USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 626 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 67 ASN : amide:sc= -5.95! C(o=-6.1!,f=-15!) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.149 X(o=-6.1,f=-6.3) USER MOD Set 2.1: A 31 GLN :FLIP amide:sc= -8.46! C(o=-17!,f=-8!) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -120:sc= 0.437 (180deg=-0.861) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 11 LYS NZ :NH3+ 137:sc= -2.55! (180deg=-5.93!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.0349 (180deg=-0.429) USER MOD Single : A 24 SER OG : rot 180:sc= -0.375 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.611 K(o=-0.61,f=-2.5!) USER MOD Single : A 36 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-0.67) USER MOD Single : A 37 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.98) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.196) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 47 SER OG : rot -57:sc= 0.701 USER MOD Single : A 51 ASN :FLIP amide:sc= -1.15 F(o=-3.5!,f=-1.2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.61! C(o=-1.6!,f=-3.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -1.07 X(o=-1.1,f=-1.5) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.818 USER MOD Single : A 71 THR OG1 : rot 83:sc= 0.305 USER MOD Single : A 72 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= -0.772 (180deg=-2.9!) USER MOD Single : A 76 GLN : amide:sc= 0.87 K(o=0.87,f=-1) USER MOD Single : A 78 THR OG1 : rot 104:sc= 1.03 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -6.105 0.098 20.063 1.00 0.00 N ATOM 45 CA ILE A 4 -7.052 -0.807 19.411 1.00 0.00 C ATOM 46 C ILE A 4 -7.370 -0.325 18.000 1.00 0.00 C ATOM 47 O ILE A 4 -7.661 0.853 17.789 1.00 0.00 O ATOM 48 CB ILE A 4 -8.330 -0.895 20.222 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.018 -1.450 21.615 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.322 -1.824 19.517 1.00 0.00 C ATOM 51 CD1 ILE A 4 -9.238 -1.276 22.522 1.00 0.00 C ATOM 0 HA ILE A 4 -6.596 -1.795 19.349 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.765 0.100 20.316 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.751 -2.505 21.546 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.159 -0.931 22.040 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.240 -1.886 20.101 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.548 -1.430 18.526 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.885 -2.818 19.421 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.014 -1.671 23.513 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.485 -0.217 22.601 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.086 -1.815 22.099 1.00 0.00 H new ATOM 63 N PHE A 5 -7.305 -1.238 17.034 1.00 0.00 N ATOM 64 CA PHE A 5 -7.585 -0.883 15.647 1.00 0.00 C ATOM 65 C PHE A 5 -9.042 -0.463 15.490 1.00 0.00 C ATOM 66 O PHE A 5 -9.950 -1.135 15.979 1.00 0.00 O ATOM 67 CB PHE A 5 -7.297 -2.082 14.739 1.00 0.00 C ATOM 68 CG PHE A 5 -5.805 -2.276 14.616 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.079 -1.531 13.680 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.148 -3.199 15.439 1.00 0.00 C ATOM 71 CE1 PHE A 5 -3.696 -1.709 13.564 1.00 0.00 C ATOM 72 CE2 PHE A 5 -3.765 -3.377 15.323 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.038 -2.632 14.387 1.00 0.00 C ATOM 0 H PHE A 5 -7.064 -2.218 17.184 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.945 -0.048 15.364 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.758 -2.981 15.149 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.735 -1.919 13.754 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.586 -0.818 13.047 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.708 -3.773 16.162 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.136 -1.135 12.840 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.258 -4.090 15.956 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.970 -2.769 14.299 1.00 0.00 H new ATOM 83 N THR A 6 -9.258 0.656 14.806 1.00 0.00 N ATOM 84 CA THR A 6 -10.609 1.161 14.593 1.00 0.00 C ATOM 85 C THR A 6 -11.394 0.217 13.689 1.00 0.00 C ATOM 86 O THR A 6 -10.842 -0.372 12.760 1.00 0.00 O ATOM 87 CB THR A 6 -10.553 2.550 13.955 1.00 0.00 C ATOM 88 OG1 THR A 6 -9.575 3.336 14.622 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.919 3.227 14.075 1.00 0.00 C ATOM 0 H THR A 6 -8.521 1.227 14.393 1.00 0.00 H new ATOM 0 HA THR A 6 -11.110 1.225 15.559 1.00 0.00 H new ATOM 0 HB THR A 6 -10.289 2.454 12.902 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.536 4.226 14.213 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.876 4.216 13.620 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.670 2.625 13.564 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.186 3.323 15.127 1.00 0.00 H new ATOM 97 N VAL A 7 -12.686 0.082 13.966 1.00 0.00 N ATOM 98 CA VAL A 7 -13.538 -0.793 13.171 1.00 0.00 C ATOM 99 C VAL A 7 -13.637 -0.285 11.736 1.00 0.00 C ATOM 100 O VAL A 7 -13.677 -1.072 10.790 1.00 0.00 O ATOM 101 CB VAL A 7 -14.937 -0.865 13.790 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.634 0.489 13.645 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.757 -1.942 13.076 1.00 0.00 C ATOM 0 H VAL A 7 -13.163 0.563 14.729 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.096 -1.789 13.161 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.852 -1.115 14.847 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.629 0.435 14.086 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.051 1.255 14.157 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.719 0.743 12.588 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.753 -1.993 13.517 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.841 -1.694 12.018 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.262 -2.907 13.184 1.00 0.00 H new ATOM 113 N GLN A 8 -13.688 1.034 11.582 1.00 0.00 N ATOM 114 CA GLN A 8 -13.794 1.634 10.260 1.00 0.00 C ATOM 115 C GLN A 8 -12.623 1.205 9.380 1.00 0.00 C ATOM 116 O GLN A 8 -12.807 0.835 8.222 1.00 0.00 O ATOM 117 CB GLN A 8 -13.812 3.159 10.380 1.00 0.00 C ATOM 118 CG GLN A 8 -14.051 3.780 9.003 1.00 0.00 C ATOM 119 CD GLN A 8 -14.148 5.297 9.123 1.00 0.00 C ATOM 120 OE1 GLN A 8 -13.342 5.919 9.814 1.00 0.00 O ATOM 121 NE2 GLN A 8 -15.093 5.933 8.487 1.00 0.00 N ATOM 0 H GLN A 8 -13.658 1.703 12.352 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.722 1.294 9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.595 3.470 11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.866 3.513 10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.238 3.512 8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.969 3.382 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.760 5.416 7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.165 6.948 8.562 1.00 0.00 H new ATOM 130 N GLU A 9 -11.420 1.256 9.942 1.00 0.00 N ATOM 131 CA GLU A 9 -10.223 0.868 9.205 1.00 0.00 C ATOM 132 C GLU A 9 -10.210 -0.635 8.957 1.00 0.00 C ATOM 133 O GLU A 9 -9.640 -1.110 7.974 1.00 0.00 O ATOM 134 CB GLU A 9 -8.972 1.274 9.985 1.00 0.00 C ATOM 135 CG GLU A 9 -8.865 2.801 10.014 1.00 0.00 C ATOM 136 CD GLU A 9 -7.687 3.223 10.884 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.998 2.347 11.379 1.00 0.00 O ATOM 138 OE2 GLU A 9 -7.492 4.417 11.044 1.00 0.00 O ATOM 0 H GLU A 9 -11.248 1.560 10.900 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.230 1.381 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.020 0.882 11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.085 0.845 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.736 3.184 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.788 3.231 10.403 1.00 0.00 H new ATOM 145 N LEU A 10 -10.834 -1.381 9.860 1.00 0.00 N ATOM 146 CA LEU A 10 -10.884 -2.830 9.737 1.00 0.00 C ATOM 147 C LEU A 10 -11.660 -3.233 8.488 1.00 0.00 C ATOM 148 O LEU A 10 -11.320 -4.213 7.824 1.00 0.00 O ATOM 149 CB LEU A 10 -11.546 -3.444 10.976 1.00 0.00 C ATOM 150 CG LEU A 10 -11.476 -4.978 10.899 1.00 0.00 C ATOM 151 CD1 LEU A 10 -10.007 -5.446 10.964 1.00 0.00 C ATOM 152 CD2 LEU A 10 -12.265 -5.580 12.065 1.00 0.00 C ATOM 0 H LEU A 10 -11.310 -1.008 10.681 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.863 -3.203 9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.045 -3.093 11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.585 -3.121 11.042 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.908 -5.311 9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.969 -6.534 10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.452 -5.021 10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.561 -5.115 11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.217 -6.668 12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.835 -5.242 13.008 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.305 -5.259 12.005 1.00 0.00 H new ATOM 164 N LYS A 11 -12.712 -2.485 8.185 1.00 0.00 N ATOM 165 CA LYS A 11 -13.539 -2.787 7.025 1.00 0.00 C ATOM 166 C LYS A 11 -12.704 -2.754 5.750 1.00 0.00 C ATOM 167 O LYS A 11 -12.849 -3.616 4.887 1.00 0.00 O ATOM 168 CB LYS A 11 -14.675 -1.768 6.913 1.00 0.00 C ATOM 169 CG LYS A 11 -15.678 -1.990 8.045 1.00 0.00 C ATOM 170 CD LYS A 11 -16.837 -1.002 7.903 1.00 0.00 C ATOM 171 CE LYS A 11 -17.887 -1.287 8.978 1.00 0.00 C ATOM 172 NZ LYS A 11 -17.316 -0.989 10.321 1.00 0.00 N ATOM 0 H LYS A 11 -13.011 -1.671 8.722 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.956 -3.786 7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.275 -0.755 6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.172 -1.868 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.053 -3.013 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.189 -1.856 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.471 0.020 7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.283 -1.089 6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.774 -0.678 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.201 -2.330 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.021 -0.482 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.061 -1.879 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.467 -0.398 10.214 1.00 0.00 H new ATOM 186 N GLU A 12 -11.833 -1.760 5.637 1.00 0.00 N ATOM 187 CA GLU A 12 -10.988 -1.631 4.456 1.00 0.00 C ATOM 188 C GLU A 12 -10.147 -2.888 4.262 1.00 0.00 C ATOM 189 O GLU A 12 -9.896 -3.311 3.134 1.00 0.00 O ATOM 190 CB GLU A 12 -10.069 -0.415 4.607 1.00 0.00 C ATOM 191 CG GLU A 12 -9.254 -0.225 3.326 1.00 0.00 C ATOM 192 CD GLU A 12 -8.397 1.031 3.435 1.00 0.00 C ATOM 193 OE1 GLU A 12 -8.308 1.571 4.524 1.00 0.00 O ATOM 194 OE2 GLU A 12 -7.840 1.431 2.427 1.00 0.00 O ATOM 0 H GLU A 12 -11.693 -1.036 6.342 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.627 -1.498 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.661 0.478 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.401 -0.554 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.619 -1.095 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.922 -0.146 2.468 1.00 0.00 H new ATOM 201 N ARG A 13 -9.714 -3.477 5.364 1.00 0.00 N ATOM 202 CA ARG A 13 -8.907 -4.686 5.301 1.00 0.00 C ATOM 203 C ARG A 13 -9.767 -5.888 4.922 1.00 0.00 C ATOM 204 O ARG A 13 -9.332 -6.764 4.174 1.00 0.00 O ATOM 205 CB ARG A 13 -8.227 -4.940 6.647 1.00 0.00 C ATOM 206 CG ARG A 13 -7.240 -6.111 6.516 1.00 0.00 C ATOM 207 CD ARG A 13 -6.072 -5.722 5.590 1.00 0.00 C ATOM 208 NE ARG A 13 -4.888 -6.492 5.923 1.00 0.00 N ATOM 209 CZ ARG A 13 -3.845 -6.520 5.103 1.00 0.00 C ATOM 210 NH1 ARG A 13 -3.877 -5.850 3.982 1.00 0.00 N ATOM 211 NH2 ARG A 13 -2.789 -7.214 5.418 1.00 0.00 N ATOM 0 H ARG A 13 -9.906 -3.141 6.308 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.143 -4.547 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.701 -4.043 6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.975 -5.166 7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.858 -6.386 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.754 -6.986 6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.349 -5.899 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.861 -4.657 5.687 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.857 -7.017 6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.704 -5.305 3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.075 -5.872 3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.764 -7.735 6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.987 -7.236 4.788 1.00 0.00 H new ATOM 225 N ALA A 14 -10.978 -5.935 5.465 1.00 0.00 N ATOM 226 CA ALA A 14 -11.886 -7.043 5.199 1.00 0.00 C ATOM 227 C ALA A 14 -12.410 -6.988 3.771 1.00 0.00 C ATOM 228 O ALA A 14 -12.887 -7.989 3.237 1.00 0.00 O ATOM 229 CB ALA A 14 -13.060 -7.002 6.179 1.00 0.00 C ATOM 0 H ALA A 14 -11.352 -5.221 6.090 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.334 -7.974 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.734 -7.833 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.685 -7.082 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.598 -6.061 6.063 1.00 0.00 H new ATOM 235 N LYS A 15 -12.314 -5.819 3.157 1.00 0.00 N ATOM 236 CA LYS A 15 -12.782 -5.649 1.787 1.00 0.00 C ATOM 237 C LYS A 15 -12.004 -6.547 0.836 1.00 0.00 C ATOM 238 O LYS A 15 -12.348 -6.666 -0.339 1.00 0.00 O ATOM 239 CB LYS A 15 -12.619 -4.183 1.371 1.00 0.00 C ATOM 240 CG LYS A 15 -13.752 -3.328 1.969 1.00 0.00 C ATOM 241 CD LYS A 15 -14.955 -3.331 1.022 1.00 0.00 C ATOM 242 CE LYS A 15 -16.054 -2.460 1.606 1.00 0.00 C ATOM 243 NZ LYS A 15 -17.205 -2.416 0.659 1.00 0.00 N ATOM 0 H LYS A 15 -11.920 -4.979 3.580 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.834 -5.929 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.653 -3.807 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.629 -4.103 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.043 -3.722 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.405 -2.307 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.661 -2.957 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.318 -4.349 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.376 -2.857 2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.678 -1.453 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.959 -1.820 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.892 -2.018 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.568 -3.379 0.509 1.00 0.00 H new ATOM 257 N VAL A 16 -10.956 -7.175 1.350 1.00 0.00 N ATOM 258 CA VAL A 16 -10.140 -8.061 0.532 1.00 0.00 C ATOM 259 C VAL A 16 -10.859 -9.384 0.295 1.00 0.00 C ATOM 260 O VAL A 16 -10.719 -9.991 -0.762 1.00 0.00 O ATOM 261 CB VAL A 16 -8.803 -8.327 1.223 1.00 0.00 C ATOM 262 CG1 VAL A 16 -9.038 -9.127 2.508 1.00 0.00 C ATOM 263 CG2 VAL A 16 -7.892 -9.122 0.283 1.00 0.00 C ATOM 0 H VAL A 16 -10.653 -7.089 2.320 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.964 -7.576 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.329 -7.378 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.083 -9.315 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.684 -8.559 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.514 -10.077 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.938 -9.312 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.367 -10.071 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.722 -8.550 -0.629 1.00 0.00 H new ATOM 273 N PHE A 17 -11.628 -9.824 1.292 1.00 0.00 N ATOM 274 CA PHE A 17 -12.370 -11.086 1.190 1.00 0.00 C ATOM 275 C PHE A 17 -13.871 -10.821 1.176 1.00 0.00 C ATOM 276 O PHE A 17 -14.367 -9.951 1.893 1.00 0.00 O ATOM 277 CB PHE A 17 -12.020 -11.990 2.371 1.00 0.00 C ATOM 278 CG PHE A 17 -12.798 -13.280 2.258 1.00 0.00 C ATOM 279 CD1 PHE A 17 -12.367 -14.281 1.377 1.00 0.00 C ATOM 280 CD2 PHE A 17 -13.949 -13.473 3.028 1.00 0.00 C ATOM 281 CE1 PHE A 17 -13.088 -15.477 1.271 1.00 0.00 C ATOM 282 CE2 PHE A 17 -14.670 -14.668 2.920 1.00 0.00 C ATOM 283 CZ PHE A 17 -14.241 -15.670 2.042 1.00 0.00 C ATOM 0 H PHE A 17 -11.754 -9.330 2.175 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.091 -11.580 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.950 -12.197 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.257 -11.490 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.480 -14.130 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.282 -12.701 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.755 -16.250 0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -15.559 -14.817 3.515 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.799 -16.591 1.959 1.00 0.00 H new ATOM 293 N ALA A 18 -14.589 -11.573 0.347 1.00 0.00 N ATOM 294 CA ALA A 18 -16.034 -11.409 0.238 1.00 0.00 C ATOM 295 C ALA A 18 -16.701 -11.630 1.588 1.00 0.00 C ATOM 296 O ALA A 18 -16.283 -12.489 2.368 1.00 0.00 O ATOM 297 CB ALA A 18 -16.597 -12.405 -0.777 1.00 0.00 C ATOM 0 H ALA A 18 -14.197 -12.297 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.240 -10.392 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.677 -12.276 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.141 -12.228 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.375 -13.421 -0.451 1.00 0.00 H new ATOM 303 N LYS A 19 -17.735 -10.843 1.864 1.00 0.00 N ATOM 304 CA LYS A 19 -18.441 -10.957 3.128 1.00 0.00 C ATOM 305 C LYS A 19 -19.277 -12.234 3.173 1.00 0.00 C ATOM 306 O LYS A 19 -19.807 -12.673 2.153 1.00 0.00 O ATOM 307 CB LYS A 19 -19.350 -9.748 3.336 1.00 0.00 C ATOM 308 CG LYS A 19 -18.499 -8.454 3.337 1.00 0.00 C ATOM 309 CD LYS A 19 -19.013 -7.497 4.407 1.00 0.00 C ATOM 310 CE LYS A 19 -18.224 -6.193 4.343 1.00 0.00 C ATOM 311 NZ LYS A 19 -18.577 -5.466 3.092 1.00 0.00 N ATOM 0 H LYS A 19 -18.098 -10.127 1.235 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.698 -10.995 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.099 -9.703 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.888 -9.843 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.453 -8.696 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.545 -7.977 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.074 -7.300 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.911 -7.949 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.449 -5.575 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.154 -6.400 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.342 -4.459 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.041 -5.865 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.596 -5.566 2.908 1.00 0.00 H new ATOM 325 N PRO A 20 -19.413 -12.834 4.333 1.00 0.00 N ATOM 326 CA PRO A 20 -20.214 -14.082 4.502 1.00 0.00 C ATOM 327 C PRO A 20 -21.711 -13.833 4.335 1.00 0.00 C ATOM 328 O PRO A 20 -22.183 -12.703 4.469 1.00 0.00 O ATOM 329 CB PRO A 20 -19.877 -14.534 5.934 1.00 0.00 C ATOM 330 CG PRO A 20 -19.484 -13.284 6.653 1.00 0.00 C ATOM 331 CD PRO A 20 -18.824 -12.392 5.612 1.00 0.00 C ATOM 0 HA PRO A 20 -19.975 -14.833 3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -20.735 -15.010 6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.066 -15.262 5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -20.355 -12.795 7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.797 -13.503 7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.029 -11.339 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -17.741 -12.511 5.614 1.00 0.00 H new ATOM 339 N ILE A 21 -22.450 -14.897 4.049 1.00 0.00 N ATOM 340 CA ILE A 21 -23.891 -14.791 3.874 1.00 0.00 C ATOM 341 C ILE A 21 -24.575 -14.554 5.217 1.00 0.00 C ATOM 342 O ILE A 21 -24.045 -14.915 6.267 1.00 0.00 O ATOM 343 CB ILE A 21 -24.436 -16.072 3.239 1.00 0.00 C ATOM 344 CG1 ILE A 21 -24.071 -17.276 4.115 1.00 0.00 C ATOM 345 CG2 ILE A 21 -23.827 -16.250 1.847 1.00 0.00 C ATOM 346 CD1 ILE A 21 -24.724 -18.537 3.548 1.00 0.00 C ATOM 0 H ILE A 21 -22.077 -15.839 3.934 1.00 0.00 H new ATOM 0 HA ILE A 21 -24.099 -13.946 3.218 1.00 0.00 H new ATOM 0 HB ILE A 21 -25.521 -16.001 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -22.988 -17.399 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -24.406 -17.109 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -24.215 -17.162 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -24.089 -15.395 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -22.742 -16.319 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -24.464 -19.393 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.807 -18.412 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.367 -18.706 2.532 1.00 0.00 H new ATOM 358 N GLY A 22 -25.756 -13.946 5.175 1.00 0.00 N ATOM 359 CA GLY A 22 -26.507 -13.667 6.394 1.00 0.00 C ATOM 360 C GLY A 22 -26.054 -12.356 7.026 1.00 0.00 C ATOM 361 O GLY A 22 -26.226 -11.285 6.444 1.00 0.00 O ATOM 0 H GLY A 22 -26.212 -13.639 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -27.572 -13.616 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.372 -14.483 7.104 1.00 0.00 H new ATOM 365 N ALA A 23 -25.478 -12.448 8.219 1.00 0.00 N ATOM 366 CA ALA A 23 -25.007 -11.259 8.920 1.00 0.00 C ATOM 367 C ALA A 23 -24.079 -11.647 10.066 1.00 0.00 C ATOM 368 O ALA A 23 -24.243 -11.180 11.190 1.00 0.00 O ATOM 369 CB ALA A 23 -26.198 -10.473 9.471 1.00 0.00 C ATOM 0 H ALA A 23 -25.327 -13.325 8.718 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.456 -10.637 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.839 -9.586 9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -26.847 -10.172 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -26.758 -11.100 10.164 1.00 0.00 H new ATOM 375 N SER A 24 -23.107 -12.503 9.771 1.00 0.00 N ATOM 376 CA SER A 24 -22.155 -12.949 10.785 1.00 0.00 C ATOM 377 C SER A 24 -21.063 -11.903 10.995 1.00 0.00 C ATOM 378 O SER A 24 -20.320 -11.954 11.974 1.00 0.00 O ATOM 379 CB SER A 24 -21.522 -14.272 10.361 1.00 0.00 C ATOM 380 OG SER A 24 -20.830 -14.091 9.133 1.00 0.00 O ATOM 0 H SER A 24 -22.957 -12.901 8.844 1.00 0.00 H new ATOM 0 HA SER A 24 -22.692 -13.088 11.723 1.00 0.00 H new ATOM 0 HB2 SER A 24 -20.834 -14.622 11.131 1.00 0.00 H new ATOM 0 HB3 SER A 24 -22.291 -15.036 10.249 1.00 0.00 H new ATOM 0 HG SER A 24 -20.421 -14.939 8.860 1.00 0.00 H new ATOM 386 N TYR A 25 -20.969 -10.961 10.062 1.00 0.00 N ATOM 387 CA TYR A 25 -19.960 -9.911 10.147 1.00 0.00 C ATOM 388 C TYR A 25 -20.323 -8.904 11.234 1.00 0.00 C ATOM 389 O TYR A 25 -19.477 -8.132 11.685 1.00 0.00 O ATOM 390 CB TYR A 25 -19.837 -9.192 8.802 1.00 0.00 C ATOM 391 CG TYR A 25 -18.671 -8.233 8.851 1.00 0.00 C ATOM 392 CD1 TYR A 25 -17.369 -8.702 8.632 1.00 0.00 C ATOM 393 CD2 TYR A 25 -18.890 -6.876 9.113 1.00 0.00 C ATOM 394 CE1 TYR A 25 -16.287 -7.814 8.676 1.00 0.00 C ATOM 395 CE2 TYR A 25 -17.808 -5.987 9.157 1.00 0.00 C ATOM 396 CZ TYR A 25 -16.507 -6.457 8.939 1.00 0.00 C ATOM 397 OH TYR A 25 -15.442 -5.581 8.981 1.00 0.00 O ATOM 0 H TYR A 25 -21.575 -10.903 9.243 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.005 -10.372 10.400 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.692 -9.917 8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -20.757 -8.652 8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.200 -9.749 8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -19.893 -6.514 9.281 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.284 -8.176 8.507 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.977 -4.940 9.359 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.735 -5.896 8.380 1.00 0.00 H new ATOM 407 N GLN A 26 -21.585 -8.913 11.646 1.00 0.00 N ATOM 408 CA GLN A 26 -22.049 -7.991 12.677 1.00 0.00 C ATOM 409 C GLN A 26 -21.284 -8.212 13.978 1.00 0.00 C ATOM 410 O GLN A 26 -20.978 -7.261 14.699 1.00 0.00 O ATOM 411 CB GLN A 26 -23.548 -8.197 12.919 1.00 0.00 C ATOM 412 CG GLN A 26 -23.778 -9.550 13.600 1.00 0.00 C ATOM 413 CD GLN A 26 -25.258 -9.912 13.556 1.00 0.00 C ATOM 414 OE1 GLN A 26 -26.022 -9.314 12.800 1.00 0.00 O ATOM 415 NE2 GLN A 26 -25.710 -10.860 14.329 1.00 0.00 N ATOM 0 H GLN A 26 -22.301 -9.543 11.286 1.00 0.00 H new ATOM 0 HA GLN A 26 -21.871 -6.971 12.337 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.940 -7.393 13.543 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.088 -8.158 11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.192 -10.322 13.101 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -23.436 -9.508 14.634 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.074 -11.354 14.955 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.699 -11.107 14.308 1.00 0.00 H new ATOM 424 N GLY A 27 -20.979 -9.471 14.274 1.00 0.00 N ATOM 425 CA GLY A 27 -20.252 -9.803 15.493 1.00 0.00 C ATOM 426 C GLY A 27 -18.874 -9.149 15.498 1.00 0.00 C ATOM 427 O GLY A 27 -18.374 -8.741 16.547 1.00 0.00 O ATOM 0 H GLY A 27 -21.222 -10.272 13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.820 -9.471 16.362 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.146 -10.885 15.575 1.00 0.00 H new ATOM 431 N ILE A 28 -18.268 -9.056 14.324 1.00 0.00 N ATOM 432 CA ILE A 28 -16.949 -8.451 14.200 1.00 0.00 C ATOM 433 C ILE A 28 -17.019 -6.955 14.447 1.00 0.00 C ATOM 434 O ILE A 28 -16.029 -6.332 14.808 1.00 0.00 O ATOM 435 CB ILE A 28 -16.372 -8.714 12.804 1.00 0.00 C ATOM 436 CG1 ILE A 28 -16.336 -10.238 12.537 1.00 0.00 C ATOM 437 CG2 ILE A 28 -14.950 -8.131 12.710 1.00 0.00 C ATOM 438 CD1 ILE A 28 -15.060 -10.853 13.138 1.00 0.00 C ATOM 0 H ILE A 28 -18.666 -9.390 13.446 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.298 -8.902 14.949 1.00 0.00 H new ATOM 0 HB ILE A 28 -17.003 -8.234 12.056 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.216 -10.712 12.972 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.369 -10.427 11.464 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.544 -8.320 11.716 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -14.985 -7.056 12.889 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -14.313 -8.603 13.458 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.047 -11.925 12.943 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.184 -10.391 12.683 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.044 -10.679 14.214 1.00 0.00 H new ATOM 450 N LEU A 29 -18.190 -6.387 14.239 1.00 0.00 N ATOM 451 CA LEU A 29 -18.379 -4.956 14.445 1.00 0.00 C ATOM 452 C LEU A 29 -18.886 -4.672 15.855 1.00 0.00 C ATOM 453 O LEU A 29 -18.445 -3.725 16.504 1.00 0.00 O ATOM 454 CB LEU A 29 -19.373 -4.420 13.423 1.00 0.00 C ATOM 455 CG LEU A 29 -19.638 -2.909 13.690 1.00 0.00 C ATOM 456 CD1 LEU A 29 -19.638 -2.139 12.369 1.00 0.00 C ATOM 457 CD2 LEU A 29 -20.999 -2.735 14.381 1.00 0.00 C ATOM 0 H LEU A 29 -19.024 -6.887 13.929 1.00 0.00 H new ATOM 0 HA LEU A 29 -17.418 -4.458 14.319 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -18.982 -4.558 12.415 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -20.307 -4.979 13.482 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.850 -2.520 14.335 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -19.824 -1.083 12.564 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -18.670 -2.253 11.881 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -20.420 -2.531 11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -21.180 -1.676 14.566 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -21.786 -3.131 13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.998 -3.274 15.329 1.00 0.00 H new ATOM 469 N ASP A 30 -19.827 -5.487 16.313 1.00 0.00 N ATOM 470 CA ASP A 30 -20.401 -5.308 17.641 1.00 0.00 C ATOM 471 C ASP A 30 -19.335 -5.454 18.721 1.00 0.00 C ATOM 472 O ASP A 30 -19.294 -4.677 19.675 1.00 0.00 O ATOM 473 CB ASP A 30 -21.507 -6.338 17.875 1.00 0.00 C ATOM 474 CG ASP A 30 -22.728 -5.996 17.025 1.00 0.00 C ATOM 475 OD1 ASP A 30 -22.774 -4.892 16.507 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.596 -6.844 16.904 1.00 0.00 O ATOM 0 H ASP A 30 -20.208 -6.275 15.788 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.818 -4.302 17.697 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.146 -7.335 17.623 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.781 -6.356 18.930 1.00 0.00 H new ATOM 481 N GLN A 31 -18.483 -6.461 18.572 1.00 0.00 N ATOM 482 CA GLN A 31 -17.430 -6.706 19.551 1.00 0.00 C ATOM 483 C GLN A 31 -16.450 -5.541 19.589 1.00 0.00 C ATOM 484 O GLN A 31 -16.094 -5.054 20.657 1.00 0.00 O ATOM 485 CB GLN A 31 -16.689 -8.006 19.200 1.00 0.00 C ATOM 486 CG GLN A 31 -17.434 -9.205 19.791 1.00 0.00 C ATOM 487 CD GLN A 31 -18.851 -9.266 19.237 1.00 0.00 C ATOM 488 OE1 GLN A 31 -19.213 -10.283 18.506 1.00 0.00 O flip ATOM 489 NE2 GLN A 31 -19.653 -8.364 19.476 1.00 0.00 N flip ATOM 0 H GLN A 31 -18.499 -7.116 17.790 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.885 -6.804 20.537 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -16.613 -8.111 18.118 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.671 -7.971 19.589 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.902 -10.126 19.553 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.463 -9.125 20.878 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -19.370 -7.568 20.048 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.601 -8.412 19.102 1.00 0.00 H new ATOM 498 N LEU A 32 -16.021 -5.096 18.418 1.00 0.00 N ATOM 499 CA LEU A 32 -15.083 -3.982 18.339 1.00 0.00 C ATOM 500 C LEU A 32 -15.699 -2.726 18.922 1.00 0.00 C ATOM 501 O LEU A 32 -15.040 -1.964 19.621 1.00 0.00 O ATOM 502 CB LEU A 32 -14.680 -3.755 16.869 1.00 0.00 C ATOM 503 CG LEU A 32 -13.523 -4.699 16.487 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.209 -4.226 17.153 1.00 0.00 C ATOM 505 CD2 LEU A 32 -13.844 -6.142 16.937 1.00 0.00 C ATOM 0 H LEU A 32 -16.302 -5.483 17.517 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.193 -4.222 18.921 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.535 -3.933 16.217 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.378 -2.718 16.722 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.401 -4.682 15.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.398 -4.900 16.877 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.973 -3.217 16.816 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.329 -4.228 18.236 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.020 -6.801 16.662 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.981 -6.164 18.018 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.758 -6.481 16.449 1.00 0.00 H new ATOM 517 N ASP A 33 -16.960 -2.512 18.632 1.00 0.00 N ATOM 518 CA ASP A 33 -17.649 -1.349 19.159 1.00 0.00 C ATOM 519 C ASP A 33 -17.769 -1.450 20.677 1.00 0.00 C ATOM 520 O ASP A 33 -17.557 -0.474 21.397 1.00 0.00 O ATOM 521 CB ASP A 33 -19.035 -1.237 18.534 1.00 0.00 C ATOM 522 CG ASP A 33 -18.914 -0.809 17.078 1.00 0.00 C ATOM 523 OD1 ASP A 33 -17.835 -0.389 16.691 1.00 0.00 O ATOM 524 OD2 ASP A 33 -19.900 -0.909 16.366 1.00 0.00 O ATOM 0 H ASP A 33 -17.529 -3.118 18.041 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.073 -0.457 18.910 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.551 -2.195 18.599 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.635 -0.514 19.086 1.00 0.00 H new ATOM 529 N LEU A 34 -18.131 -2.641 21.154 1.00 0.00 N ATOM 530 CA LEU A 34 -18.293 -2.859 22.581 1.00 0.00 C ATOM 531 C LEU A 34 -16.953 -2.812 23.302 1.00 0.00 C ATOM 532 O LEU A 34 -16.807 -2.140 24.319 1.00 0.00 O ATOM 533 CB LEU A 34 -18.960 -4.216 22.837 1.00 0.00 C ATOM 534 CG LEU A 34 -19.131 -4.446 24.351 1.00 0.00 C ATOM 535 CD1 LEU A 34 -19.992 -3.321 24.958 1.00 0.00 C ATOM 536 CD2 LEU A 34 -19.807 -5.797 24.584 1.00 0.00 C ATOM 0 H LEU A 34 -18.315 -3.460 20.574 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.925 -2.060 22.969 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.932 -4.251 22.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.355 -5.014 22.406 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.152 -4.441 24.831 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.109 -3.490 26.028 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.504 -2.360 24.793 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.973 -3.316 24.482 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.929 -5.963 25.654 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.784 -5.803 24.102 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.190 -6.590 24.162 1.00 0.00 H new ATOM 548 N VAL A 35 -15.987 -3.556 22.782 1.00 0.00 N ATOM 549 CA VAL A 35 -14.669 -3.610 23.400 1.00 0.00 C ATOM 550 C VAL A 35 -14.053 -2.216 23.471 1.00 0.00 C ATOM 551 O VAL A 35 -13.199 -1.941 24.314 1.00 0.00 O ATOM 552 CB VAL A 35 -13.748 -4.552 22.590 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.080 -3.786 21.441 1.00 0.00 C ATOM 554 CG2 VAL A 35 -12.666 -5.130 23.507 1.00 0.00 C ATOM 0 H VAL A 35 -16.089 -4.126 21.942 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.775 -3.994 24.414 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.352 -5.360 22.177 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.435 -4.462 20.880 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.846 -3.382 20.779 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.484 -2.969 21.847 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.019 -5.793 22.933 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.073 -4.318 23.926 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.135 -5.691 24.315 1.00 0.00 H new ATOM 564 N HIS A 36 -14.479 -1.348 22.560 1.00 0.00 N ATOM 565 CA HIS A 36 -13.953 0.008 22.512 1.00 0.00 C ATOM 566 C HIS A 36 -14.608 0.869 23.582 1.00 0.00 C ATOM 567 O HIS A 36 -13.938 1.638 24.268 1.00 0.00 O ATOM 568 CB HIS A 36 -14.209 0.622 21.133 1.00 0.00 C ATOM 569 CG HIS A 36 -13.632 2.010 21.088 1.00 0.00 C ATOM 570 ND1 HIS A 36 -14.365 3.127 21.457 1.00 0.00 N ATOM 571 CD2 HIS A 36 -12.395 2.478 20.719 1.00 0.00 C ATOM 572 CE1 HIS A 36 -13.570 4.203 21.304 1.00 0.00 C ATOM 573 NE2 HIS A 36 -12.358 3.863 20.857 1.00 0.00 N ATOM 0 H HIS A 36 -15.181 -1.558 21.851 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.879 -0.031 22.696 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.757 0.003 20.358 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.280 0.655 20.931 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.575 1.865 20.374 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.875 5.217 21.517 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.574 4.485 20.659 1.00 0.00 H new ATOM 581 N GLN A 37 -15.924 0.734 23.721 1.00 0.00 N ATOM 582 CA GLN A 37 -16.660 1.509 24.714 1.00 0.00 C ATOM 583 C GLN A 37 -16.619 0.812 26.074 1.00 0.00 C ATOM 584 O GLN A 37 -16.798 1.447 27.114 1.00 0.00 O ATOM 585 CB GLN A 37 -18.115 1.677 24.267 1.00 0.00 C ATOM 586 CG GLN A 37 -18.814 2.712 25.154 1.00 0.00 C ATOM 587 CD GLN A 37 -18.217 4.094 24.905 1.00 0.00 C ATOM 588 OE1 GLN A 37 -17.919 4.446 23.763 1.00 0.00 O ATOM 589 NE2 GLN A 37 -18.018 4.901 25.910 1.00 0.00 N ATOM 0 H GLN A 37 -16.498 0.101 23.164 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.192 2.489 24.807 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -18.151 1.994 23.225 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -18.636 0.722 24.327 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -19.883 2.724 24.941 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -18.701 2.441 26.204 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -18.265 4.609 26.855 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -17.615 5.824 25.751 1.00 0.00 H new ATOM 598 N ALA A 38 -16.378 -0.491 26.058 1.00 0.00 N ATOM 599 CA ALA A 38 -16.317 -1.266 27.292 1.00 0.00 C ATOM 600 C ALA A 38 -15.005 -1.008 28.022 1.00 0.00 C ATOM 601 O ALA A 38 -14.051 -0.491 27.441 1.00 0.00 O ATOM 602 CB ALA A 38 -16.447 -2.756 26.985 1.00 0.00 C ATOM 0 H ALA A 38 -16.222 -1.033 25.208 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.144 -0.956 27.931 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.400 -3.324 27.914 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.401 -2.944 26.492 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.633 -3.065 26.329 1.00 0.00 H new ATOM 608 N LYS A 39 -14.968 -1.367 29.301 1.00 0.00 N ATOM 609 CA LYS A 39 -13.769 -1.163 30.109 1.00 0.00 C ATOM 610 C LYS A 39 -13.812 -2.034 31.364 1.00 0.00 C ATOM 611 O LYS A 39 -14.846 -2.615 31.700 1.00 0.00 O ATOM 612 CB LYS A 39 -13.646 0.322 30.504 1.00 0.00 C ATOM 613 CG LYS A 39 -15.041 0.930 30.669 1.00 0.00 C ATOM 614 CD LYS A 39 -15.823 0.146 31.730 1.00 0.00 C ATOM 615 CE LYS A 39 -17.003 0.983 32.219 1.00 0.00 C ATOM 616 NZ LYS A 39 -17.916 1.266 31.076 1.00 0.00 N ATOM 0 H LYS A 39 -15.748 -1.798 29.798 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.900 -1.450 29.517 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.086 0.415 31.434 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.090 0.866 29.741 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.960 1.977 30.962 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.574 0.906 29.718 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.180 -0.795 31.312 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.170 -0.104 32.566 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.540 0.451 33.004 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.646 1.917 32.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.830 1.607 31.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.492 1.993 30.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.064 0.396 30.526 1.00 0.00 H new ATOM 630 N GLY A 40 -12.683 -2.118 32.053 1.00 0.00 N ATOM 631 CA GLY A 40 -12.602 -2.916 33.268 1.00 0.00 C ATOM 632 C GLY A 40 -12.636 -4.404 32.946 1.00 0.00 C ATOM 633 O GLY A 40 -12.115 -4.836 31.917 1.00 0.00 O ATOM 0 H GLY A 40 -11.816 -1.647 31.794 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.683 -2.677 33.804 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.431 -2.664 33.929 1.00 0.00 H new ATOM 637 N ARG A 41 -13.247 -5.184 33.829 1.00 0.00 N ATOM 638 CA ARG A 41 -13.340 -6.628 33.626 1.00 0.00 C ATOM 639 C ARG A 41 -14.258 -6.947 32.455 1.00 0.00 C ATOM 640 O ARG A 41 -14.175 -8.020 31.865 1.00 0.00 O ATOM 641 CB ARG A 41 -13.876 -7.296 34.892 1.00 0.00 C ATOM 642 CG ARG A 41 -12.997 -6.892 36.110 1.00 0.00 C ATOM 643 CD ARG A 41 -13.769 -5.918 37.002 1.00 0.00 C ATOM 644 NE ARG A 41 -14.853 -6.615 37.683 1.00 0.00 N ATOM 645 CZ ARG A 41 -15.811 -5.945 38.311 1.00 0.00 C ATOM 646 NH1 ARG A 41 -15.797 -4.640 38.317 1.00 0.00 N ATOM 647 NH2 ARG A 41 -16.768 -6.590 38.921 1.00 0.00 N ATOM 0 H ARG A 41 -13.683 -4.846 34.687 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.344 -7.010 33.405 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.910 -6.997 35.063 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.873 -8.379 34.772 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.718 -7.779 36.679 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.072 -6.430 35.766 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.096 -5.472 37.734 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.171 -5.103 36.401 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.876 -7.635 37.677 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.050 -4.136 37.839 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.533 -4.124 38.799 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.780 -7.610 38.915 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.504 -6.074 39.403 1.00 0.00 H new ATOM 661 N ASP A 42 -15.136 -6.011 32.130 1.00 0.00 N ATOM 662 CA ASP A 42 -16.071 -6.210 31.029 1.00 0.00 C ATOM 663 C ASP A 42 -15.317 -6.340 29.708 1.00 0.00 C ATOM 664 O ASP A 42 -15.721 -7.090 28.820 1.00 0.00 O ATOM 665 CB ASP A 42 -17.042 -5.031 30.949 1.00 0.00 C ATOM 666 CG ASP A 42 -18.049 -5.257 29.825 1.00 0.00 C ATOM 667 OD1 ASP A 42 -17.889 -6.225 29.099 1.00 0.00 O ATOM 668 OD2 ASP A 42 -18.962 -4.459 29.706 1.00 0.00 O ATOM 0 H ASP A 42 -15.222 -5.113 32.607 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.630 -7.128 31.211 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.565 -4.915 31.898 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.491 -4.107 30.774 1.00 0.00 H new ATOM 673 N GLN A 43 -14.220 -5.601 29.583 1.00 0.00 N ATOM 674 CA GLN A 43 -13.423 -5.635 28.362 1.00 0.00 C ATOM 675 C GLN A 43 -12.782 -7.008 28.179 1.00 0.00 C ATOM 676 O GLN A 43 -12.542 -7.447 27.055 1.00 0.00 O ATOM 677 CB GLN A 43 -12.333 -4.565 28.419 1.00 0.00 C ATOM 678 CG GLN A 43 -11.637 -4.470 27.061 1.00 0.00 C ATOM 679 CD GLN A 43 -10.516 -3.437 27.119 1.00 0.00 C ATOM 680 OE1 GLN A 43 -9.763 -3.391 28.092 1.00 0.00 O ATOM 681 NE2 GLN A 43 -10.359 -2.602 26.128 1.00 0.00 N ATOM 0 H GLN A 43 -13.864 -4.976 30.306 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.081 -5.437 27.516 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.768 -3.602 28.684 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.608 -4.811 29.194 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.232 -5.443 26.782 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.358 -4.193 26.292 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.984 -2.642 25.323 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.611 -1.909 26.158 1.00 0.00 H new ATOM 690 N ILE A 44 -12.503 -7.678 29.291 1.00 0.00 N ATOM 691 CA ILE A 44 -11.886 -9.000 29.239 1.00 0.00 C ATOM 692 C ILE A 44 -12.829 -9.999 28.574 1.00 0.00 C ATOM 693 O ILE A 44 -12.406 -10.822 27.764 1.00 0.00 O ATOM 694 CB ILE A 44 -11.548 -9.477 30.655 1.00 0.00 C ATOM 695 CG1 ILE A 44 -10.451 -8.582 31.243 1.00 0.00 C ATOM 696 CG2 ILE A 44 -11.049 -10.924 30.608 1.00 0.00 C ATOM 697 CD1 ILE A 44 -10.251 -8.909 32.727 1.00 0.00 C ATOM 0 H ILE A 44 -12.692 -7.333 30.232 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.969 -8.933 28.653 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.441 -9.423 31.277 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.518 -8.731 30.700 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.724 -7.533 31.126 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.810 -11.259 31.617 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.826 -11.563 30.188 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.156 -10.981 29.985 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.470 -8.269 33.138 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.183 -8.737 33.266 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.958 -9.953 32.833 1.00 0.00 H new ATOM 709 N ALA A 45 -14.104 -9.933 28.931 1.00 0.00 N ATOM 710 CA ALA A 45 -15.089 -10.846 28.366 1.00 0.00 C ATOM 711 C ALA A 45 -15.121 -10.728 26.843 1.00 0.00 C ATOM 712 O ALA A 45 -15.212 -11.730 26.137 1.00 0.00 O ATOM 713 CB ALA A 45 -16.475 -10.532 28.933 1.00 0.00 C ATOM 0 H ALA A 45 -14.479 -9.263 29.603 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.808 -11.865 28.633 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.207 -11.218 28.506 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.459 -10.646 30.017 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.748 -9.507 28.680 1.00 0.00 H new ATOM 719 N ALA A 46 -15.040 -9.497 26.348 1.00 0.00 N ATOM 720 CA ALA A 46 -15.055 -9.259 24.912 1.00 0.00 C ATOM 721 C ALA A 46 -13.824 -9.872 24.257 1.00 0.00 C ATOM 722 O ALA A 46 -13.900 -10.414 23.154 1.00 0.00 O ATOM 723 CB ALA A 46 -15.107 -7.749 24.636 1.00 0.00 C ATOM 0 H ALA A 46 -14.964 -8.654 26.918 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.941 -9.730 24.487 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.118 -7.576 23.560 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.009 -7.329 25.080 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.231 -7.269 25.072 1.00 0.00 H new ATOM 729 N SER A 47 -12.688 -9.764 24.937 1.00 0.00 N ATOM 730 CA SER A 47 -11.445 -10.298 24.407 1.00 0.00 C ATOM 731 C SER A 47 -11.537 -11.810 24.237 1.00 0.00 C ATOM 732 O SER A 47 -11.037 -12.369 23.259 1.00 0.00 O ATOM 733 CB SER A 47 -10.282 -9.959 25.338 1.00 0.00 C ATOM 734 OG SER A 47 -10.420 -10.688 26.548 1.00 0.00 O ATOM 0 H SER A 47 -12.605 -9.315 25.849 1.00 0.00 H new ATOM 0 HA SER A 47 -11.270 -9.843 23.432 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.334 -10.204 24.859 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.267 -8.889 25.545 1.00 0.00 H new ATOM 0 HG SER A 47 -11.289 -10.487 26.954 1.00 0.00 H new ATOM 740 N PHE A 48 -12.179 -12.464 25.197 1.00 0.00 N ATOM 741 CA PHE A 48 -12.333 -13.912 25.150 1.00 0.00 C ATOM 742 C PHE A 48 -13.128 -14.324 23.915 1.00 0.00 C ATOM 743 O PHE A 48 -12.750 -15.255 23.207 1.00 0.00 O ATOM 744 CB PHE A 48 -13.055 -14.403 26.406 1.00 0.00 C ATOM 745 CG PHE A 48 -13.188 -15.907 26.358 1.00 0.00 C ATOM 746 CD1 PHE A 48 -12.085 -16.716 26.654 1.00 0.00 C ATOM 747 CD2 PHE A 48 -14.414 -16.493 26.013 1.00 0.00 C ATOM 748 CE1 PHE A 48 -12.207 -18.111 26.610 1.00 0.00 C ATOM 749 CE2 PHE A 48 -14.535 -17.886 25.969 1.00 0.00 C ATOM 750 CZ PHE A 48 -13.432 -18.695 26.265 1.00 0.00 C ATOM 0 H PHE A 48 -12.599 -12.018 26.013 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.341 -14.362 25.101 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.501 -14.105 27.296 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.041 -13.943 26.475 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.140 -16.265 26.916 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.265 -15.869 25.781 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.357 -18.735 26.842 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -15.480 -18.337 25.706 1.00 0.00 H new ATOM 0 HZ PHE A 48 -13.526 -19.770 26.227 1.00 0.00 H new ATOM 760 N GLU A 49 -14.231 -13.626 23.664 1.00 0.00 N ATOM 761 CA GLU A 49 -15.072 -13.936 22.514 1.00 0.00 C ATOM 762 C GLU A 49 -14.327 -13.641 21.216 1.00 0.00 C ATOM 763 O GLU A 49 -14.378 -14.423 20.267 1.00 0.00 O ATOM 764 CB GLU A 49 -16.357 -13.105 22.570 1.00 0.00 C ATOM 765 CG GLU A 49 -17.345 -13.620 21.522 1.00 0.00 C ATOM 766 CD GLU A 49 -17.905 -14.970 21.956 1.00 0.00 C ATOM 767 OE1 GLU A 49 -17.639 -15.367 23.078 1.00 0.00 O ATOM 768 OE2 GLU A 49 -18.588 -15.589 21.157 1.00 0.00 O ATOM 0 H GLU A 49 -14.561 -12.849 24.236 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.325 -14.996 22.543 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.800 -13.167 23.564 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.131 -12.054 22.387 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.157 -12.904 21.392 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.848 -13.716 20.557 1.00 0.00 H new ATOM 775 N LEU A 50 -13.634 -12.510 21.183 1.00 0.00 N ATOM 776 CA LEU A 50 -12.878 -12.122 19.998 1.00 0.00 C ATOM 777 C LEU A 50 -11.786 -13.140 19.702 1.00 0.00 C ATOM 778 O LEU A 50 -11.528 -13.469 18.545 1.00 0.00 O ATOM 779 CB LEU A 50 -12.254 -10.736 20.207 1.00 0.00 C ATOM 780 CG LEU A 50 -13.323 -9.652 20.002 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.753 -8.294 20.428 1.00 0.00 C ATOM 782 CD2 LEU A 50 -13.759 -9.602 18.513 1.00 0.00 C ATOM 0 H LEU A 50 -13.579 -11.849 21.958 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.560 -12.086 19.149 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.835 -10.662 21.211 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.432 -10.587 19.507 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.196 -9.888 20.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.508 -7.521 20.284 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.469 -8.332 21.480 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.876 -8.062 19.823 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.517 -8.830 18.382 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.895 -9.373 17.889 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.171 -10.568 18.222 1.00 0.00 H new ATOM 794 N ASN A 51 -11.141 -13.627 20.754 1.00 0.00 N ATOM 795 CA ASN A 51 -10.070 -14.598 20.592 1.00 0.00 C ATOM 796 C ASN A 51 -10.584 -15.835 19.870 1.00 0.00 C ATOM 797 O ASN A 51 -9.904 -16.385 19.003 1.00 0.00 O ATOM 798 CB ASN A 51 -9.515 -14.995 21.964 1.00 0.00 C ATOM 799 CG ASN A 51 -8.743 -13.830 22.574 1.00 0.00 C ATOM 800 OD1 ASN A 51 -8.465 -12.784 21.843 1.00 0.00 O flip ATOM 801 ND2 ASN A 51 -8.387 -13.870 23.752 1.00 0.00 N flip ATOM 0 H ASN A 51 -11.339 -13.368 21.720 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.275 -14.147 19.998 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.331 -15.286 22.625 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.862 -15.862 21.864 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.604 -14.687 24.323 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.875 -13.086 24.157 1.00 0.00 H new ATOM 808 N LYS A 52 -11.790 -16.265 20.223 1.00 0.00 N ATOM 809 CA LYS A 52 -12.384 -17.434 19.590 1.00 0.00 C ATOM 810 C LYS A 52 -12.624 -17.173 18.108 1.00 0.00 C ATOM 811 O LYS A 52 -12.326 -18.016 17.263 1.00 0.00 O ATOM 812 CB LYS A 52 -13.716 -17.770 20.270 1.00 0.00 C ATOM 813 CG LYS A 52 -13.455 -18.117 21.737 1.00 0.00 C ATOM 814 CD LYS A 52 -12.760 -19.510 21.853 1.00 0.00 C ATOM 815 CE LYS A 52 -11.357 -19.338 22.430 1.00 0.00 C ATOM 816 NZ LYS A 52 -10.638 -20.636 22.359 1.00 0.00 N ATOM 0 H LYS A 52 -12.370 -15.826 20.938 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.696 -18.273 19.695 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.398 -16.923 20.200 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.195 -18.608 19.765 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.827 -17.351 22.192 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.396 -18.126 22.288 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.348 -20.169 22.492 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.705 -19.983 20.872 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.812 -18.576 21.873 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.415 -18.997 23.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.681 -20.525 22.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.156 -21.351 22.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.572 -20.943 21.367 1.00 0.00 H new ATOM 830 N LYS A 53 -13.168 -15.998 17.806 1.00 0.00 N ATOM 831 CA LYS A 53 -13.445 -15.638 16.423 1.00 0.00 C ATOM 832 C LYS A 53 -12.148 -15.513 15.630 1.00 0.00 C ATOM 833 O LYS A 53 -12.028 -16.054 14.530 1.00 0.00 O ATOM 834 CB LYS A 53 -14.205 -14.310 16.366 1.00 0.00 C ATOM 835 CG LYS A 53 -15.606 -14.495 16.942 1.00 0.00 C ATOM 836 CD LYS A 53 -16.389 -13.187 16.810 1.00 0.00 C ATOM 837 CE LYS A 53 -17.788 -13.369 17.393 1.00 0.00 C ATOM 838 NZ LYS A 53 -18.681 -12.280 16.905 1.00 0.00 N ATOM 0 H LYS A 53 -13.423 -15.288 18.492 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.056 -16.426 15.982 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.667 -13.548 16.930 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.268 -13.960 15.336 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.124 -15.296 16.415 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.544 -14.790 17.989 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.868 -12.385 17.332 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.456 -12.895 15.762 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.190 -14.340 17.103 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.743 -13.355 18.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.045 -11.740 17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.145 -11.646 16.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.478 -12.694 16.379 1.00 0.00 H new ATOM 852 N ILE A 54 -11.183 -14.795 16.194 1.00 0.00 N ATOM 853 CA ILE A 54 -9.905 -14.602 15.525 1.00 0.00 C ATOM 854 C ILE A 54 -9.144 -15.923 15.438 1.00 0.00 C ATOM 855 O ILE A 54 -8.601 -16.270 14.388 1.00 0.00 O ATOM 856 CB ILE A 54 -9.065 -13.578 16.294 1.00 0.00 C ATOM 857 CG1 ILE A 54 -9.745 -12.207 16.224 1.00 0.00 C ATOM 858 CG2 ILE A 54 -7.668 -13.479 15.669 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.050 -11.239 17.182 1.00 0.00 C ATOM 0 H ILE A 54 -11.261 -14.341 17.104 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.093 -14.235 14.516 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.976 -13.894 17.333 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.702 -11.820 15.206 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.799 -12.299 16.486 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.074 -12.749 16.219 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.180 -14.452 15.714 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.756 -13.165 14.629 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.536 -10.265 17.130 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.116 -11.624 18.200 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.002 -11.138 16.900 1.00 0.00 H new ATOM 871 N ASN A 55 -9.110 -16.651 16.547 1.00 0.00 N ATOM 872 CA ASN A 55 -8.413 -17.930 16.585 1.00 0.00 C ATOM 873 C ASN A 55 -9.077 -18.934 15.648 1.00 0.00 C ATOM 874 O ASN A 55 -8.404 -19.636 14.892 1.00 0.00 O ATOM 875 CB ASN A 55 -8.411 -18.485 18.009 1.00 0.00 C ATOM 876 CG ASN A 55 -7.688 -19.828 18.048 1.00 0.00 C ATOM 877 OD1 ASN A 55 -7.310 -20.360 17.004 1.00 0.00 O ATOM 878 ND2 ASN A 55 -7.472 -20.410 19.195 1.00 0.00 N ATOM 0 H ASN A 55 -9.553 -16.381 17.425 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.386 -17.768 16.257 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.922 -17.780 18.681 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.435 -18.604 18.362 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.989 -21.308 19.228 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.786 -19.967 20.059 1.00 0.00 H new ATOM 885 N ASP A 56 -10.403 -18.999 15.709 1.00 0.00 N ATOM 886 CA ASP A 56 -11.156 -19.922 14.870 1.00 0.00 C ATOM 887 C ASP A 56 -10.974 -19.579 13.397 1.00 0.00 C ATOM 888 O ASP A 56 -10.854 -20.467 12.552 1.00 0.00 O ATOM 889 CB ASP A 56 -12.642 -19.867 15.229 1.00 0.00 C ATOM 890 CG ASP A 56 -13.433 -20.804 14.323 1.00 0.00 C ATOM 891 OD1 ASP A 56 -12.811 -21.593 13.631 1.00 0.00 O ATOM 892 OD2 ASP A 56 -14.651 -20.721 14.336 1.00 0.00 O ATOM 0 H ASP A 56 -10.976 -18.426 16.328 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.779 -20.929 15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.783 -20.151 16.272 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.012 -18.847 15.123 1.00 0.00 H new ATOM 897 N TYR A 57 -10.961 -18.287 13.096 1.00 0.00 N ATOM 898 CA TYR A 57 -10.801 -17.834 11.719 1.00 0.00 C ATOM 899 C TYR A 57 -9.505 -18.377 11.129 1.00 0.00 C ATOM 900 O TYR A 57 -9.470 -18.804 9.975 1.00 0.00 O ATOM 901 CB TYR A 57 -10.785 -16.305 11.671 1.00 0.00 C ATOM 902 CG TYR A 57 -10.653 -15.849 10.238 1.00 0.00 C ATOM 903 CD1 TYR A 57 -11.770 -15.872 9.393 1.00 0.00 C ATOM 904 CD2 TYR A 57 -9.418 -15.399 9.753 1.00 0.00 C ATOM 905 CE1 TYR A 57 -11.651 -15.449 8.064 1.00 0.00 C ATOM 906 CE2 TYR A 57 -9.301 -14.977 8.423 1.00 0.00 C ATOM 907 CZ TYR A 57 -10.417 -15.001 7.579 1.00 0.00 C ATOM 908 OH TYR A 57 -10.300 -14.583 6.270 1.00 0.00 O ATOM 0 H TYR A 57 -11.059 -17.538 13.781 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.641 -18.206 11.131 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.701 -15.907 12.108 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.956 -15.920 12.264 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -12.723 -16.216 9.767 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.557 -15.378 10.404 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.512 -15.468 7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.348 -14.633 8.048 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.377 -14.303 6.097 1.00 0.00 H new ATOM 918 N ILE A 58 -8.442 -18.358 11.924 1.00 0.00 N ATOM 919 CA ILE A 58 -7.149 -18.852 11.464 1.00 0.00 C ATOM 920 C ILE A 58 -7.235 -20.338 11.129 1.00 0.00 C ATOM 921 O ILE A 58 -6.714 -20.784 10.108 1.00 0.00 O ATOM 922 CB ILE A 58 -6.091 -18.629 12.548 1.00 0.00 C ATOM 923 CG1 ILE A 58 -5.842 -17.128 12.716 1.00 0.00 C ATOM 924 CG2 ILE A 58 -4.783 -19.319 12.146 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.012 -16.885 13.979 1.00 0.00 C ATOM 0 H ILE A 58 -8.448 -18.009 12.882 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.867 -18.304 10.565 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.446 -19.049 13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.319 -16.736 11.844 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.791 -16.597 12.784 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.033 -19.157 12.921 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.957 -20.388 12.027 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.427 -18.903 11.204 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.835 -15.816 14.098 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.552 -17.262 14.847 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.057 -17.403 13.892 1.00 0.00 H new ATOM 937 N ALA A 59 -7.891 -21.099 11.997 1.00 0.00 N ATOM 938 CA ALA A 59 -8.037 -22.535 11.783 1.00 0.00 C ATOM 939 C ALA A 59 -8.824 -22.808 10.507 1.00 0.00 C ATOM 940 O ALA A 59 -8.550 -23.773 9.792 1.00 0.00 O ATOM 941 CB ALA A 59 -8.756 -23.170 12.972 1.00 0.00 C ATOM 0 H ALA A 59 -8.328 -20.750 12.850 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.043 -22.971 11.685 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.861 -24.242 12.804 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.178 -23.000 13.880 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.744 -22.722 13.082 1.00 0.00 H new ATOM 947 N GLU A 60 -9.803 -21.954 10.229 1.00 0.00 N ATOM 948 CA GLU A 60 -10.624 -22.109 9.034 1.00 0.00 C ATOM 949 C GLU A 60 -9.828 -21.765 7.780 1.00 0.00 C ATOM 950 O GLU A 60 -9.939 -22.440 6.760 1.00 0.00 O ATOM 951 CB GLU A 60 -11.851 -21.200 9.124 1.00 0.00 C ATOM 952 CG GLU A 60 -12.784 -21.706 10.226 1.00 0.00 C ATOM 953 CD GLU A 60 -13.407 -23.036 9.812 1.00 0.00 C ATOM 954 OE1 GLU A 60 -13.444 -23.304 8.622 1.00 0.00 O ATOM 955 OE2 GLU A 60 -13.839 -23.764 10.690 1.00 0.00 O ATOM 0 H GLU A 60 -10.046 -21.152 10.811 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.942 -23.150 8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.543 -20.176 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.375 -21.184 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.229 -21.829 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.567 -20.972 10.417 1.00 0.00 H new ATOM 962 N HIS A 61 -9.029 -20.703 7.864 1.00 0.00 N ATOM 963 CA HIS A 61 -8.215 -20.267 6.725 1.00 0.00 C ATOM 964 C HIS A 61 -6.810 -19.890 7.183 1.00 0.00 C ATOM 965 O HIS A 61 -6.414 -18.729 7.112 1.00 0.00 O ATOM 966 CB HIS A 61 -8.877 -19.068 6.050 1.00 0.00 C ATOM 967 CG HIS A 61 -10.356 -19.317 5.926 1.00 0.00 C ATOM 968 ND1 HIS A 61 -11.296 -18.495 6.525 1.00 0.00 N ATOM 969 CD2 HIS A 61 -11.072 -20.290 5.271 1.00 0.00 C ATOM 970 CE1 HIS A 61 -12.514 -18.983 6.224 1.00 0.00 C ATOM 971 NE2 HIS A 61 -12.434 -20.076 5.462 1.00 0.00 N ATOM 0 H HIS A 61 -8.926 -20.130 8.702 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.140 -21.090 6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.697 -18.164 6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.441 -18.905 5.065 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -11.101 -17.670 7.091 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.643 -21.097 4.696 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -13.442 -18.544 6.558 1.00 0.00 H new ATOM 979 N PRO A 62 -6.055 -20.850 7.657 1.00 0.00 N ATOM 980 CA PRO A 62 -4.665 -20.617 8.142 1.00 0.00 C ATOM 981 C PRO A 62 -3.687 -20.401 6.989 1.00 0.00 C ATOM 982 O PRO A 62 -2.624 -19.806 7.168 1.00 0.00 O ATOM 983 CB PRO A 62 -4.335 -21.898 8.924 1.00 0.00 C ATOM 984 CG PRO A 62 -5.197 -22.964 8.317 1.00 0.00 C ATOM 985 CD PRO A 62 -6.449 -22.264 7.774 1.00 0.00 C ATOM 0 HA PRO A 62 -4.583 -19.715 8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.278 -22.150 8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.548 -21.777 9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.666 -23.482 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.465 -23.714 9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.747 -22.675 6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.297 -22.386 8.448 1.00 0.00 H new ATOM 993 N THR A 63 -4.050 -20.896 5.812 1.00 0.00 N ATOM 994 CA THR A 63 -3.194 -20.759 4.642 1.00 0.00 C ATOM 995 C THR A 63 -3.266 -19.341 4.088 1.00 0.00 C ATOM 996 O THR A 63 -2.338 -18.874 3.427 1.00 0.00 O ATOM 997 CB THR A 63 -3.620 -21.756 3.561 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.968 -21.503 3.193 1.00 0.00 O ATOM 999 CG2 THR A 63 -3.495 -23.182 4.100 1.00 0.00 C ATOM 0 H THR A 63 -4.925 -21.392 5.644 1.00 0.00 H new ATOM 0 HA THR A 63 -2.167 -20.967 4.941 1.00 0.00 H new ATOM 0 HB THR A 63 -2.977 -21.644 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.243 -22.139 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.799 -23.890 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.460 -23.375 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.137 -23.299 4.973 1.00 0.00 H new ATOM 1007 N SER A 64 -4.374 -18.661 4.363 1.00 0.00 N ATOM 1008 CA SER A 64 -4.558 -17.295 3.887 1.00 0.00 C ATOM 1009 C SER A 64 -3.625 -16.342 4.625 1.00 0.00 C ATOM 1010 O SER A 64 -3.426 -16.463 5.833 1.00 0.00 O ATOM 1011 CB SER A 64 -6.009 -16.861 4.099 1.00 0.00 C ATOM 1012 OG SER A 64 -6.142 -15.488 3.756 1.00 0.00 O ATOM 0 H SER A 64 -5.153 -19.030 4.909 1.00 0.00 H new ATOM 0 HA SER A 64 -4.322 -17.264 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.676 -17.467 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.300 -17.018 5.138 1.00 0.00 H new ATOM 0 HG SER A 64 -7.071 -15.206 3.889 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.056 -15.393 3.889 1.00 0.00 N ATOM 1019 CA GLY A 65 -2.144 -14.421 4.483 1.00 0.00 C ATOM 1020 C GLY A 65 -2.913 -13.293 5.162 1.00 0.00 C ATOM 1021 O GLY A 65 -2.382 -12.591 6.018 1.00 0.00 O ATOM 0 H GLY A 65 -3.208 -15.276 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.502 -14.917 5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.493 -14.009 3.712 1.00 0.00 H new ATOM 1025 N ARG A 66 -4.171 -13.124 4.772 1.00 0.00 N ATOM 1026 CA ARG A 66 -5.009 -12.077 5.351 1.00 0.00 C ATOM 1027 C ARG A 66 -5.228 -12.327 6.837 1.00 0.00 C ATOM 1028 O ARG A 66 -5.316 -11.386 7.627 1.00 0.00 O ATOM 1029 CB ARG A 66 -6.361 -12.024 4.620 1.00 0.00 C ATOM 1030 CG ARG A 66 -6.224 -11.205 3.333 1.00 0.00 C ATOM 1031 CD ARG A 66 -5.212 -11.870 2.403 1.00 0.00 C ATOM 1032 NE ARG A 66 -5.523 -13.286 2.251 1.00 0.00 N ATOM 1033 CZ ARG A 66 -4.713 -14.099 1.582 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -3.617 -13.634 1.048 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -5.014 -15.363 1.459 1.00 0.00 N ATOM 0 H ARG A 66 -4.632 -13.693 4.062 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.501 -11.120 5.233 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.697 -13.034 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.117 -11.578 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.191 -11.126 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.903 -10.190 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.226 -11.381 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.206 -11.752 2.805 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.377 -13.659 2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.382 -12.646 1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.995 -14.258 0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.871 -15.726 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.392 -15.988 0.945 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.324 -13.596 7.209 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.542 -13.956 8.603 1.00 0.00 C ATOM 1051 C ASN A 67 -4.424 -13.399 9.479 1.00 0.00 C ATOM 1052 O ASN A 67 -4.564 -13.312 10.699 1.00 0.00 O ATOM 1053 CB ASN A 67 -5.600 -15.478 8.747 1.00 0.00 C ATOM 1054 CG ASN A 67 -4.229 -16.080 8.457 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -3.331 -15.382 7.989 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -4.014 -17.342 8.710 1.00 0.00 N ATOM 0 H ASN A 67 -5.255 -14.388 6.570 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.490 -13.527 8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.918 -15.745 9.755 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.340 -15.889 8.060 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.100 -17.752 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.760 -17.919 9.098 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.316 -13.025 8.849 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.181 -12.477 9.582 1.00 0.00 C ATOM 1065 C GLN A 68 -2.558 -11.156 10.242 1.00 0.00 C ATOM 1066 O GLN A 68 -2.175 -10.893 11.380 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.004 -12.254 8.631 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.566 -13.593 8.036 1.00 0.00 C ATOM 1069 CD GLN A 68 0.004 -14.491 9.130 1.00 0.00 C ATOM 1070 OE1 GLN A 68 0.877 -14.067 9.887 1.00 0.00 O ATOM 1071 NE2 GLN A 68 -0.439 -15.711 9.260 1.00 0.00 N ATOM 0 H GLN A 68 -3.180 -13.090 7.840 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.894 -13.189 10.356 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.291 -11.567 7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.174 -11.793 9.166 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.415 -14.083 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.184 -13.428 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.163 -16.061 8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.062 -16.315 9.990 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.313 -10.330 9.521 1.00 0.00 N ATOM 1081 CA ALA A 69 -3.739 -9.038 10.051 1.00 0.00 C ATOM 1082 C ALA A 69 -4.793 -9.229 11.131 1.00 0.00 C ATOM 1083 O ALA A 69 -4.820 -8.509 12.119 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.307 -8.174 8.923 1.00 0.00 C ATOM 0 H ALA A 69 -3.640 -10.530 8.576 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.874 -8.539 10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.623 -7.212 9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.540 -8.016 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.163 -8.678 8.474 1.00 0.00 H new ATOM 1090 N LEU A 70 -5.665 -10.202 10.934 1.00 0.00 N ATOM 1091 CA LEU A 70 -6.713 -10.472 11.904 1.00 0.00 C ATOM 1092 C LEU A 70 -6.118 -10.916 13.237 1.00 0.00 C ATOM 1093 O LEU A 70 -6.624 -10.564 14.305 1.00 0.00 O ATOM 1094 CB LEU A 70 -7.652 -11.563 11.373 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.003 -11.499 12.112 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -9.916 -10.460 11.448 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -9.679 -12.873 12.064 1.00 0.00 C ATOM 0 H LEU A 70 -5.670 -10.814 10.118 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.276 -9.552 12.062 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.807 -11.432 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.198 -12.544 11.511 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.827 -11.212 13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.868 -10.422 11.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.440 -9.480 11.486 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.089 -10.739 10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.634 -12.827 12.587 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.847 -13.160 11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.037 -13.611 12.545 1.00 0.00 H new ATOM 1109 N THR A 71 -5.054 -11.705 13.167 1.00 0.00 N ATOM 1110 CA THR A 71 -4.402 -12.208 14.367 1.00 0.00 C ATOM 1111 C THR A 71 -3.840 -11.058 15.197 1.00 0.00 C ATOM 1112 O THR A 71 -3.623 -11.198 16.400 1.00 0.00 O ATOM 1113 CB THR A 71 -3.272 -13.166 13.989 1.00 0.00 C ATOM 1114 OG1 THR A 71 -3.762 -14.140 13.079 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.740 -13.856 15.245 1.00 0.00 C ATOM 0 H THR A 71 -4.625 -12.010 12.293 1.00 0.00 H new ATOM 0 HA THR A 71 -5.145 -12.740 14.961 1.00 0.00 H new ATOM 0 HB THR A 71 -2.464 -12.605 13.519 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.754 -13.772 12.171 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.935 -14.538 14.972 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.361 -13.106 15.939 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.545 -14.417 15.721 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.600 -9.928 14.544 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.053 -8.762 15.229 1.00 0.00 C ATOM 1125 C GLN A 72 -4.009 -8.277 16.314 1.00 0.00 C ATOM 1126 O GLN A 72 -3.582 -7.784 17.356 1.00 0.00 O ATOM 1127 CB GLN A 72 -2.804 -7.636 14.230 1.00 0.00 C ATOM 1128 CG GLN A 72 -1.766 -8.083 13.200 1.00 0.00 C ATOM 1129 CD GLN A 72 -0.405 -8.248 13.867 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -0.126 -9.288 14.464 1.00 0.00 O ATOM 1131 NE2 GLN A 72 0.463 -7.277 13.801 1.00 0.00 N ATOM 0 H GLN A 72 -3.774 -9.793 13.548 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.110 -9.051 15.693 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.735 -7.368 13.730 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.454 -6.745 14.751 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.074 -9.025 12.747 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.700 -7.349 12.397 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.229 -6.417 13.306 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.376 -7.378 14.245 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.304 -8.412 16.059 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.309 -7.977 17.021 1.00 0.00 C ATOM 1142 C LEU A 73 -6.196 -8.771 18.315 1.00 0.00 C ATOM 1143 O LEU A 73 -6.368 -8.222 19.403 1.00 0.00 O ATOM 1144 CB LEU A 73 -7.709 -8.161 16.419 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.019 -6.997 15.450 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.009 -7.469 14.383 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -8.637 -5.829 16.231 1.00 0.00 C ATOM 0 H LEU A 73 -5.681 -8.816 15.202 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.143 -6.924 17.248 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.765 -9.112 15.889 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.455 -8.194 17.213 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.095 -6.670 14.973 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.227 -6.648 13.700 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.575 -8.299 13.825 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.931 -7.797 14.862 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.855 -5.009 15.547 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.560 -6.158 16.709 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.935 -5.489 16.993 1.00 0.00 H new ATOM 1159 N LYS A 74 -5.927 -10.060 18.189 1.00 0.00 N ATOM 1160 CA LYS A 74 -5.816 -10.914 19.364 1.00 0.00 C ATOM 1161 C LYS A 74 -4.752 -10.380 20.320 1.00 0.00 C ATOM 1162 O LYS A 74 -5.025 -10.146 21.495 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.436 -12.327 18.932 1.00 0.00 C ATOM 1164 CG LYS A 74 -5.465 -13.265 20.145 1.00 0.00 C ATOM 1165 CD LYS A 74 -4.983 -14.663 19.739 1.00 0.00 C ATOM 1166 CE LYS A 74 -6.092 -15.409 18.991 1.00 0.00 C ATOM 1167 NZ LYS A 74 -5.688 -16.825 18.796 1.00 0.00 N ATOM 0 H LYS A 74 -5.783 -10.535 17.298 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.778 -10.925 19.877 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.128 -12.683 18.169 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.442 -12.326 18.485 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.830 -12.868 20.937 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.477 -13.323 20.546 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.099 -14.581 19.106 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.690 -15.226 20.625 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.023 -15.359 19.555 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.278 -14.936 18.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.033 -17.161 17.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.651 -16.897 18.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.097 -17.410 19.552 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.545 -10.189 19.804 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.449 -9.677 20.623 1.00 0.00 C ATOM 1183 C GLU A 75 -2.717 -8.237 21.040 1.00 0.00 C ATOM 1184 O GLU A 75 -2.331 -7.815 22.129 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.134 -9.754 19.844 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.298 -9.056 18.495 1.00 0.00 C ATOM 1187 CD GLU A 75 -0.004 -9.154 17.694 1.00 0.00 C ATOM 1188 OE1 GLU A 75 0.619 -10.202 17.738 1.00 0.00 O ATOM 1189 OE2 GLU A 75 0.345 -8.180 17.046 1.00 0.00 O ATOM 0 H GLU A 75 -3.299 -10.378 18.832 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.374 -10.291 21.520 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.333 -9.283 20.414 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.848 -10.795 19.694 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.116 -9.513 17.937 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.562 -8.010 18.648 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.370 -7.482 20.161 1.00 0.00 N ATOM 1197 CA GLN A 76 -3.671 -6.085 20.449 1.00 0.00 C ATOM 1198 C GLN A 76 -4.608 -5.975 21.650 1.00 0.00 C ATOM 1199 O GLN A 76 -4.310 -5.280 22.619 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.326 -5.433 19.231 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.381 -3.917 19.422 1.00 0.00 C ATOM 1202 CD GLN A 76 -2.984 -3.325 19.264 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -2.212 -3.286 20.222 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -2.611 -2.861 18.103 1.00 0.00 N ATOM 0 H GLN A 76 -3.698 -7.811 19.253 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.738 -5.571 20.681 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.762 -5.675 18.330 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.332 -5.828 19.093 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.058 -3.474 18.692 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.777 -3.680 20.409 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.252 -2.894 17.311 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.678 -2.465 17.988 1.00 0.00 H new ATOM 1213 N VAL A 77 -5.738 -6.673 21.579 1.00 0.00 N ATOM 1214 CA VAL A 77 -6.709 -6.650 22.667 1.00 0.00 C ATOM 1215 C VAL A 77 -6.088 -7.211 23.944 1.00 0.00 C ATOM 1216 O VAL A 77 -6.247 -6.644 25.024 1.00 0.00 O ATOM 1217 CB VAL A 77 -7.940 -7.471 22.287 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.912 -7.505 23.468 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -8.626 -6.831 21.080 1.00 0.00 C ATOM 0 H VAL A 77 -6.002 -7.257 20.786 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.008 -5.617 22.845 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.637 -8.487 22.035 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.791 -8.090 23.199 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.423 -7.960 24.329 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.216 -6.489 23.719 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.504 -7.416 20.808 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.930 -5.815 21.331 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.933 -6.805 20.239 1.00 0.00 H new ATOM 1229 N THR A 78 -5.381 -8.327 23.810 1.00 0.00 N ATOM 1230 CA THR A 78 -4.736 -8.956 24.958 1.00 0.00 C ATOM 1231 C THR A 78 -3.744 -7.998 25.611 1.00 0.00 C ATOM 1232 O THR A 78 -3.694 -7.883 26.836 1.00 0.00 O ATOM 1233 CB THR A 78 -4.010 -10.228 24.519 1.00 0.00 C ATOM 1234 OG1 THR A 78 -4.890 -11.034 23.749 1.00 0.00 O ATOM 1235 CG2 THR A 78 -3.538 -11.002 25.751 1.00 0.00 C ATOM 0 H THR A 78 -5.240 -8.813 22.924 1.00 0.00 H new ATOM 0 HA THR A 78 -5.506 -9.212 25.686 1.00 0.00 H new ATOM 0 HB THR A 78 -3.144 -9.962 23.913 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.661 -10.953 22.799 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.021 -11.908 25.435 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.858 -10.380 26.333 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.399 -11.270 26.364 1.00 0.00 H new ATOM 1243 N SER A 79 -2.957 -7.319 24.786 1.00 0.00 N ATOM 1244 CA SER A 79 -1.967 -6.376 25.291 1.00 0.00 C ATOM 1245 C SER A 79 -2.647 -5.233 26.036 1.00 0.00 C ATOM 1246 O SER A 79 -2.152 -4.767 27.063 1.00 0.00 O ATOM 1247 CB SER A 79 -1.140 -5.815 24.134 1.00 0.00 C ATOM 1248 OG SER A 79 -0.423 -4.672 24.582 1.00 0.00 O ATOM 0 H SER A 79 -2.984 -7.403 23.770 1.00 0.00 H new ATOM 0 HA SER A 79 -1.310 -6.904 25.982 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.448 -6.572 23.766 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.791 -5.547 23.302 1.00 0.00 H new ATOM 0 HG SER A 79 0.110 -4.310 23.844 1.00 0.00 H new ATOM 1254 N ALA A 80 -3.780 -4.780 25.509 1.00 0.00 N ATOM 1255 CA ALA A 80 -4.516 -3.687 26.133 1.00 0.00 C ATOM 1256 C ALA A 80 -4.892 -4.040 27.567 1.00 0.00 C ATOM 1257 O ALA A 80 -4.842 -3.192 28.457 1.00 0.00 O ATOM 1258 CB ALA A 80 -5.782 -3.382 25.328 1.00 0.00 C ATOM 0 H ALA A 80 -4.205 -5.149 24.659 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.875 -2.806 26.147 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.326 -2.564 25.801 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.507 -3.096 24.313 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.415 -4.269 25.296 1.00 0.00 H new ATOM 1264 N LEU A 81 -5.264 -5.295 27.784 1.00 0.00 N ATOM 1265 CA LEU A 81 -5.644 -5.748 29.117 1.00 0.00 C ATOM 1266 C LEU A 81 -4.446 -5.721 30.055 1.00 0.00 C ATOM 1267 O LEU A 81 -4.596 -5.529 31.260 1.00 0.00 O ATOM 1268 CB LEU A 81 -6.202 -7.170 29.038 1.00 0.00 C ATOM 1269 CG LEU A 81 -7.442 -7.178 28.138 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -7.899 -8.627 27.917 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -8.585 -6.375 28.793 1.00 0.00 C ATOM 0 H LEU A 81 -5.311 -6.013 27.061 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.408 -5.076 29.508 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.446 -7.848 28.641 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.460 -7.528 30.035 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.190 -6.718 27.183 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.781 -8.637 27.277 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.098 -9.192 27.440 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.142 -9.082 28.877 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.459 -6.389 28.142 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.840 -6.823 29.754 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.264 -5.345 28.947 1.00 0.00 H new