USER MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 280 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 2 SER OG : rot 23:sc= 0.11 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00354 USER MOD Single : A 15 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 68:sc= 1.32 USER MOD Single : A 36 THR OG1 : rot -3:sc= -0.563 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 19.479 17.765 12.323 1.00 52.50 N ATOM 9 CA SER A 2 19.529 17.682 10.868 1.00 11.33 C ATOM 10 C SER A 2 18.153 17.936 10.261 1.00 31.03 C ATOM 11 O SER A 2 17.373 17.007 10.056 1.00 64.23 O ATOM 12 CB SER A 2 20.046 16.309 10.433 1.00 51.40 C ATOM 13 OG SER A 2 21.295 16.020 11.036 1.00 31.41 O ATOM 0 HA SER A 2 20.212 18.451 10.508 1.00 11.33 H new ATOM 0 HB2 SER A 2 19.321 15.541 10.704 1.00 51.40 H new ATOM 0 HB3 SER A 2 20.148 16.282 9.348 1.00 51.40 H new ATOM 0 HG SER A 2 21.395 16.552 11.853 1.00 31.41 H new ATOM 18 N GLN A 3 17.863 19.203 9.977 1.00 23.53 N ATOM 19 CA GLN A 3 16.582 19.579 9.394 1.00 54.15 C ATOM 20 C GLN A 3 16.769 20.612 8.287 1.00 0.31 C ATOM 21 O GLN A 3 15.971 21.539 8.147 1.00 2.44 O ATOM 22 CB GLN A 3 15.650 20.135 10.473 1.00 32.54 C ATOM 23 CG GLN A 3 15.434 19.183 11.638 1.00 14.04 C ATOM 24 CD GLN A 3 14.228 19.554 12.479 1.00 2.41 C ATOM 25 OE1 GLN A 3 13.769 20.697 12.457 1.00 62.55 O ATOM 26 NE2 GLN A 3 13.708 18.588 13.228 1.00 45.42 N ATOM 0 H GLN A 3 18.498 19.984 10.141 1.00 23.53 H new ATOM 0 HA GLN A 3 16.133 18.685 8.960 1.00 54.15 H new ATOM 0 HB2 GLN A 3 16.062 21.071 10.851 1.00 32.54 H new ATOM 0 HB3 GLN A 3 14.686 20.370 10.023 1.00 32.54 H new ATOM 0 HG2 GLN A 3 15.308 18.170 11.256 1.00 14.04 H new ATOM 0 HG3 GLN A 3 16.324 19.178 12.268 1.00 14.04 H new ATOM 0 HE21 GLN A 3 14.120 17.655 13.216 1.00 45.42 H new ATOM 0 HE22 GLN A 3 12.896 18.779 13.815 1.00 45.42 H new ATOM 33 N LYS A 4 17.829 20.446 7.504 1.00 64.42 N ATOM 34 CA LYS A 4 18.122 21.361 6.408 1.00 40.23 C ATOM 35 C LYS A 4 18.156 20.622 5.074 1.00 23.03 C ATOM 36 O LYS A 4 17.627 21.104 4.071 1.00 3.43 O ATOM 37 CB LYS A 4 19.460 22.064 6.648 1.00 52.32 C ATOM 38 CG LYS A 4 19.449 23.003 7.842 1.00 51.34 C ATOM 39 CD LYS A 4 20.508 24.085 7.710 1.00 53.31 C ATOM 40 CE LYS A 4 20.498 25.023 8.907 1.00 71.13 C ATOM 41 NZ LYS A 4 21.357 24.519 10.014 1.00 52.23 N ATOM 0 H LYS A 4 18.500 19.685 7.608 1.00 64.42 H new ATOM 0 HA LYS A 4 17.328 22.107 6.369 1.00 40.23 H new ATOM 0 HB2 LYS A 4 20.235 21.312 6.795 1.00 52.32 H new ATOM 0 HB3 LYS A 4 19.730 22.628 5.755 1.00 52.32 H new ATOM 0 HG2 LYS A 4 18.466 23.464 7.934 1.00 51.34 H new ATOM 0 HG3 LYS A 4 19.621 22.434 8.755 1.00 51.34 H new ATOM 0 HD2 LYS A 4 21.491 23.624 7.616 1.00 53.31 H new ATOM 0 HD3 LYS A 4 20.335 24.656 6.798 1.00 53.31 H new ATOM 0 HE2 LYS A 4 20.845 26.009 8.598 1.00 71.13 H new ATOM 0 HE3 LYS A 4 19.476 25.143 9.266 1.00 71.13 H new ATOM 0 HZ1 LYS A 4 21.323 25.186 10.811 1.00 52.23 H new ATOM 0 HZ2 LYS A 4 21.011 23.589 10.326 1.00 52.23 H new ATOM 0 HZ3 LYS A 4 22.338 24.429 9.679 1.00 52.23 H new ATOM 51 N LEU A 5 18.779 19.449 5.069 1.00 51.21 N ATOM 52 CA LEU A 5 18.880 18.641 3.859 1.00 4.01 C ATOM 53 C LEU A 5 17.563 17.930 3.566 1.00 53.12 C ATOM 54 O LEU A 5 17.166 17.789 2.410 1.00 54.14 O ATOM 55 CB LEU A 5 20.007 17.616 3.999 1.00 62.41 C ATOM 56 CG LEU A 5 20.706 17.205 2.703 1.00 45.12 C ATOM 57 CD1 LEU A 5 21.593 18.331 2.195 1.00 62.22 C ATOM 58 CD2 LEU A 5 21.520 15.936 2.914 1.00 40.34 C ATOM 0 H LEU A 5 19.222 19.036 5.890 1.00 51.21 H new ATOM 0 HA LEU A 5 19.104 19.307 3.026 1.00 4.01 H new ATOM 0 HB2 LEU A 5 20.756 18.020 4.680 1.00 62.41 H new ATOM 0 HB3 LEU A 5 19.600 16.720 4.468 1.00 62.41 H new ATOM 0 HG LEU A 5 19.944 17.002 1.951 1.00 45.12 H new ATOM 0 HD11 LEU A 5 22.082 18.020 1.272 1.00 62.22 H new ATOM 0 HD12 LEU A 5 20.985 19.215 2.004 1.00 62.22 H new ATOM 0 HD13 LEU A 5 22.348 18.566 2.945 1.00 62.22 H new ATOM 0 HD21 LEU A 5 22.010 15.659 1.981 1.00 40.34 H new ATOM 0 HD22 LEU A 5 22.274 16.111 3.682 1.00 40.34 H new ATOM 0 HD23 LEU A 5 20.860 15.129 3.231 1.00 40.34 H new ATOM 69 N VAL A 6 16.889 17.486 4.622 1.00 52.33 N ATOM 70 CA VAL A 6 15.614 16.794 4.480 1.00 65.11 C ATOM 71 C VAL A 6 14.609 17.644 3.712 1.00 44.05 C ATOM 72 O VAL A 6 13.962 17.169 2.779 1.00 50.34 O ATOM 73 CB VAL A 6 15.018 16.426 5.852 1.00 3.21 C ATOM 74 CG1 VAL A 6 13.775 15.566 5.681 1.00 24.12 C ATOM 75 CG2 VAL A 6 16.054 15.716 6.709 1.00 13.45 C ATOM 0 H VAL A 6 17.205 17.593 5.586 1.00 52.33 H new ATOM 0 HA VAL A 6 15.812 15.879 3.922 1.00 65.11 H new ATOM 0 HB VAL A 6 14.727 17.345 6.361 1.00 3.21 H new ATOM 0 HG11 VAL A 6 13.368 15.316 6.661 1.00 24.12 H new ATOM 0 HG12 VAL A 6 13.029 16.115 5.107 1.00 24.12 H new ATOM 0 HG13 VAL A 6 14.037 14.649 5.152 1.00 24.12 H new ATOM 0 HG21 VAL A 6 15.616 15.463 7.675 1.00 13.45 H new ATOM 0 HG22 VAL A 6 16.378 14.804 6.208 1.00 13.45 H new ATOM 0 HG23 VAL A 6 16.912 16.371 6.860 1.00 13.45 H new ATOM 85 N PHE A 7 14.483 18.906 4.110 1.00 31.42 N ATOM 86 CA PHE A 7 13.556 19.824 3.460 1.00 33.24 C ATOM 87 C PHE A 7 13.800 19.869 1.955 1.00 24.11 C ATOM 88 O PHE A 7 12.899 19.600 1.161 1.00 50.35 O ATOM 89 CB PHE A 7 13.697 21.228 4.053 1.00 73.05 C ATOM 90 CG PHE A 7 12.809 21.469 5.240 1.00 54.14 C ATOM 91 CD1 PHE A 7 13.040 20.816 6.439 1.00 0.10 C ATOM 92 CD2 PHE A 7 11.741 22.350 5.157 1.00 63.35 C ATOM 93 CE1 PHE A 7 12.225 21.036 7.534 1.00 10.31 C ATOM 94 CE2 PHE A 7 10.923 22.574 6.248 1.00 64.21 C ATOM 95 CZ PHE A 7 11.165 21.915 7.438 1.00 60.23 C ATOM 0 H PHE A 7 15.012 19.316 4.880 1.00 31.42 H new ATOM 0 HA PHE A 7 12.543 19.462 3.635 1.00 33.24 H new ATOM 0 HB2 PHE A 7 14.734 21.387 4.347 1.00 73.05 H new ATOM 0 HB3 PHE A 7 13.468 21.964 3.282 1.00 73.05 H new ATOM 0 HD1 PHE A 7 13.867 20.126 6.520 1.00 0.10 H new ATOM 0 HD2 PHE A 7 11.546 22.867 4.229 1.00 63.35 H new ATOM 0 HE1 PHE A 7 12.418 20.521 8.463 1.00 10.31 H new ATOM 0 HE2 PHE A 7 10.095 23.264 6.171 1.00 64.21 H new ATOM 0 HZ PHE A 7 10.526 22.087 8.291 1.00 60.23 H new ATOM 104 N PHE A 8 15.025 20.209 1.570 1.00 11.31 N ATOM 105 CA PHE A 8 15.389 20.291 0.160 1.00 62.50 C ATOM 106 C PHE A 8 15.220 18.937 -0.524 1.00 42.03 C ATOM 107 O PHE A 8 14.839 18.863 -1.692 1.00 53.30 O ATOM 108 CB PHE A 8 16.833 20.773 0.011 1.00 22.11 C ATOM 109 CG PHE A 8 17.018 22.224 0.352 1.00 1.25 C ATOM 110 CD1 PHE A 8 16.356 23.208 -0.364 1.00 42.22 C ATOM 111 CD2 PHE A 8 17.855 22.604 1.389 1.00 4.55 C ATOM 112 CE1 PHE A 8 16.527 24.544 -0.052 1.00 54.15 C ATOM 113 CE2 PHE A 8 18.028 23.938 1.706 1.00 4.23 C ATOM 114 CZ PHE A 8 17.362 24.909 0.985 1.00 52.33 C ATOM 0 H PHE A 8 15.783 20.432 2.215 1.00 11.31 H new ATOM 0 HA PHE A 8 14.723 21.008 -0.321 1.00 62.50 H new ATOM 0 HB2 PHE A 8 17.476 20.172 0.653 1.00 22.11 H new ATOM 0 HB3 PHE A 8 17.160 20.604 -1.015 1.00 22.11 H new ATOM 0 HD1 PHE A 8 15.699 22.929 -1.175 1.00 42.22 H new ATOM 0 HD2 PHE A 8 18.378 21.849 1.956 1.00 4.55 H new ATOM 0 HE1 PHE A 8 16.007 25.302 -0.619 1.00 54.15 H new ATOM 0 HE2 PHE A 8 18.683 24.221 2.517 1.00 4.23 H new ATOM 0 HZ PHE A 8 17.494 25.952 1.232 1.00 52.33 H new ATOM 123 N ALA A 9 15.507 17.869 0.211 1.00 14.25 N ATOM 124 CA ALA A 9 15.386 16.518 -0.322 1.00 45.40 C ATOM 125 C ALA A 9 13.963 16.239 -0.792 1.00 72.03 C ATOM 126 O ALA A 9 13.749 15.765 -1.908 1.00 22.14 O ATOM 127 CB ALA A 9 15.809 15.497 0.724 1.00 54.33 C ATOM 0 H ALA A 9 15.826 17.913 1.179 1.00 14.25 H new ATOM 0 HA ALA A 9 16.048 16.434 -1.184 1.00 45.40 H new ATOM 0 HB1 ALA A 9 15.713 14.493 0.312 1.00 54.33 H new ATOM 0 HB2 ALA A 9 16.846 15.675 1.008 1.00 54.33 H new ATOM 0 HB3 ALA A 9 15.171 15.591 1.603 1.00 54.33 H new ATOM 133 N GLU A 10 12.992 16.537 0.066 1.00 73.42 N ATOM 134 CA GLU A 10 11.588 16.316 -0.262 1.00 21.12 C ATOM 135 C GLU A 10 11.091 17.362 -1.255 1.00 34.12 C ATOM 136 O GLU A 10 10.197 17.095 -2.059 1.00 54.01 O ATOM 137 CB GLU A 10 10.732 16.352 1.006 1.00 3.33 C ATOM 138 CG GLU A 10 10.675 15.022 1.739 1.00 12.15 C ATOM 139 CD GLU A 10 9.836 15.089 3.001 1.00 63.30 C ATOM 140 OE1 GLU A 10 8.686 15.568 2.925 1.00 4.30 O ATOM 141 OE2 GLU A 10 10.331 14.659 4.065 1.00 73.33 O ATOM 0 H GLU A 10 13.152 16.932 0.993 1.00 73.42 H new ATOM 0 HA GLU A 10 11.500 15.332 -0.722 1.00 21.12 H new ATOM 0 HB2 GLU A 10 11.127 17.112 1.680 1.00 3.33 H new ATOM 0 HB3 GLU A 10 9.719 16.656 0.742 1.00 3.33 H new ATOM 0 HG2 GLU A 10 10.265 14.262 1.074 1.00 12.15 H new ATOM 0 HG3 GLU A 10 11.687 14.709 1.996 1.00 12.15 H new ATOM 146 N ASP A 11 11.675 18.553 -1.192 1.00 11.42 N ATOM 147 CA ASP A 11 11.292 19.641 -2.085 1.00 22.12 C ATOM 148 C ASP A 11 11.686 19.326 -3.524 1.00 54.02 C ATOM 149 O ASP A 11 10.868 19.426 -4.438 1.00 50.24 O ATOM 150 CB ASP A 11 11.947 20.949 -1.638 1.00 41.34 C ATOM 151 CG ASP A 11 11.092 21.716 -0.648 1.00 41.33 C ATOM 152 OD1 ASP A 11 9.914 21.982 -0.963 1.00 74.42 O ATOM 153 OD2 ASP A 11 11.602 22.051 0.442 1.00 50.11 O ATOM 0 H ASP A 11 12.416 18.790 -0.532 1.00 11.42 H new ATOM 0 HA ASP A 11 10.209 19.752 -2.040 1.00 22.12 H new ATOM 0 HB2 ASP A 11 12.915 20.731 -1.186 1.00 41.34 H new ATOM 0 HB3 ASP A 11 12.136 21.574 -2.511 1.00 41.34 H new ATOM 157 N VAL A 12 12.945 18.945 -3.719 1.00 53.42 N ATOM 158 CA VAL A 12 13.447 18.616 -5.047 1.00 43.45 C ATOM 159 C VAL A 12 13.043 17.203 -5.453 1.00 51.11 C ATOM 160 O VAL A 12 12.917 16.897 -6.637 1.00 51.24 O ATOM 161 CB VAL A 12 14.981 18.738 -5.114 1.00 53.54 C ATOM 162 CG1 VAL A 12 15.422 20.140 -4.720 1.00 10.14 C ATOM 163 CG2 VAL A 12 15.638 17.694 -4.224 1.00 72.13 C ATOM 0 H VAL A 12 13.635 18.857 -2.973 1.00 53.42 H new ATOM 0 HA VAL A 12 13.002 19.331 -5.739 1.00 43.45 H new ATOM 0 HB VAL A 12 15.298 18.558 -6.141 1.00 53.54 H new ATOM 0 HG11 VAL A 12 16.509 20.208 -4.773 1.00 10.14 H new ATOM 0 HG12 VAL A 12 14.979 20.866 -5.402 1.00 10.14 H new ATOM 0 HG13 VAL A 12 15.094 20.352 -3.702 1.00 10.14 H new ATOM 0 HG21 VAL A 12 16.722 17.795 -4.284 1.00 72.13 H new ATOM 0 HG22 VAL A 12 15.316 17.840 -3.193 1.00 72.13 H new ATOM 0 HG23 VAL A 12 15.348 16.697 -4.557 1.00 72.13 H new ATOM 173 N GLY A 13 12.840 16.343 -4.458 1.00 64.34 N ATOM 174 CA GLY A 13 12.451 14.971 -4.732 1.00 3.43 C ATOM 175 C GLY A 13 11.059 14.870 -5.320 1.00 32.41 C ATOM 176 O GLY A 13 10.066 15.085 -4.624 1.00 2.22 O ATOM 0 H GLY A 13 12.938 16.572 -3.469 1.00 64.34 H new ATOM 0 HA2 GLY A 13 13.167 14.525 -5.422 1.00 3.43 H new ATOM 0 HA3 GLY A 13 12.495 14.393 -3.809 1.00 3.43 H new ATOM 180 N SER A 14 10.983 14.542 -6.605 1.00 50.44 N ATOM 181 CA SER A 14 9.700 14.418 -7.289 1.00 62.41 C ATOM 182 C SER A 14 9.453 12.976 -7.721 1.00 51.00 C ATOM 183 O SER A 14 8.793 12.723 -8.728 1.00 13.00 O ATOM 184 CB SER A 14 9.656 15.342 -8.507 1.00 50.24 C ATOM 185 OG SER A 14 10.418 14.812 -9.578 1.00 23.32 O ATOM 0 H SER A 14 11.795 14.357 -7.195 1.00 50.44 H new ATOM 0 HA SER A 14 8.914 14.710 -6.592 1.00 62.41 H new ATOM 0 HB2 SER A 14 8.623 15.480 -8.825 1.00 50.24 H new ATOM 0 HB3 SER A 14 10.040 16.325 -8.235 1.00 50.24 H new ATOM 0 HG SER A 14 10.372 15.421 -10.345 1.00 23.32 H new ATOM 190 N ASN A 15 9.987 12.034 -6.950 1.00 4.25 N ATOM 191 CA ASN A 15 9.825 10.617 -7.253 1.00 25.24 C ATOM 192 C ASN A 15 8.824 9.968 -6.301 1.00 23.21 C ATOM 193 O ASN A 15 8.918 8.778 -5.999 1.00 5.20 O ATOM 194 CB ASN A 15 11.172 9.897 -7.161 1.00 4.20 C ATOM 195 CG ASN A 15 11.971 10.317 -5.942 1.00 71.20 C ATOM 196 OD1 ASN A 15 11.714 9.855 -4.830 1.00 13.15 O ATOM 197 ND2 ASN A 15 12.943 11.197 -6.146 1.00 5.41 N ATOM 0 H ASN A 15 10.535 12.226 -6.112 1.00 4.25 H new ATOM 0 HA ASN A 15 9.442 10.530 -8.270 1.00 25.24 H new ATOM 0 HB2 ASN A 15 11.004 8.821 -7.128 1.00 4.20 H new ATOM 0 HB3 ASN A 15 11.752 10.102 -8.061 1.00 4.20 H new ATOM 0 HD21 ASN A 15 13.513 11.518 -5.363 1.00 5.41 H new ATOM 0 HD22 ASN A 15 13.120 11.553 -7.085 1.00 5.41 H new ATOM 203 N LYS A 16 7.864 10.758 -5.833 1.00 41.20 N ATOM 204 CA LYS A 16 6.844 10.263 -4.918 1.00 32.21 C ATOM 205 C LYS A 16 6.001 9.177 -5.579 1.00 15.03 C ATOM 206 O LYS A 16 5.678 8.164 -4.958 1.00 41.32 O ATOM 207 CB LYS A 16 5.943 11.410 -4.455 1.00 10.52 C ATOM 208 CG LYS A 16 6.711 12.622 -3.955 1.00 74.42 C ATOM 209 CD LYS A 16 5.775 13.702 -3.440 1.00 32.20 C ATOM 210 CE LYS A 16 6.543 14.842 -2.788 1.00 74.30 C ATOM 211 NZ LYS A 16 5.631 15.888 -2.247 1.00 21.50 N ATOM 0 H LYS A 16 7.771 11.745 -6.073 1.00 41.20 H new ATOM 0 HA LYS A 16 7.347 9.833 -4.052 1.00 32.21 H new ATOM 0 HB2 LYS A 16 5.301 11.713 -5.282 1.00 10.52 H new ATOM 0 HB3 LYS A 16 5.290 11.050 -3.660 1.00 10.52 H new ATOM 0 HG2 LYS A 16 7.392 12.320 -3.159 1.00 74.42 H new ATOM 0 HG3 LYS A 16 7.323 13.024 -4.762 1.00 74.42 H new ATOM 0 HD2 LYS A 16 5.177 14.090 -4.265 1.00 32.20 H new ATOM 0 HD3 LYS A 16 5.081 13.270 -2.719 1.00 32.20 H new ATOM 0 HE2 LYS A 16 7.162 14.448 -1.982 1.00 74.30 H new ATOM 0 HE3 LYS A 16 7.217 15.290 -3.518 1.00 74.30 H new ATOM 0 HZ1 LYS A 16 6.193 16.647 -1.811 1.00 21.50 H new ATOM 0 HZ2 LYS A 16 5.057 16.282 -3.020 1.00 21.50 H new ATOM 0 HZ3 LYS A 16 5.005 15.466 -1.532 1.00 21.50 H new ATOM 221 N GLY A 17 5.648 9.394 -6.842 1.00 13.13 N ATOM 222 CA GLY A 17 4.848 8.424 -7.566 1.00 14.11 C ATOM 223 C GLY A 17 5.433 7.027 -7.505 1.00 33.23 C ATOM 224 O GLY A 17 4.711 6.054 -7.294 1.00 71.52 O ATOM 0 H GLY A 17 5.902 10.225 -7.377 1.00 13.13 H new ATOM 0 HA2 GLY A 17 3.839 8.410 -7.154 1.00 14.11 H new ATOM 0 HA3 GLY A 17 4.763 8.733 -8.608 1.00 14.11 H new ATOM 228 N ALA A 18 6.746 6.929 -7.689 1.00 60.44 N ATOM 229 CA ALA A 18 7.428 5.640 -7.653 1.00 52.22 C ATOM 230 C ALA A 18 7.190 4.930 -6.325 1.00 53.24 C ATOM 231 O ALA A 18 6.749 3.781 -6.296 1.00 0.05 O ATOM 232 CB ALA A 18 8.918 5.826 -7.895 1.00 22.22 C ATOM 0 H ALA A 18 7.358 7.726 -7.864 1.00 60.44 H new ATOM 0 HA ALA A 18 7.017 5.016 -8.447 1.00 52.22 H new ATOM 0 HB1 ALA A 18 9.415 4.856 -7.866 1.00 22.22 H new ATOM 0 HB2 ALA A 18 9.074 6.284 -8.872 1.00 22.22 H new ATOM 0 HB3 ALA A 18 9.335 6.471 -7.121 1.00 22.22 H new ATOM 238 N ILE A 19 7.484 5.621 -5.229 1.00 52.11 N ATOM 239 CA ILE A 19 7.301 5.056 -3.898 1.00 55.40 C ATOM 240 C ILE A 19 5.893 4.495 -3.727 1.00 61.25 C ATOM 241 O ILE A 19 5.715 3.363 -3.276 1.00 0.14 O ATOM 242 CB ILE A 19 7.560 6.105 -2.801 1.00 33.33 C ATOM 243 CG1 ILE A 19 8.986 6.646 -2.908 1.00 1.31 C ATOM 244 CG2 ILE A 19 7.318 5.502 -1.424 1.00 3.31 C ATOM 245 CD1 ILE A 19 9.155 8.029 -2.318 1.00 52.02 C ATOM 0 H ILE A 19 7.850 6.573 -5.237 1.00 52.11 H new ATOM 0 HA ILE A 19 8.026 4.248 -3.796 1.00 55.40 H new ATOM 0 HB ILE A 19 6.866 6.934 -2.941 1.00 33.33 H new ATOM 0 HG12 ILE A 19 9.665 5.959 -2.403 1.00 1.31 H new ATOM 0 HG13 ILE A 19 9.279 6.670 -3.958 1.00 1.31 H new ATOM 0 HG21 ILE A 19 7.505 6.255 -0.659 1.00 3.31 H new ATOM 0 HG22 ILE A 19 6.285 5.161 -1.353 1.00 3.31 H new ATOM 0 HG23 ILE A 19 7.990 4.657 -1.273 1.00 3.31 H new ATOM 0 HD11 ILE A 19 10.191 8.348 -2.430 1.00 52.02 H new ATOM 0 HD12 ILE A 19 8.502 8.729 -2.839 1.00 52.02 H new ATOM 0 HD13 ILE A 19 8.894 8.008 -1.260 1.00 52.02 H new ATOM 256 N ILE A 20 4.895 5.293 -4.093 1.00 3.23 N ATOM 257 CA ILE A 20 3.503 4.875 -3.984 1.00 0.45 C ATOM 258 C ILE A 20 3.256 3.582 -4.753 1.00 44.21 C ATOM 259 O ILE A 20 2.754 2.604 -4.200 1.00 2.12 O ATOM 260 CB ILE A 20 2.547 5.962 -4.508 1.00 32.21 C ATOM 261 CG1 ILE A 20 2.734 7.259 -3.719 1.00 55.44 C ATOM 262 CG2 ILE A 20 1.105 5.486 -4.419 1.00 61.41 C ATOM 263 CD1 ILE A 20 2.695 8.502 -4.581 1.00 3.30 C ATOM 0 H ILE A 20 5.025 6.233 -4.468 1.00 3.23 H new ATOM 0 HA ILE A 20 3.305 4.708 -2.925 1.00 0.45 H new ATOM 0 HB ILE A 20 2.781 6.158 -5.554 1.00 32.21 H new ATOM 0 HG12 ILE A 20 1.955 7.329 -2.960 1.00 55.44 H new ATOM 0 HG13 ILE A 20 3.688 7.221 -3.194 1.00 55.44 H new ATOM 0 HG21 ILE A 20 0.441 6.265 -4.793 1.00 61.41 H new ATOM 0 HG22 ILE A 20 0.982 4.585 -5.020 1.00 61.41 H new ATOM 0 HG23 ILE A 20 0.858 5.266 -3.380 1.00 61.41 H new ATOM 0 HD11 ILE A 20 2.834 9.383 -3.955 1.00 3.30 H new ATOM 0 HD12 ILE A 20 3.491 8.455 -5.324 1.00 3.30 H new ATOM 0 HD13 ILE A 20 1.731 8.564 -5.086 1.00 3.30 H new ATOM 274 N GLY A 21 3.614 3.583 -6.034 1.00 51.00 N ATOM 275 CA GLY A 21 3.425 2.405 -6.858 1.00 74.25 C ATOM 276 C GLY A 21 4.196 1.206 -6.343 1.00 30.40 C ATOM 277 O GLY A 21 3.736 0.069 -6.450 1.00 60.32 O ATOM 0 H GLY A 21 4.032 4.380 -6.515 1.00 51.00 H new ATOM 0 HA2 GLY A 21 2.364 2.160 -6.898 1.00 74.25 H new ATOM 0 HA3 GLY A 21 3.740 2.625 -7.878 1.00 74.25 H new ATOM 281 N LEU A 22 5.374 1.459 -5.782 1.00 40.12 N ATOM 282 CA LEU A 22 6.212 0.392 -5.249 1.00 2.23 C ATOM 283 C LEU A 22 5.517 -0.323 -4.095 1.00 5.21 C ATOM 284 O LEU A 22 5.368 -1.544 -4.108 1.00 32.14 O ATOM 285 CB LEU A 22 7.554 0.957 -4.780 1.00 3.02 C ATOM 286 CG LEU A 22 8.753 0.012 -4.881 1.00 44.51 C ATOM 287 CD1 LEU A 22 8.499 -1.258 -4.086 1.00 65.44 C ATOM 288 CD2 LEU A 22 9.052 -0.317 -6.336 1.00 50.44 C ATOM 0 H LEU A 22 5.770 2.394 -5.685 1.00 40.12 H new ATOM 0 HA LEU A 22 6.387 -0.331 -6.046 1.00 2.23 H new ATOM 0 HB2 LEU A 22 7.772 1.852 -5.363 1.00 3.02 H new ATOM 0 HB3 LEU A 22 7.450 1.270 -3.741 1.00 3.02 H new ATOM 0 HG LEU A 22 9.623 0.513 -4.457 1.00 44.51 H new ATOM 0 HD11 LEU A 22 9.362 -1.918 -4.169 1.00 65.44 H new ATOM 0 HD12 LEU A 22 8.336 -1.005 -3.038 1.00 65.44 H new ATOM 0 HD13 LEU A 22 7.617 -1.763 -4.479 1.00 65.44 H new ATOM 0 HD21 LEU A 22 9.908 -0.990 -6.388 1.00 50.44 H new ATOM 0 HD22 LEU A 22 8.184 -0.798 -6.786 1.00 50.44 H new ATOM 0 HD23 LEU A 22 9.279 0.601 -6.877 1.00 50.44 H new ATOM 299 N MET A 23 5.092 0.448 -3.099 1.00 20.11 N ATOM 300 CA MET A 23 4.408 -0.111 -1.938 1.00 65.11 C ATOM 301 C MET A 23 3.053 -0.688 -2.332 1.00 72.03 C ATOM 302 O MET A 23 2.755 -1.849 -2.048 1.00 63.25 O ATOM 303 CB MET A 23 4.226 0.960 -0.861 1.00 44.42 C ATOM 304 CG MET A 23 5.492 1.246 -0.070 1.00 44.53 C ATOM 305 SD MET A 23 5.920 -0.090 1.062 1.00 41.41 S ATOM 306 CE MET A 23 7.487 0.498 1.702 1.00 10.12 C ATOM 0 H MET A 23 5.209 1.461 -3.072 1.00 20.11 H new ATOM 0 HA MET A 23 5.024 -0.916 -1.538 1.00 65.11 H new ATOM 0 HB2 MET A 23 3.885 1.882 -1.331 1.00 44.42 H new ATOM 0 HB3 MET A 23 3.441 0.643 -0.174 1.00 44.42 H new ATOM 0 HG2 MET A 23 6.319 1.410 -0.761 1.00 44.53 H new ATOM 0 HG3 MET A 23 5.362 2.169 0.496 1.00 44.53 H new ATOM 0 HE1 MET A 23 7.881 -0.223 2.418 1.00 10.12 H new ATOM 0 HE2 MET A 23 8.194 0.617 0.881 1.00 10.12 H new ATOM 0 HE3 MET A 23 7.341 1.458 2.197 1.00 10.12 H new ATOM 314 N VAL A 24 2.234 0.129 -2.987 1.00 41.31 N ATOM 315 CA VAL A 24 0.909 -0.301 -3.420 1.00 44.32 C ATOM 316 C VAL A 24 0.996 -1.538 -4.307 1.00 51.52 C ATOM 317 O VAL A 24 0.106 -2.386 -4.296 1.00 74.35 O ATOM 318 CB VAL A 24 0.179 0.818 -4.187 1.00 32.35 C ATOM 319 CG1 VAL A 24 -1.186 0.339 -4.658 1.00 62.51 C ATOM 320 CG2 VAL A 24 0.046 2.059 -3.318 1.00 43.33 C ATOM 0 H VAL A 24 2.465 1.093 -3.230 1.00 41.31 H new ATOM 0 HA VAL A 24 0.344 -0.542 -2.520 1.00 44.32 H new ATOM 0 HB VAL A 24 0.770 1.078 -5.065 1.00 32.35 H new ATOM 0 HG11 VAL A 24 -1.687 1.142 -5.198 1.00 62.51 H new ATOM 0 HG12 VAL A 24 -1.062 -0.520 -5.318 1.00 62.51 H new ATOM 0 HG13 VAL A 24 -1.788 0.050 -3.796 1.00 62.51 H new ATOM 0 HG21 VAL A 24 -0.472 2.840 -3.875 1.00 43.33 H new ATOM 0 HG22 VAL A 24 -0.523 1.816 -2.421 1.00 43.33 H new ATOM 0 HG23 VAL A 24 1.037 2.413 -3.034 1.00 43.33 H new ATOM 330 N GLY A 25 2.077 -1.633 -5.076 1.00 61.35 N ATOM 331 CA GLY A 25 2.261 -2.769 -5.960 1.00 60.34 C ATOM 332 C GLY A 25 2.594 -4.042 -5.206 1.00 11.43 C ATOM 333 O GLY A 25 2.021 -5.098 -5.471 1.00 51.45 O ATOM 0 H GLY A 25 2.828 -0.943 -5.102 1.00 61.35 H new ATOM 0 HA2 GLY A 25 1.353 -2.923 -6.543 1.00 60.34 H new ATOM 0 HA3 GLY A 25 3.061 -2.549 -6.667 1.00 60.34 H new ATOM 337 N GLY A 26 3.527 -3.942 -4.263 1.00 72.34 N ATOM 338 CA GLY A 26 3.921 -5.101 -3.485 1.00 14.12 C ATOM 339 C GLY A 26 2.783 -5.653 -2.649 1.00 22.44 C ATOM 340 O GLY A 26 2.611 -6.868 -2.547 1.00 74.22 O ATOM 0 H GLY A 26 4.016 -3.079 -4.025 1.00 72.34 H new ATOM 0 HA2 GLY A 26 4.285 -5.879 -4.156 1.00 14.12 H new ATOM 0 HA3 GLY A 26 4.750 -4.831 -2.831 1.00 14.12 H new ATOM 344 N VAL A 27 2.005 -4.759 -2.048 1.00 34.32 N ATOM 345 CA VAL A 27 0.877 -5.163 -1.216 1.00 3.03 C ATOM 346 C VAL A 27 -0.237 -5.772 -2.060 1.00 33.34 C ATOM 347 O VAL A 27 -0.685 -6.890 -1.801 1.00 41.04 O ATOM 348 CB VAL A 27 0.311 -3.972 -0.420 1.00 40.23 C ATOM 349 CG1 VAL A 27 -0.716 -4.447 0.596 1.00 63.55 C ATOM 350 CG2 VAL A 27 1.434 -3.206 0.263 1.00 25.22 C ATOM 0 H VAL A 27 2.135 -3.750 -2.121 1.00 34.32 H new ATOM 0 HA VAL A 27 1.251 -5.912 -0.517 1.00 3.03 H new ATOM 0 HB VAL A 27 -0.188 -3.297 -1.116 1.00 40.23 H new ATOM 0 HG11 VAL A 27 -1.104 -3.591 1.148 1.00 63.55 H new ATOM 0 HG12 VAL A 27 -1.535 -4.947 0.079 1.00 63.55 H new ATOM 0 HG13 VAL A 27 -0.246 -5.144 1.290 1.00 63.55 H new ATOM 0 HG21 VAL A 27 1.016 -2.368 0.821 1.00 25.22 H new ATOM 0 HG22 VAL A 27 1.963 -3.869 0.947 1.00 25.22 H new ATOM 0 HG23 VAL A 27 2.128 -2.831 -0.489 1.00 25.22 H new ATOM 360 N VAL A 28 -0.680 -5.031 -3.069 1.00 63.34 N ATOM 361 CA VAL A 28 -1.742 -5.499 -3.953 1.00 35.24 C ATOM 362 C VAL A 28 -1.379 -6.837 -4.587 1.00 23.41 C ATOM 363 O VAL A 28 -2.150 -7.795 -4.521 1.00 21.31 O ATOM 364 CB VAL A 28 -2.036 -4.477 -5.068 1.00 33.44 C ATOM 365 CG1 VAL A 28 -2.960 -5.080 -6.114 1.00 64.43 C ATOM 366 CG2 VAL A 28 -2.635 -3.208 -4.482 1.00 34.42 C ATOM 0 H VAL A 28 -0.321 -4.104 -3.296 1.00 63.34 H new ATOM 0 HA VAL A 28 -2.634 -5.621 -3.339 1.00 35.24 H new ATOM 0 HB VAL A 28 -1.097 -4.216 -5.556 1.00 33.44 H new ATOM 0 HG11 VAL A 28 -3.157 -4.344 -6.894 1.00 64.43 H new ATOM 0 HG12 VAL A 28 -2.487 -5.958 -6.555 1.00 64.43 H new ATOM 0 HG13 VAL A 28 -3.900 -5.371 -5.645 1.00 64.43 H new ATOM 0 HG21 VAL A 28 -2.836 -2.497 -5.283 1.00 34.42 H new ATOM 0 HG22 VAL A 28 -3.566 -3.449 -3.968 1.00 34.42 H new ATOM 0 HG23 VAL A 28 -1.933 -2.767 -3.774 1.00 34.42 H new ATOM 376 N ILE A 29 -0.202 -6.895 -5.200 1.00 40.13 N ATOM 377 CA ILE A 29 0.264 -8.116 -5.846 1.00 33.34 C ATOM 378 C ILE A 29 0.341 -9.269 -4.849 1.00 70.24 C ATOM 379 O ILE A 29 -0.273 -10.317 -5.049 1.00 2.22 O ATOM 380 CB ILE A 29 1.647 -7.919 -6.493 1.00 75.32 C ATOM 381 CG1 ILE A 29 1.552 -6.933 -7.658 1.00 42.23 C ATOM 382 CG2 ILE A 29 2.206 -9.253 -6.963 1.00 44.33 C ATOM 383 CD1 ILE A 29 2.899 -6.524 -8.215 1.00 55.25 C ATOM 0 H ILE A 29 0.447 -6.111 -5.263 1.00 40.13 H new ATOM 0 HA ILE A 29 -0.460 -8.358 -6.624 1.00 33.34 H new ATOM 0 HB ILE A 29 2.326 -7.506 -5.747 1.00 75.32 H new ATOM 0 HG12 ILE A 29 0.959 -7.381 -8.455 1.00 42.23 H new ATOM 0 HG13 ILE A 29 1.019 -6.042 -7.327 1.00 42.23 H new ATOM 0 HG21 ILE A 29 3.184 -9.098 -7.418 1.00 44.33 H new ATOM 0 HG22 ILE A 29 2.305 -9.926 -6.112 1.00 44.33 H new ATOM 0 HG23 ILE A 29 1.530 -9.693 -7.697 1.00 44.33 H new ATOM 0 HD11 ILE A 29 2.755 -5.824 -9.038 1.00 55.25 H new ATOM 0 HD12 ILE A 29 3.487 -6.047 -7.431 1.00 55.25 H new ATOM 0 HD13 ILE A 29 3.426 -7.407 -8.577 1.00 55.25 H new ATOM 394 N ALA A 30 1.097 -9.066 -3.775 1.00 41.32 N ATOM 395 CA ALA A 30 1.251 -10.086 -2.745 1.00 64.15 C ATOM 396 C ALA A 30 -0.106 -10.564 -2.239 1.00 3.42 C ATOM 397 O ALA A 30 -0.370 -11.766 -2.178 1.00 2.35 O ATOM 398 CB ALA A 30 2.089 -9.552 -1.594 1.00 71.14 C ATOM 0 H ALA A 30 1.612 -8.204 -3.596 1.00 41.32 H new ATOM 0 HA ALA A 30 1.765 -10.939 -3.187 1.00 64.15 H new ATOM 0 HB1 ALA A 30 2.196 -10.325 -0.832 1.00 71.14 H new ATOM 0 HB2 ALA A 30 3.075 -9.268 -1.963 1.00 71.14 H new ATOM 0 HB3 ALA A 30 1.598 -8.680 -1.161 1.00 71.14 H new ATOM 404 N THR A 31 -0.964 -9.616 -1.874 1.00 45.44 N ATOM 405 CA THR A 31 -2.292 -9.939 -1.370 1.00 65.55 C ATOM 406 C THR A 31 -3.033 -10.865 -2.329 1.00 63.12 C ATOM 407 O THR A 31 -3.556 -11.903 -1.925 1.00 22.51 O ATOM 408 CB THR A 31 -3.134 -8.669 -1.149 1.00 34.42 C ATOM 409 OG1 THR A 31 -2.496 -7.821 -0.187 1.00 40.15 O ATOM 410 CG2 THR A 31 -4.534 -9.024 -0.671 1.00 41.10 C ATOM 0 H THR A 31 -0.762 -8.617 -1.918 1.00 45.44 H new ATOM 0 HA THR A 31 -2.153 -10.444 -0.414 1.00 65.55 H new ATOM 0 HB THR A 31 -3.215 -8.143 -2.100 1.00 34.42 H new ATOM 0 HG1 THR A 31 -1.665 -7.465 -0.565 1.00 40.15 H new ATOM 0 HG21 THR A 31 -5.110 -8.111 -0.522 1.00 41.10 H new ATOM 0 HG22 THR A 31 -5.027 -9.646 -1.418 1.00 41.10 H new ATOM 0 HG23 THR A 31 -4.470 -9.570 0.270 1.00 41.10 H new ATOM 418 N VAL A 32 -3.073 -10.483 -3.601 1.00 41.24 N ATOM 419 CA VAL A 32 -3.749 -11.280 -4.618 1.00 54.14 C ATOM 420 C VAL A 32 -3.200 -12.702 -4.657 1.00 11.31 C ATOM 421 O VAL A 32 -3.958 -13.671 -4.623 1.00 33.21 O ATOM 422 CB VAL A 32 -3.604 -10.648 -6.015 1.00 10.22 C ATOM 423 CG1 VAL A 32 -4.297 -11.504 -7.064 1.00 51.15 C ATOM 424 CG2 VAL A 32 -4.160 -9.232 -6.019 1.00 41.42 C ATOM 0 H VAL A 32 -2.645 -9.626 -3.952 1.00 41.24 H new ATOM 0 HA VAL A 32 -4.805 -11.308 -4.347 1.00 54.14 H new ATOM 0 HB VAL A 32 -2.544 -10.599 -6.264 1.00 10.22 H new ATOM 0 HG11 VAL A 32 -4.184 -11.041 -8.044 1.00 51.15 H new ATOM 0 HG12 VAL A 32 -3.848 -12.497 -7.078 1.00 51.15 H new ATOM 0 HG13 VAL A 32 -5.357 -11.588 -6.823 1.00 51.15 H new ATOM 0 HG21 VAL A 32 -4.049 -8.800 -7.014 1.00 41.42 H new ATOM 0 HG22 VAL A 32 -5.216 -9.255 -5.749 1.00 41.42 H new ATOM 0 HG23 VAL A 32 -3.614 -8.625 -5.297 1.00 41.42 H new ATOM 434 N ILE A 33 -1.878 -12.818 -4.727 1.00 74.21 N ATOM 435 CA ILE A 33 -1.228 -14.122 -4.769 1.00 14.24 C ATOM 436 C ILE A 33 -1.585 -14.953 -3.541 1.00 50.21 C ATOM 437 O ILE A 33 -1.718 -16.175 -3.622 1.00 43.32 O ATOM 438 CB ILE A 33 0.304 -13.983 -4.852 1.00 63.54 C ATOM 439 CG1 ILE A 33 0.701 -13.230 -6.124 1.00 63.14 C ATOM 440 CG2 ILE A 33 0.962 -15.355 -4.817 1.00 54.03 C ATOM 441 CD1 ILE A 33 0.349 -13.966 -7.398 1.00 21.43 C ATOM 0 H ILE A 33 -1.237 -12.025 -4.756 1.00 74.21 H new ATOM 0 HA ILE A 33 -1.589 -14.627 -5.665 1.00 14.24 H new ATOM 0 HB ILE A 33 0.650 -13.412 -3.990 1.00 63.54 H new ATOM 0 HG12 ILE A 33 0.210 -12.257 -6.129 1.00 63.14 H new ATOM 0 HG13 ILE A 33 1.775 -13.045 -6.106 1.00 63.14 H new ATOM 0 HG21 ILE A 33 2.044 -15.241 -4.876 1.00 54.03 H new ATOM 0 HG22 ILE A 33 0.701 -15.860 -3.887 1.00 54.03 H new ATOM 0 HG23 ILE A 33 0.613 -15.948 -5.662 1.00 54.03 H new ATOM 0 HD11 ILE A 33 0.660 -13.373 -8.258 1.00 21.43 H new ATOM 0 HD12 ILE A 33 0.862 -14.928 -7.416 1.00 21.43 H new ATOM 0 HD13 ILE A 33 -0.728 -14.128 -7.439 1.00 21.43 H new ATOM 452 N VAL A 34 -1.741 -14.283 -2.404 1.00 35.32 N ATOM 453 CA VAL A 34 -2.087 -14.959 -1.159 1.00 65.10 C ATOM 454 C VAL A 34 -3.495 -15.539 -1.221 1.00 74.11 C ATOM 455 O VAL A 34 -3.711 -16.710 -0.905 1.00 3.43 O ATOM 456 CB VAL A 34 -1.989 -14.004 0.044 1.00 73.11 C ATOM 457 CG1 VAL A 34 -2.407 -14.712 1.324 1.00 14.02 C ATOM 458 CG2 VAL A 34 -0.579 -13.447 0.170 1.00 0.22 C ATOM 0 H VAL A 34 -1.633 -13.272 -2.319 1.00 35.32 H new ATOM 0 HA VAL A 34 -1.370 -15.769 -1.029 1.00 65.10 H new ATOM 0 HB VAL A 34 -2.671 -13.170 -0.121 1.00 73.11 H new ATOM 0 HG11 VAL A 34 -2.331 -14.021 2.163 1.00 14.02 H new ATOM 0 HG12 VAL A 34 -3.437 -15.057 1.230 1.00 14.02 H new ATOM 0 HG13 VAL A 34 -1.753 -15.567 1.497 1.00 14.02 H new ATOM 0 HG21 VAL A 34 -0.529 -12.774 1.026 1.00 0.22 H new ATOM 0 HG22 VAL A 34 0.125 -14.267 0.312 1.00 0.22 H new ATOM 0 HG23 VAL A 34 -0.321 -12.900 -0.737 1.00 0.22 H new ATOM 468 N ILE A 35 -4.452 -14.712 -1.631 1.00 64.02 N ATOM 469 CA ILE A 35 -5.841 -15.144 -1.736 1.00 2.15 C ATOM 470 C ILE A 35 -5.987 -16.285 -2.738 1.00 11.34 C ATOM 471 O ILE A 35 -6.756 -17.221 -2.521 1.00 32.03 O ATOM 472 CB ILE A 35 -6.760 -13.983 -2.159 1.00 0.22 C ATOM 473 CG1 ILE A 35 -6.681 -12.844 -1.140 1.00 34.13 C ATOM 474 CG2 ILE A 35 -8.193 -14.470 -2.307 1.00 72.01 C ATOM 475 CD1 ILE A 35 -7.242 -11.536 -1.651 1.00 43.43 C ATOM 0 H ILE A 35 -4.291 -13.740 -1.896 1.00 64.02 H new ATOM 0 HA ILE A 35 -6.140 -15.492 -0.747 1.00 2.15 H new ATOM 0 HB ILE A 35 -6.423 -13.605 -3.124 1.00 0.22 H new ATOM 0 HG12 ILE A 35 -7.222 -13.135 -0.240 1.00 34.13 H new ATOM 0 HG13 ILE A 35 -5.640 -12.696 -0.853 1.00 34.13 H new ATOM 0 HG21 ILE A 35 -8.831 -13.638 -2.606 1.00 72.01 H new ATOM 0 HG22 ILE A 35 -8.235 -15.251 -3.066 1.00 72.01 H new ATOM 0 HG23 ILE A 35 -8.541 -14.870 -1.355 1.00 72.01 H new ATOM 0 HD11 ILE A 35 -7.153 -10.774 -0.876 1.00 43.43 H new ATOM 0 HD12 ILE A 35 -6.686 -11.222 -2.534 1.00 43.43 H new ATOM 0 HD13 ILE A 35 -8.292 -11.668 -1.911 1.00 43.43 H new ATOM 486 N THR A 36 -5.243 -16.200 -3.836 1.00 0.24 N ATOM 487 CA THR A 36 -5.289 -17.226 -4.870 1.00 44.44 C ATOM 488 C THR A 36 -4.737 -18.550 -4.358 1.00 1.15 C ATOM 489 O THR A 36 -5.375 -19.595 -4.493 1.00 12.55 O ATOM 490 CB THR A 36 -4.494 -16.800 -6.119 1.00 2.41 C ATOM 491 OG1 THR A 36 -3.183 -16.366 -5.740 1.00 41.42 O ATOM 492 CG2 THR A 36 -5.209 -15.680 -6.860 1.00 70.35 C ATOM 0 H THR A 36 -4.602 -15.432 -4.032 1.00 0.24 H new ATOM 0 HA THR A 36 -6.337 -17.354 -5.141 1.00 44.44 H new ATOM 0 HB THR A 36 -4.414 -17.661 -6.783 1.00 2.41 H new ATOM 0 HG1 THR A 36 -3.098 -16.397 -4.764 1.00 41.42 H new ATOM 0 HG21 THR A 36 -4.629 -15.396 -7.738 1.00 70.35 H new ATOM 0 HG22 THR A 36 -6.196 -16.022 -7.172 1.00 70.35 H new ATOM 0 HG23 THR A 36 -5.316 -14.818 -6.201 1.00 70.35 H new ATOM 500 N LEU A 37 -3.547 -18.501 -3.768 1.00 42.10 N ATOM 501 CA LEU A 37 -2.908 -19.698 -3.233 1.00 64.33 C ATOM 502 C LEU A 37 -3.763 -20.329 -2.139 1.00 61.44 C ATOM 503 O LEU A 37 -3.959 -21.544 -2.112 1.00 25.14 O ATOM 504 CB LEU A 37 -1.523 -19.358 -2.682 1.00 1.02 C ATOM 505 CG LEU A 37 -0.693 -20.538 -2.176 1.00 32.32 C ATOM 506 CD1 LEU A 37 -0.658 -21.650 -3.212 1.00 44.14 C ATOM 507 CD2 LEU A 37 0.717 -20.088 -1.826 1.00 1.24 C ATOM 0 H LEU A 37 -3.006 -17.645 -3.648 1.00 42.10 H new ATOM 0 HA LEU A 37 -2.802 -20.417 -4.045 1.00 64.33 H new ATOM 0 HB2 LEU A 37 -0.958 -18.851 -3.464 1.00 1.02 H new ATOM 0 HB3 LEU A 37 -1.644 -18.648 -1.864 1.00 1.02 H new ATOM 0 HG LEU A 37 -1.163 -20.926 -1.273 1.00 32.32 H new ATOM 0 HD11 LEU A 37 -0.063 -22.481 -2.834 1.00 44.14 H new ATOM 0 HD12 LEU A 37 -1.673 -21.993 -3.413 1.00 44.14 H new ATOM 0 HD13 LEU A 37 -0.213 -21.275 -4.134 1.00 44.14 H new ATOM 0 HD21 LEU A 37 1.293 -20.941 -1.468 1.00 1.24 H new ATOM 0 HD22 LEU A 37 1.197 -19.673 -2.712 1.00 1.24 H new ATOM 0 HD23 LEU A 37 0.673 -19.327 -1.047 1.00 1.24 H new ATOM 518 N VAL A 38 -4.272 -19.495 -1.239 1.00 11.15 N ATOM 519 CA VAL A 38 -5.109 -19.970 -0.143 1.00 44.32 C ATOM 520 C VAL A 38 -6.429 -20.528 -0.663 1.00 35.22 C ATOM 521 O VAL A 38 -6.801 -21.659 -0.354 1.00 73.31 O ATOM 522 CB VAL A 38 -5.402 -18.846 0.868 1.00 52.25 C ATOM 523 CG1 VAL A 38 -6.340 -19.340 1.959 1.00 55.42 C ATOM 524 CG2 VAL A 38 -4.107 -18.316 1.466 1.00 31.22 C ATOM 0 H VAL A 38 -4.120 -18.486 -1.247 1.00 11.15 H new ATOM 0 HA VAL A 38 -4.554 -20.763 0.358 1.00 44.32 H new ATOM 0 HB VAL A 38 -5.894 -18.028 0.342 1.00 52.25 H new ATOM 0 HG11 VAL A 38 -6.536 -18.532 2.664 1.00 55.42 H new ATOM 0 HG12 VAL A 38 -7.279 -19.666 1.511 1.00 55.42 H new ATOM 0 HG13 VAL A 38 -5.879 -20.176 2.484 1.00 55.42 H new ATOM 0 HG21 VAL A 38 -4.333 -17.522 2.178 1.00 31.22 H new ATOM 0 HG22 VAL A 38 -3.585 -19.125 1.977 1.00 31.22 H new ATOM 0 HG23 VAL A 38 -3.474 -17.921 0.671 1.00 31.22 H new ATOM 534 N MET A 39 -7.134 -19.726 -1.455 1.00 1.23 N ATOM 535 CA MET A 39 -8.413 -20.140 -2.019 1.00 24.31 C ATOM 536 C MET A 39 -8.243 -21.370 -2.907 1.00 1.53 C ATOM 537 O MET A 39 -9.157 -22.185 -3.038 1.00 42.31 O ATOM 538 CB MET A 39 -9.034 -18.998 -2.825 1.00 31.12 C ATOM 539 CG MET A 39 -8.457 -18.858 -4.224 1.00 71.13 C ATOM 540 SD MET A 39 -9.195 -17.495 -5.146 1.00 73.23 S ATOM 541 CE MET A 39 -10.281 -18.387 -6.258 1.00 64.13 C ATOM 0 H MET A 39 -6.841 -18.786 -1.720 1.00 1.23 H new ATOM 0 HA MET A 39 -9.078 -20.397 -1.195 1.00 24.31 H new ATOM 0 HB2 MET A 39 -10.109 -19.159 -2.899 1.00 31.12 H new ATOM 0 HB3 MET A 39 -8.888 -18.062 -2.285 1.00 31.12 H new ATOM 0 HG2 MET A 39 -7.380 -18.704 -4.155 1.00 71.13 H new ATOM 0 HG3 MET A 39 -8.612 -19.788 -4.771 1.00 71.13 H new ATOM 0 HE1 MET A 39 -10.810 -17.679 -6.896 1.00 64.13 H new ATOM 0 HE2 MET A 39 -9.692 -19.063 -6.877 1.00 64.13 H new ATOM 0 HE3 MET A 39 -11.003 -18.962 -5.678 1.00 64.13 H new ATOM 549 N LEU A 40 -7.067 -21.497 -3.514 1.00 30.41 N ATOM 550 CA LEU A 40 -6.777 -22.627 -4.389 1.00 32.50 C ATOM 551 C LEU A 40 -6.706 -23.927 -3.595 1.00 31.23 C ATOM 552 O LEU A 40 -6.950 -25.009 -4.130 1.00 71.03 O ATOM 553 CB LEU A 40 -5.460 -22.398 -5.132 1.00 4.22 C ATOM 554 CG LEU A 40 -4.998 -23.532 -6.047 1.00 34.10 C ATOM 555 CD1 LEU A 40 -4.363 -22.974 -7.310 1.00 42.15 C ATOM 556 CD2 LEU A 40 -4.024 -24.444 -5.317 1.00 73.00 C ATOM 0 H LEU A 40 -6.300 -20.832 -3.416 1.00 30.41 H new ATOM 0 HA LEU A 40 -7.587 -22.709 -5.114 1.00 32.50 H new ATOM 0 HB2 LEU A 40 -5.557 -21.492 -5.730 1.00 4.22 H new ATOM 0 HB3 LEU A 40 -4.678 -22.211 -4.395 1.00 4.22 H new ATOM 0 HG LEU A 40 -5.870 -24.120 -6.333 1.00 34.10 H new ATOM 0 HD11 LEU A 40 -4.040 -23.796 -7.949 1.00 42.15 H new ATOM 0 HD12 LEU A 40 -5.091 -22.364 -7.844 1.00 42.15 H new ATOM 0 HD13 LEU A 40 -3.501 -22.362 -7.044 1.00 42.15 H new ATOM 0 HD21 LEU A 40 -3.706 -25.245 -5.984 1.00 73.00 H new ATOM 0 HD22 LEU A 40 -3.154 -23.868 -5.001 1.00 73.00 H new ATOM 0 HD23 LEU A 40 -4.513 -24.873 -4.442 1.00 73.00 H new