USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 73 ASN : amide:sc= -1.22 K(o=-8.8,f=-4.9) USER MOD Set 1.2: A 76 GLN : amide:sc= -7.56! C(o=-8.8!,f=-4.4!) USER MOD Set 2.1: A 24 ASN : amide:sc= -1.41 K(o=-4.9,f=-6.2!) USER MOD Set 2.2: A 25 ASN : amide:sc= -0.344 K(o=-4.9,f=-1.7) USER MOD Set 2.3: A 66 GLN : amide:sc= -3.19! K(o=-4.9!,f=-1.7) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -1.42 (180deg=-1.53) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.12) USER MOD Single : A 14 GLN : amide:sc= -5.45! C(o=-5.5!,f=-12!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.004) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 148:sc= -0.379 (180deg=-1.77!) USER MOD Single : A 52 THR OG1 : rot -53:sc= 0.502 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 170:sc= -1.28 USER MOD Single : A 64 THR OG1 : rot -153:sc= -3.97! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.534 -13.150 -14.312 1.00 0.00 N ATOM 2 CA SER A 1 -5.052 -12.044 -13.524 1.00 0.00 C ATOM 3 C SER A 1 -3.898 -11.285 -12.866 1.00 0.00 C ATOM 4 O SER A 1 -3.148 -11.854 -12.073 1.00 0.00 O ATOM 5 CB SER A 1 -6.036 -12.538 -12.462 1.00 0.00 C ATOM 6 OG SER A 1 -7.068 -11.588 -12.207 1.00 0.00 O ATOM 0 H1 SER A 1 -5.324 -13.660 -14.756 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.901 -12.783 -15.051 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.006 -13.799 -13.694 1.00 0.00 H new ATOM 0 HA SER A 1 -5.588 -11.370 -14.192 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.481 -13.478 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.498 -12.745 -11.537 1.00 0.00 H new ATOM 0 HG SER A 1 -7.676 -11.941 -11.525 1.00 0.00 H new ATOM 12 N THR A 2 -3.791 -10.013 -13.218 1.00 0.00 N ATOM 13 CA THR A 2 -2.741 -9.170 -12.672 1.00 0.00 C ATOM 14 C THR A 2 -3.016 -8.863 -11.199 1.00 0.00 C ATOM 15 O THR A 2 -4.159 -8.933 -10.749 1.00 0.00 O ATOM 16 CB THR A 2 -2.637 -7.918 -13.545 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.967 -7.407 -13.579 1.00 0.00 O ATOM 18 CG2 THR A 2 -2.327 -8.247 -15.007 1.00 0.00 C ATOM 0 H THR A 2 -4.415 -9.545 -13.875 1.00 0.00 H new ATOM 0 HA THR A 2 -1.776 -9.677 -12.691 1.00 0.00 H new ATOM 0 HB THR A 2 -1.862 -7.263 -13.148 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.991 -6.592 -14.123 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.264 -7.323 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.377 -8.777 -15.067 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.119 -8.875 -15.415 1.00 0.00 H new ATOM 26 N ILE A 3 -1.949 -8.529 -10.488 1.00 0.00 N ATOM 27 CA ILE A 3 -2.061 -8.211 -9.074 1.00 0.00 C ATOM 28 C ILE A 3 -2.624 -6.797 -8.918 1.00 0.00 C ATOM 29 O ILE A 3 -3.382 -6.526 -7.988 1.00 0.00 O ATOM 30 CB ILE A 3 -0.720 -8.420 -8.370 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.070 -9.557 -9.022 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.918 -8.647 -6.870 1.00 0.00 C ATOM 33 CD1 ILE A 3 1.158 -9.008 -9.947 1.00 0.00 C ATOM 0 H ILE A 3 -1.003 -8.472 -10.864 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.760 -8.889 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.129 -7.511 -8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.524 -10.179 -8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.607 -10.196 -9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.051 -8.793 -6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.411 -7.779 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.536 -9.531 -6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.705 -9.836 -10.398 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.699 -8.407 -10.732 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.847 -8.389 -9.372 1.00 0.00 H new ATOM 45 N GLU A 4 -2.231 -5.932 -9.841 1.00 0.00 N ATOM 46 CA GLU A 4 -2.686 -4.553 -9.817 1.00 0.00 C ATOM 47 C GLU A 4 -4.149 -4.484 -9.373 1.00 0.00 C ATOM 48 O GLU A 4 -4.567 -3.510 -8.750 1.00 0.00 O ATOM 49 CB GLU A 4 -2.496 -3.888 -11.182 1.00 0.00 C ATOM 50 CG GLU A 4 -3.392 -2.656 -11.322 1.00 0.00 C ATOM 51 CD GLU A 4 -3.123 -1.930 -12.642 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.106 -1.233 -12.771 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.017 -2.110 -13.555 1.00 0.00 O ATOM 0 H GLU A 4 -1.602 -6.160 -10.611 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.081 -4.005 -9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.452 -3.599 -11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.727 -4.601 -11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.439 -2.956 -11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.217 -1.977 -10.487 1.00 0.00 H new ATOM 61 N GLU A 5 -4.886 -5.532 -9.712 1.00 0.00 N ATOM 62 CA GLU A 5 -6.293 -5.603 -9.356 1.00 0.00 C ATOM 63 C GLU A 5 -6.477 -5.331 -7.862 1.00 0.00 C ATOM 64 O GLU A 5 -7.222 -4.430 -7.478 1.00 0.00 O ATOM 65 CB GLU A 5 -6.889 -6.957 -9.745 1.00 0.00 C ATOM 66 CG GLU A 5 -8.174 -7.235 -8.963 1.00 0.00 C ATOM 67 CD GLU A 5 -9.219 -7.917 -9.849 1.00 0.00 C ATOM 68 OE1 GLU A 5 -10.052 -7.234 -10.463 1.00 0.00 O ATOM 69 OE2 GLU A 5 -9.145 -9.204 -9.887 1.00 0.00 O ATOM 0 H GLU A 5 -4.535 -6.338 -10.229 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.828 -4.834 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.099 -6.972 -10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.163 -7.747 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.951 -7.868 -8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.577 -6.300 -8.574 1.00 0.00 H new ATOM 77 N ARG A 6 -5.786 -6.126 -7.059 1.00 0.00 N ATOM 78 CA ARG A 6 -5.864 -5.983 -5.615 1.00 0.00 C ATOM 79 C ARG A 6 -5.125 -4.721 -5.167 1.00 0.00 C ATOM 80 O ARG A 6 -5.401 -4.183 -4.095 1.00 0.00 O ATOM 81 CB ARG A 6 -5.260 -7.198 -4.908 1.00 0.00 C ATOM 82 CG ARG A 6 -3.735 -7.093 -4.844 1.00 0.00 C ATOM 83 CD ARG A 6 -3.127 -8.336 -4.189 1.00 0.00 C ATOM 84 NE ARG A 6 -3.546 -8.417 -2.772 1.00 0.00 N ATOM 85 CZ ARG A 6 -4.672 -9.030 -2.350 1.00 0.00 C ATOM 86 NH1 ARG A 6 -5.503 -9.622 -3.234 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.948 -9.043 -1.059 1.00 0.00 N ATOM 0 H ARG A 6 -5.169 -6.872 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.917 -5.907 -5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.665 -7.275 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.544 -8.109 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.333 -6.974 -5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.451 -6.205 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.446 -9.231 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.040 -8.296 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.946 -7.982 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.282 -9.608 -4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.352 -10.083 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.314 -8.594 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.795 -9.502 -0.723 1.00 0.00 H new ATOM 100 N VAL A 7 -4.200 -4.284 -6.009 1.00 0.00 N ATOM 101 CA VAL A 7 -3.419 -3.095 -5.712 1.00 0.00 C ATOM 102 C VAL A 7 -4.346 -1.879 -5.667 1.00 0.00 C ATOM 103 O VAL A 7 -4.490 -1.242 -4.625 1.00 0.00 O ATOM 104 CB VAL A 7 -2.286 -2.946 -6.730 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.435 -1.712 -6.426 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.423 -4.208 -6.779 1.00 0.00 C ATOM 0 H VAL A 7 -3.974 -4.732 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.949 -3.181 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.736 -2.809 -7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.637 -1.629 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.060 -0.820 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.000 -1.806 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.626 -4.075 -7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.988 -4.390 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.040 -5.060 -7.065 1.00 0.00 H new ATOM 116 N LYS A 8 -4.952 -1.594 -6.810 1.00 0.00 N ATOM 117 CA LYS A 8 -5.861 -0.466 -6.914 1.00 0.00 C ATOM 118 C LYS A 8 -6.844 -0.499 -5.742 1.00 0.00 C ATOM 119 O LYS A 8 -7.069 0.518 -5.088 1.00 0.00 O ATOM 120 CB LYS A 8 -6.540 -0.450 -8.285 1.00 0.00 C ATOM 121 CG LYS A 8 -5.770 0.435 -9.268 1.00 0.00 C ATOM 122 CD LYS A 8 -5.129 -0.403 -10.375 1.00 0.00 C ATOM 123 CE LYS A 8 -5.853 -0.199 -11.707 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.083 0.712 -12.582 1.00 0.00 N ATOM 0 H LYS A 8 -4.831 -2.125 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.312 0.473 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.602 -1.466 -8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.562 -0.084 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.445 1.169 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.999 0.991 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.079 -0.129 -10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.157 -1.457 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.990 -1.160 -12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.846 0.212 -11.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.729 1.185 -13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.601 1.427 -12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.377 0.166 -13.116 1.00 0.00 H new ATOM 137 N LYS A 9 -7.402 -1.678 -5.513 1.00 0.00 N ATOM 138 CA LYS A 9 -8.356 -1.857 -4.431 1.00 0.00 C ATOM 139 C LYS A 9 -7.732 -1.370 -3.121 1.00 0.00 C ATOM 140 O LYS A 9 -8.209 -0.408 -2.522 1.00 0.00 O ATOM 141 CB LYS A 9 -8.842 -3.307 -4.379 1.00 0.00 C ATOM 142 CG LYS A 9 -10.359 -3.370 -4.191 1.00 0.00 C ATOM 143 CD LYS A 9 -11.087 -3.031 -5.493 1.00 0.00 C ATOM 144 CE LYS A 9 -12.585 -2.838 -5.248 1.00 0.00 C ATOM 145 NZ LYS A 9 -13.275 -2.491 -6.511 1.00 0.00 N ATOM 0 H LYS A 9 -7.212 -2.519 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.247 -1.253 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.564 -3.821 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.348 -3.831 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.647 -4.367 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.661 -2.673 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.665 -2.123 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.933 -3.830 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.012 -3.750 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.741 -2.049 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.291 -2.363 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.878 -1.608 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.141 -3.257 -7.201 1.00 0.00 H new ATOM 158 N ILE A 10 -6.674 -2.058 -2.715 1.00 0.00 N ATOM 159 CA ILE A 10 -5.980 -1.708 -1.488 1.00 0.00 C ATOM 160 C ILE A 10 -5.766 -0.193 -1.442 1.00 0.00 C ATOM 161 O ILE A 10 -6.136 0.460 -0.468 1.00 0.00 O ATOM 162 CB ILE A 10 -4.687 -2.515 -1.354 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.980 -4.017 -1.315 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.877 -2.057 -0.140 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.241 -4.487 0.117 1.00 0.00 C ATOM 0 H ILE A 10 -6.281 -2.856 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.585 -1.972 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.075 -2.329 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.847 -4.238 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.137 -4.567 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.963 -2.647 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.621 -1.003 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.469 -2.194 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.447 -5.557 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.363 -4.286 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.099 -3.953 0.525 1.00 0.00 H new ATOM 177 N ILE A 11 -5.170 0.321 -2.508 1.00 0.00 N ATOM 178 CA ILE A 11 -4.903 1.746 -2.602 1.00 0.00 C ATOM 179 C ILE A 11 -6.193 2.521 -2.327 1.00 0.00 C ATOM 180 O ILE A 11 -6.170 3.556 -1.662 1.00 0.00 O ATOM 181 CB ILE A 11 -4.258 2.082 -3.948 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.749 1.834 -3.910 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.593 3.513 -4.374 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.319 0.897 -5.040 1.00 0.00 C ATOM 0 H ILE A 11 -4.864 -0.224 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.181 2.050 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.675 1.415 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.219 2.782 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.472 1.401 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.122 3.727 -5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.674 3.621 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.222 4.212 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.242 0.737 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.833 -0.059 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.575 1.344 -6.001 1.00 0.00 H new ATOM 196 N GLY A 12 -7.288 1.992 -2.853 1.00 0.00 N ATOM 197 CA GLY A 12 -8.585 2.621 -2.673 1.00 0.00 C ATOM 198 C GLY A 12 -8.925 2.761 -1.188 1.00 0.00 C ATOM 199 O GLY A 12 -9.677 3.654 -0.801 1.00 0.00 O ATOM 0 H GLY A 12 -7.303 1.134 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.585 3.604 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.353 2.029 -3.171 1.00 0.00 H new ATOM 203 N GLN A 13 -8.354 1.864 -0.396 1.00 0.00 N ATOM 204 CA GLN A 13 -8.588 1.876 1.038 1.00 0.00 C ATOM 205 C GLN A 13 -7.587 2.803 1.731 1.00 0.00 C ATOM 206 O GLN A 13 -7.951 3.547 2.640 1.00 0.00 O ATOM 207 CB GLN A 13 -8.517 0.461 1.616 1.00 0.00 C ATOM 208 CG GLN A 13 -9.654 0.218 2.611 1.00 0.00 C ATOM 209 CD GLN A 13 -9.108 -0.242 3.965 1.00 0.00 C ATOM 210 OE1 GLN A 13 -8.181 0.328 4.516 1.00 0.00 O ATOM 211 NE2 GLN A 13 -9.734 -1.303 4.467 1.00 0.00 N ATOM 0 H GLN A 13 -7.730 1.125 -0.720 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.593 2.258 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.573 -0.269 0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.557 0.314 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.232 1.133 2.740 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.335 -0.535 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.503 -1.732 3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.445 -1.688 5.366 1.00 0.00 H new ATOM 220 N GLN A 14 -6.345 2.727 1.275 1.00 0.00 N ATOM 221 CA GLN A 14 -5.289 3.550 1.839 1.00 0.00 C ATOM 222 C GLN A 14 -5.704 5.022 1.836 1.00 0.00 C ATOM 223 O GLN A 14 -5.321 5.781 2.726 1.00 0.00 O ATOM 224 CB GLN A 14 -3.974 3.349 1.083 1.00 0.00 C ATOM 225 CG GLN A 14 -3.665 1.861 0.907 1.00 0.00 C ATOM 226 CD GLN A 14 -2.180 1.641 0.611 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.303 2.152 1.289 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.947 0.854 -0.436 1.00 0.00 N ATOM 0 H GLN A 14 -6.047 2.108 0.521 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.127 3.241 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.035 3.830 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.161 3.831 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.944 1.319 1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.266 1.455 0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.727 0.459 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.988 0.646 -0.714 1.00 0.00 H new ATOM 237 N LEU A 15 -6.482 5.383 0.826 1.00 0.00 N ATOM 238 CA LEU A 15 -6.953 6.751 0.695 1.00 0.00 C ATOM 239 C LEU A 15 -8.458 6.795 0.966 1.00 0.00 C ATOM 240 O LEU A 15 -8.894 7.326 1.987 1.00 0.00 O ATOM 241 CB LEU A 15 -6.555 7.327 -0.665 1.00 0.00 C ATOM 242 CG LEU A 15 -5.313 6.715 -1.315 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.046 7.342 -2.685 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.100 6.824 -0.389 1.00 0.00 C ATOM 0 H LEU A 15 -6.798 4.751 0.090 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.476 7.391 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.395 7.206 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.390 8.398 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.500 5.654 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.158 6.889 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.902 7.170 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.888 8.414 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.230 6.382 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.900 7.874 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.304 6.295 0.542 1.00 0.00 H new ATOM 256 N GLY A 16 -9.212 6.231 0.033 1.00 0.00 N ATOM 257 CA GLY A 16 -10.659 6.200 0.158 1.00 0.00 C ATOM 258 C GLY A 16 -11.328 6.841 -1.059 1.00 0.00 C ATOM 259 O GLY A 16 -12.271 7.618 -0.915 1.00 0.00 O ATOM 0 H GLY A 16 -8.847 5.792 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.997 5.169 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.961 6.727 1.063 1.00 0.00 H new ATOM 263 N VAL A 17 -10.815 6.492 -2.229 1.00 0.00 N ATOM 264 CA VAL A 17 -11.351 7.024 -3.470 1.00 0.00 C ATOM 265 C VAL A 17 -11.724 5.866 -4.398 1.00 0.00 C ATOM 266 O VAL A 17 -11.565 4.701 -4.037 1.00 0.00 O ATOM 267 CB VAL A 17 -10.350 7.995 -4.099 1.00 0.00 C ATOM 268 CG1 VAL A 17 -11.069 9.185 -4.740 1.00 0.00 C ATOM 269 CG2 VAL A 17 -9.322 8.466 -3.069 1.00 0.00 C ATOM 0 H VAL A 17 -10.033 5.847 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.260 7.594 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.816 7.463 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.335 9.860 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.744 8.827 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.641 9.717 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.622 9.155 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.833 8.973 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.777 7.606 -2.680 1.00 0.00 H new ATOM 279 N LYS A 18 -12.212 6.226 -5.575 1.00 0.00 N ATOM 280 CA LYS A 18 -12.608 5.232 -6.558 1.00 0.00 C ATOM 281 C LYS A 18 -11.362 4.692 -7.262 1.00 0.00 C ATOM 282 O LYS A 18 -10.312 4.537 -6.641 1.00 0.00 O ATOM 283 CB LYS A 18 -13.654 5.809 -7.514 1.00 0.00 C ATOM 284 CG LYS A 18 -14.667 4.741 -7.930 1.00 0.00 C ATOM 285 CD LYS A 18 -14.961 4.819 -9.429 1.00 0.00 C ATOM 286 CE LYS A 18 -16.400 5.274 -9.682 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.466 6.143 -10.878 1.00 0.00 N ATOM 0 H LYS A 18 -12.342 7.193 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.090 4.385 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.172 6.639 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.160 6.211 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.281 3.752 -7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.591 4.872 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.267 5.513 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.798 3.843 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.043 4.405 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.775 5.813 -8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.449 6.443 -11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.868 6.981 -10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.127 5.617 -11.709 1.00 0.00 H new ATOM 300 N GLN A 19 -11.520 4.420 -8.549 1.00 0.00 N ATOM 301 CA GLN A 19 -10.420 3.901 -9.345 1.00 0.00 C ATOM 302 C GLN A 19 -9.905 4.976 -10.304 1.00 0.00 C ATOM 303 O GLN A 19 -8.698 5.172 -10.432 1.00 0.00 O ATOM 304 CB GLN A 19 -10.841 2.643 -10.106 1.00 0.00 C ATOM 305 CG GLN A 19 -9.766 1.558 -10.008 1.00 0.00 C ATOM 306 CD GLN A 19 -9.813 0.628 -11.223 1.00 0.00 C ATOM 307 OE1 GLN A 19 -9.561 1.024 -12.349 1.00 0.00 O ATOM 308 NE2 GLN A 19 -10.149 -0.625 -10.932 1.00 0.00 N ATOM 0 H GLN A 19 -12.393 4.549 -9.061 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.609 3.624 -8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.781 2.267 -9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.020 2.889 -11.153 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.782 2.021 -9.938 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.911 0.979 -9.096 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.347 -0.889 -9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.209 -1.322 -11.674 1.00 0.00 H new ATOM 317 N GLU A 20 -10.847 5.645 -10.954 1.00 0.00 N ATOM 318 CA GLU A 20 -10.504 6.695 -11.897 1.00 0.00 C ATOM 319 C GLU A 20 -9.847 7.869 -11.169 1.00 0.00 C ATOM 320 O GLU A 20 -9.118 8.651 -11.777 1.00 0.00 O ATOM 321 CB GLU A 20 -11.737 7.154 -12.678 1.00 0.00 C ATOM 322 CG GLU A 20 -11.396 7.390 -14.151 1.00 0.00 C ATOM 323 CD GLU A 20 -12.098 6.366 -15.047 1.00 0.00 C ATOM 324 OE1 GLU A 20 -11.569 5.265 -15.261 1.00 0.00 O ATOM 325 OE2 GLU A 20 -13.232 6.749 -15.526 1.00 0.00 O ATOM 0 H GLU A 20 -11.848 5.480 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.789 6.293 -12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.523 6.403 -12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.129 8.072 -12.240 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.695 8.397 -14.440 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.317 7.324 -14.293 1.00 0.00 H new ATOM 333 N GLU A 21 -10.128 7.955 -9.878 1.00 0.00 N ATOM 334 CA GLU A 21 -9.573 9.020 -9.060 1.00 0.00 C ATOM 335 C GLU A 21 -8.162 8.654 -8.598 1.00 0.00 C ATOM 336 O GLU A 21 -7.419 9.511 -8.122 1.00 0.00 O ATOM 337 CB GLU A 21 -10.480 9.324 -7.866 1.00 0.00 C ATOM 338 CG GLU A 21 -11.395 10.514 -8.161 1.00 0.00 C ATOM 339 CD GLU A 21 -12.867 10.122 -8.020 1.00 0.00 C ATOM 340 OE1 GLU A 21 -13.366 9.297 -8.800 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.498 10.706 -7.058 1.00 0.00 O ATOM 0 H GLU A 21 -10.733 7.304 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.512 9.923 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.083 8.447 -7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.871 9.538 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.166 11.332 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.208 10.880 -9.170 1.00 0.00 H new ATOM 349 N VAL A 22 -7.834 7.380 -8.753 1.00 0.00 N ATOM 350 CA VAL A 22 -6.525 6.890 -8.358 1.00 0.00 C ATOM 351 C VAL A 22 -5.918 6.084 -9.508 1.00 0.00 C ATOM 352 O VAL A 22 -5.263 5.067 -9.280 1.00 0.00 O ATOM 353 CB VAL A 22 -6.636 6.089 -7.059 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.252 5.750 -6.503 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.475 6.838 -6.023 1.00 0.00 C ATOM 0 H VAL A 22 -8.453 6.672 -9.147 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.851 7.722 -8.154 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.144 5.152 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.360 5.181 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.702 5.156 -7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.706 6.671 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.538 6.247 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.009 7.798 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.477 7.004 -6.418 1.00 0.00 H new ATOM 365 N THR A 23 -6.157 6.567 -10.718 1.00 0.00 N ATOM 366 CA THR A 23 -5.642 5.904 -11.904 1.00 0.00 C ATOM 367 C THR A 23 -4.223 5.390 -11.654 1.00 0.00 C ATOM 368 O THR A 23 -3.541 5.858 -10.743 1.00 0.00 O ATOM 369 CB THR A 23 -5.736 6.886 -13.073 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.424 8.149 -12.492 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.169 7.054 -13.583 1.00 0.00 C ATOM 0 H THR A 23 -6.701 7.410 -10.903 1.00 0.00 H new ATOM 0 HA THR A 23 -6.233 5.023 -12.153 1.00 0.00 H new ATOM 0 HB THR A 23 -5.099 6.542 -13.888 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.460 8.844 -13.182 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.179 7.761 -14.412 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.550 6.091 -13.923 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.800 7.430 -12.778 1.00 0.00 H new ATOM 379 N ASN A 24 -3.819 4.436 -12.479 1.00 0.00 N ATOM 380 CA ASN A 24 -2.493 3.854 -12.359 1.00 0.00 C ATOM 381 C ASN A 24 -1.448 4.882 -12.797 1.00 0.00 C ATOM 382 O ASN A 24 -0.947 4.824 -13.919 1.00 0.00 O ATOM 383 CB ASN A 24 -2.349 2.622 -13.255 1.00 0.00 C ATOM 384 CG ASN A 24 -2.799 2.929 -14.685 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.212 4.029 -15.011 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.696 1.896 -15.518 1.00 0.00 N ATOM 0 H ASN A 24 -4.387 4.051 -13.234 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.345 3.563 -11.319 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.311 2.291 -13.260 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.943 1.802 -12.851 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.971 1.999 -16.495 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.342 1.001 -15.180 1.00 0.00 H new ATOM 393 N ASN A 25 -1.151 5.800 -11.889 1.00 0.00 N ATOM 394 CA ASN A 25 -0.175 6.840 -12.168 1.00 0.00 C ATOM 395 C ASN A 25 -0.292 7.939 -11.111 1.00 0.00 C ATOM 396 O ASN A 25 0.682 8.634 -10.822 1.00 0.00 O ATOM 397 CB ASN A 25 -0.421 7.473 -13.538 1.00 0.00 C ATOM 398 CG ASN A 25 0.781 7.266 -14.462 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.027 6.185 -14.970 1.00 0.00 O ATOM 400 ND2 ASN A 25 1.513 8.360 -14.650 1.00 0.00 N ATOM 0 H ASN A 25 -1.569 5.845 -10.960 1.00 0.00 H new ATOM 0 HA ASN A 25 0.816 6.386 -12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.311 7.036 -13.990 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.614 8.539 -13.420 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.337 8.325 -15.250 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.251 9.234 -14.194 1.00 0.00 H new ATOM 407 N ALA A 26 -1.491 8.063 -10.562 1.00 0.00 N ATOM 408 CA ALA A 26 -1.748 9.067 -9.543 1.00 0.00 C ATOM 409 C ALA A 26 -0.526 9.184 -8.629 1.00 0.00 C ATOM 410 O ALA A 26 0.260 8.244 -8.515 1.00 0.00 O ATOM 411 CB ALA A 26 -3.018 8.700 -8.774 1.00 0.00 C ATOM 0 H ALA A 26 -2.296 7.485 -10.803 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.914 10.043 -9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.211 9.453 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.861 8.658 -9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.888 7.727 -8.300 1.00 0.00 H new ATOM 417 N SER A 27 -0.405 10.344 -8.002 1.00 0.00 N ATOM 418 CA SER A 27 0.707 10.596 -7.102 1.00 0.00 C ATOM 419 C SER A 27 0.257 10.418 -5.651 1.00 0.00 C ATOM 420 O SER A 27 -0.831 9.907 -5.393 1.00 0.00 O ATOM 421 CB SER A 27 1.279 12.000 -7.312 1.00 0.00 C ATOM 422 OG SER A 27 2.550 11.968 -7.956 1.00 0.00 O ATOM 0 H SER A 27 -1.059 11.121 -8.099 1.00 0.00 H new ATOM 0 HA SER A 27 1.495 9.876 -7.322 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.584 12.589 -7.911 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.373 12.501 -6.349 1.00 0.00 H new ATOM 0 HG SER A 27 2.880 12.883 -8.073 1.00 0.00 H new ATOM 428 N PHE A 28 1.117 10.851 -4.740 1.00 0.00 N ATOM 429 CA PHE A 28 0.821 10.746 -3.322 1.00 0.00 C ATOM 430 C PHE A 28 1.000 12.095 -2.623 1.00 0.00 C ATOM 431 O PHE A 28 0.072 12.601 -1.995 1.00 0.00 O ATOM 432 CB PHE A 28 1.814 9.743 -2.731 1.00 0.00 C ATOM 433 CG PHE A 28 1.258 8.324 -2.594 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.076 7.555 -3.700 1.00 0.00 C ATOM 435 CD2 PHE A 28 0.945 7.832 -1.365 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.561 6.238 -3.573 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.429 6.516 -1.238 1.00 0.00 C ATOM 438 CZ PHE A 28 0.248 5.746 -2.344 1.00 0.00 C ATOM 0 H PHE A 28 2.019 11.275 -4.957 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.212 10.428 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.704 9.714 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.129 10.095 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.323 7.946 -4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.089 8.443 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.418 5.627 -4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.180 6.126 -0.262 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.144 4.744 -2.247 1.00 0.00 H new ATOM 448 N VAL A 29 2.201 12.640 -2.756 1.00 0.00 N ATOM 449 CA VAL A 29 2.514 13.920 -2.145 1.00 0.00 C ATOM 450 C VAL A 29 1.767 15.031 -2.887 1.00 0.00 C ATOM 451 O VAL A 29 1.540 16.107 -2.336 1.00 0.00 O ATOM 452 CB VAL A 29 4.029 14.132 -2.121 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.392 15.411 -1.363 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.743 12.919 -1.522 1.00 0.00 C ATOM 0 H VAL A 29 2.969 12.218 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 29 2.180 13.940 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 29 4.367 14.245 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.475 15.538 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.927 16.268 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.033 15.340 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.819 13.096 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.396 12.760 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.524 12.035 -2.121 1.00 0.00 H new ATOM 464 N GLU A 30 1.405 14.731 -4.126 1.00 0.00 N ATOM 465 CA GLU A 30 0.688 15.690 -4.949 1.00 0.00 C ATOM 466 C GLU A 30 -0.771 15.260 -5.117 1.00 0.00 C ATOM 467 O GLU A 30 -1.597 16.030 -5.603 1.00 0.00 O ATOM 468 CB GLU A 30 1.369 15.863 -6.308 1.00 0.00 C ATOM 469 CG GLU A 30 1.923 17.280 -6.467 1.00 0.00 C ATOM 470 CD GLU A 30 1.636 17.827 -7.867 1.00 0.00 C ATOM 471 OE1 GLU A 30 0.514 18.281 -8.137 1.00 0.00 O ATOM 472 OE2 GLU A 30 2.629 17.771 -8.688 1.00 0.00 O ATOM 0 H GLU A 30 1.595 13.837 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 30 0.705 16.656 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.178 15.139 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.655 15.656 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.477 17.935 -5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.998 17.276 -6.287 1.00 0.00 H new ATOM 480 N ASP A 31 -1.043 14.030 -4.705 1.00 0.00 N ATOM 481 CA ASP A 31 -2.387 13.488 -4.804 1.00 0.00 C ATOM 482 C ASP A 31 -3.027 13.466 -3.415 1.00 0.00 C ATOM 483 O ASP A 31 -3.999 14.177 -3.163 1.00 0.00 O ATOM 484 CB ASP A 31 -2.365 12.054 -5.337 1.00 0.00 C ATOM 485 CG ASP A 31 -3.654 11.600 -6.025 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.019 10.416 -5.981 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.304 12.533 -6.635 1.00 0.00 O ATOM 0 H ASP A 31 -0.355 13.394 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.955 14.118 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.541 11.958 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.156 11.378 -4.508 1.00 0.00 H new ATOM 493 N LEU A 32 -2.457 12.642 -2.548 1.00 0.00 N ATOM 494 CA LEU A 32 -2.959 12.518 -1.191 1.00 0.00 C ATOM 495 C LEU A 32 -2.018 13.253 -0.234 1.00 0.00 C ATOM 496 O LEU A 32 -1.941 12.916 0.947 1.00 0.00 O ATOM 497 CB LEU A 32 -3.175 11.046 -0.832 1.00 0.00 C ATOM 498 CG LEU A 32 -4.592 10.506 -1.038 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.423 10.647 0.239 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.265 11.176 -2.237 1.00 0.00 C ATOM 0 H LEU A 32 -1.651 12.053 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.937 12.991 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.488 10.443 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.902 10.904 0.214 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.523 9.441 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.426 10.256 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.949 10.087 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.487 11.699 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.271 10.774 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.322 12.251 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.682 10.981 -3.137 1.00 0.00 H new ATOM 512 N GLY A 33 -1.327 14.243 -0.779 1.00 0.00 N ATOM 513 CA GLY A 33 -0.394 15.028 0.011 1.00 0.00 C ATOM 514 C GLY A 33 0.504 14.124 0.858 1.00 0.00 C ATOM 515 O GLY A 33 1.056 14.561 1.866 1.00 0.00 O ATOM 0 H GLY A 33 -1.395 14.520 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.220 15.641 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.945 15.710 0.659 1.00 0.00 H new ATOM 519 N ALA A 34 0.621 12.880 0.417 1.00 0.00 N ATOM 520 CA ALA A 34 1.443 11.911 1.122 1.00 0.00 C ATOM 521 C ALA A 34 1.153 11.998 2.622 1.00 0.00 C ATOM 522 O ALA A 34 1.733 12.826 3.322 1.00 0.00 O ATOM 523 CB ALA A 34 2.917 12.158 0.797 1.00 0.00 C ATOM 0 H ALA A 34 0.161 12.521 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 34 1.204 10.898 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.533 11.431 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.075 12.055 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.195 13.165 1.110 1.00 0.00 H new ATOM 529 N ASP A 35 0.257 11.131 3.070 1.00 0.00 N ATOM 530 CA ASP A 35 -0.117 11.100 4.474 1.00 0.00 C ATOM 531 C ASP A 35 0.488 9.858 5.131 1.00 0.00 C ATOM 532 O ASP A 35 0.663 8.829 4.478 1.00 0.00 O ATOM 533 CB ASP A 35 -1.636 11.030 4.639 1.00 0.00 C ATOM 534 CG ASP A 35 -2.419 12.104 3.881 1.00 0.00 C ATOM 535 OD1 ASP A 35 -1.867 13.147 3.500 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.664 11.834 3.683 1.00 0.00 O ATOM 0 H ASP A 35 -0.221 10.445 2.486 1.00 0.00 H new ATOM 0 HA ASP A 35 0.254 12.012 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.978 10.050 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.875 11.108 5.700 1.00 0.00 H new ATOM 542 N SER A 36 0.790 9.993 6.414 1.00 0.00 N ATOM 543 CA SER A 36 1.372 8.894 7.166 1.00 0.00 C ATOM 544 C SER A 36 0.581 7.609 6.909 1.00 0.00 C ATOM 545 O SER A 36 1.166 6.554 6.667 1.00 0.00 O ATOM 546 CB SER A 36 1.404 9.207 8.663 1.00 0.00 C ATOM 547 OG SER A 36 2.736 9.328 9.154 1.00 0.00 O ATOM 0 H SER A 36 0.643 10.847 6.952 1.00 0.00 H new ATOM 0 HA SER A 36 2.399 8.755 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.862 10.134 8.851 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.886 8.419 9.209 1.00 0.00 H new ATOM 0 HG SER A 36 2.714 9.530 10.113 1.00 0.00 H new ATOM 553 N LEU A 37 -0.736 7.740 6.971 1.00 0.00 N ATOM 554 CA LEU A 37 -1.612 6.602 6.749 1.00 0.00 C ATOM 555 C LEU A 37 -1.351 6.028 5.355 1.00 0.00 C ATOM 556 O LEU A 37 -1.465 4.821 5.146 1.00 0.00 O ATOM 557 CB LEU A 37 -3.071 6.995 6.990 1.00 0.00 C ATOM 558 CG LEU A 37 -3.372 7.670 8.329 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.818 8.166 8.381 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.043 6.740 9.498 1.00 0.00 C ATOM 0 H LEU A 37 -1.218 8.616 7.172 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.397 5.809 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.383 7.666 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.686 6.098 6.912 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.728 8.545 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.005 8.642 9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.984 8.888 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.497 7.322 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.266 7.244 10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.643 5.833 9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.985 6.479 9.469 1.00 0.00 H new ATOM 572 N ASP A 38 -1.006 6.920 4.438 1.00 0.00 N ATOM 573 CA ASP A 38 -0.729 6.517 3.070 1.00 0.00 C ATOM 574 C ASP A 38 0.622 5.799 3.018 1.00 0.00 C ATOM 575 O ASP A 38 0.720 4.692 2.492 1.00 0.00 O ATOM 576 CB ASP A 38 -0.655 7.731 2.142 1.00 0.00 C ATOM 577 CG ASP A 38 -1.781 8.751 2.321 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.832 8.446 2.903 1.00 0.00 O ATOM 579 OD2 ASP A 38 -1.543 9.918 1.826 1.00 0.00 O ATOM 0 H ASP A 38 -0.912 7.920 4.616 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.535 5.861 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.299 8.234 2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.663 7.381 1.110 1.00 0.00 H new ATOM 585 N THR A 39 1.628 6.460 3.571 1.00 0.00 N ATOM 586 CA THR A 39 2.968 5.899 3.594 1.00 0.00 C ATOM 587 C THR A 39 3.030 4.704 4.547 1.00 0.00 C ATOM 588 O THR A 39 3.976 3.918 4.504 1.00 0.00 O ATOM 589 CB THR A 39 3.944 7.019 3.961 1.00 0.00 C ATOM 590 OG1 THR A 39 4.012 7.819 2.784 1.00 0.00 O ATOM 591 CG2 THR A 39 5.374 6.511 4.151 1.00 0.00 C ATOM 0 H THR A 39 1.542 7.378 4.006 1.00 0.00 H new ATOM 0 HA THR A 39 3.250 5.510 2.616 1.00 0.00 H new ATOM 0 HB THR A 39 3.609 7.507 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.623 8.571 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.025 7.346 4.410 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.394 5.773 4.953 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.723 6.052 3.226 1.00 0.00 H new ATOM 599 N VAL A 40 2.009 4.603 5.386 1.00 0.00 N ATOM 600 CA VAL A 40 1.934 3.517 6.348 1.00 0.00 C ATOM 601 C VAL A 40 1.109 2.372 5.756 1.00 0.00 C ATOM 602 O VAL A 40 1.453 1.203 5.924 1.00 0.00 O ATOM 603 CB VAL A 40 1.376 4.032 7.676 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.012 2.871 8.604 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.363 4.986 8.353 1.00 0.00 C ATOM 0 H VAL A 40 1.226 5.256 5.419 1.00 0.00 H new ATOM 0 HA VAL A 40 2.929 3.125 6.559 1.00 0.00 H new ATOM 0 HB VAL A 40 0.464 4.590 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.618 3.264 9.541 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.257 2.246 8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.901 2.274 8.806 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.942 5.337 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.299 4.463 8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.552 5.838 7.700 1.00 0.00 H new ATOM 615 N GLU A 41 0.037 2.749 5.076 1.00 0.00 N ATOM 616 CA GLU A 41 -0.840 1.769 4.458 1.00 0.00 C ATOM 617 C GLU A 41 -0.102 1.023 3.345 1.00 0.00 C ATOM 618 O GLU A 41 -0.522 -0.056 2.931 1.00 0.00 O ATOM 619 CB GLU A 41 -2.113 2.430 3.925 1.00 0.00 C ATOM 620 CG GLU A 41 -3.153 2.591 5.036 1.00 0.00 C ATOM 621 CD GLU A 41 -4.439 1.835 4.696 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.378 0.686 4.234 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.530 2.482 4.930 1.00 0.00 O ATOM 0 H GLU A 41 -0.245 3.720 4.939 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.137 1.046 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.871 3.406 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.529 1.828 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.746 2.220 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.376 3.648 5.180 1.00 0.00 H new ATOM 631 N LEU A 42 0.986 1.629 2.891 1.00 0.00 N ATOM 632 CA LEU A 42 1.786 1.036 1.833 1.00 0.00 C ATOM 633 C LEU A 42 2.708 -0.028 2.433 1.00 0.00 C ATOM 634 O LEU A 42 3.099 -0.972 1.749 1.00 0.00 O ATOM 635 CB LEU A 42 2.528 2.121 1.050 1.00 0.00 C ATOM 636 CG LEU A 42 2.596 1.926 -0.466 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.733 2.961 -1.191 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.045 1.944 -0.956 1.00 0.00 C ATOM 0 H LEU A 42 1.332 2.524 3.237 1.00 0.00 H new ATOM 0 HA LEU A 42 1.146 0.533 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.049 3.079 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.546 2.186 1.434 1.00 0.00 H new ATOM 0 HG LEU A 42 2.188 0.943 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.799 2.800 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.696 2.858 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.088 3.963 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.065 1.803 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.502 2.902 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.602 1.140 -0.475 1.00 0.00 H new ATOM 650 N VAL A 43 3.028 0.161 3.705 1.00 0.00 N ATOM 651 CA VAL A 43 3.897 -0.771 4.404 1.00 0.00 C ATOM 652 C VAL A 43 3.063 -1.939 4.933 1.00 0.00 C ATOM 653 O VAL A 43 3.580 -3.039 5.125 1.00 0.00 O ATOM 654 CB VAL A 43 4.669 -0.041 5.504 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.785 -0.923 6.069 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.228 1.289 4.993 1.00 0.00 C ATOM 0 H VAL A 43 2.701 0.945 4.269 1.00 0.00 H new ATOM 0 HA VAL A 43 4.641 -1.185 3.723 1.00 0.00 H new ATOM 0 HB VAL A 43 3.972 0.177 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.318 -0.380 6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.353 -1.831 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.479 -1.187 5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.772 1.787 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.903 1.103 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.407 1.925 4.662 1.00 0.00 H new ATOM 666 N MET A 44 1.786 -1.661 5.155 1.00 0.00 N ATOM 667 CA MET A 44 0.876 -2.676 5.658 1.00 0.00 C ATOM 668 C MET A 44 0.174 -3.402 4.509 1.00 0.00 C ATOM 669 O MET A 44 -0.062 -4.607 4.583 1.00 0.00 O ATOM 670 CB MET A 44 -0.169 -2.020 6.563 1.00 0.00 C ATOM 671 CG MET A 44 0.462 -1.537 7.870 1.00 0.00 C ATOM 672 SD MET A 44 0.161 -2.726 9.168 1.00 0.00 S ATOM 673 CE MET A 44 1.521 -3.847 8.883 1.00 0.00 C ATOM 0 H MET A 44 1.361 -0.748 4.996 1.00 0.00 H new ATOM 0 HA MET A 44 1.453 -3.407 6.224 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.628 -1.178 6.044 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.965 -2.732 6.781 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.535 -1.396 7.736 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.046 -0.569 8.149 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.843 -4.277 9.831 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.201 -4.645 8.213 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.351 -3.305 8.430 1.00 0.00 H new ATOM 683 N ALA A 45 -0.140 -2.638 3.473 1.00 0.00 N ATOM 684 CA ALA A 45 -0.811 -3.193 2.310 1.00 0.00 C ATOM 685 C ALA A 45 0.095 -4.237 1.655 1.00 0.00 C ATOM 686 O ALA A 45 -0.338 -5.355 1.378 1.00 0.00 O ATOM 687 CB ALA A 45 -1.187 -2.063 1.349 1.00 0.00 C ATOM 0 H ALA A 45 0.058 -1.639 3.415 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.734 -3.693 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.690 -2.480 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.854 -1.363 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.285 -1.540 1.032 1.00 0.00 H new ATOM 693 N LEU A 46 1.337 -3.837 1.426 1.00 0.00 N ATOM 694 CA LEU A 46 2.308 -4.724 0.809 1.00 0.00 C ATOM 695 C LEU A 46 2.646 -5.858 1.779 1.00 0.00 C ATOM 696 O LEU A 46 3.105 -6.920 1.362 1.00 0.00 O ATOM 697 CB LEU A 46 3.531 -3.935 0.336 1.00 0.00 C ATOM 698 CG LEU A 46 3.364 -3.161 -0.973 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.447 -2.089 -1.118 1.00 0.00 C ATOM 700 CD2 LEU A 46 3.334 -4.111 -2.172 1.00 0.00 C ATOM 0 H LEU A 46 1.693 -2.910 1.657 1.00 0.00 H new ATOM 0 HA LEU A 46 1.888 -5.184 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.809 -3.230 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.364 -4.628 0.221 1.00 0.00 H new ATOM 0 HG LEU A 46 2.403 -2.647 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.305 -1.553 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.379 -1.388 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.429 -2.561 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.214 -3.535 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.267 -4.672 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.499 -4.803 -2.067 1.00 0.00 H new ATOM 712 N GLU A 47 2.405 -5.594 3.055 1.00 0.00 N ATOM 713 CA GLU A 47 2.677 -6.578 4.088 1.00 0.00 C ATOM 714 C GLU A 47 1.539 -7.598 4.162 1.00 0.00 C ATOM 715 O GLU A 47 1.782 -8.797 4.292 1.00 0.00 O ATOM 716 CB GLU A 47 2.899 -5.904 5.443 1.00 0.00 C ATOM 717 CG GLU A 47 4.391 -5.814 5.773 1.00 0.00 C ATOM 718 CD GLU A 47 4.721 -6.609 7.038 1.00 0.00 C ATOM 719 OE1 GLU A 47 4.366 -7.793 7.137 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.373 -5.955 7.938 1.00 0.00 O ATOM 0 H GLU A 47 2.024 -4.712 3.397 1.00 0.00 H new ATOM 0 HA GLU A 47 3.595 -7.105 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.465 -4.904 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.384 -6.466 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.976 -6.196 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.675 -4.771 5.910 1.00 0.00 H new ATOM 728 N GLU A 48 0.321 -7.085 4.077 1.00 0.00 N ATOM 729 CA GLU A 48 -0.856 -7.936 4.134 1.00 0.00 C ATOM 730 C GLU A 48 -1.099 -8.595 2.775 1.00 0.00 C ATOM 731 O GLU A 48 -1.894 -9.528 2.667 1.00 0.00 O ATOM 732 CB GLU A 48 -2.084 -7.144 4.587 1.00 0.00 C ATOM 733 CG GLU A 48 -2.933 -7.960 5.563 1.00 0.00 C ATOM 734 CD GLU A 48 -4.306 -8.275 4.966 1.00 0.00 C ATOM 735 OE1 GLU A 48 -5.028 -7.355 4.552 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.615 -9.527 4.939 1.00 0.00 O ATOM 0 H GLU A 48 0.123 -6.090 3.969 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.679 -8.720 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.767 -6.216 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.684 -6.869 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.418 -8.889 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.056 -7.407 6.494 1.00 0.00 H new ATOM 744 N GLU A 49 -0.400 -8.086 1.772 1.00 0.00 N ATOM 745 CA GLU A 49 -0.530 -8.614 0.424 1.00 0.00 C ATOM 746 C GLU A 49 0.313 -9.881 0.267 1.00 0.00 C ATOM 747 O GLU A 49 -0.225 -10.985 0.208 1.00 0.00 O ATOM 748 CB GLU A 49 -0.140 -7.563 -0.617 1.00 0.00 C ATOM 749 CG GLU A 49 -0.550 -8.005 -2.023 1.00 0.00 C ATOM 750 CD GLU A 49 0.676 -8.356 -2.867 1.00 0.00 C ATOM 751 OE1 GLU A 49 0.635 -9.316 -3.651 1.00 0.00 O ATOM 752 OE2 GLU A 49 1.699 -7.591 -2.688 1.00 0.00 O ATOM 0 H GLU A 49 0.259 -7.313 1.865 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.575 -8.873 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.618 -6.613 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.937 -7.395 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.211 -8.870 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.114 -7.209 -2.508 1.00 0.00 H new ATOM 760 N PHE A 50 1.621 -9.678 0.203 1.00 0.00 N ATOM 761 CA PHE A 50 2.544 -10.791 0.054 1.00 0.00 C ATOM 762 C PHE A 50 3.614 -10.765 1.147 1.00 0.00 C ATOM 763 O PHE A 50 4.572 -11.536 1.100 1.00 0.00 O ATOM 764 CB PHE A 50 3.219 -10.632 -1.309 1.00 0.00 C ATOM 765 CG PHE A 50 4.620 -11.244 -1.385 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.767 -12.584 -1.564 1.00 0.00 C ATOM 767 CD2 PHE A 50 5.717 -10.447 -1.274 1.00 0.00 C ATOM 768 CE1 PHE A 50 6.067 -13.152 -1.635 1.00 0.00 C ATOM 769 CE2 PHE A 50 7.016 -11.015 -1.344 1.00 0.00 C ATOM 770 CZ PHE A 50 7.164 -12.355 -1.523 1.00 0.00 C ATOM 0 H PHE A 50 2.063 -8.760 0.252 1.00 0.00 H new ATOM 0 HA PHE A 50 2.005 -11.735 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.590 -11.094 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.284 -9.571 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.896 -13.216 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.600 -9.383 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.185 -14.216 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.887 -10.383 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.153 -12.787 -1.576 1.00 0.00 H new ATOM 780 N ASP A 51 3.416 -9.872 2.104 1.00 0.00 N ATOM 781 CA ASP A 51 4.353 -9.736 3.207 1.00 0.00 C ATOM 782 C ASP A 51 5.709 -9.281 2.665 1.00 0.00 C ATOM 783 O ASP A 51 6.573 -10.107 2.373 1.00 0.00 O ATOM 784 CB ASP A 51 4.554 -11.071 3.926 1.00 0.00 C ATOM 785 CG ASP A 51 5.910 -11.236 4.616 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.352 -10.359 5.372 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.529 -12.335 4.346 1.00 0.00 O ATOM 0 H ASP A 51 2.620 -9.235 2.139 1.00 0.00 H new ATOM 0 HA ASP A 51 3.946 -9.007 3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.767 -11.187 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.430 -11.878 3.204 1.00 0.00 H new ATOM 793 N THR A 52 5.854 -7.970 2.546 1.00 0.00 N ATOM 794 CA THR A 52 7.091 -7.395 2.045 1.00 0.00 C ATOM 795 C THR A 52 7.299 -5.993 2.619 1.00 0.00 C ATOM 796 O THR A 52 7.457 -5.029 1.871 1.00 0.00 O ATOM 797 CB THR A 52 7.039 -7.424 0.516 1.00 0.00 C ATOM 798 OG1 THR A 52 8.276 -6.840 0.116 1.00 0.00 O ATOM 799 CG2 THR A 52 5.980 -6.478 -0.053 1.00 0.00 C ATOM 0 H THR A 52 5.135 -7.289 2.788 1.00 0.00 H new ATOM 0 HA THR A 52 7.956 -7.975 2.367 1.00 0.00 H new ATOM 0 HB THR A 52 6.835 -8.441 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.381 -5.968 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.986 -6.538 -1.141 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.997 -6.765 0.321 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.202 -5.456 0.255 1.00 0.00 H new ATOM 807 N GLU A 53 7.293 -5.923 3.942 1.00 0.00 N ATOM 808 CA GLU A 53 7.479 -4.655 4.626 1.00 0.00 C ATOM 809 C GLU A 53 8.308 -3.702 3.761 1.00 0.00 C ATOM 810 O GLU A 53 9.482 -3.959 3.498 1.00 0.00 O ATOM 811 CB GLU A 53 8.132 -4.860 5.994 1.00 0.00 C ATOM 812 CG GLU A 53 9.421 -5.675 5.871 1.00 0.00 C ATOM 813 CD GLU A 53 9.704 -6.452 7.158 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.424 -5.954 8.037 1.00 0.00 O ATOM 815 OE2 GLU A 53 9.145 -7.612 7.229 1.00 0.00 O ATOM 0 H GLU A 53 7.162 -6.725 4.559 1.00 0.00 H new ATOM 0 HA GLU A 53 6.499 -4.207 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.351 -3.892 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.437 -5.371 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.338 -6.369 5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.256 -5.010 5.652 1.00 0.00 H new ATOM 823 N ILE A 54 7.664 -2.623 3.341 1.00 0.00 N ATOM 824 CA ILE A 54 8.326 -1.631 2.511 1.00 0.00 C ATOM 825 C ILE A 54 8.784 -0.463 3.387 1.00 0.00 C ATOM 826 O ILE A 54 8.025 0.024 4.224 1.00 0.00 O ATOM 827 CB ILE A 54 7.421 -1.212 1.351 1.00 0.00 C ATOM 828 CG1 ILE A 54 8.203 -0.416 0.305 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.198 -0.445 1.859 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.358 -0.178 -0.948 1.00 0.00 C ATOM 0 H ILE A 54 6.690 -2.414 3.560 1.00 0.00 H new ATOM 0 HA ILE A 54 9.219 -2.054 2.051 1.00 0.00 H new ATOM 0 HB ILE A 54 7.055 -2.114 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.512 0.541 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.112 -0.955 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.571 -0.159 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.626 -1.079 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.524 0.450 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.938 0.390 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.071 -1.136 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.462 0.382 -0.681 1.00 0.00 H new ATOM 842 N PRO A 55 10.055 -0.037 3.158 1.00 0.00 N ATOM 843 CA PRO A 55 10.622 1.065 3.917 1.00 0.00 C ATOM 844 C PRO A 55 10.051 2.405 3.448 1.00 0.00 C ATOM 845 O PRO A 55 9.276 2.454 2.494 1.00 0.00 O ATOM 846 CB PRO A 55 12.124 0.954 3.708 1.00 0.00 C ATOM 847 CG PRO A 55 12.310 0.085 2.475 1.00 0.00 C ATOM 848 CD PRO A 55 10.981 -0.590 2.175 1.00 0.00 C ATOM 0 HA PRO A 55 10.376 1.016 4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.572 1.937 3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.607 0.508 4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.631 0.690 1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.086 -0.660 2.647 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.651 -0.380 1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.057 -1.673 2.268 1.00 0.00 H new ATOM 856 N ASP A 56 10.457 3.459 4.141 1.00 0.00 N ATOM 857 CA ASP A 56 9.995 4.796 3.807 1.00 0.00 C ATOM 858 C ASP A 56 10.843 5.353 2.662 1.00 0.00 C ATOM 859 O ASP A 56 10.441 6.303 1.992 1.00 0.00 O ATOM 860 CB ASP A 56 10.135 5.741 5.002 1.00 0.00 C ATOM 861 CG ASP A 56 8.870 6.524 5.360 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.127 6.151 6.280 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.656 7.572 4.640 1.00 0.00 O ATOM 0 H ASP A 56 11.100 3.414 4.931 1.00 0.00 H new ATOM 0 HA ASP A 56 8.945 4.729 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.442 5.160 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.936 6.450 4.793 1.00 0.00 H new ATOM 869 N GLU A 57 12.001 4.738 2.472 1.00 0.00 N ATOM 870 CA GLU A 57 12.909 5.160 1.419 1.00 0.00 C ATOM 871 C GLU A 57 12.417 4.657 0.061 1.00 0.00 C ATOM 872 O GLU A 57 12.423 5.400 -0.919 1.00 0.00 O ATOM 873 CB GLU A 57 14.334 4.679 1.699 1.00 0.00 C ATOM 874 CG GLU A 57 15.212 5.828 2.200 1.00 0.00 C ATOM 875 CD GLU A 57 16.622 5.335 2.533 1.00 0.00 C ATOM 876 OE1 GLU A 57 17.048 4.286 2.027 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.283 6.086 3.348 1.00 0.00 O ATOM 0 H GLU A 57 12.331 3.950 3.030 1.00 0.00 H new ATOM 0 HA GLU A 57 12.927 6.250 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.313 3.882 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.764 4.257 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.265 6.608 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.761 6.276 3.085 1.00 0.00 H new ATOM 885 N GLU A 58 12.004 3.398 0.046 1.00 0.00 N ATOM 886 CA GLU A 58 11.510 2.787 -1.176 1.00 0.00 C ATOM 887 C GLU A 58 10.125 3.337 -1.522 1.00 0.00 C ATOM 888 O GLU A 58 9.659 3.191 -2.651 1.00 0.00 O ATOM 889 CB GLU A 58 11.479 1.262 -1.053 1.00 0.00 C ATOM 890 CG GLU A 58 12.632 0.626 -1.833 1.00 0.00 C ATOM 891 CD GLU A 58 12.593 1.040 -3.305 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.504 1.232 -3.866 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.747 1.163 -3.868 1.00 0.00 O ATOM 0 H GLU A 58 12.001 2.784 0.861 1.00 0.00 H new ATOM 0 HA GLU A 58 12.193 3.040 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.544 0.977 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.528 0.882 -1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.583 0.926 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.573 -0.460 -1.755 1.00 0.00 H new ATOM 901 N ALA A 59 9.504 3.957 -0.530 1.00 0.00 N ATOM 902 CA ALA A 59 8.182 4.530 -0.715 1.00 0.00 C ATOM 903 C ALA A 59 8.282 5.747 -1.637 1.00 0.00 C ATOM 904 O ALA A 59 7.352 6.041 -2.386 1.00 0.00 O ATOM 905 CB ALA A 59 7.581 4.879 0.648 1.00 0.00 C ATOM 0 H ALA A 59 9.892 4.075 0.406 1.00 0.00 H new ATOM 0 HA ALA A 59 7.516 3.810 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.589 5.309 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.503 3.976 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.222 5.601 1.154 1.00 0.00 H new ATOM 911 N GLU A 60 9.419 6.421 -1.552 1.00 0.00 N ATOM 912 CA GLU A 60 9.653 7.600 -2.369 1.00 0.00 C ATOM 913 C GLU A 60 9.497 7.257 -3.852 1.00 0.00 C ATOM 914 O GLU A 60 8.642 7.818 -4.536 1.00 0.00 O ATOM 915 CB GLU A 60 11.033 8.197 -2.088 1.00 0.00 C ATOM 916 CG GLU A 60 10.913 9.621 -1.541 1.00 0.00 C ATOM 917 CD GLU A 60 12.173 10.022 -0.772 1.00 0.00 C ATOM 918 OE1 GLU A 60 13.270 9.534 -1.082 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.985 10.873 0.179 1.00 0.00 O ATOM 0 H GLU A 60 10.189 6.173 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 60 8.908 8.352 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.565 7.572 -1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.624 8.204 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.748 10.317 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.045 9.690 -0.885 1.00 0.00 H new ATOM 927 N LYS A 61 10.335 6.336 -4.306 1.00 0.00 N ATOM 928 CA LYS A 61 10.301 5.912 -5.695 1.00 0.00 C ATOM 929 C LYS A 61 9.018 5.118 -5.949 1.00 0.00 C ATOM 930 O LYS A 61 8.725 4.752 -7.087 1.00 0.00 O ATOM 931 CB LYS A 61 11.577 5.149 -6.054 1.00 0.00 C ATOM 932 CG LYS A 61 11.674 3.840 -5.266 1.00 0.00 C ATOM 933 CD LYS A 61 12.093 2.683 -6.175 1.00 0.00 C ATOM 934 CE LYS A 61 10.874 2.025 -6.823 1.00 0.00 C ATOM 935 NZ LYS A 61 11.248 1.389 -8.106 1.00 0.00 N ATOM 0 H LYS A 61 11.042 5.872 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 61 10.278 6.777 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.589 4.936 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.448 5.770 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.396 3.951 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.711 3.616 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.767 3.050 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.645 1.943 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.455 1.278 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.098 2.771 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.408 0.947 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.626 2.110 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.972 0.663 -7.935 1.00 0.00 H new ATOM 948 N ILE A 62 8.286 4.876 -4.872 1.00 0.00 N ATOM 949 CA ILE A 62 7.041 4.132 -4.964 1.00 0.00 C ATOM 950 C ILE A 62 5.905 4.974 -4.380 1.00 0.00 C ATOM 951 O ILE A 62 4.929 4.432 -3.863 1.00 0.00 O ATOM 952 CB ILE A 62 7.188 2.757 -4.308 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.241 1.915 -5.032 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.838 2.042 -4.226 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.671 0.722 -4.176 1.00 0.00 C ATOM 0 H ILE A 62 8.531 5.182 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 62 6.790 3.936 -6.007 1.00 0.00 H new ATOM 0 HB ILE A 62 7.538 2.901 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.839 1.560 -5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.109 2.532 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.970 1.067 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.145 2.640 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.435 1.909 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.420 0.140 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.095 1.081 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.805 0.094 -3.966 1.00 0.00 H new ATOM 967 N THR A 63 6.070 6.284 -4.481 1.00 0.00 N ATOM 968 CA THR A 63 5.070 7.206 -3.969 1.00 0.00 C ATOM 969 C THR A 63 3.977 7.442 -5.014 1.00 0.00 C ATOM 970 O THR A 63 3.399 8.525 -5.078 1.00 0.00 O ATOM 971 CB THR A 63 5.786 8.488 -3.538 1.00 0.00 C ATOM 972 OG1 THR A 63 4.781 9.233 -2.855 1.00 0.00 O ATOM 973 CG2 THR A 63 6.165 9.375 -4.726 1.00 0.00 C ATOM 0 H THR A 63 6.881 6.730 -4.910 1.00 0.00 H new ATOM 0 HA THR A 63 4.560 6.793 -3.099 1.00 0.00 H new ATOM 0 HB THR A 63 6.684 8.231 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.192 10.000 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.670 10.271 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.831 8.826 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.264 9.660 -5.269 1.00 0.00 H new ATOM 981 N THR A 64 3.728 6.410 -5.806 1.00 0.00 N ATOM 982 CA THR A 64 2.716 6.491 -6.845 1.00 0.00 C ATOM 983 C THR A 64 1.759 5.300 -6.752 1.00 0.00 C ATOM 984 O THR A 64 1.793 4.547 -5.779 1.00 0.00 O ATOM 985 CB THR A 64 3.429 6.593 -8.194 1.00 0.00 C ATOM 986 OG1 THR A 64 4.474 5.627 -8.109 1.00 0.00 O ATOM 987 CG2 THR A 64 4.165 7.923 -8.368 1.00 0.00 C ATOM 0 H THR A 64 4.210 5.513 -5.749 1.00 0.00 H new ATOM 0 HA THR A 64 2.094 7.378 -6.722 1.00 0.00 H new ATOM 0 HB THR A 64 2.703 6.472 -8.998 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.214 5.893 -8.694 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.654 7.944 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.452 8.745 -8.302 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.914 8.029 -7.584 1.00 0.00 H new ATOM 995 N VAL A 65 0.930 5.167 -7.776 1.00 0.00 N ATOM 996 CA VAL A 65 -0.034 4.080 -7.822 1.00 0.00 C ATOM 997 C VAL A 65 0.536 2.934 -8.660 1.00 0.00 C ATOM 998 O VAL A 65 0.643 1.805 -8.183 1.00 0.00 O ATOM 999 CB VAL A 65 -1.377 4.594 -8.345 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.259 3.437 -8.818 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.094 5.433 -7.286 1.00 0.00 C ATOM 0 H VAL A 65 0.905 5.793 -8.581 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.218 3.690 -6.821 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.179 5.237 -9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.208 3.829 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.754 2.899 -9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.445 2.757 -7.986 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.045 5.786 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.275 4.824 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.474 6.288 -7.018 1.00 0.00 H new ATOM 1011 N GLN A 66 0.887 3.263 -9.894 1.00 0.00 N ATOM 1012 CA GLN A 66 1.443 2.275 -10.803 1.00 0.00 C ATOM 1013 C GLN A 66 2.721 1.674 -10.216 1.00 0.00 C ATOM 1014 O GLN A 66 3.183 0.628 -10.667 1.00 0.00 O ATOM 1015 CB GLN A 66 1.706 2.885 -12.181 1.00 0.00 C ATOM 1016 CG GLN A 66 2.081 1.804 -13.197 1.00 0.00 C ATOM 1017 CD GLN A 66 0.919 1.524 -14.153 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.505 0.395 -14.354 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.420 2.613 -14.730 1.00 0.00 N ATOM 0 H GLN A 66 0.797 4.200 -10.286 1.00 0.00 H new ATOM 0 HA GLN A 66 0.714 1.475 -10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.818 3.418 -12.522 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.510 3.618 -12.111 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.956 2.121 -13.765 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.355 0.888 -12.674 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.814 3.529 -14.517 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.357 2.532 -15.386 1.00 0.00 H new ATOM 1028 N ALA A 67 3.256 2.362 -9.218 1.00 0.00 N ATOM 1029 CA ALA A 67 4.473 1.909 -8.564 1.00 0.00 C ATOM 1030 C ALA A 67 4.162 0.672 -7.720 1.00 0.00 C ATOM 1031 O ALA A 67 5.020 -0.190 -7.536 1.00 0.00 O ATOM 1032 CB ALA A 67 5.060 3.050 -7.732 1.00 0.00 C ATOM 0 H ALA A 67 2.869 3.230 -8.846 1.00 0.00 H new ATOM 0 HA ALA A 67 5.223 1.625 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.972 2.711 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.290 3.894 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.337 3.360 -6.978 1.00 0.00 H new ATOM 1038 N ALA A 68 2.932 0.623 -7.229 1.00 0.00 N ATOM 1039 CA ALA A 68 2.498 -0.495 -6.409 1.00 0.00 C ATOM 1040 C ALA A 68 2.031 -1.636 -7.315 1.00 0.00 C ATOM 1041 O ALA A 68 1.504 -2.638 -6.835 1.00 0.00 O ATOM 1042 CB ALA A 68 1.402 -0.028 -5.448 1.00 0.00 C ATOM 0 H ALA A 68 2.223 1.339 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 68 3.324 -0.871 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.076 -0.867 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.793 0.762 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.556 0.353 -6.019 1.00 0.00 H new ATOM 1048 N ILE A 69 2.243 -1.446 -8.609 1.00 0.00 N ATOM 1049 CA ILE A 69 1.851 -2.447 -9.587 1.00 0.00 C ATOM 1050 C ILE A 69 3.105 -3.049 -10.224 1.00 0.00 C ATOM 1051 O ILE A 69 3.091 -4.198 -10.665 1.00 0.00 O ATOM 1052 CB ILE A 69 0.871 -1.851 -10.600 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.527 -1.715 -9.995 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.859 -2.666 -11.895 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.633 -0.451 -9.138 1.00 0.00 C ATOM 0 H ILE A 69 2.681 -0.614 -9.003 1.00 0.00 H new ATOM 0 HA ILE A 69 1.315 -3.264 -9.103 1.00 0.00 H new ATOM 0 HB ILE A 69 1.210 -0.847 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.270 -1.682 -10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.751 -2.591 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.155 -2.222 -12.598 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.857 -2.667 -12.333 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.557 -3.690 -11.677 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.637 -0.378 -8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.095 -0.498 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.433 0.425 -9.755 1.00 0.00 H new ATOM 1067 N ASP A 70 4.159 -2.247 -10.253 1.00 0.00 N ATOM 1068 CA ASP A 70 5.418 -2.687 -10.829 1.00 0.00 C ATOM 1069 C ASP A 70 6.220 -3.449 -9.772 1.00 0.00 C ATOM 1070 O ASP A 70 6.789 -4.501 -10.057 1.00 0.00 O ATOM 1071 CB ASP A 70 6.258 -1.495 -11.292 1.00 0.00 C ATOM 1072 CG ASP A 70 6.726 -1.560 -12.747 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.142 -0.920 -13.635 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.750 -2.315 -12.958 1.00 0.00 O ATOM 0 H ASP A 70 4.167 -1.295 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 70 5.193 -3.324 -11.685 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.676 -0.584 -11.154 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.134 -1.415 -10.648 1.00 0.00 H new ATOM 1080 N TYR A 71 6.239 -2.886 -8.572 1.00 0.00 N ATOM 1081 CA TYR A 71 6.962 -3.499 -7.470 1.00 0.00 C ATOM 1082 C TYR A 71 6.235 -4.747 -6.964 1.00 0.00 C ATOM 1083 O TYR A 71 6.862 -5.662 -6.433 1.00 0.00 O ATOM 1084 CB TYR A 71 6.993 -2.454 -6.353 1.00 0.00 C ATOM 1085 CG TYR A 71 8.344 -2.342 -5.643 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.472 -1.994 -6.357 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.434 -2.590 -4.288 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.744 -1.889 -5.689 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.705 -2.485 -3.620 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.797 -2.139 -4.353 1.00 0.00 C ATOM 1091 OH TYR A 71 11.998 -2.040 -3.722 1.00 0.00 O ATOM 0 H TYR A 71 5.766 -2.013 -8.339 1.00 0.00 H new ATOM 0 HA TYR A 71 7.960 -3.802 -7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.732 -1.482 -6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.227 -2.700 -5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.401 -1.800 -7.417 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.551 -2.863 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.635 -1.618 -6.236 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.789 -2.677 -2.561 1.00 0.00 H new ATOM 0 HH TYR A 71 11.885 -2.245 -2.770 1.00 0.00 H new ATOM 1101 N ILE A 72 4.923 -4.744 -7.148 1.00 0.00 N ATOM 1102 CA ILE A 72 4.104 -5.864 -6.717 1.00 0.00 C ATOM 1103 C ILE A 72 4.138 -6.956 -7.787 1.00 0.00 C ATOM 1104 O ILE A 72 4.083 -8.144 -7.470 1.00 0.00 O ATOM 1105 CB ILE A 72 2.692 -5.392 -6.364 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.680 -4.651 -5.025 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.703 -6.559 -6.384 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.505 -3.365 -5.102 1.00 0.00 C ATOM 0 H ILE A 72 4.407 -3.983 -7.590 1.00 0.00 H new ATOM 0 HA ILE A 72 4.506 -6.300 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 72 2.368 -4.683 -7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.653 -4.412 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.080 -5.298 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.707 -6.196 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.684 -7.003 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.012 -7.310 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.480 -2.858 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.536 -3.609 -5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.088 -2.710 -5.867 1.00 0.00 H new ATOM 1120 N ASN A 73 4.229 -6.516 -9.034 1.00 0.00 N ATOM 1121 CA ASN A 73 4.271 -7.442 -10.153 1.00 0.00 C ATOM 1122 C ASN A 73 5.348 -8.498 -9.895 1.00 0.00 C ATOM 1123 O ASN A 73 5.296 -9.592 -10.455 1.00 0.00 O ATOM 1124 CB ASN A 73 4.622 -6.717 -11.454 1.00 0.00 C ATOM 1125 CG ASN A 73 3.662 -7.114 -12.578 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.969 -7.929 -13.432 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.487 -6.493 -12.530 1.00 0.00 N ATOM 0 H ASN A 73 4.275 -5.531 -9.294 1.00 0.00 H new ATOM 0 HA ASN A 73 3.287 -7.900 -10.249 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.579 -5.639 -11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.645 -6.956 -11.743 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.778 -6.689 -13.236 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.295 -5.821 -11.787 1.00 0.00 H new ATOM 1134 N GLY A 74 6.299 -8.134 -9.048 1.00 0.00 N ATOM 1135 CA GLY A 74 7.386 -9.037 -8.709 1.00 0.00 C ATOM 1136 C GLY A 74 6.867 -10.259 -7.949 1.00 0.00 C ATOM 1137 O GLY A 74 7.615 -11.203 -7.701 1.00 0.00 O ATOM 0 H GLY A 74 6.340 -7.226 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.893 -9.359 -9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.123 -8.512 -8.101 1.00 0.00 H new ATOM 1141 N HIS A 75 5.590 -10.200 -7.599 1.00 0.00 N ATOM 1142 CA HIS A 75 4.963 -11.291 -6.872 1.00 0.00 C ATOM 1143 C HIS A 75 4.846 -12.515 -7.782 1.00 0.00 C ATOM 1144 O HIS A 75 5.490 -13.535 -7.542 1.00 0.00 O ATOM 1145 CB HIS A 75 3.616 -10.853 -6.292 1.00 0.00 C ATOM 1146 CG HIS A 75 2.610 -11.971 -6.165 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.973 -13.280 -5.898 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.250 -11.962 -6.269 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.873 -14.017 -5.847 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.806 -13.199 -6.078 1.00 0.00 N ATOM 0 H HIS A 75 4.973 -9.414 -7.805 1.00 0.00 H new ATOM 0 HA HIS A 75 5.586 -11.572 -6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.781 -10.413 -5.308 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.197 -10.071 -6.925 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.638 -11.096 -6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.829 -15.079 -5.656 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.172 -13.489 -6.100 1.00 0.00 H new ATOM 1158 N GLN A 76 4.021 -12.373 -8.809 1.00 0.00 N ATOM 1159 CA GLN A 76 3.811 -13.454 -9.756 1.00 0.00 C ATOM 1160 C GLN A 76 5.155 -14.018 -10.223 1.00 0.00 C ATOM 1161 O GLN A 76 6.119 -13.274 -10.394 1.00 0.00 O ATOM 1162 CB GLN A 76 2.970 -12.986 -10.946 1.00 0.00 C ATOM 1163 CG GLN A 76 3.831 -12.237 -11.965 1.00 0.00 C ATOM 1164 CD GLN A 76 3.102 -11.000 -12.494 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.566 -10.986 -13.590 1.00 0.00 O ATOM 1166 NE2 GLN A 76 3.112 -9.967 -11.657 1.00 0.00 N ATOM 0 H GLN A 76 3.490 -11.525 -9.006 1.00 0.00 H new ATOM 0 HA GLN A 76 3.259 -14.249 -9.254 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.500 -13.845 -11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.167 -12.337 -10.596 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.772 -11.939 -11.502 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.079 -12.900 -12.794 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.580 -10.047 -10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.652 -9.095 -11.918 1.00 0.00 H new ATOM 1175 N ALA A 77 5.175 -15.329 -10.415 1.00 0.00 N ATOM 1176 CA ALA A 77 6.385 -16.002 -10.858 1.00 0.00 C ATOM 1177 C ALA A 77 7.592 -15.398 -10.139 1.00 0.00 C ATOM 1178 O ALA A 77 8.190 -16.039 -9.277 1.00 0.00 O ATOM 1179 CB ALA A 77 6.500 -15.895 -12.380 1.00 0.00 C ATOM 0 H ALA A 77 4.373 -15.943 -10.272 1.00 0.00 H new ATOM 0 HA ALA A 77 6.348 -17.062 -10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.407 -16.399 -12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.633 -16.364 -12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.542 -14.845 -12.669 1.00 0.00 H new TER 1185 ALA A 77