.479 -16.060 6.571 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.979 -15.892 8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.932 -15.869 10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.460 -16.722 10.307 1.00 0.00 H new ATOM 315 N THR A 22 -6.106 -13.215 7.998 1.00 0.00 N ATOM 316 CA THR A 22 -6.183 -11.787 8.275 1.00 0.00 C ATOM 317 C THR A 22 -6.739 -11.024 7.078 1.00 0.00 C ATOM 318 O THR A 22 -6.991 -11.605 6.022 1.00 0.00 O ATOM 319 CB THR A 22 -4.803 -11.209 8.641 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.918 -11.309 7.520 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.206 -11.946 9.831 1.00 0.00 C ATOM 0 H THR A 22 -6.076 -13.451 7.006 1.00 0.00 H new ATOM 0 HA THR A 22 -6.855 -11.667 9.124 1.00 0.00 H new ATOM 0 HB THR A 22 -4.932 -10.161 8.910 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.688 -12.249 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.232 -11.520 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.868 -11.845 10.691 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.090 -13.001 9.584 1.00 0.00 H new ATOM 329 N ASP A 23 -6.928 -9.720 7.250 1.00 0.00 N ATOM 330 CA ASP A 23 -7.453 -8.877 6.182 1.00 0.00 C ATOM 331 C ASP A 23 -6.321 -8.190 5.425 1.00 0.00 C ATOM 332 O ASP A 23 -6.513 -7.131 4.829 1.00 0.00 O ATOM 333 CB ASP A 23 -8.409 -7.829 6.754 1.00 0.00 C ATOM 334 CG ASP A 23 -9.831 -8.344 6.871 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.010 -9.489 7.336 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.763 -7.603 6.496 1.00 0.00 O ATOM 0 H ASP A 23 -6.726 -9.224 8.118 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.998 -9.514 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.056 -7.518 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.397 -6.945 6.117 1.00 0.00 H new ATOM 341 N GLU A 24 -5.140 -8.801 5.454 1.00 0.00 N ATOM 342 CA GLU A 24 -3.977 -8.247 4.772 1.00 0.00 C ATOM 343 C GLU A 24 -3.981 -8.626 3.294 1.00 0.00 C ATOM 344 O GLU A 24 -4.610 -9.607 2.896 1.00 0.00 O ATOM 345 CB GLU A 24 -2.688 -8.741 5.432 1.00 0.00 C ATOM 346 CG GLU A 24 -2.513 -8.257 6.862 1.00 0.00 C ATOM 347 CD GLU A 24 -1.060 -8.231 7.295 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.231 -7.660 6.555 1.00 0.00 O ATOM 349 OE2 GLU A 24 -0.751 -8.780 8.373 1.00 0.00 O ATOM 0 H GLU A 24 -4.964 -9.679 5.942 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.025 -7.161 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.679 -9.831 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.836 -8.410 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.935 -7.256 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.077 -8.905 7.533 1.00 0.00 H new ATOM 356 N ILE A 25 -3.277 -7.841 2.486 1.00 0.00 N ATOM 357 CA ILE A 25 -3.199 -8.093 1.053 1.00 0.00 C ATOM 358 C ILE A 25 -1.767 -7.954 0.547 1.00 0.00 C ATOM 359 O ILE A 25 -0.992 -7.149 1.062 1.00 0.00 O ATOM 360 CB ILE A 25 -4.107 -7.133 0.261 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.848 -5.686 0.686 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.569 -7.497 0.466 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.118 -4.677 -0.408 1.00 0.00 C ATOM 0 H ILE A 25 -2.752 -7.025 2.800 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.540 -9.116 0.894 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.875 -7.228 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.473 -5.452 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.811 -5.591 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.198 -6.810 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.742 -8.516 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.816 -7.427 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.913 -3.673 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.474 -4.886 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.162 -4.744 -0.715 1.00 0.00 H new ATOM 375 N SER A 26 -1.424 -8.744 -0.466 1.00 0.00 N ATOM 376 CA SER A 26 -0.084 -8.711 -1.041 1.00 0.00 C ATOM 377 C SER A 26 -0.027 -7.757 -2.230 1.00 0.00 C ATOM 378 O SER A 26 -1.015 -7.574 -2.942 1.00 0.00 O ATOM 379 CB SER A 26 0.341 -10.114 -1.477 1.00 0.00 C ATOM 380 OG SER A 26 -0.152 -10.418 -2.770 1.00 0.00 O ATOM 0 H SER A 26 -2.055 -9.414 -0.905 1.00 0.00 H new ATOM 0 HA SER A 26 0.605 -8.352 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.429 -10.185 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.029 -10.848 -0.761 1.00 0.00 H new ATOM 0 HG SER A 26 0.135 -11.319 -3.026 1.00 0.00 H new ATOM 386 N PHE A 27 1.137 -7.151 -2.439 1.00 0.00 N ATOM 387 CA PHE A 27 1.324 -6.215 -3.542 1.00 0.00 C ATOM 388 C PHE A 27 2.723 -6.347 -4.136 1.00 0.00 C ATOM 389 O PHE A 27 3.641 -6.851 -3.487 1.00 0.00 O ATOM 390 CB PHE A 27 1.095 -4.779 -3.064 1.00 0.00 C ATOM 391 CG PHE A 27 1.571 -4.531 -1.661 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.836 -4.983 -0.576 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.752 -3.846 -1.426 1.00 0.00 C ATOM 394 CE1 PHE A 27 1.271 -4.756 0.716 1.00 0.00 C ATOM 395 CE2 PHE A 27 3.192 -3.616 -0.137 1.00 0.00 C ATOM 396 CZ PHE A 27 2.451 -4.072 0.936 1.00 0.00 C ATOM 0 H PHE A 27 1.965 -7.291 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 27 0.595 -6.454 -4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.607 -4.094 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.031 -4.550 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.087 -5.519 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.336 -3.487 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.689 -5.113 1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.114 -3.080 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.793 -3.894 1.945 1.00 0.00 H new ATOM 406 N LEU A 28 2.879 -5.893 -5.374 1.00 0.00 N ATOM 407 CA LEU A 28 4.166 -5.960 -6.058 1.00 0.00 C ATOM 408 C LEU A 28 4.711 -4.562 -6.333 1.00 0.00 C ATOM 409 O LEU A 28 3.950 -3.611 -6.510 1.00 0.00 O ATOM 410 CB LEU A 28 4.027 -6.733 -7.371 1.00 0.00 C ATOM 411 CG LEU A 28 3.449 -8.144 -7.262 1.00 0.00 C ATOM 412 CD1 LEU A 28 2.993 -8.641 -8.625 1.00 0.00 C ATOM 413 CD2 LEU A 28 4.474 -9.095 -6.662 1.00 0.00 C ATOM 0 H LEU A 28 2.130 -5.474 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 28 4.869 -6.482 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.395 -6.154 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.011 -6.800 -7.836 1.00 0.00 H new ATOM 0 HG LEU A 28 2.583 -8.111 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.585 -9.647 -8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.225 -7.974 -9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.842 -8.659 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.045 -10.095 -6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.359 -9.123 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.752 -8.749 -5.667 1.00 0.00 H new ATOM 425 N LYS A 29 6.034 -4.446 -6.368 1.00 0.00 N ATOM 426 CA LYS A 29 6.683 -3.165 -6.625 1.00 0.00 C ATOM 427 C LYS A 29 6.056 -2.469 -7.828 1.00 0.00 C ATOM 428 O LYS A 29 6.029 -3.016 -8.930 1.00 0.00 O ATOM 429 CB LYS A 29 8.181 -3.368 -6.863 1.00 0.00 C ATOM 430 CG LYS A 29 9.015 -2.132 -6.572 1.00 0.00 C ATOM 431 CD LYS A 29 10.488 -2.374 -6.860 1.00 0.00 C ATOM 432 CE LYS A 29 11.265 -1.068 -6.923 1.00 0.00 C ATOM 433 NZ LYS A 29 12.733 -1.290 -6.816 1.00 0.00 N ATOM 0 H LYS A 29 6.678 -5.223 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 29 6.543 -2.533 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.532 -4.189 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.339 -3.667 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.657 -1.299 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.890 -1.845 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.911 -3.013 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.592 -2.907 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.042 -0.558 -7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.937 -0.411 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.227 -0.376 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.949 -1.754 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.051 -1.896 -7.600 1.00 0.00 H new ATOM 447 N GLY A 30 5.553 -1.257 -7.610 1.00 0.00 N ATOM 448 CA GLY A 30 4.935 -0.506 -8.687 1.00 0.00 C ATOM 449 C GLY A 30 3.422 -0.607 -8.670 1.00 0.00 C ATOM 450 O GLY A 30 2.758 -0.230 -9.635 1.00 0.00 O ATOM 0 H GLY A 30 5.563 -0.783 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.227 0.541 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.310 -0.872 -9.643 1.00 0.00 H new ATOM 454 N ASP A 31 2.877 -1.118 -7.572 1.00 0.00 N ATOM 455 CA ASP A 31 1.434 -1.268 -7.433 1.00 0.00 C ATOM 456 C ASP A 31 0.819 -0.032 -6.784 1.00 0.00 C ATOM 457 O ASP A 31 1.412 0.573 -5.891 1.00 0.00 O ATOM 458 CB ASP A 31 1.106 -2.510 -6.604 1.00 0.00 C ATOM 459 CG ASP A 31 0.989 -3.760 -7.455 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.873 -3.981 -8.308 1.00 0.00 O ATOM 461 OD2 ASP A 31 0.013 -4.516 -7.269 1.00 0.00 O ATOM 0 H ASP A 31 3.413 -1.436 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 31 1.008 -1.383 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.882 -2.657 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.170 -2.349 -6.069 1.00 0.00 H new ATOM 466 N MET A 32 -0.373 0.339 -7.241 1.00 0.00 N ATOM 467 CA MET A 32 -1.069 1.503 -6.704 1.00 0.00 C ATOM 468 C MET A 32 -2.245 1.079 -5.830 1.00 0.00 C ATOM 469 O MET A 32 -2.540 -0.109 -5.703 1.00 0.00 O ATOM 470 CB MET A 32 -1.561 2.399 -7.842 1.00 0.00 C ATOM 471 CG MET A 32 -0.520 3.396 -8.325 1.00 0.00 C ATOM 472 SD MET A 32 -1.122 4.433 -9.672 1.00 0.00 S ATOM 473 CE MET A 32 0.381 5.285 -10.142 1.00 0.00 C ATOM 0 H MET A 32 -0.877 -0.149 -7.981 1.00 0.00 H new ATOM 0 HA MET A 32 -0.366 2.063 -6.088 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.868 1.773 -8.680 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.445 2.942 -7.509 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.216 4.030 -7.492 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.368 2.857 -8.656 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.171 5.966 -10.967 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.759 5.852 -9.291 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.130 4.557 -10.454 1.00 0.00 H new ATOM 483 N PHE A 33 -2.912 2.059 -5.229 1.00 0.00 N ATOM 484 CA PHE A 33 -4.055 1.786 -4.365 1.00 0.00 C ATOM 485 C PHE A 33 -4.891 3.046 -4.155 1.00 0.00 C ATOM 486 O PHE A 33 -4.567 4.112 -4.679 1.00 0.00 O ATOM 487 CB PHE A 33 -3.584 1.243 -3.015 1.00 0.00 C ATOM 488 CG PHE A 33 -2.407 0.315 -3.121 1.00 0.00 C ATOM 489 CD1 PHE A 33 -1.136 0.811 -3.361 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.572 -1.054 -2.979 1.00 0.00 C ATOM 491 CE1 PHE A 33 -0.052 -0.041 -3.459 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.492 -1.910 -3.076 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.230 -1.403 -3.315 1.00 0.00 C ATOM 0 H PHE A 33 -2.681 3.048 -5.324 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.676 1.035 -4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.320 2.079 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.410 0.717 -2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.990 1.875 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.556 -1.456 -2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.934 0.358 -3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.635 -2.975 -2.965 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.616 -2.070 -3.389 1.00 0.00 H new ATOM 503 N ILE A 34 -5.966 2.914 -3.387 1.00 0.00 N ATOM 504 CA ILE A 34 -6.848 4.041 -3.107 1.00 0.00 C ATOM 505 C ILE A 34 -7.161 4.137 -1.618 1.00 0.00 C ATOM 506 O ILE A 34 -8.009 3.408 -1.103 1.00 0.00 O ATOM 507 CB ILE A 34 -8.168 3.931 -3.892 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.886 3.747 -5.385 1.00 0.00 C ATOM 509 CG2 ILE A 34 -9.027 5.165 -3.659 1.00 0.00 C ATOM 510 CD1 ILE A 34 -9.081 3.253 -6.169 1.00 0.00 C ATOM 0 H ILE A 34 -6.248 2.038 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.321 4.941 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.714 3.058 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.555 4.697 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.065 3.041 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.957 5.072 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.252 5.256 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.488 6.052 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.808 3.146 -7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.400 2.287 -5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.897 3.969 -6.078 1.00 0.00 H new ATOM 522 N VAL A 35 -6.472 5.043 -0.931 1.00 0.00 N ATOM 523 CA VAL A 35 -6.679 5.237 0.499 1.00 0.00 C ATOM 524 C VAL A 35 -8.117 5.648 0.796 1.00 0.00 C ATOM 525 O VAL A 35 -8.530 6.767 0.492 1.00 0.00 O ATOM 526 CB VAL A 35 -5.725 6.306 1.064 1.00 0.00 C ATOM 527 CG1 VAL A 35 -6.170 6.740 2.452 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.297 5.782 1.093 1.00 0.00 C ATOM 0 H VAL A 35 -5.766 5.654 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.470 4.282 0.981 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.756 7.178 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.484 7.495 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.175 7.157 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.170 5.879 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.636 6.550 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.248 4.894 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.983 5.526 0.081 1.00 0.00 H new ATOM 538 N HIS A 36 -8.877 4.734 1.392 1.00 0.00 N ATOM 539 CA HIS A 36 -10.270 5.002 1.732 1.00 0.00 C ATOM 540 C HIS A 36 -10.402 5.421 3.192 1.00 0.00 C ATOM 541 O HIS A 36 -11.044 6.423 3.505 1.00 0.00 O ATOM 542 CB HIS A 36 -11.128 3.765 1.464 1.00 0.00 C ATOM 543 CG HIS A 36 -11.196 3.385 0.017 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.826 4.158 -0.936 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.707 2.307 -0.639 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.723 3.571 -2.115 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.048 2.446 -1.962 1.00 0.00 N ATOM 0 H HIS A 36 -8.552 3.802 1.649 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.621 5.822 1.105 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.728 2.926 2.033 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.138 3.947 1.831 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.152 1.490 -0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.123 3.947 -3.045 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.817 1.787 -2.706 1.00 0.00 H new ATOM 555 N ASN A 37 -9.791 4.647 4.083 1.00 0.00 N ATOM 556 CA ASN A 37 -9.842 4.937 5.511 1.00 0.00 C ATOM 557 C ASN A 37 -8.447 5.231 6.057 1.00 0.00 C ATOM 558 O ASN A 37 -7.508 4.469 5.828 1.00 0.00 O ATOM 559 CB ASN A 37 -10.462 3.762 6.270 1.00 0.00 C ATOM 560 CG ASN A 37 -11.192 4.204 7.524 1.00 0.00 C ATOM 561 OD1 ASN A 37 -11.992 5.139 7.492 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.919 3.531 8.636 1.00 0.00 N ATOM 0 H ASN A 37 -9.255 3.814 3.841 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.463 5.821 5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.156 3.236 5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.679 3.053 6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.380 3.783 9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.249 2.763 8.615 1.00 0.00 H new ATOM 569 N GLU A 38 -8.322 6.339 6.779 1.00 0.00 N ATOM 570 CA GLU A 38 -7.042 6.733 7.357 1.00 0.00 C ATOM 571 C GLU A 38 -6.993 6.403 8.846 1.00 0.00 C ATOM 572 O GLU A 38 -7.576 7.110 9.670 1.00 0.00 O ATOM 573 CB GLU A 38 -6.801 8.229 7.146 1.00 0.00 C ATOM 574 CG GLU A 38 -6.618 8.617 5.689 1.00 0.00 C ATOM 575 CD GLU A 38 -5.980 9.983 5.524 1.00 0.00 C ATOM 576 OE1 GLU A 38 -4.812 10.145 5.937 1.00 0.00 O ATOM 577 OE2 GLU A 38 -6.647 10.888 4.982 1.00 0.00 O ATOM 0 H GLU A 38 -9.090 6.980 6.978 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.256 6.171 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.643 8.786 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.916 8.528 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.000 7.869 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.587 8.610 5.191 1.00 0.00 H new ATOM 584 N LEU A 39 -6.294 5.326 9.185 1.00 0.00 N ATOM 585 CA LEU A 39 -6.168 4.901 10.575 1.00 0.00 C ATOM 586 C LEU A 39 -5.077 5.692 11.289 1.00 0.00 C ATOM 587 O LEU A 39 -4.453 6.575 10.703 1.00 0.00 O ATOM 588 CB LEU A 39 -5.858 3.405 10.645 1.00 0.00 C ATOM 589 CG LEU A 39 -6.948 2.468 10.122 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.293 2.817 10.740 1.00 0.00 C ATOM 591 CD2 LEU A 39 -7.023 2.533 8.603 1.00 0.00 C ATOM 0 H LEU A 39 -5.805 4.731 8.516 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.117 5.093 11.076 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.944 3.217 10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.651 3.145 11.683 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.693 1.448 10.410 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.056 2.140 10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.232 2.718 11.824 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.556 3.843 10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.804 1.860 8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.254 3.552 8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.065 2.233 8.178 1.00 0.00 H new ATOM 603 N GLU A 40 -4.853 5.367 12.559 1.00 0.00 N ATOM 604 CA GLU A 40 -3.836 6.047 13.352 1.00 0.00 C ATOM 605 C GLU A 40 -2.658 5.120 13.637 1.00 0.00 C ATOM 606 O GLU A 40 -1.499 5.501 13.471 1.00 0.00 O ATOM 607 CB GLU A 40 -4.435 6.548 14.668 1.00 0.00 C ATOM 608 CG GLU A 40 -5.618 7.482 14.481 1.00 0.00 C ATOM 609 CD GLU A 40 -5.196 8.922 14.260 1.00 0.00 C ATOM 610 OE1 GLU A 40 -4.363 9.165 13.361 1.00 0.00 O ATOM 611 OE2 GLU A 40 -5.699 9.805 14.985 1.00 0.00 O ATOM 0 H GLU A 40 -5.362 4.638 13.060 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.474 6.900 12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.750 5.691 15.264 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.661 7.064 15.236 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.210 7.146 13.630 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.262 7.427 15.359 1.00 0.00 H new ATOM 618 N ASP A 41 -2.963 3.901 14.068 1.00 0.00 N ATOM 619 CA ASP A 41 -1.931 2.918 14.376 1.00 0.00 C ATOM 620 C ASP A 41 -0.808 2.967 13.344 1.00 0.00 C ATOM 621 O ASP A 41 0.346 2.672 13.653 1.00 0.00 O ATOM 622 CB ASP A 41 -2.533 1.513 14.426 1.00 0.00 C ATOM 623 CG ASP A 41 -3.177 1.206 15.763 1.00 0.00 C ATOM 624 OD1 ASP A 41 -2.567 1.530 16.803 1.00 0.00 O ATOM 625 OD2 ASP A 41 -4.292 0.642 15.770 1.00 0.00 O ATOM 0 H ASP A 41 -3.917 3.570 14.212 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.513 3.161 15.353 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.277 1.411 13.636 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.752 0.779 14.225 1.00 0.00 H new ATOM 630 N GLY A 42 -1.156 3.341 12.116 1.00 0.00 N ATOM 631 CA GLY A 42 -0.166 3.421 11.057 1.00 0.00 C ATOM 632 C GLY A 42 -0.555 2.608 9.838 1.00 0.00 C ATOM 633 O GLY A 42 0.307 2.142 9.094 1.00 0.00 O ATOM 0 H GLY A 42 -2.105 3.590 11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.032 4.463 10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.794 3.069 11.434 1.00 0.00 H new ATOM 637 N TRP A 43 -1.857 2.438 9.634 1.00 0.00 N ATOM 638 CA TRP A 43 -2.358 1.674 8.497 1.00 0.00 C ATOM 639 C TRP A 43 -3.393 2.476 7.716 1.00 0.00 C ATOM 640 O TRP A 43 -3.859 3.518 8.176 1.00 0.00 O ATOM 641 CB TRP A 43 -2.969 0.355 8.972 1.00 0.00 C ATOM 642 CG TRP A 43 -2.039 -0.460 9.819 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.573 -0.141 11.063 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.461 -1.726 9.484 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.740 -1.134 11.521 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.656 -2.117 10.572 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.547 -2.568 8.372 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.058 -3.313 10.577 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.838 -3.754 8.379 1.00 0.00 C ATOM 650 CH2 TRP A 43 -0.045 -4.118 9.475 1.00 0.00 C ATOM 0 H TRP A 43 -2.584 2.818 10.240 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.518 1.460 7.836 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.875 0.566 9.540 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.267 -0.233 8.104 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.822 0.758 11.606 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.262 -1.138 12.422 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.156 -2.297 7.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.671 -3.595 11.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.896 -4.412 7.525 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.496 -5.052 9.450 1.00 0.00 H new ATOM 661 N MET A 44 -3.748 1.984 6.534 1.00 0.00 N ATOM 662 CA MET A 44 -4.730 2.656 5.690 1.00 0.00 C ATOM 663 C MET A 44 -5.476 1.651 4.818 1.00 0.00 C ATOM 664 O MET A 44 -4.870 0.947 4.010 1.00 0.00 O ATOM 665 CB MET A 44 -4.046 3.703 4.810 1.00 0.00 C ATOM 666 CG MET A 44 -3.060 4.581 5.564 1.00 0.00 C ATOM 667 SD MET A 44 -2.394 5.912 4.546 1.00 0.00 S ATOM 668 CE MET A 44 -1.422 4.980 3.365 1.00 0.00 C ATOM 0 H MET A 44 -3.371 1.123 6.139 1.00 0.00 H new ATOM 0 HA MET A 44 -5.451 3.153 6.339 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.523 3.198 3.998 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.807 4.335 4.353 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.554 5.009 6.436 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.239 3.965 5.932 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.769 5.658 2.816 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.818 4.242 3.893 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.087 4.472 2.667 1.00 0.00 H new ATOM 678 N TRP A 45 -6.791 1.589 4.989 1.00 0.00 N ATOM 679 CA TRP A 45 -7.619 0.669 4.217 1.00 0.00 C ATOM 680 C TRP A 45 -7.641 1.062 2.743 1.00 0.00 C ATOM 681 O TRP A 45 -8.555 1.749 2.287 1.00 0.00 O ATOM 682 CB TRP A 45 -9.044 0.645 4.772 1.00 0.00 C ATOM 683 CG TRP A 45 -9.886 -0.455 4.200 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.602 -0.421 3.037 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.101 -1.752 4.767 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.248 -1.618 2.847 1.00 0.00 N ATOM 687 CE2 TRP A 45 -10.957 -2.452 3.894 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.652 -2.391 5.926 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.371 -3.757 4.146 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.065 -3.686 6.175 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.917 -4.358 5.288 1.00 0.00 C ATOM 0 H TRP A 45 -7.307 2.164 5.655 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.187 -0.328 4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.002 0.535 5.856 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.522 1.603 4.567 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.653 0.423 2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -11.847 -1.849 2.055 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.994 -1.882 6.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.028 -4.277 3.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.725 -4.189 7.068 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.221 -5.370 5.510 1.00 0.00 H new ATOM 702 N VAL A 46 -6.629 0.621 2.003 1.00 0.00 N ATOM 703 CA VAL A 46 -6.533 0.925 0.580 1.00 0.00 C ATOM 704 C VAL A 46 -7.070 -0.224 -0.265 1.00 0.00 C ATOM 705 O VAL A 46 -7.254 -1.339 0.226 1.00 0.00 O ATOM 706 CB VAL A 46 -5.078 1.217 0.166 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.465 2.271 1.075 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.253 -0.060 0.185 1.00 0.00 C ATOM 0 H VAL A 46 -5.864 0.052 2.365 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.138 1.814 0.404 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.079 1.607 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.437 2.464 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.044 3.192 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.474 1.913 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.228 0.165 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.257 -0.481 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.681 -0.780 -0.512 1.00 0.00 H new ATOM 718 N THR A 47 -7.319 0.053 -1.541 1.00 0.00 N ATOM 719 CA THR A 47 -7.836 -0.957 -2.456 1.00 0.00 C ATOM 720 C THR A 47 -6.973 -1.057 -3.709 1.00 0.00 C ATOM 721 O THR A 47 -7.116 -0.262 -4.637 1.00 0.00 O ATOM 722 CB THR A 47 -9.288 -0.651 -2.869 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.091 -0.427 -1.705 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.872 -1.797 -3.682 1.00 0.00 C ATOM 0 H THR A 47 -7.171 0.969 -1.964 1.00 0.00 H new ATOM 0 HA THR A 47 -7.811 -1.908 -1.924 1.00 0.00 H new ATOM 0 HB THR A 47 -9.286 0.247 -3.487 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.972 -0.092 -1.975 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.898 -1.558 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.275 -1.946 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.862 -2.709 -3.085 1.00 0.00 H new ATOM 732 N ASN A 48 -6.078 -2.039 -3.729 1.00 0.00 N ATOM 733 CA ASN A 48 -5.192 -2.243 -4.869 1.00 0.00 C ATOM 734 C ASN A 48 -5.932 -2.004 -6.182 1.00 0.00 C ATOM 735 O ASN A 48 -7.135 -2.247 -6.283 1.00 0.00 O ATOM 736 CB ASN A 48 -4.614 -3.659 -4.846 1.00 0.00 C ATOM 737 CG ASN A 48 -3.274 -3.748 -5.549 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.151 -3.396 -6.722 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.261 -4.222 -4.833 1.00 0.00 N ATOM 0 H ASN A 48 -5.947 -2.706 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.376 -1.524 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.501 -3.986 -3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.317 -4.343 -5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.335 -4.306 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.409 -4.502 -3.863 1.00 0.00 H new ATOM 746 N LEU A 49 -5.204 -1.528 -7.186 1.00 0.00 N ATOM 747 CA LEU A 49 -5.790 -1.257 -8.494 1.00 0.00 C ATOM 748 C LEU A 49 -5.617 -2.452 -9.427 1.00 0.00 C ATOM 749 O LEU A 49 -6.394 -2.638 -10.364 1.00 0.00 O ATOM 750 CB LEU A 49 -5.149 -0.014 -9.115 1.00 0.00 C ATOM 751 CG LEU A 49 -5.375 1.301 -8.368 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.711 2.454 -9.105 1.00 0.00 C ATOM 753 CD2 LEU A 49 -6.863 1.565 -8.191 1.00 0.00 C ATOM 0 H LEU A 49 -4.207 -1.322 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.856 -1.078 -8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.075 -0.184 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.529 0.098 -10.130 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.921 1.218 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.882 3.382 -8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.639 2.269 -9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.135 2.538 -10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.005 2.505 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.340 1.627 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.311 0.752 -7.620 1.00 0.00 H new ATOM 765 N ARG A 50 -4.595 -3.259 -9.162 1.00 0.00 N ATOM 766 CA ARG A 50 -4.321 -4.436 -9.977 1.00 0.00 C ATOM 767 C ARG A 50 -5.109 -5.642 -9.474 1.00 0.00 C ATOM 768 O ARG A 50 -5.890 -6.241 -10.214 1.00 0.00 O ATOM 769 CB ARG A 50 -2.824 -4.752 -9.967 1.00 0.00 C ATOM 770 CG ARG A 50 -2.466 -6.030 -10.708 1.00 0.00 C ATOM 771 CD ARG A 50 -0.963 -6.259 -10.731 1.00 0.00 C ATOM 772 NE ARG A 50 -0.434 -6.554 -9.402 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.653 -7.696 -8.760 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.387 -8.646 -9.324 1.00 0.00 N ATOM 775 NH2 ARG A 50 -0.138 -7.890 -7.553 1.00 0.00 N ATOM 0 H ARG A 50 -3.943 -3.119 -8.390 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.634 -4.220 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.282 -3.919 -10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.486 -4.834 -8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.957 -6.878 -10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.843 -5.977 -11.729 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.732 -7.084 -11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.468 -5.374 -11.130 1.00 0.00 H new ATOM 0 HE ARG A 50 0.135 -5.844 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.784 -8.500 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.554 -9.522 -8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.427 -7.162 -7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.307 -8.768 -7.061 1.00 0.00 H new ATOM 789 N THR A 51 -4.901 -5.993 -8.208 1.00 0.00 N ATOM 790 CA THR A 51 -5.590 -7.127 -7.606 1.00 0.00 C ATOM 791 C THR A 51 -7.012 -6.754 -7.201 1.00 0.00 C ATOM 792 O THR A 51 -7.843 -7.625 -6.946 1.00 0.00 O ATOM 793 CB THR A 51 -4.836 -7.650 -6.369 1.00 0.00 C ATOM 794 OG1 THR A 51 -4.986 -6.733 -5.280 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.359 -7.843 -6.677 1.00 0.00 C ATOM 0 H THR A 51 -4.260 -5.507 -7.580 1.00 0.00 H new ATOM 0 HA THR A 51 -5.624 -7.913 -8.360 1.00 0.00 H new ATOM 0 HB THR A 51 -5.262 -8.614 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.505 -7.074 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.847 -8.213 -5.788 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.247 -8.564 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.922 -6.890 -6.977 1.00 0.00 H new ATOM 803 N ASP A 52 -7.284 -5.455 -7.145 1.00 0.00 N ATOM 804 CA ASP A 52 -8.607 -4.967 -6.772 1.00 0.00 C ATOM 805 C ASP A 52 -9.026 -5.517 -5.413 1.00 0.00 C ATOM 806 O ASP A 52 -10.214 -5.688 -5.142 1.00 0.00 O ATOM 807 CB ASP A 52 -9.636 -5.358 -7.834 1.00 0.00 C ATOM 808 CG ASP A 52 -10.868 -4.475 -7.800 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.734 -3.285 -7.447 1.00 0.00 O ATOM 810 OD2 ASP A 52 -11.966 -4.974 -8.124 1.00 0.00 O ATOM 0 H ASP A 52 -6.607 -4.721 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.561 -3.880 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.176 -5.297 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.932 -6.396 -7.684 1.00 0.00 H new ATOM 815 N GLU A 53 -8.042 -5.794 -4.563 1.00 0.00 N ATOM 816 CA GLU A 53 -8.310 -6.327 -3.232 1.00 0.00 C ATOM 817 C GLU A 53 -7.828 -5.362 -2.153 1.00 0.00 C ATOM 818 O GLU A 53 -6.665 -4.960 -2.140 1.00 0.00 O ATOM 819 CB GLU A 53 -7.630 -7.686 -3.057 1.00 0.00 C ATOM 820 CG GLU A 53 -8.248 -8.789 -3.900 1.00 0.00 C ATOM 821 CD GLU A 53 -8.001 -10.171 -3.326 1.00 0.00 C ATOM 822 OE1 GLU A 53 -8.178 -10.345 -2.102 1.00 0.00 O ATOM 823 OE2 GLU A 53 -7.631 -11.077 -4.101 1.00 0.00 O ATOM 0 H GLU A 53 -7.053 -5.658 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.388 -6.452 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.575 -7.591 -3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.677 -7.974 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.322 -8.620 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.840 -8.741 -4.910 1.00 0.00 H new ATOM 830 N GLN A 54 -8.732 -4.995 -1.250 1.00 0.00 N ATOM 831 CA GLN A 54 -8.400 -4.076 -0.167 1.00 0.00 C ATOM 832 C GLN A 54 -8.034 -4.840 1.102 1.00 0.00 C ATOM 833 O GLN A 54 -8.279 -6.041 1.208 1.00 0.00 O ATOM 834 CB GLN A 54 -9.573 -3.135 0.110 1.00 0.00 C ATOM 835 CG GLN A 54 -10.929 -3.821 0.053 1.00 0.00 C ATOM 836 CD GLN A 54 -10.908 -5.208 0.665 1.00 0.00 C ATOM 837 OE1 GLN A 54 -10.507 -5.385 1.816 1.00 0.00 O ATOM 838 NE2 GLN A 54 -11.340 -6.201 -0.104 1.00 0.00 N ATOM 0 H GLN A 54 -9.699 -5.320 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.537 -3.487 -0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.443 -2.686 1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.555 -2.322 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.664 -3.209 0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.253 -3.891 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.663 -6.008 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.348 -7.156 0.253 1.00 0.00 H new ATOM 847 N GLY A 55 -7.445 -4.134 2.063 1.00 0.00 N ATOM 848 CA GLY A 55 -7.055 -4.762 3.311 1.00 0.00 C ATOM 849 C GLY A 55 -6.395 -3.789 4.268 1.00 0.00 C ATOM 850 O GLY A 55 -6.881 -2.674 4.465 1.00 0.00 O ATOM 0 H GLY A 55 -7.231 -3.139 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.935 -5.195 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.369 -5.583 3.102 1.00 0.00 H new ATOM 854 N LEU A 56 -5.286 -4.210 4.866 1.00 0.00 N ATOM 855 CA LEU A 56 -4.559 -3.368 5.810 1.00 0.00 C ATOM 856 C LEU A 56 -3.062 -3.389 5.516 1.00 0.00 C ATOM 857 O LEU A 56 -2.388 -4.392 5.750 1.00 0.00 O ATOM 858 CB LEU A 56 -4.815 -3.836 7.243 1.00 0.00 C ATOM 859 CG LEU A 56 -6.246 -3.672 7.757 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.399 -4.317 9.126 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.627 -2.199 7.814 1.00 0.00 C ATOM 0 H LEU A 56 -4.871 -5.129 4.714 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.919 -2.345 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.543 -4.889 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.147 -3.289 7.908 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.920 -4.175 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.424 -4.190 9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.169 -5.380 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.714 -3.844 9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.648 -2.101 8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.948 -1.673 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.558 -1.766 6.816 1.00 0.00 H new ATOM 873 N ILE A 57 -2.549 -2.274 5.005 1.00 0.00 N ATOM 874 CA ILE A 57 -1.132 -2.164 4.684 1.00 0.00 C ATOM 875 C ILE A 57 -0.458 -1.089 5.530 1.00 0.00 C ATOM 876 O ILE A 57 -1.124 -0.334 6.239 1.00 0.00 O ATOM 877 CB ILE A 57 -0.917 -1.837 3.194 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.416 -0.425 2.882 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.626 -2.861 2.320 1.00 0.00 C ATOM 880 CD1 ILE A 57 -0.801 0.171 1.635 1.00 0.00 C ATOM 0 H ILE A 57 -3.094 -1.435 4.805 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.682 -3.132 4.905 1.00 0.00 H new ATOM 0 HB ILE A 57 0.150 -1.880 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.500 -0.448 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.199 0.224 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.465 -2.617 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.227 -3.854 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.694 -2.847 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.201 1.172 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.281 0.227 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.040 -0.456 0.776 1.00 0.00 H new ATOM 892 N VAL A 58 0.867 -1.025 5.451 1.00 0.00 N ATOM 893 CA VAL A 58 1.632 -0.041 6.208 1.00 0.00 C ATOM 894 C VAL A 58 2.214 1.027 5.289 1.00 0.00 C ATOM 895 O VAL A 58 2.809 0.715 4.258 1.00 0.00 O ATOM 896 CB VAL A 58 2.777 -0.705 6.995 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.906 -1.109 6.058 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.285 0.227 8.084 1.00 0.00 C ATOM 0 H VAL A 58 1.433 -1.643 4.870 1.00 0.00 H new ATOM 0 HA VAL A 58 0.941 0.425 6.911 1.00 0.00 H new ATOM 0 HB VAL A 58 2.392 -1.607 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.706 -1.576 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.530 -1.816 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.292 -0.225 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.094 -0.258 8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.654 1.148 7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.472 0.461 8.771 1.00 0.00 H new ATOM 908 N GLU A 59 2.038 2.288 5.671 1.00 0.00 N ATOM 909 CA GLU A 59 2.546 3.403 4.880 1.00 0.00 C ATOM 910 C GLU A 59 4.058 3.300 4.704 1.00 0.00 C ATOM 911 O GLU A 59 4.610 3.763 3.705 1.00 0.00 O ATOM 912 CB GLU A 59 2.188 4.734 5.545 1.00 0.00 C ATOM 913 CG GLU A 59 3.126 5.120 6.677 1.00 0.00 C ATOM 914 CD GLU A 59 2.754 6.444 7.316 1.00 0.00 C ATOM 915 OE1 GLU A 59 1.544 6.727 7.435 1.00 0.00 O ATOM 916 OE2 GLU A 59 3.675 7.197 7.698 1.00 0.00 O ATOM 0 H GLU A 59 1.548 2.563 6.522 1.00 0.00 H new ATOM 0 HA GLU A 59 2.079 3.360 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.198 5.521 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.170 4.676 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.114 4.338 7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.145 5.178 6.295 1.00 0.00 H new ATOM 923 N ASP A 60 4.722 2.691 5.680 1.00 0.00 N ATOM 924 CA ASP A 60 6.170 2.526 5.634 1.00 0.00 C ATOM 925 C ASP A 60 6.584 1.694 4.424 1.00 0.00 C ATOM 926 O ASP A 60 7.768 1.594 4.102 1.00 0.00 O ATOM 927 CB ASP A 60 6.671 1.866 6.919 1.00 0.00 C ATOM 928 CG ASP A 60 6.291 2.650 8.159 1.00 0.00 C ATOM 929 OD1 ASP A 60 6.286 3.897 8.094 1.00 0.00 O ATOM 930 OD2 ASP A 60 6.000 2.017 9.196 1.00 0.00 O ATOM 0 H ASP A 60 4.280 2.303 6.513 1.00 0.00 H new ATOM 0 HA ASP A 60 6.621 3.514 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.261 0.858 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.756 1.767 6.874 1.00 0.00 H new ATOM 935 N LEU A 61 5.601 1.098 3.758 1.00 0.00 N ATOM 936 CA LEU A 61 5.862 0.273 2.584 1.00 0.00 C ATOM 937 C LEU A 61 5.499 1.017 1.303 1.00 0.00 C ATOM 938 O LEU A 61 6.070 0.764 0.242 1.00 0.00 O ATOM 939 CB LEU A 61 5.073 -1.035 2.669 1.00 0.00 C ATOM 940 CG LEU A 61 5.731 -2.166 3.460 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.744 -3.300 3.691 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.969 -2.673 2.735 1.00 0.00 C ATOM 0 H LEU A 61 4.616 1.171 4.011 1.00 0.00 H new ATOM 0 HA LEU A 61 6.928 0.046 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.103 -0.822 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.885 -1.389 1.655 1.00 0.00 H new ATOM 0 HG LEU A 61 6.037 -1.775 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.230 -4.096 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.887 -2.928 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.407 -3.690 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.425 -3.478 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.687 -3.047 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.684 -1.858 2.622 1.00 0.00 H new ATOM 954 N VAL A 62 4.547 1.939 1.410 1.00 0.00 N ATOM 955 CA VAL A 62 4.109 2.723 0.262 1.00 0.00 C ATOM 956 C VAL A 62 4.543 4.179 0.393 1.00 0.00 C ATOM 957 O VAL A 62 5.062 4.590 1.430 1.00 0.00 O ATOM 958 CB VAL A 62 2.579 2.668 0.094 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.107 1.227 -0.022 1.00 0.00 C ATOM 960 CG2 VAL A 62 1.891 3.371 1.254 1.00 0.00 C ATOM 0 H VAL A 62 4.064 2.161 2.281 1.00 0.00 H new ATOM 0 HA VAL A 62 4.579 2.284 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 62 2.312 3.188 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.024 1.207 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.575 0.759 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.384 0.680 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.810 3.323 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.162 2.881 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.206 4.414 1.286 1.00 0.00 H new ATOM 970 N GLU A 63 4.326 4.953 -0.666 1.00 0.00 N ATOM 971 CA GLU A 63 4.695 6.364 -0.668 1.00 0.00 C ATOM 972 C GLU A 63 3.633 7.203 -1.373 1.00 0.00 C ATOM 973 O GLU A 63 2.961 6.730 -2.288 1.00 0.00 O ATOM 974 CB GLU A 63 6.050 6.558 -1.351 1.00 0.00 C ATOM 975 CG GLU A 63 6.088 6.053 -2.784 1.00 0.00 C ATOM 976 CD GLU A 63 7.408 6.343 -3.471 1.00 0.00 C ATOM 977 OE1 GLU A 63 8.301 6.924 -2.819 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.548 5.988 -4.660 1.00 0.00 O ATOM 0 H GLU A 63 3.897 4.627 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 63 4.767 6.696 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.304 7.618 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.816 6.042 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.908 4.978 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.279 6.516 -3.350 1.00 0.00 H new ATOM 985 N GLU A 64 3.488 8.451 -0.937 1.00 0.00 N ATOM 986 CA GLU A 64 2.507 9.355 -1.526 1.00 0.00 C ATOM 987 C GLU A 64 2.932 9.782 -2.927 1.00 0.00 C ATOM 988 O GLU A 64 4.070 10.198 -3.143 1.00 0.00 O ATOM 989 CB GLU A 64 2.321 10.588 -0.639 1.00 0.00 C ATOM 990 CG GLU A 64 3.495 11.552 -0.684 1.00 0.00 C ATOM 991 CD GLU A 64 4.807 10.891 -0.308 1.00 0.00 C ATOM 992 OE1 GLU A 64 5.055 10.709 0.902 1.00 0.00 O ATOM 993 OE2 GLU A 64 5.586 10.557 -1.225 1.00 0.00 O ATOM 0 H GLU A 64 4.036 8.858 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 64 1.559 8.823 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.418 11.114 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.166 10.265 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.578 11.971 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.304 12.384 -0.006 1.00 0.00 H new