USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 313 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 Single : A 1 LEU N :NH3+ -120:sc= 0.0663 (180deg=-0.307) USER MOD Single : A 8 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -69:sc= 1.12 USER MOD Single : A 14 ASN : amide:sc= -0.302 K(o=-0.3,f=-0.92) USER MOD Single : A 21 THR OG1 : rot 29:sc= -0.721 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00297) USER MOD Single : A 28 SER OG : rot -57:sc= 0.295 USER MOD Single : A 31 SER OG : rot 44:sc= 0.274 USER MOD Single : A 32 SER OG : rot 180:sc= -0.84 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.093 5.712 -10.041 1.00 0.00 N ATOM 2 CA LEU A 1 4.313 4.526 -9.166 1.00 0.00 C ATOM 3 C LEU A 1 3.741 3.280 -9.843 1.00 0.00 C ATOM 4 O LEU A 1 3.291 3.329 -10.973 1.00 0.00 O ATOM 5 CB LEU A 1 3.609 4.743 -7.824 1.00 0.00 C ATOM 6 CG LEU A 1 4.402 5.748 -6.987 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.451 6.499 -6.053 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.449 5.003 -6.156 1.00 0.00 C ATOM 0 H1 LEU A 1 5.010 6.135 -10.289 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.601 5.417 -10.909 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.514 6.413 -9.536 1.00 0.00 H new ATOM 0 HA LEU A 1 5.382 4.392 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.596 5.110 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.523 3.797 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 1 4.898 6.459 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.017 7.215 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.704 7.029 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.954 5.789 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.015 5.718 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.951 4.292 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.127 4.468 -6.820 1.00 0.00 H new ATOM 22 N LEU A 2 3.756 2.165 -9.159 1.00 0.00 N ATOM 23 CA LEU A 2 3.213 0.911 -9.749 1.00 0.00 C ATOM 24 C LEU A 2 1.883 0.575 -9.066 1.00 0.00 C ATOM 25 O LEU A 2 1.260 1.426 -8.458 1.00 0.00 O ATOM 26 CB LEU A 2 4.230 -0.226 -9.530 1.00 0.00 C ATOM 27 CG LEU A 2 4.689 -0.809 -10.877 1.00 0.00 C ATOM 28 CD1 LEU A 2 3.493 -1.406 -11.624 1.00 0.00 C ATOM 29 CD2 LEU A 2 5.327 0.292 -11.732 1.00 0.00 C ATOM 0 H LEU A 2 4.124 2.072 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 2 3.043 1.035 -10.818 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.091 0.151 -8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.780 -1.011 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 2 5.423 -1.592 -10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.827 -1.817 -12.577 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.048 -2.199 -11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.751 -0.628 -11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.650 -0.128 -12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.597 1.081 -11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.188 0.707 -11.208 1.00 0.00 H new ATOM 41 N ALA A 3 1.446 -0.652 -9.163 1.00 0.00 N ATOM 42 CA ALA A 3 0.157 -1.049 -8.525 1.00 0.00 C ATOM 43 C ALA A 3 0.360 -2.334 -7.719 1.00 0.00 C ATOM 44 O ALA A 3 -0.535 -3.149 -7.601 1.00 0.00 O ATOM 45 CB ALA A 3 -0.897 -1.282 -9.610 1.00 0.00 C ATOM 0 H ALA A 3 1.929 -1.401 -9.660 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.180 -0.255 -7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.839 -1.572 -9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.041 -0.364 -10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.562 -2.076 -10.278 1.00 0.00 H new ATOM 51 N CYS A 4 1.532 -2.514 -7.163 1.00 0.00 N ATOM 52 CA CYS A 4 1.810 -3.739 -6.359 1.00 0.00 C ATOM 53 C CYS A 4 3.229 -3.650 -5.797 1.00 0.00 C ATOM 54 O CYS A 4 4.195 -3.958 -6.469 1.00 0.00 O ATOM 55 CB CYS A 4 1.682 -4.980 -7.249 1.00 0.00 C ATOM 56 SG CYS A 4 1.876 -6.486 -6.258 1.00 0.00 S ATOM 0 H CYS A 4 2.311 -1.860 -7.233 1.00 0.00 H new ATOM 0 HA CYS A 4 1.094 -3.815 -5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.710 -4.984 -7.742 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.438 -4.953 -8.034 1.00 0.00 H new ATOM 61 N LEU A 5 3.355 -3.216 -4.572 1.00 0.00 N ATOM 62 CA LEU A 5 4.706 -3.085 -3.948 1.00 0.00 C ATOM 63 C LEU A 5 5.225 -4.463 -3.536 1.00 0.00 C ATOM 64 O LEU A 5 6.419 -4.696 -3.495 1.00 0.00 O ATOM 65 CB LEU A 5 4.618 -2.193 -2.705 1.00 0.00 C ATOM 66 CG LEU A 5 3.895 -0.891 -3.053 1.00 0.00 C ATOM 67 CD1 LEU A 5 3.568 -0.130 -1.767 1.00 0.00 C ATOM 68 CD2 LEU A 5 4.796 -0.027 -3.941 1.00 0.00 C ATOM 0 H LEU A 5 2.576 -2.945 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 5 5.387 -2.640 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.086 -2.714 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.618 -1.976 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 5 2.972 -1.120 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.053 0.798 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.927 -0.744 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.491 0.098 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.281 0.901 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.719 0.202 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.030 -0.568 -4.858 1.00 0.00 H new ATOM 80 N PHE A 6 4.339 -5.374 -3.224 1.00 0.00 N ATOM 81 CA PHE A 6 4.785 -6.737 -2.805 1.00 0.00 C ATOM 82 C PHE A 6 3.892 -7.805 -3.440 1.00 0.00 C ATOM 83 O PHE A 6 4.296 -8.497 -4.355 1.00 0.00 O ATOM 84 CB PHE A 6 4.717 -6.851 -1.279 1.00 0.00 C ATOM 85 CG PHE A 6 5.627 -5.820 -0.657 1.00 0.00 C ATOM 86 CD1 PHE A 6 6.993 -6.087 -0.510 1.00 0.00 C ATOM 87 CD2 PHE A 6 5.104 -4.594 -0.226 1.00 0.00 C ATOM 88 CE1 PHE A 6 7.836 -5.130 0.067 1.00 0.00 C ATOM 89 CE2 PHE A 6 5.948 -3.637 0.352 1.00 0.00 C ATOM 90 CZ PHE A 6 7.313 -3.905 0.498 1.00 0.00 C ATOM 0 H PHE A 6 3.329 -5.234 -3.241 1.00 0.00 H new ATOM 0 HA PHE A 6 5.811 -6.892 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.693 -6.701 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.015 -7.851 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.397 -7.032 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.050 -4.387 -0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.890 -5.337 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.545 -2.692 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.964 -3.167 0.943 1.00 0.00 H new ATOM 100 N GLY A 7 2.688 -7.948 -2.953 1.00 0.00 N ATOM 101 CA GLY A 7 1.766 -8.976 -3.515 1.00 0.00 C ATOM 102 C GLY A 7 2.224 -10.368 -3.080 1.00 0.00 C ATOM 103 O GLY A 7 1.990 -11.347 -3.763 1.00 0.00 O ATOM 0 H GLY A 7 2.303 -7.395 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.748 -8.793 -3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.752 -8.910 -4.603 1.00 0.00 H new ATOM 107 N ASN A 8 2.876 -10.464 -1.946 1.00 0.00 N ATOM 108 CA ASN A 8 3.350 -11.794 -1.462 1.00 0.00 C ATOM 109 C ASN A 8 2.274 -12.461 -0.590 1.00 0.00 C ATOM 110 O ASN A 8 2.509 -13.497 0.001 1.00 0.00 O ATOM 111 CB ASN A 8 4.629 -11.610 -0.641 1.00 0.00 C ATOM 112 CG ASN A 8 5.573 -12.788 -0.892 1.00 0.00 C ATOM 113 OD1 ASN A 8 5.355 -13.873 -0.391 1.00 0.00 O ATOM 114 ND2 ASN A 8 6.619 -12.619 -1.653 1.00 0.00 N ATOM 0 H ASN A 8 3.099 -9.677 -1.336 1.00 0.00 H new ATOM 0 HA ASN A 8 3.551 -12.432 -2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.117 -10.675 -0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.386 -11.545 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.254 -13.398 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.802 -11.708 -2.074 1.00 0.00 H new ATOM 121 N GLY A 9 1.095 -11.886 -0.514 1.00 0.00 N ATOM 122 CA GLY A 9 0.011 -12.494 0.304 1.00 0.00 C ATOM 123 C GLY A 9 0.043 -11.966 1.743 1.00 0.00 C ATOM 124 O GLY A 9 -0.924 -12.094 2.469 1.00 0.00 O ATOM 0 H GLY A 9 0.842 -11.019 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.957 -12.272 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.120 -13.579 0.309 1.00 0.00 H new ATOM 128 N ARG A 10 1.137 -11.377 2.164 1.00 0.00 N ATOM 129 CA ARG A 10 1.215 -10.851 3.561 1.00 0.00 C ATOM 130 C ARG A 10 1.509 -9.349 3.535 1.00 0.00 C ATOM 131 O ARG A 10 2.197 -8.857 2.660 1.00 0.00 O ATOM 132 CB ARG A 10 2.328 -11.575 4.322 1.00 0.00 C ATOM 133 CG ARG A 10 3.650 -11.421 3.567 1.00 0.00 C ATOM 134 CD ARG A 10 4.781 -12.100 4.347 1.00 0.00 C ATOM 135 NE ARG A 10 5.272 -13.288 3.583 1.00 0.00 N ATOM 136 CZ ARG A 10 6.075 -13.157 2.545 1.00 0.00 C ATOM 137 NH1 ARG A 10 6.470 -11.975 2.126 1.00 0.00 N ATOM 138 NH2 ARG A 10 6.484 -14.225 1.917 1.00 0.00 N ATOM 0 H ARG A 10 1.976 -11.239 1.601 1.00 0.00 H new ATOM 0 HA ARG A 10 0.262 -11.023 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.422 -11.164 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.081 -12.631 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.565 -11.863 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.877 -10.364 3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.598 -11.397 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.425 -12.408 5.330 1.00 0.00 H new ATOM 0 HE ARG A 10 4.979 -14.221 3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.155 -11.132 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.091 -11.901 1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.182 -15.148 2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.105 -14.137 1.113 1.00 0.00 H new ATOM 152 N CYS A 11 0.991 -8.625 4.491 1.00 0.00 N ATOM 153 CA CYS A 11 1.231 -7.149 4.535 1.00 0.00 C ATOM 154 C CYS A 11 1.194 -6.641 5.976 1.00 0.00 C ATOM 155 O CYS A 11 0.848 -7.357 6.895 1.00 0.00 O ATOM 156 CB CYS A 11 0.148 -6.421 3.734 1.00 0.00 C ATOM 157 SG CYS A 11 -1.498 -6.962 4.280 1.00 0.00 S ATOM 0 H CYS A 11 0.411 -8.991 5.246 1.00 0.00 H new ATOM 0 HA CYS A 11 2.213 -6.952 4.105 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.248 -5.344 3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.272 -6.624 2.670 1.00 0.00 H new ATOM 162 N SER A 12 1.525 -5.391 6.160 1.00 0.00 N ATOM 163 CA SER A 12 1.491 -4.781 7.522 1.00 0.00 C ATOM 164 C SER A 12 0.583 -3.538 7.506 1.00 0.00 C ATOM 165 O SER A 12 0.493 -2.814 8.480 1.00 0.00 O ATOM 166 CB SER A 12 2.906 -4.374 7.933 1.00 0.00 C ATOM 167 OG SER A 12 3.825 -5.370 7.503 1.00 0.00 O ATOM 0 H SER A 12 1.821 -4.759 5.416 1.00 0.00 H new ATOM 0 HA SER A 12 1.100 -5.506 8.235 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.163 -3.411 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.962 -4.254 9.015 1.00 0.00 H new ATOM 0 HG SER A 12 4.734 -5.111 7.764 1.00 0.00 H new ATOM 173 N SER A 13 -0.091 -3.285 6.404 1.00 0.00 N ATOM 174 CA SER A 13 -0.991 -2.105 6.305 1.00 0.00 C ATOM 175 C SER A 13 -1.661 -2.134 4.930 1.00 0.00 C ATOM 176 O SER A 13 -1.285 -2.912 4.075 1.00 0.00 O ATOM 177 CB SER A 13 -0.175 -0.820 6.456 1.00 0.00 C ATOM 178 OG SER A 13 0.900 -0.836 5.527 1.00 0.00 O ATOM 0 H SER A 13 -0.049 -3.859 5.562 1.00 0.00 H new ATOM 0 HA SER A 13 -1.744 -2.135 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.809 0.050 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.209 -0.736 7.473 1.00 0.00 H new ATOM 0 HG SER A 13 1.551 -1.519 5.792 1.00 0.00 H new ATOM 184 N ASN A 14 -2.646 -1.302 4.708 1.00 0.00 N ATOM 185 CA ASN A 14 -3.336 -1.296 3.383 1.00 0.00 C ATOM 186 C ASN A 14 -2.341 -0.916 2.281 1.00 0.00 C ATOM 187 O ASN A 14 -2.367 -1.466 1.195 1.00 0.00 O ATOM 188 CB ASN A 14 -4.484 -0.285 3.410 1.00 0.00 C ATOM 189 CG ASN A 14 -5.762 -0.983 3.878 1.00 0.00 C ATOM 190 OD1 ASN A 14 -5.751 -1.709 4.853 1.00 0.00 O ATOM 191 ND2 ASN A 14 -6.874 -0.798 3.219 1.00 0.00 N ATOM 0 H ASN A 14 -3.002 -0.628 5.386 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.733 -2.291 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.241 0.541 4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.631 0.142 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.730 -1.262 3.523 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.887 -0.189 2.401 1.00 0.00 H new ATOM 198 N ARG A 15 -1.465 0.017 2.553 1.00 0.00 N ATOM 199 CA ARG A 15 -0.467 0.439 1.525 1.00 0.00 C ATOM 200 C ARG A 15 0.551 -0.680 1.263 1.00 0.00 C ATOM 201 O ARG A 15 1.321 -0.607 0.323 1.00 0.00 O ATOM 202 CB ARG A 15 0.267 1.693 2.008 1.00 0.00 C ATOM 203 CG ARG A 15 0.548 2.615 0.818 1.00 0.00 C ATOM 204 CD ARG A 15 0.934 4.007 1.324 1.00 0.00 C ATOM 205 NE ARG A 15 0.295 5.047 0.458 1.00 0.00 N ATOM 206 CZ ARG A 15 0.732 5.290 -0.762 1.00 0.00 C ATOM 207 NH1 ARG A 15 1.747 4.631 -1.274 1.00 0.00 N ATOM 208 NH2 ARG A 15 0.142 6.207 -1.478 1.00 0.00 N ATOM 0 H ARG A 15 -1.398 0.506 3.446 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.996 0.654 0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.335 2.215 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.202 1.415 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.352 2.203 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.334 2.681 0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.613 4.132 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.018 4.123 1.311 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.496 5.580 0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.217 3.911 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.065 4.839 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.647 6.726 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.470 6.405 -2.423 1.00 0.00 H new ATOM 222 N ASP A 16 0.561 -1.713 2.071 1.00 0.00 N ATOM 223 CA ASP A 16 1.529 -2.826 1.849 1.00 0.00 C ATOM 224 C ASP A 16 0.913 -3.886 0.923 1.00 0.00 C ATOM 225 O ASP A 16 1.411 -4.992 0.833 1.00 0.00 O ATOM 226 CB ASP A 16 1.872 -3.470 3.193 1.00 0.00 C ATOM 227 CG ASP A 16 3.051 -2.729 3.828 1.00 0.00 C ATOM 228 OD1 ASP A 16 4.051 -2.558 3.151 1.00 0.00 O ATOM 229 OD2 ASP A 16 2.933 -2.347 4.980 1.00 0.00 O ATOM 0 H ASP A 16 -0.059 -1.831 2.872 1.00 0.00 H new ATOM 0 HA ASP A 16 2.431 -2.427 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.007 -3.436 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.123 -4.521 3.051 1.00 0.00 H new ATOM 234 N CYS A 17 -0.164 -3.567 0.235 1.00 0.00 N ATOM 235 CA CYS A 17 -0.793 -4.572 -0.674 1.00 0.00 C ATOM 236 C CYS A 17 -0.710 -4.086 -2.125 1.00 0.00 C ATOM 237 O CYS A 17 -0.042 -3.113 -2.421 1.00 0.00 O ATOM 238 CB CYS A 17 -2.255 -4.771 -0.277 1.00 0.00 C ATOM 239 SG CYS A 17 -2.325 -5.585 1.333 1.00 0.00 S ATOM 0 H CYS A 17 -0.628 -2.659 0.267 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.262 -5.520 -0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.767 -3.810 -0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.769 -5.374 -1.026 1.00 0.00 H new ATOM 244 N CYS A 18 -1.374 -4.764 -3.034 1.00 0.00 N ATOM 245 CA CYS A 18 -1.321 -4.348 -4.469 1.00 0.00 C ATOM 246 C CYS A 18 -2.706 -3.873 -4.922 1.00 0.00 C ATOM 247 O CYS A 18 -3.640 -3.827 -4.145 1.00 0.00 O ATOM 248 CB CYS A 18 -0.871 -5.532 -5.335 1.00 0.00 C ATOM 249 SG CYS A 18 0.659 -6.238 -4.662 1.00 0.00 S ATOM 0 H CYS A 18 -1.948 -5.585 -2.842 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.608 -3.531 -4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.652 -6.292 -5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.710 -5.203 -6.362 1.00 0.00 H new ATOM 254 N GLU A 19 -2.836 -3.513 -6.175 1.00 0.00 N ATOM 255 CA GLU A 19 -4.152 -3.030 -6.693 1.00 0.00 C ATOM 256 C GLU A 19 -5.200 -4.141 -6.579 1.00 0.00 C ATOM 257 O GLU A 19 -6.296 -3.921 -6.099 1.00 0.00 O ATOM 258 CB GLU A 19 -4.002 -2.621 -8.160 1.00 0.00 C ATOM 259 CG GLU A 19 -5.300 -1.975 -8.650 1.00 0.00 C ATOM 260 CD GLU A 19 -4.973 -0.813 -9.592 1.00 0.00 C ATOM 261 OE1 GLU A 19 -4.727 0.274 -9.096 1.00 0.00 O ATOM 262 OE2 GLU A 19 -4.973 -1.032 -10.792 1.00 0.00 O ATOM 0 H GLU A 19 -2.084 -3.533 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.475 -2.172 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.173 -1.922 -8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.766 -3.494 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.913 -2.714 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.882 -1.615 -7.801 1.00 0.00 H new ATOM 269 N LEU A 20 -4.873 -5.333 -7.017 1.00 0.00 N ATOM 270 CA LEU A 20 -5.850 -6.467 -6.939 1.00 0.00 C ATOM 271 C LEU A 20 -6.330 -6.651 -5.490 1.00 0.00 C ATOM 272 O LEU A 20 -7.394 -7.184 -5.245 1.00 0.00 O ATOM 273 CB LEU A 20 -5.167 -7.757 -7.424 1.00 0.00 C ATOM 274 CG LEU A 20 -6.070 -8.500 -8.423 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.405 -8.854 -7.758 1.00 0.00 C ATOM 276 CD2 LEU A 20 -6.323 -7.616 -9.654 1.00 0.00 C ATOM 0 H LEU A 20 -3.970 -5.571 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.710 -6.245 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.214 -7.516 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.948 -8.402 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.573 -9.418 -8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.039 -9.380 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.223 -9.494 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.904 -7.940 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.963 -8.147 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.812 -6.693 -9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.373 -7.380 -10.134 1.00 0.00 H new ATOM 288 N THR A 21 -5.550 -6.208 -4.536 1.00 0.00 N ATOM 289 CA THR A 21 -5.946 -6.344 -3.106 1.00 0.00 C ATOM 290 C THR A 21 -5.720 -5.001 -2.401 1.00 0.00 C ATOM 291 O THR A 21 -4.667 -4.774 -1.848 1.00 0.00 O ATOM 292 CB THR A 21 -5.078 -7.416 -2.443 1.00 0.00 C ATOM 293 OG1 THR A 21 -3.708 -7.052 -2.567 1.00 0.00 O ATOM 294 CG2 THR A 21 -5.315 -8.764 -3.128 1.00 0.00 C ATOM 0 H THR A 21 -4.649 -5.755 -4.691 1.00 0.00 H new ATOM 0 HA THR A 21 -6.996 -6.629 -3.035 1.00 0.00 H new ATOM 0 HB THR A 21 -5.340 -7.498 -1.388 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.631 -6.076 -2.603 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.696 -9.526 -2.655 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.365 -9.040 -3.035 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.052 -8.687 -4.183 1.00 0.00 H new ATOM 302 N PRO A 22 -6.710 -4.138 -2.441 1.00 0.00 N ATOM 303 CA PRO A 22 -6.633 -2.786 -1.802 1.00 0.00 C ATOM 304 C PRO A 22 -6.841 -2.850 -0.283 1.00 0.00 C ATOM 305 O PRO A 22 -6.916 -1.823 0.366 1.00 0.00 O ATOM 306 CB PRO A 22 -7.757 -2.009 -2.471 1.00 0.00 C ATOM 307 CG PRO A 22 -8.768 -3.024 -2.968 1.00 0.00 C ATOM 308 CD PRO A 22 -8.039 -4.358 -3.118 1.00 0.00 C ATOM 0 HA PRO A 22 -5.653 -2.327 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.220 -1.318 -1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.373 -1.412 -3.298 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.597 -3.116 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.192 -2.709 -3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.595 -5.169 -2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.911 -4.625 -4.167 1.00 0.00 H new ATOM 316 N VAL A 23 -6.933 -4.029 0.299 1.00 0.00 N ATOM 317 CA VAL A 23 -7.131 -4.100 1.781 1.00 0.00 C ATOM 318 C VAL A 23 -6.059 -4.985 2.434 1.00 0.00 C ATOM 319 O VAL A 23 -5.601 -5.957 1.864 1.00 0.00 O ATOM 320 CB VAL A 23 -8.535 -4.642 2.089 1.00 0.00 C ATOM 321 CG1 VAL A 23 -8.691 -6.077 1.583 1.00 0.00 C ATOM 322 CG2 VAL A 23 -8.778 -4.604 3.601 1.00 0.00 C ATOM 0 H VAL A 23 -6.880 -4.927 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.036 -3.097 2.196 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.266 -4.015 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.694 -6.437 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.536 -6.101 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.955 -6.717 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.774 -4.989 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.033 -5.220 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.700 -3.577 3.956 1.00 0.00 H new ATOM 332 N CYS A 24 -5.672 -4.646 3.638 1.00 0.00 N ATOM 333 CA CYS A 24 -4.644 -5.447 4.367 1.00 0.00 C ATOM 334 C CYS A 24 -5.237 -5.862 5.718 1.00 0.00 C ATOM 335 O CYS A 24 -5.240 -5.098 6.666 1.00 0.00 O ATOM 336 CB CYS A 24 -3.386 -4.590 4.576 1.00 0.00 C ATOM 337 SG CYS A 24 -2.131 -5.502 5.524 1.00 0.00 S ATOM 0 H CYS A 24 -6.029 -3.840 4.151 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.368 -6.334 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.976 -4.297 3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.649 -3.672 5.102 1.00 0.00 H new ATOM 342 N LYS A 25 -5.742 -7.064 5.804 1.00 0.00 N ATOM 343 CA LYS A 25 -6.345 -7.539 7.086 1.00 0.00 C ATOM 344 C LYS A 25 -5.783 -8.915 7.444 1.00 0.00 C ATOM 345 O LYS A 25 -5.462 -9.706 6.580 1.00 0.00 O ATOM 346 CB LYS A 25 -7.864 -7.635 6.927 1.00 0.00 C ATOM 347 CG LYS A 25 -8.455 -6.230 6.799 1.00 0.00 C ATOM 348 CD LYS A 25 -8.643 -5.626 8.192 1.00 0.00 C ATOM 349 CE LYS A 25 -8.506 -4.104 8.112 1.00 0.00 C ATOM 350 NZ LYS A 25 -9.693 -3.534 7.413 1.00 0.00 N ATOM 0 H LYS A 25 -5.763 -7.740 5.040 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.103 -6.834 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.111 -8.226 6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.298 -8.147 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.795 -5.599 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.411 -6.272 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.623 -5.893 8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.901 -6.033 8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.424 -3.682 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.594 -3.838 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.617 -2.497 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.733 -3.901 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.559 -3.805 7.921 1.00 0.00 H new ATOM 364 N ARG A 26 -5.661 -9.199 8.718 1.00 0.00 N ATOM 365 CA ARG A 26 -5.119 -10.521 9.159 1.00 0.00 C ATOM 366 C ARG A 26 -3.699 -10.707 8.615 1.00 0.00 C ATOM 367 O ARG A 26 -3.286 -11.806 8.298 1.00 0.00 O ATOM 368 CB ARG A 26 -6.020 -11.650 8.649 1.00 0.00 C ATOM 369 CG ARG A 26 -7.237 -11.784 9.567 1.00 0.00 C ATOM 370 CD ARG A 26 -7.705 -13.240 9.587 1.00 0.00 C ATOM 371 NE ARG A 26 -8.851 -13.383 10.539 1.00 0.00 N ATOM 372 CZ ARG A 26 -9.591 -14.475 10.566 1.00 0.00 C ATOM 373 NH1 ARG A 26 -9.354 -15.486 9.762 1.00 0.00 N ATOM 374 NH2 ARG A 26 -10.581 -14.551 11.413 1.00 0.00 N ATOM 0 H ARG A 26 -5.916 -8.566 9.476 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.093 -10.549 10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.342 -11.441 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.466 -12.588 8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.982 -11.459 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.042 -11.137 9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.008 -13.549 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.885 -13.893 9.887 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.065 -12.620 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.583 -15.438 9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.941 -16.319 9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.774 -13.772 12.043 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.162 -15.389 11.445 1.00 0.00 H new ATOM 388 N GLY A 27 -2.951 -9.637 8.512 1.00 0.00 N ATOM 389 CA GLY A 27 -1.551 -9.734 7.996 1.00 0.00 C ATOM 390 C GLY A 27 -1.552 -10.307 6.576 1.00 0.00 C ATOM 391 O GLY A 27 -0.580 -10.896 6.139 1.00 0.00 O ATOM 0 H GLY A 27 -3.252 -8.696 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.085 -8.749 7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.956 -10.369 8.652 1.00 0.00 H new ATOM 395 N SER A 28 -2.630 -10.137 5.853 1.00 0.00 N ATOM 396 CA SER A 28 -2.696 -10.669 4.461 1.00 0.00 C ATOM 397 C SER A 28 -3.447 -9.677 3.574 1.00 0.00 C ATOM 398 O SER A 28 -4.224 -8.876 4.054 1.00 0.00 O ATOM 399 CB SER A 28 -3.425 -12.012 4.460 1.00 0.00 C ATOM 400 OG SER A 28 -2.506 -13.046 4.788 1.00 0.00 O ATOM 0 H SER A 28 -3.469 -9.651 6.169 1.00 0.00 H new ATOM 0 HA SER A 28 -1.686 -10.808 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.243 -11.995 5.180 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.866 -12.199 3.481 1.00 0.00 H new ATOM 0 HG SER A 28 -1.760 -13.034 4.153 1.00 0.00 H new ATOM 406 N CYS A 29 -3.217 -9.720 2.287 1.00 0.00 N ATOM 407 CA CYS A 29 -3.915 -8.770 1.369 1.00 0.00 C ATOM 408 C CYS A 29 -5.117 -9.453 0.725 1.00 0.00 C ATOM 409 O CYS A 29 -5.053 -10.604 0.336 1.00 0.00 O ATOM 410 CB CYS A 29 -2.961 -8.331 0.259 1.00 0.00 C ATOM 411 SG CYS A 29 -1.574 -7.423 0.970 1.00 0.00 S ATOM 0 H CYS A 29 -2.577 -10.371 1.832 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.244 -7.907 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.597 -9.202 -0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.488 -7.704 -0.460 1.00 0.00 H new ATOM 416 N VAL A 30 -6.205 -8.740 0.583 1.00 0.00 N ATOM 417 CA VAL A 30 -7.404 -9.327 -0.064 1.00 0.00 C ATOM 418 C VAL A 30 -8.196 -8.212 -0.753 1.00 0.00 C ATOM 419 O VAL A 30 -7.757 -7.071 -0.831 1.00 0.00 O ATOM 420 CB VAL A 30 -8.275 -10.041 0.980 1.00 0.00 C ATOM 421 CG1 VAL A 30 -7.441 -11.105 1.695 1.00 0.00 C ATOM 422 CG2 VAL A 30 -8.797 -9.036 2.009 1.00 0.00 C ATOM 0 H VAL A 30 -6.309 -7.773 0.890 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.096 -10.062 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.121 -10.508 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.058 -11.613 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.076 -11.831 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.594 -10.631 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.413 -9.554 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.955 -8.560 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.395 -8.277 1.505 1.00 0.00 H new ATOM 432 N SER A 31 -9.356 -8.542 -1.250 1.00 0.00 N ATOM 433 CA SER A 31 -10.196 -7.531 -1.946 1.00 0.00 C ATOM 434 C SER A 31 -11.007 -6.733 -0.925 1.00 0.00 C ATOM 435 O SER A 31 -11.802 -7.280 -0.184 1.00 0.00 O ATOM 436 CB SER A 31 -11.146 -8.235 -2.914 1.00 0.00 C ATOM 437 OG SER A 31 -11.796 -9.305 -2.239 1.00 0.00 O ATOM 0 H SER A 31 -9.760 -9.477 -1.202 1.00 0.00 H new ATOM 0 HA SER A 31 -9.549 -6.850 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.884 -7.529 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.593 -8.614 -3.773 1.00 0.00 H new ATOM 0 HG SER A 31 -12.084 -9.005 -1.352 1.00 0.00 H new ATOM 443 N SER A 32 -10.806 -5.442 -0.887 1.00 0.00 N ATOM 444 CA SER A 32 -11.559 -4.588 0.079 1.00 0.00 C ATOM 445 C SER A 32 -13.053 -4.652 -0.243 1.00 0.00 C ATOM 446 O SER A 32 -13.886 -4.701 0.643 1.00 0.00 O ATOM 447 CB SER A 32 -11.073 -3.143 -0.035 1.00 0.00 C ATOM 448 OG SER A 32 -11.566 -2.575 -1.242 1.00 0.00 O ATOM 0 H SER A 32 -10.150 -4.940 -1.486 1.00 0.00 H new ATOM 0 HA SER A 32 -11.391 -4.949 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.418 -2.563 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.984 -3.112 -0.023 1.00 0.00 H new ATOM 0 HG SER A 32 -11.257 -1.648 -1.317 1.00 0.00 H new ATOM 454 N GLY A 33 -13.395 -4.651 -1.507 1.00 0.00 N ATOM 455 CA GLY A 33 -14.834 -4.712 -1.900 1.00 0.00 C ATOM 456 C GLY A 33 -15.521 -3.385 -1.545 1.00 0.00 C ATOM 457 O GLY A 33 -16.367 -3.353 -0.673 1.00 0.00 O ATOM 0 H GLY A 33 -12.737 -4.610 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.922 -4.904 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.327 -5.537 -1.386 1.00 0.00 H new ATOM 461 N PRO A 34 -15.147 -2.319 -2.228 1.00 0.00 N ATOM 462 CA PRO A 34 -15.719 -0.955 -2.008 1.00 0.00 C ATOM 463 C PRO A 34 -16.984 -0.763 -2.850 1.00 0.00 C ATOM 464 O PRO A 34 -16.914 -0.491 -4.033 1.00 0.00 O ATOM 465 CB PRO A 34 -14.606 -0.030 -2.480 1.00 0.00 C ATOM 466 CG PRO A 34 -13.758 -0.812 -3.470 1.00 0.00 C ATOM 467 CD PRO A 34 -14.108 -2.296 -3.319 1.00 0.00 C ATOM 0 HA PRO A 34 -16.014 -0.771 -0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.021 0.862 -2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.002 0.305 -1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.952 -0.476 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.698 -0.648 -3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.497 -2.710 -4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.233 -2.887 -3.049 1.00 0.00 H new ATOM 475 N GLY A 35 -18.136 -0.904 -2.246 1.00 0.00 N ATOM 476 CA GLY A 35 -19.411 -0.732 -3.003 1.00 0.00 C ATOM 477 C GLY A 35 -19.543 -1.850 -4.039 1.00 0.00 C ATOM 478 O GLY A 35 -19.162 -1.692 -5.185 1.00 0.00 O ATOM 0 H GLY A 35 -18.248 -1.132 -1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.259 -0.754 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -19.425 0.240 -3.497 1.00 0.00 H new ATOM 482 N LEU A 36 -20.078 -2.977 -3.643 1.00 0.00 N ATOM 483 CA LEU A 36 -20.238 -4.112 -4.598 1.00 0.00 C ATOM 484 C LEU A 36 -21.235 -3.725 -5.692 1.00 0.00 C ATOM 485 O LEU A 36 -22.432 -3.876 -5.534 1.00 0.00 O ATOM 486 CB LEU A 36 -20.758 -5.340 -3.846 1.00 0.00 C ATOM 487 CG LEU A 36 -20.220 -6.609 -4.508 1.00 0.00 C ATOM 488 CD1 LEU A 36 -18.728 -6.753 -4.203 1.00 0.00 C ATOM 489 CD2 LEU A 36 -20.971 -7.826 -3.962 1.00 0.00 C ATOM 0 H LEU A 36 -20.411 -3.159 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.274 -4.343 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -20.445 -5.300 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -21.848 -5.348 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 36 -20.365 -6.544 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.346 -7.658 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.192 -5.887 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.582 -6.817 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -20.588 -8.731 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.826 -7.889 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -22.034 -7.725 -4.180 1.00 0.00 H new ATOM 501 N VAL A 37 -20.748 -3.227 -6.801 1.00 0.00 N ATOM 502 CA VAL A 37 -21.658 -2.826 -7.913 1.00 0.00 C ATOM 503 C VAL A 37 -21.482 -3.789 -9.088 1.00 0.00 C ATOM 504 O VAL A 37 -20.773 -4.773 -8.993 1.00 0.00 O ATOM 505 CB VAL A 37 -21.321 -1.405 -8.365 1.00 0.00 C ATOM 506 CG1 VAL A 37 -21.653 -0.419 -7.244 1.00 0.00 C ATOM 507 CG2 VAL A 37 -19.829 -1.315 -8.696 1.00 0.00 C ATOM 0 H VAL A 37 -19.755 -3.081 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 37 -22.690 -2.860 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 37 -21.907 -1.159 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -21.412 0.594 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -22.715 -0.482 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -21.068 -0.666 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -19.588 -0.302 -9.018 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -19.244 -1.563 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -19.591 -2.016 -9.496 1.00 0.00 H new ATOM 517 N GLY A 38 -22.122 -3.509 -10.196 1.00 0.00 N ATOM 518 CA GLY A 38 -21.997 -4.401 -11.385 1.00 0.00 C ATOM 519 C GLY A 38 -20.551 -4.394 -11.882 1.00 0.00 C ATOM 520 O GLY A 38 -19.699 -3.727 -11.326 1.00 0.00 O ATOM 0 H GLY A 38 -22.727 -2.698 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.298 -5.416 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.666 -4.064 -12.177 1.00 0.00 H new ATOM 524 N GLY A 39 -20.270 -5.132 -12.925 1.00 0.00 N ATOM 525 CA GLY A 39 -18.880 -5.175 -13.467 1.00 0.00 C ATOM 526 C GLY A 39 -18.881 -5.880 -14.824 1.00 0.00 C ATOM 527 O GLY A 39 -19.747 -5.653 -15.649 1.00 0.00 O ATOM 0 H GLY A 39 -20.946 -5.708 -13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -18.488 -4.163 -13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -18.224 -5.701 -12.773 1.00 0.00 H new ATOM 531 N ILE A 40 -17.917 -6.734 -15.060 1.00 0.00 N ATOM 532 CA ILE A 40 -17.852 -7.460 -16.363 1.00 0.00 C ATOM 533 C ILE A 40 -18.690 -8.739 -16.291 1.00 0.00 C ATOM 534 O ILE A 40 -19.137 -9.253 -17.299 1.00 0.00 O ATOM 535 CB ILE A 40 -16.398 -7.818 -16.677 1.00 0.00 C ATOM 536 CG1 ILE A 40 -15.538 -6.553 -16.613 1.00 0.00 C ATOM 537 CG2 ILE A 40 -16.311 -8.420 -18.080 1.00 0.00 C ATOM 538 CD1 ILE A 40 -14.058 -6.942 -16.600 1.00 0.00 C ATOM 0 H ILE A 40 -17.170 -6.960 -14.403 1.00 0.00 H new ATOM 0 HA ILE A 40 -18.248 -6.818 -17.150 1.00 0.00 H new ATOM 0 HB ILE A 40 -16.037 -8.543 -15.948 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.749 -5.913 -17.470 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -15.782 -5.979 -15.719 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -15.275 -8.675 -18.303 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -16.924 -9.320 -18.129 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -16.672 -7.695 -18.810 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.446 -6.042 -16.554 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.853 -7.565 -15.729 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.820 -7.497 -17.507 1.00 0.00 H new ATOM 550 N LEU A 41 -18.905 -9.254 -15.110 1.00 0.00 N ATOM 551 CA LEU A 41 -19.714 -10.499 -14.963 1.00 0.00 C ATOM 552 C LEU A 41 -20.915 -10.225 -14.057 1.00 0.00 C ATOM 553 O LEU A 41 -20.879 -10.487 -12.869 1.00 0.00 O ATOM 554 CB LEU A 41 -18.848 -11.600 -14.344 1.00 0.00 C ATOM 555 CG LEU A 41 -17.711 -11.958 -15.303 1.00 0.00 C ATOM 556 CD1 LEU A 41 -16.457 -11.165 -14.929 1.00 0.00 C ATOM 557 CD2 LEU A 41 -17.412 -13.456 -15.204 1.00 0.00 C ATOM 0 H LEU A 41 -18.553 -8.864 -14.236 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.066 -10.821 -15.943 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -18.441 -11.264 -13.391 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.455 -12.482 -14.138 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.007 -11.711 -16.323 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.647 -11.421 -15.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -16.667 -10.098 -14.998 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.162 -11.411 -13.909 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.602 -13.711 -15.887 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.117 -13.702 -14.184 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.304 -14.023 -15.470 1.00 0.00 H new ATOM 569 N GLY A 42 -21.978 -9.700 -14.610 1.00 0.00 N ATOM 570 CA GLY A 42 -23.189 -9.404 -13.789 1.00 0.00 C ATOM 571 C GLY A 42 -24.002 -10.685 -13.597 1.00 0.00 C ATOM 572 O GLY A 42 -24.438 -10.995 -12.504 1.00 0.00 O ATOM 0 H GLY A 42 -22.059 -9.463 -15.599 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -22.895 -8.999 -12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -23.798 -8.645 -14.280 1.00 0.00 H new ATOM 576 N GLY A 43 -24.206 -11.431 -14.653 1.00 0.00 N ATOM 577 CA GLY A 43 -24.991 -12.697 -14.544 1.00 0.00 C ATOM 578 C GLY A 43 -26.135 -12.678 -15.559 1.00 0.00 C ATOM 579 O GLY A 43 -27.137 -12.017 -15.363 1.00 0.00 O ATOM 0 H GLY A 43 -23.861 -11.217 -15.589 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.344 -13.555 -14.726 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.388 -12.805 -13.535 1.00 0.00 H new ATOM 583 N ILE A 44 -25.989 -13.399 -16.642 1.00 0.00 N ATOM 584 CA ILE A 44 -27.064 -13.430 -17.677 1.00 0.00 C ATOM 585 C ILE A 44 -27.299 -14.874 -18.125 1.00 0.00 C ATOM 586 O ILE A 44 -26.535 -15.425 -18.896 1.00 0.00 O ATOM 587 CB ILE A 44 -26.636 -12.586 -18.880 1.00 0.00 C ATOM 588 CG1 ILE A 44 -26.248 -11.183 -18.407 1.00 0.00 C ATOM 589 CG2 ILE A 44 -27.799 -12.485 -19.870 1.00 0.00 C ATOM 590 CD1 ILE A 44 -25.593 -10.419 -19.559 1.00 0.00 C ATOM 0 H ILE A 44 -25.169 -13.968 -16.853 1.00 0.00 H new ATOM 0 HA ILE A 44 -27.985 -13.026 -17.258 1.00 0.00 H new ATOM 0 HB ILE A 44 -25.781 -13.055 -19.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -27.131 -10.648 -18.058 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -25.561 -11.249 -17.563 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -27.496 -11.884 -20.727 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -28.078 -13.483 -20.207 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -28.653 -12.015 -19.382 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -25.317 -9.420 -19.222 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -24.700 -10.951 -19.887 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -26.295 -10.341 -20.389 1.00 0.00 H new ATOM 602 N LEU A 45 -28.351 -15.488 -17.647 1.00 0.00 N ATOM 603 CA LEU A 45 -28.647 -16.897 -18.039 1.00 0.00 C ATOM 604 C LEU A 45 -30.126 -17.025 -18.408 1.00 0.00 C ATOM 605 O LEU A 45 -30.487 -18.035 -18.990 1.00 0.00 O ATOM 606 CB LEU A 45 -28.330 -17.830 -16.868 1.00 0.00 C ATOM 607 CG LEU A 45 -26.876 -17.636 -16.438 1.00 0.00 C ATOM 608 CD1 LEU A 45 -26.809 -16.601 -15.313 1.00 0.00 C ATOM 609 CD2 LEU A 45 -26.310 -18.966 -15.938 1.00 0.00 C ATOM 610 OXT LEU A 45 -30.873 -16.111 -18.102 1.00 0.00 O ATOM 0 H LEU A 45 -29.020 -15.071 -16.999 1.00 0.00 H new ATOM 0 HA LEU A 45 -28.034 -17.171 -18.898 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -28.998 -17.621 -16.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -28.498 -18.867 -17.160 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.291 -17.287 -17.289 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.772 -16.463 -15.007 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -27.212 -15.652 -15.667 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.395 -16.949 -14.463 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.273 -18.828 -15.631 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.897 -19.314 -15.088 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -26.356 -19.705 -16.738 1.00 0.00 H new TER 622 LEU A 45