USER MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=7 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 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.27!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.0506 (180deg=-0.777) USER MOD Single : A 23 MET CE :methyl 158:sc= 0 (180deg=-0.038) USER MOD Single : A 31 THR OG1 : rot 65:sc= 1.3 USER MOD Single : A 36 THR OG1 : rot -7:sc=-0.00723 USER MOD Single : A 39 MET CE :methyl -161:sc= -0.0642 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 12.863 -9.788 0.843 1.00 72.31 N ATOM 9 CA SER A 2 13.550 -8.538 1.144 1.00 1.02 C ATOM 10 C SER A 2 12.667 -7.622 1.986 1.00 54.42 C ATOM 11 O SER A 2 11.442 -7.722 1.952 1.00 53.45 O ATOM 12 CB SER A 2 13.952 -7.827 -0.150 1.00 30.45 C ATOM 13 OG SER A 2 15.139 -8.383 -0.690 1.00 53.31 O ATOM 0 HA SER A 2 14.448 -8.775 1.715 1.00 1.02 H new ATOM 0 HB2 SER A 2 13.145 -7.907 -0.878 1.00 30.45 H new ATOM 0 HB3 SER A 2 14.100 -6.765 0.046 1.00 30.45 H new ATOM 0 HG SER A 2 15.374 -7.913 -1.517 1.00 53.31 H new ATOM 18 N GLN A 3 13.301 -6.731 2.742 1.00 4.33 N ATOM 19 CA GLN A 3 12.574 -5.797 3.594 1.00 72.00 C ATOM 20 C GLN A 3 13.527 -4.808 4.255 1.00 11.33 C ATOM 21 O GLN A 3 13.515 -4.636 5.474 1.00 52.24 O ATOM 22 CB GLN A 3 11.788 -6.558 4.663 1.00 53.24 C ATOM 23 CG GLN A 3 12.642 -7.507 5.488 1.00 22.43 C ATOM 24 CD GLN A 3 11.888 -8.103 6.660 1.00 5.23 C ATOM 25 OE1 GLN A 3 11.775 -7.485 7.719 1.00 45.12 O ATOM 26 NE2 GLN A 3 11.367 -9.311 6.477 1.00 5.25 N ATOM 0 H GLN A 3 14.316 -6.636 2.782 1.00 4.33 H new ATOM 0 HA GLN A 3 11.878 -5.239 2.968 1.00 72.00 H new ATOM 0 HB2 GLN A 3 11.310 -5.840 5.330 1.00 53.24 H new ATOM 0 HB3 GLN A 3 10.992 -7.125 4.181 1.00 53.24 H new ATOM 0 HG2 GLN A 3 13.006 -8.311 4.848 1.00 22.43 H new ATOM 0 HG3 GLN A 3 13.517 -6.973 5.858 1.00 22.43 H new ATOM 0 HE21 GLN A 3 11.485 -9.787 5.583 1.00 5.25 H new ATOM 0 HE22 GLN A 3 10.849 -9.763 7.231 1.00 5.25 H new ATOM 33 N LYS A 4 14.355 -4.158 3.442 1.00 74.23 N ATOM 34 CA LYS A 4 15.315 -3.184 3.947 1.00 13.21 C ATOM 35 C LYS A 4 15.203 -1.866 3.187 1.00 13.42 C ATOM 36 O LYS A 4 15.240 -0.789 3.784 1.00 13.53 O ATOM 37 CB LYS A 4 16.739 -3.733 3.829 1.00 34.10 C ATOM 38 CG LYS A 4 16.920 -5.099 4.470 1.00 71.32 C ATOM 39 CD LYS A 4 18.236 -5.738 4.059 1.00 70.21 C ATOM 40 CE LYS A 4 19.425 -4.914 4.526 1.00 45.30 C ATOM 41 NZ LYS A 4 20.682 -5.713 4.542 1.00 53.02 N ATOM 0 H LYS A 4 14.380 -4.289 2.431 1.00 74.23 H new ATOM 0 HA LYS A 4 15.089 -2.999 4.997 1.00 13.21 H new ATOM 0 HB2 LYS A 4 17.008 -3.797 2.775 1.00 34.10 H new ATOM 0 HB3 LYS A 4 17.430 -3.029 4.292 1.00 34.10 H new ATOM 0 HG2 LYS A 4 16.886 -5.000 5.555 1.00 71.32 H new ATOM 0 HG3 LYS A 4 16.094 -5.749 4.183 1.00 71.32 H new ATOM 0 HD2 LYS A 4 18.301 -6.742 4.478 1.00 70.21 H new ATOM 0 HD3 LYS A 4 18.268 -5.843 2.975 1.00 70.21 H new ATOM 0 HE2 LYS A 4 19.550 -4.053 3.869 1.00 45.30 H new ATOM 0 HE3 LYS A 4 19.228 -4.527 5.526 1.00 45.30 H new ATOM 0 HZ1 LYS A 4 21.469 -5.115 4.866 1.00 53.02 H new ATOM 0 HZ2 LYS A 4 20.572 -6.521 5.188 1.00 53.02 H new ATOM 0 HZ3 LYS A 4 20.884 -6.062 3.583 1.00 53.02 H new ATOM 51 N LEU A 5 15.065 -1.958 1.870 1.00 23.51 N ATOM 52 CA LEU A 5 14.945 -0.772 1.029 1.00 41.11 C ATOM 53 C LEU A 5 13.622 -0.057 1.281 1.00 70.13 C ATOM 54 O LEU A 5 13.566 1.172 1.319 1.00 51.21 O ATOM 55 CB LEU A 5 15.057 -1.157 -0.448 1.00 54.21 C ATOM 56 CG LEU A 5 15.233 0.001 -1.432 1.00 54.54 C ATOM 57 CD1 LEU A 5 16.687 0.445 -1.478 1.00 13.01 C ATOM 58 CD2 LEU A 5 14.751 -0.399 -2.818 1.00 33.20 C ATOM 0 H LEU A 5 15.033 -2.841 1.361 1.00 23.51 H new ATOM 0 HA LEU A 5 15.758 -0.092 1.284 1.00 41.11 H new ATOM 0 HB2 LEU A 5 15.902 -1.837 -0.563 1.00 54.21 H new ATOM 0 HB3 LEU A 5 14.161 -1.712 -0.727 1.00 54.21 H new ATOM 0 HG LEU A 5 14.629 0.840 -1.088 1.00 54.54 H new ATOM 0 HD11 LEU A 5 16.794 1.269 -2.183 1.00 13.01 H new ATOM 0 HD12 LEU A 5 16.999 0.773 -0.486 1.00 13.01 H new ATOM 0 HD13 LEU A 5 17.312 -0.389 -1.798 1.00 13.01 H new ATOM 0 HD21 LEU A 5 14.884 0.437 -3.505 1.00 33.20 H new ATOM 0 HD22 LEU A 5 15.328 -1.254 -3.171 1.00 33.20 H new ATOM 0 HD23 LEU A 5 13.695 -0.667 -2.773 1.00 33.20 H new ATOM 69 N VAL A 6 12.558 -0.835 1.454 1.00 62.02 N ATOM 70 CA VAL A 6 11.235 -0.275 1.706 1.00 35.45 C ATOM 71 C VAL A 6 11.255 0.662 2.908 1.00 74.22 C ATOM 72 O VAL A 6 10.563 1.681 2.926 1.00 73.54 O ATOM 73 CB VAL A 6 10.195 -1.385 1.952 1.00 23.54 C ATOM 74 CG1 VAL A 6 8.819 -0.784 2.192 1.00 42.55 C ATOM 75 CG2 VAL A 6 10.164 -2.355 0.780 1.00 21.23 C ATOM 0 H VAL A 6 12.586 -1.854 1.424 1.00 62.02 H new ATOM 0 HA VAL A 6 10.953 0.287 0.816 1.00 35.45 H new ATOM 0 HB VAL A 6 10.485 -1.938 2.845 1.00 23.54 H new ATOM 0 HG11 VAL A 6 8.098 -1.583 2.364 1.00 42.55 H new ATOM 0 HG12 VAL A 6 8.854 -0.133 3.065 1.00 42.55 H new ATOM 0 HG13 VAL A 6 8.518 -0.205 1.319 1.00 42.55 H new ATOM 0 HG21 VAL A 6 9.424 -3.132 0.971 1.00 21.23 H new ATOM 0 HG22 VAL A 6 9.899 -1.817 -0.130 1.00 21.23 H new ATOM 0 HG23 VAL A 6 11.147 -2.811 0.659 1.00 21.23 H new ATOM 85 N PHE A 7 12.053 0.313 3.911 1.00 55.22 N ATOM 86 CA PHE A 7 12.163 1.123 5.119 1.00 63.23 C ATOM 87 C PHE A 7 12.610 2.543 4.782 1.00 72.33 C ATOM 88 O PHE A 7 11.933 3.515 5.119 1.00 30.45 O ATOM 89 CB PHE A 7 13.148 0.485 6.099 1.00 1.12 C ATOM 90 CG PHE A 7 12.512 -0.508 7.029 1.00 23.12 C ATOM 91 CD1 PHE A 7 12.144 -1.765 6.575 1.00 12.53 C ATOM 92 CD2 PHE A 7 12.280 -0.186 8.356 1.00 40.42 C ATOM 93 CE1 PHE A 7 11.558 -2.680 7.428 1.00 60.13 C ATOM 94 CE2 PHE A 7 11.694 -1.097 9.214 1.00 54.34 C ATOM 95 CZ PHE A 7 11.334 -2.346 8.749 1.00 73.22 C ATOM 0 H PHE A 7 12.634 -0.526 3.912 1.00 55.22 H new ATOM 0 HA PHE A 7 11.179 1.171 5.585 1.00 63.23 H new ATOM 0 HB2 PHE A 7 13.938 -0.012 5.536 1.00 1.12 H new ATOM 0 HB3 PHE A 7 13.622 1.270 6.688 1.00 1.12 H new ATOM 0 HD1 PHE A 7 12.317 -2.032 5.543 1.00 12.53 H new ATOM 0 HD2 PHE A 7 12.561 0.789 8.725 1.00 40.42 H new ATOM 0 HE1 PHE A 7 11.275 -3.656 7.062 1.00 60.13 H new ATOM 0 HE2 PHE A 7 11.518 -0.832 10.246 1.00 54.34 H new ATOM 0 HZ PHE A 7 10.878 -3.061 9.418 1.00 73.22 H new ATOM 104 N PHE A 8 13.754 2.653 4.115 1.00 12.34 N ATOM 105 CA PHE A 8 14.294 3.953 3.734 1.00 62.44 C ATOM 106 C PHE A 8 13.396 4.634 2.704 1.00 24.23 C ATOM 107 O PHE A 8 13.275 5.858 2.683 1.00 0.22 O ATOM 108 CB PHE A 8 15.708 3.797 3.171 1.00 41.10 C ATOM 109 CG PHE A 8 16.367 5.103 2.835 1.00 4.31 C ATOM 110 CD1 PHE A 8 17.060 5.814 3.801 1.00 62.33 C ATOM 111 CD2 PHE A 8 16.293 5.622 1.551 1.00 1.10 C ATOM 112 CE1 PHE A 8 17.669 7.017 3.494 1.00 53.05 C ATOM 113 CE2 PHE A 8 16.900 6.824 1.239 1.00 74.32 C ATOM 114 CZ PHE A 8 17.587 7.523 2.212 1.00 31.11 C ATOM 0 H PHE A 8 14.325 1.858 3.827 1.00 12.34 H new ATOM 0 HA PHE A 8 14.333 4.578 4.626 1.00 62.44 H new ATOM 0 HB2 PHE A 8 16.323 3.265 3.897 1.00 41.10 H new ATOM 0 HB3 PHE A 8 15.667 3.179 2.274 1.00 41.10 H new ATOM 0 HD1 PHE A 8 17.125 5.424 4.806 1.00 62.33 H new ATOM 0 HD2 PHE A 8 15.755 5.081 0.786 1.00 1.10 H new ATOM 0 HE1 PHE A 8 18.208 7.560 4.256 1.00 53.05 H new ATOM 0 HE2 PHE A 8 16.837 7.216 0.235 1.00 74.32 H new ATOM 0 HZ PHE A 8 18.059 8.464 1.971 1.00 31.11 H new ATOM 123 N ALA A 9 12.770 3.829 1.850 1.00 0.44 N ATOM 124 CA ALA A 9 11.884 4.353 0.819 1.00 63.24 C ATOM 125 C ALA A 9 10.741 5.154 1.432 1.00 72.45 C ATOM 126 O ALA A 9 10.496 6.297 1.048 1.00 64.01 O ATOM 127 CB ALA A 9 11.337 3.216 -0.033 1.00 40.21 C ATOM 0 H ALA A 9 12.861 2.813 1.853 1.00 0.44 H new ATOM 0 HA ALA A 9 12.462 5.024 0.184 1.00 63.24 H new ATOM 0 HB1 ALA A 9 10.676 3.621 -0.800 1.00 40.21 H new ATOM 0 HB2 ALA A 9 12.163 2.687 -0.508 1.00 40.21 H new ATOM 0 HB3 ALA A 9 10.779 2.524 0.598 1.00 40.21 H new ATOM 133 N GLU A 10 10.044 4.546 2.388 1.00 65.02 N ATOM 134 CA GLU A 10 8.925 5.204 3.052 1.00 3.24 C ATOM 135 C GLU A 10 9.422 6.191 4.105 1.00 53.20 C ATOM 136 O GLU A 10 8.740 7.162 4.431 1.00 54.23 O ATOM 137 CB GLU A 10 8.007 4.167 3.702 1.00 5.32 C ATOM 138 CG GLU A 10 6.966 3.596 2.753 1.00 12.44 C ATOM 139 CD GLU A 10 5.771 4.512 2.578 1.00 5.54 C ATOM 140 OE1 GLU A 10 5.979 5.702 2.260 1.00 44.33 O ATOM 141 OE2 GLU A 10 4.630 4.041 2.758 1.00 60.35 O ATOM 0 H GLU A 10 10.235 3.600 2.719 1.00 65.02 H new ATOM 0 HA GLU A 10 8.362 5.755 2.299 1.00 3.24 H new ATOM 0 HB2 GLU A 10 8.615 3.352 4.095 1.00 5.32 H new ATOM 0 HB3 GLU A 10 7.500 4.625 4.552 1.00 5.32 H new ATOM 0 HG2 GLU A 10 7.426 3.415 1.781 1.00 12.44 H new ATOM 0 HG3 GLU A 10 6.627 2.631 3.130 1.00 12.44 H new ATOM 146 N ASP A 11 10.614 5.933 4.633 1.00 43.11 N ATOM 147 CA ASP A 11 11.203 6.798 5.648 1.00 72.40 C ATOM 148 C ASP A 11 11.501 8.181 5.078 1.00 33.32 C ATOM 149 O ASP A 11 11.238 9.198 5.720 1.00 14.33 O ATOM 150 CB ASP A 11 12.486 6.172 6.198 1.00 14.40 C ATOM 151 CG ASP A 11 13.144 7.037 7.256 1.00 34.34 C ATOM 152 OD1 ASP A 11 12.425 7.812 7.921 1.00 11.23 O ATOM 153 OD2 ASP A 11 14.378 6.937 7.420 1.00 62.40 O ATOM 0 H ASP A 11 11.191 5.132 4.375 1.00 43.11 H new ATOM 0 HA ASP A 11 10.483 6.907 6.459 1.00 72.40 H new ATOM 0 HB2 ASP A 11 12.257 5.195 6.623 1.00 14.40 H new ATOM 0 HB3 ASP A 11 13.187 6.008 5.379 1.00 14.40 H new ATOM 157 N VAL A 12 12.052 8.212 3.869 1.00 32.25 N ATOM 158 CA VAL A 12 12.387 9.469 3.212 1.00 61.13 C ATOM 159 C VAL A 12 12.338 9.327 1.695 1.00 2.34 C ATOM 160 O VAL A 12 13.373 9.240 1.036 1.00 41.44 O ATOM 161 CB VAL A 12 13.785 9.964 3.626 1.00 50.02 C ATOM 162 CG1 VAL A 12 13.754 10.537 5.035 1.00 73.32 C ATOM 163 CG2 VAL A 12 14.801 8.837 3.522 1.00 43.53 C ATOM 0 H VAL A 12 12.276 7.379 3.324 1.00 32.25 H new ATOM 0 HA VAL A 12 11.643 10.200 3.529 1.00 61.13 H new ATOM 0 HB VAL A 12 14.087 10.759 2.944 1.00 50.02 H new ATOM 0 HG11 VAL A 12 14.751 10.882 5.310 1.00 73.32 H new ATOM 0 HG12 VAL A 12 13.058 11.375 5.072 1.00 73.32 H new ATOM 0 HG13 VAL A 12 13.431 9.766 5.734 1.00 73.32 H new ATOM 0 HG21 VAL A 12 15.784 9.204 3.818 1.00 43.53 H new ATOM 0 HG22 VAL A 12 14.506 8.019 4.180 1.00 43.53 H new ATOM 0 HG23 VAL A 12 14.843 8.478 2.493 1.00 43.53 H new ATOM 173 N GLY A 13 11.127 9.304 1.146 1.00 53.35 N ATOM 174 CA GLY A 13 10.966 9.172 -0.290 1.00 14.11 C ATOM 175 C GLY A 13 11.413 10.411 -1.040 1.00 50.32 C ATOM 176 O GLY A 13 11.883 11.375 -0.435 1.00 14.41 O ATOM 0 H GLY A 13 10.255 9.374 1.670 1.00 53.35 H new ATOM 0 HA2 GLY A 13 11.539 8.313 -0.639 1.00 14.11 H new ATOM 0 HA3 GLY A 13 9.919 8.971 -0.518 1.00 14.11 H new ATOM 180 N SER A 14 11.269 10.386 -2.360 1.00 43.12 N ATOM 181 CA SER A 14 11.667 11.514 -3.195 1.00 60.14 C ATOM 182 C SER A 14 10.757 11.637 -4.413 1.00 73.33 C ATOM 183 O SER A 14 9.996 12.595 -4.538 1.00 61.32 O ATOM 184 CB SER A 14 13.121 11.356 -3.644 1.00 43.30 C ATOM 185 OG SER A 14 13.504 12.408 -4.511 1.00 44.30 O ATOM 0 H SER A 14 10.879 9.597 -2.876 1.00 43.12 H new ATOM 0 HA SER A 14 11.574 12.423 -2.601 1.00 60.14 H new ATOM 0 HB2 SER A 14 13.775 11.343 -2.772 1.00 43.30 H new ATOM 0 HB3 SER A 14 13.246 10.399 -4.151 1.00 43.30 H new ATOM 0 HG SER A 14 14.438 12.285 -4.782 1.00 44.30 H new ATOM 190 N ASN A 15 10.843 10.659 -5.309 1.00 73.34 N ATOM 191 CA ASN A 15 10.027 10.657 -6.518 1.00 31.22 C ATOM 192 C ASN A 15 8.542 10.690 -6.173 1.00 60.44 C ATOM 193 O ASN A 15 7.720 11.159 -6.961 1.00 50.00 O ATOM 194 CB ASN A 15 10.339 9.421 -7.365 1.00 71.35 C ATOM 195 CG ASN A 15 9.861 9.566 -8.797 1.00 31.10 C ATOM 196 OD1 ASN A 15 8.713 9.936 -9.045 1.00 4.14 O ATOM 197 ND2 ASN A 15 10.742 9.274 -9.746 1.00 64.22 N ATOM 0 H ASN A 15 11.469 9.858 -5.221 1.00 73.34 H new ATOM 0 HA ASN A 15 10.267 11.553 -7.091 1.00 31.22 H new ATOM 0 HB2 ASN A 15 11.414 9.242 -7.360 1.00 71.35 H new ATOM 0 HB3 ASN A 15 9.869 8.547 -6.915 1.00 71.35 H new ATOM 0 HD21 ASN A 15 10.478 9.352 -10.728 1.00 64.22 H new ATOM 0 HD22 ASN A 15 11.683 8.971 -9.493 1.00 64.22 H new ATOM 203 N LYS A 16 8.203 10.189 -4.990 1.00 13.22 N ATOM 204 CA LYS A 16 6.817 10.162 -4.538 1.00 14.41 C ATOM 205 C LYS A 16 6.011 9.128 -5.316 1.00 62.01 C ATOM 206 O LYS A 16 5.610 8.101 -4.771 1.00 30.31 O ATOM 207 CB LYS A 16 6.182 11.546 -4.695 1.00 61.42 C ATOM 208 CG LYS A 16 7.102 12.687 -4.300 1.00 34.20 C ATOM 209 CD LYS A 16 6.317 13.936 -3.935 1.00 4.14 C ATOM 210 CE LYS A 16 5.948 13.950 -2.460 1.00 45.40 C ATOM 211 NZ LYS A 16 4.611 13.339 -2.216 1.00 45.50 N ATOM 0 H LYS A 16 8.870 9.796 -4.326 1.00 13.22 H new ATOM 0 HA LYS A 16 6.809 9.883 -3.484 1.00 14.41 H new ATOM 0 HB2 LYS A 16 5.876 11.680 -5.733 1.00 61.42 H new ATOM 0 HB3 LYS A 16 5.278 11.593 -4.087 1.00 61.42 H new ATOM 0 HG2 LYS A 16 7.718 12.383 -3.453 1.00 34.20 H new ATOM 0 HG3 LYS A 16 7.780 12.910 -5.123 1.00 34.20 H new ATOM 0 HD2 LYS A 16 6.908 14.821 -4.172 1.00 4.14 H new ATOM 0 HD3 LYS A 16 5.411 13.987 -4.539 1.00 4.14 H new ATOM 0 HE2 LYS A 16 6.704 13.408 -1.891 1.00 45.40 H new ATOM 0 HE3 LYS A 16 5.950 14.977 -2.095 1.00 45.40 H new ATOM 0 HZ1 LYS A 16 4.202 13.735 -1.346 1.00 45.50 H new ATOM 0 HZ2 LYS A 16 3.983 13.545 -3.019 1.00 45.50 H new ATOM 0 HZ3 LYS A 16 4.714 12.309 -2.112 1.00 45.50 H new ATOM 221 N GLY A 17 5.778 9.407 -6.595 1.00 10.12 N ATOM 222 CA GLY A 17 5.022 8.491 -7.429 1.00 72.21 C ATOM 223 C GLY A 17 5.564 7.076 -7.375 1.00 2.03 C ATOM 224 O GLY A 17 4.833 6.134 -7.072 1.00 24.04 O ATOM 0 H GLY A 17 6.099 10.251 -7.068 1.00 10.12 H new ATOM 0 HA2 GLY A 17 3.980 8.490 -7.110 1.00 72.21 H new ATOM 0 HA3 GLY A 17 5.039 8.844 -8.460 1.00 72.21 H new ATOM 228 N ALA A 18 6.852 6.926 -7.673 1.00 54.42 N ATOM 229 CA ALA A 18 7.492 5.617 -7.656 1.00 44.11 C ATOM 230 C ALA A 18 7.261 4.909 -6.326 1.00 4.30 C ATOM 231 O ALA A 18 6.856 3.747 -6.293 1.00 33.32 O ATOM 232 CB ALA A 18 8.982 5.755 -7.933 1.00 15.32 C ATOM 0 H ALA A 18 7.471 7.695 -7.929 1.00 54.42 H new ATOM 0 HA ALA A 18 7.042 5.010 -8.442 1.00 44.11 H new ATOM 0 HB1 ALA A 18 9.448 4.770 -7.917 1.00 15.32 H new ATOM 0 HB2 ALA A 18 9.129 6.211 -8.912 1.00 15.32 H new ATOM 0 HB3 ALA A 18 9.438 6.384 -7.168 1.00 15.32 H new ATOM 238 N ILE A 19 7.522 5.617 -5.232 1.00 70.43 N ATOM 239 CA ILE A 19 7.342 5.054 -3.898 1.00 3.10 C ATOM 240 C ILE A 19 5.932 4.503 -3.720 1.00 61.31 C ATOM 241 O ILE A 19 5.749 3.373 -3.268 1.00 33.42 O ATOM 242 CB ILE A 19 7.613 6.104 -2.804 1.00 2.11 C ATOM 243 CG1 ILE A 19 9.029 6.668 -2.947 1.00 32.22 C ATOM 244 CG2 ILE A 19 7.417 5.493 -1.425 1.00 0.31 C ATOM 245 CD1 ILE A 19 10.110 5.611 -2.876 1.00 54.54 C ATOM 0 H ILE A 19 7.858 6.580 -5.242 1.00 70.43 H new ATOM 0 HA ILE A 19 8.062 4.242 -3.798 1.00 3.10 H new ATOM 0 HB ILE A 19 6.903 6.923 -2.922 1.00 2.11 H new ATOM 0 HG12 ILE A 19 9.108 7.194 -3.899 1.00 32.22 H new ATOM 0 HG13 ILE A 19 9.199 7.404 -2.161 1.00 32.22 H new ATOM 0 HG21 ILE A 19 7.612 6.247 -0.662 1.00 0.31 H new ATOM 0 HG22 ILE A 19 6.392 5.135 -1.328 1.00 0.31 H new ATOM 0 HG23 ILE A 19 8.106 4.659 -1.295 1.00 0.31 H new ATOM 0 HD11 ILE A 19 11.087 6.082 -2.985 1.00 54.54 H new ATOM 0 HD12 ILE A 19 10.058 5.101 -1.914 1.00 54.54 H new ATOM 0 HD13 ILE A 19 9.965 4.888 -3.678 1.00 54.54 H new ATOM 256 N ILE A 20 4.938 5.309 -4.081 1.00 33.31 N ATOM 257 CA ILE A 20 3.543 4.899 -3.962 1.00 4.44 C ATOM 258 C ILE A 20 3.281 3.612 -4.736 1.00 21.04 C ATOM 259 O ILE A 20 2.772 2.637 -4.185 1.00 54.13 O ATOM 260 CB ILE A 20 2.590 5.995 -4.475 1.00 12.21 C ATOM 261 CG1 ILE A 20 2.790 7.287 -3.680 1.00 71.14 C ATOM 262 CG2 ILE A 20 1.146 5.527 -4.381 1.00 62.14 C ATOM 263 CD1 ILE A 20 2.736 8.536 -4.532 1.00 12.35 C ATOM 0 H ILE A 20 5.072 6.247 -4.457 1.00 33.31 H new ATOM 0 HA ILE A 20 3.353 4.729 -2.902 1.00 4.44 H new ATOM 0 HB ILE A 20 2.819 6.195 -5.522 1.00 12.21 H new ATOM 0 HG12 ILE A 20 2.024 7.351 -2.907 1.00 71.14 H new ATOM 0 HG13 ILE A 20 3.753 7.245 -3.171 1.00 71.14 H new ATOM 0 HG21 ILE A 20 0.484 6.312 -4.747 1.00 62.14 H new ATOM 0 HG22 ILE A 20 1.014 4.630 -4.986 1.00 62.14 H new ATOM 0 HG23 ILE A 20 0.903 5.303 -3.342 1.00 62.14 H new ATOM 0 HD11 ILE A 20 2.886 9.413 -3.902 1.00 12.35 H new ATOM 0 HD12 ILE A 20 3.520 8.495 -5.288 1.00 12.35 H new ATOM 0 HD13 ILE A 20 1.764 8.602 -5.020 1.00 12.35 H new ATOM 274 N GLY A 21 3.635 3.614 -6.017 1.00 44.03 N ATOM 275 CA GLY A 21 3.431 2.440 -6.846 1.00 11.42 C ATOM 276 C GLY A 21 4.203 1.235 -6.344 1.00 3.53 C ATOM 277 O GLY A 21 3.738 0.101 -6.456 1.00 11.34 O ATOM 0 H GLY A 21 4.060 4.408 -6.496 1.00 44.03 H new ATOM 0 HA2 GLY A 21 2.368 2.200 -6.876 1.00 11.42 H new ATOM 0 HA3 GLY A 21 3.736 2.663 -7.868 1.00 11.42 H new ATOM 281 N LEU A 22 5.386 1.482 -5.790 1.00 62.35 N ATOM 282 CA LEU A 22 6.225 0.408 -5.271 1.00 54.21 C ATOM 283 C LEU A 22 5.537 -0.311 -4.115 1.00 51.12 C ATOM 284 O LEU A 22 5.383 -1.532 -4.133 1.00 43.40 O ATOM 285 CB LEU A 22 7.573 0.965 -4.809 1.00 24.10 C ATOM 286 CG LEU A 22 8.467 0.000 -4.031 1.00 12.41 C ATOM 287 CD1 LEU A 22 8.657 -1.294 -4.805 1.00 34.44 C ATOM 288 CD2 LEU A 22 9.812 0.645 -3.729 1.00 11.30 C ATOM 0 H LEU A 22 5.785 2.415 -5.689 1.00 62.35 H new ATOM 0 HA LEU A 22 6.391 -0.310 -6.074 1.00 54.21 H new ATOM 0 HB2 LEU A 22 8.121 1.309 -5.686 1.00 24.10 H new ATOM 0 HB3 LEU A 22 7.388 1.840 -4.185 1.00 24.10 H new ATOM 0 HG LEU A 22 7.978 -0.235 -3.085 1.00 12.41 H new ATOM 0 HD11 LEU A 22 9.296 -1.968 -4.235 1.00 34.44 H new ATOM 0 HD12 LEU A 22 7.688 -1.765 -4.970 1.00 34.44 H new ATOM 0 HD13 LEU A 22 9.123 -1.078 -5.766 1.00 34.44 H new ATOM 0 HD21 LEU A 22 10.436 -0.056 -3.175 1.00 11.30 H new ATOM 0 HD22 LEU A 22 10.307 0.910 -4.664 1.00 11.30 H new ATOM 0 HD23 LEU A 22 9.659 1.544 -3.132 1.00 11.30 H new ATOM 299 N MET A 23 5.123 0.456 -3.111 1.00 51.24 N ATOM 300 CA MET A 23 4.447 -0.107 -1.948 1.00 71.50 C ATOM 301 C MET A 23 3.086 -0.680 -2.334 1.00 5.54 C ATOM 302 O MET A 23 2.787 -1.840 -2.053 1.00 21.35 O ATOM 303 CB MET A 23 4.276 0.959 -0.865 1.00 0.42 C ATOM 304 CG MET A 23 5.462 1.059 0.081 1.00 42.31 C ATOM 305 SD MET A 23 5.580 -0.350 1.199 1.00 54.55 S ATOM 306 CE MET A 23 4.534 0.198 2.547 1.00 2.11 C ATOM 0 H MET A 23 5.244 1.468 -3.080 1.00 51.24 H new ATOM 0 HA MET A 23 5.064 -0.916 -1.557 1.00 71.50 H new ATOM 0 HB2 MET A 23 4.119 1.927 -1.341 1.00 0.42 H new ATOM 0 HB3 MET A 23 3.378 0.738 -0.287 1.00 0.42 H new ATOM 0 HG2 MET A 23 6.381 1.134 -0.501 1.00 42.31 H new ATOM 0 HG3 MET A 23 5.379 1.975 0.665 1.00 42.31 H new ATOM 0 HE1 MET A 23 4.188 -0.667 3.113 1.00 2.11 H new ATOM 0 HE2 MET A 23 5.102 0.858 3.203 1.00 2.11 H new ATOM 0 HE3 MET A 23 3.676 0.737 2.146 1.00 2.11 H new ATOM 314 N VAL A 24 2.265 0.144 -2.978 1.00 64.52 N ATOM 315 CA VAL A 24 0.936 -0.281 -3.403 1.00 52.01 C ATOM 316 C VAL A 24 1.012 -1.511 -4.299 1.00 22.34 C ATOM 317 O VAL A 24 0.120 -2.358 -4.287 1.00 22.40 O ATOM 318 CB VAL A 24 0.202 0.844 -4.155 1.00 62.23 C ATOM 319 CG1 VAL A 24 -1.167 0.371 -4.621 1.00 23.41 C ATOM 320 CG2 VAL A 24 0.075 2.080 -3.277 1.00 14.04 C ATOM 0 H VAL A 24 2.496 1.108 -3.217 1.00 64.52 H new ATOM 0 HA VAL A 24 0.379 -0.528 -2.499 1.00 52.01 H new ATOM 0 HB VAL A 24 0.789 1.110 -5.034 1.00 62.23 H new ATOM 0 HG11 VAL A 24 -1.671 1.180 -5.150 1.00 23.41 H new ATOM 0 HG12 VAL A 24 -1.049 -0.482 -5.289 1.00 23.41 H new ATOM 0 HG13 VAL A 24 -1.763 0.076 -3.758 1.00 23.41 H new ATOM 0 HG21 VAL A 24 -0.446 2.864 -3.826 1.00 14.04 H new ATOM 0 HG22 VAL A 24 -0.488 1.831 -2.377 1.00 14.04 H new ATOM 0 HG23 VAL A 24 1.068 2.432 -2.998 1.00 14.04 H new ATOM 330 N GLY A 25 2.087 -1.604 -5.077 1.00 24.22 N ATOM 331 CA GLY A 25 2.261 -2.735 -5.971 1.00 50.23 C ATOM 332 C GLY A 25 2.599 -4.012 -5.228 1.00 23.44 C ATOM 333 O GLY A 25 2.030 -5.067 -5.503 1.00 60.52 O ATOM 0 H GLY A 25 2.840 -0.917 -5.104 1.00 24.22 H new ATOM 0 HA2 GLY A 25 1.347 -2.884 -6.546 1.00 50.23 H new ATOM 0 HA3 GLY A 25 3.054 -2.512 -6.684 1.00 50.23 H new ATOM 337 N GLY A 26 3.531 -3.918 -4.285 1.00 51.13 N ATOM 338 CA GLY A 26 3.929 -5.083 -3.517 1.00 15.43 C ATOM 339 C GLY A 26 2.797 -5.639 -2.676 1.00 2.34 C ATOM 340 O GLY A 26 2.622 -6.854 -2.582 1.00 43.02 O ATOM 0 H GLY A 26 4.018 -3.056 -4.039 1.00 51.13 H new ATOM 0 HA2 GLY A 26 4.287 -5.857 -4.196 1.00 15.43 H new ATOM 0 HA3 GLY A 26 4.763 -4.818 -2.868 1.00 15.43 H new ATOM 344 N VAL A 27 2.026 -4.747 -2.061 1.00 50.01 N ATOM 345 CA VAL A 27 0.905 -5.155 -1.223 1.00 32.21 C ATOM 346 C VAL A 27 -0.220 -5.753 -2.062 1.00 4.34 C ATOM 347 O VAL A 27 -0.667 -6.872 -1.812 1.00 23.23 O ATOM 348 CB VAL A 27 0.350 -3.969 -0.412 1.00 62.30 C ATOM 349 CG1 VAL A 27 -0.668 -4.451 0.611 1.00 64.40 C ATOM 350 CG2 VAL A 27 1.482 -3.212 0.267 1.00 62.32 C ATOM 0 H VAL A 27 2.158 -3.738 -2.128 1.00 50.01 H new ATOM 0 HA VAL A 27 1.283 -5.911 -0.535 1.00 32.21 H new ATOM 0 HB VAL A 27 -0.154 -3.287 -1.097 1.00 62.30 H new ATOM 0 HG11 VAL A 27 -1.049 -3.599 1.174 1.00 64.40 H new ATOM 0 HG12 VAL A 27 -1.493 -4.945 0.098 1.00 64.40 H new ATOM 0 HG13 VAL A 27 -0.192 -5.154 1.294 1.00 64.40 H new ATOM 0 HG21 VAL A 27 1.072 -2.377 0.836 1.00 62.32 H new ATOM 0 HG22 VAL A 27 2.016 -3.883 0.941 1.00 62.32 H new ATOM 0 HG23 VAL A 27 2.171 -2.833 -0.488 1.00 62.32 H new ATOM 360 N VAL A 28 -0.670 -4.999 -3.060 1.00 70.05 N ATOM 361 CA VAL A 28 -1.743 -5.455 -3.938 1.00 14.25 C ATOM 362 C VAL A 28 -1.394 -6.792 -4.581 1.00 30.42 C ATOM 363 O VAL A 28 -2.169 -7.747 -4.511 1.00 42.33 O ATOM 364 CB VAL A 28 -2.035 -4.426 -5.045 1.00 61.14 C ATOM 365 CG1 VAL A 28 -2.967 -5.019 -6.092 1.00 40.23 C ATOM 366 CG2 VAL A 28 -2.628 -3.158 -4.451 1.00 54.23 C ATOM 0 H VAL A 28 -0.309 -4.071 -3.281 1.00 70.05 H new ATOM 0 HA VAL A 28 -2.632 -5.574 -3.319 1.00 14.25 H new ATOM 0 HB VAL A 28 -1.095 -4.167 -5.533 1.00 61.14 H new ATOM 0 HG11 VAL A 28 -3.163 -4.278 -6.867 1.00 40.23 H new ATOM 0 HG12 VAL A 28 -2.500 -5.897 -6.539 1.00 40.23 H new ATOM 0 HG13 VAL A 28 -3.907 -5.308 -5.621 1.00 40.23 H new ATOM 0 HG21 VAL A 28 -2.828 -2.442 -5.248 1.00 54.23 H new ATOM 0 HG22 VAL A 28 -3.559 -3.398 -3.937 1.00 54.23 H new ATOM 0 HG23 VAL A 28 -1.923 -2.724 -3.742 1.00 54.23 H new ATOM 376 N ILE A 29 -0.224 -6.855 -5.206 1.00 11.05 N ATOM 377 CA ILE A 29 0.228 -8.076 -5.861 1.00 20.04 C ATOM 378 C ILE A 29 0.311 -9.233 -4.871 1.00 14.32 C ATOM 379 O ILE A 29 -0.307 -10.278 -5.068 1.00 34.33 O ATOM 380 CB ILE A 29 1.605 -7.884 -6.524 1.00 55.41 C ATOM 381 CG1 ILE A 29 1.496 -6.914 -7.702 1.00 2.15 C ATOM 382 CG2 ILE A 29 2.164 -9.222 -6.982 1.00 34.43 C ATOM 383 CD1 ILE A 29 0.650 -7.439 -8.841 1.00 13.20 C ATOM 0 H ILE A 29 0.429 -6.074 -5.273 1.00 11.05 H new ATOM 0 HA ILE A 29 -0.507 -8.311 -6.631 1.00 20.04 H new ATOM 0 HB ILE A 29 2.290 -7.460 -5.790 1.00 55.41 H new ATOM 0 HG12 ILE A 29 1.073 -5.973 -7.350 1.00 2.15 H new ATOM 0 HG13 ILE A 29 2.496 -6.694 -8.075 1.00 2.15 H new ATOM 0 HG21 ILE A 29 3.137 -9.069 -7.448 1.00 34.43 H new ATOM 0 HG22 ILE A 29 2.273 -9.884 -6.123 1.00 34.43 H new ATOM 0 HG23 ILE A 29 1.483 -9.673 -7.703 1.00 34.43 H new ATOM 0 HD11 ILE A 29 0.617 -6.699 -9.641 1.00 13.20 H new ATOM 0 HD12 ILE A 29 1.084 -8.364 -9.220 1.00 13.20 H new ATOM 0 HD13 ILE A 29 -0.361 -7.632 -8.484 1.00 13.20 H new ATOM 394 N ALA A 30 1.078 -9.036 -3.802 1.00 2.02 N ATOM 395 CA ALA A 30 1.239 -10.060 -2.778 1.00 71.41 C ATOM 396 C ALA A 30 -0.114 -10.544 -2.269 1.00 71.15 C ATOM 397 O ALA A 30 -0.378 -11.746 -2.218 1.00 54.21 O ATOM 398 CB ALA A 30 2.079 -9.529 -1.627 1.00 22.52 C ATOM 0 H ALA A 30 1.597 -8.176 -3.624 1.00 2.02 H new ATOM 0 HA ALA A 30 1.754 -10.909 -3.227 1.00 71.41 H new ATOM 0 HB1 ALA A 30 2.191 -10.305 -0.870 1.00 22.52 H new ATOM 0 HB2 ALA A 30 3.062 -9.239 -1.998 1.00 22.52 H new ATOM 0 HB3 ALA A 30 1.587 -8.661 -1.187 1.00 22.52 H new ATOM 404 N THR A 31 -0.971 -9.601 -1.891 1.00 42.52 N ATOM 405 CA THR A 31 -2.297 -9.930 -1.383 1.00 23.11 C ATOM 406 C THR A 31 -3.042 -10.847 -2.347 1.00 45.22 C ATOM 407 O THR A 31 -3.532 -11.907 -1.958 1.00 24.24 O ATOM 408 CB THR A 31 -3.138 -8.662 -1.144 1.00 53.34 C ATOM 409 OG1 THR A 31 -2.480 -7.809 -0.201 1.00 3.54 O ATOM 410 CG2 THR A 31 -4.524 -9.021 -0.627 1.00 22.54 C ATOM 0 H THR A 31 -0.770 -8.602 -1.927 1.00 42.52 H new ATOM 0 HA THR A 31 -2.153 -10.445 -0.433 1.00 23.11 H new ATOM 0 HB THR A 31 -3.245 -8.140 -2.095 1.00 53.34 H new ATOM 0 HG1 THR A 31 -1.637 -7.487 -0.583 1.00 3.54 H new ATOM 0 HG21 THR A 31 -5.100 -8.109 -0.466 1.00 22.54 H new ATOM 0 HG22 THR A 31 -5.034 -9.648 -1.359 1.00 22.54 H new ATOM 0 HG23 THR A 31 -4.432 -9.563 0.314 1.00 22.54 H new ATOM 418 N VAL A 32 -3.126 -10.430 -3.607 1.00 74.10 N ATOM 419 CA VAL A 32 -3.811 -11.215 -4.627 1.00 60.32 C ATOM 420 C VAL A 32 -3.270 -12.639 -4.680 1.00 74.33 C ATOM 421 O VAL A 32 -4.034 -13.605 -4.652 1.00 54.34 O ATOM 422 CB VAL A 32 -3.668 -10.572 -6.019 1.00 40.11 C ATOM 423 CG1 VAL A 32 -4.381 -11.410 -7.070 1.00 21.21 C ATOM 424 CG2 VAL A 32 -4.206 -9.149 -6.005 1.00 64.22 C ATOM 0 H VAL A 32 -2.728 -9.554 -3.945 1.00 74.10 H new ATOM 0 HA VAL A 32 -4.866 -11.240 -4.352 1.00 60.32 H new ATOM 0 HB VAL A 32 -2.609 -10.534 -6.276 1.00 40.11 H new ATOM 0 HG11 VAL A 32 -4.269 -10.940 -8.047 1.00 21.21 H new ATOM 0 HG12 VAL A 32 -3.946 -12.409 -7.096 1.00 21.21 H new ATOM 0 HG13 VAL A 32 -5.440 -11.482 -6.821 1.00 21.21 H new ATOM 0 HG21 VAL A 32 -4.097 -8.709 -6.996 1.00 64.22 H new ATOM 0 HG22 VAL A 32 -5.260 -9.161 -5.727 1.00 64.22 H new ATOM 0 HG23 VAL A 32 -3.647 -8.556 -5.282 1.00 64.22 H new ATOM 434 N ILE A 33 -1.949 -12.763 -4.756 1.00 70.24 N ATOM 435 CA ILE A 33 -1.307 -14.070 -4.810 1.00 22.21 C ATOM 436 C ILE A 33 -1.652 -14.905 -3.581 1.00 5.42 C ATOM 437 O ILE A 33 -1.839 -16.117 -3.675 1.00 75.35 O ATOM 438 CB ILE A 33 0.225 -13.940 -4.916 1.00 71.22 C ATOM 439 CG1 ILE A 33 0.608 -13.185 -6.190 1.00 61.13 C ATOM 440 CG2 ILE A 33 0.875 -15.315 -4.893 1.00 5.24 C ATOM 441 CD1 ILE A 33 0.234 -13.915 -7.461 1.00 63.30 C ATOM 0 H ILE A 33 -1.303 -11.974 -4.782 1.00 70.24 H new ATOM 0 HA ILE A 33 -1.684 -14.570 -5.702 1.00 22.21 H new ATOM 0 HB ILE A 33 0.587 -13.373 -4.058 1.00 71.22 H new ATOM 0 HG12 ILE A 33 0.122 -12.209 -6.185 1.00 61.13 H new ATOM 0 HG13 ILE A 33 1.683 -13.005 -6.187 1.00 61.13 H new ATOM 0 HG21 ILE A 33 1.957 -15.207 -4.969 1.00 5.24 H new ATOM 0 HG22 ILE A 33 0.625 -15.820 -3.960 1.00 5.24 H new ATOM 0 HG23 ILE A 33 0.509 -15.904 -5.734 1.00 5.24 H new ATOM 0 HD11 ILE A 33 0.535 -13.321 -8.324 1.00 63.30 H new ATOM 0 HD12 ILE A 33 0.741 -14.879 -7.489 1.00 63.30 H new ATOM 0 HD13 ILE A 33 -0.844 -14.071 -7.487 1.00 63.30 H new ATOM 452 N VAL A 34 -1.735 -14.245 -2.430 1.00 24.14 N ATOM 453 CA VAL A 34 -2.059 -14.925 -1.182 1.00 60.24 C ATOM 454 C VAL A 34 -3.481 -15.477 -1.210 1.00 45.34 C ATOM 455 O VAL A 34 -3.713 -16.639 -0.880 1.00 41.12 O ATOM 456 CB VAL A 34 -1.911 -13.982 0.026 1.00 13.50 C ATOM 457 CG1 VAL A 34 -2.308 -14.692 1.311 1.00 35.13 C ATOM 458 CG2 VAL A 34 -0.487 -13.455 0.117 1.00 53.55 C ATOM 0 H VAL A 34 -1.582 -13.241 -2.336 1.00 24.14 H new ATOM 0 HA VAL A 34 -1.354 -15.749 -1.079 1.00 60.24 H new ATOM 0 HB VAL A 34 -2.581 -13.134 -0.113 1.00 13.50 H new ATOM 0 HG11 VAL A 34 -2.197 -14.009 2.153 1.00 35.13 H new ATOM 0 HG12 VAL A 34 -3.346 -15.016 1.242 1.00 35.13 H new ATOM 0 HG13 VAL A 34 -1.666 -15.560 1.460 1.00 35.13 H new ATOM 0 HG21 VAL A 34 -0.399 -12.790 0.976 1.00 53.55 H new ATOM 0 HG22 VAL A 34 0.203 -14.290 0.233 1.00 53.55 H new ATOM 0 HG23 VAL A 34 -0.243 -12.906 -0.793 1.00 53.55 H new ATOM 468 N ILE A 35 -4.428 -14.633 -1.608 1.00 0.11 N ATOM 469 CA ILE A 35 -5.827 -15.036 -1.681 1.00 20.42 C ATOM 470 C ILE A 35 -6.014 -16.201 -2.648 1.00 4.54 C ATOM 471 O ILE A 35 -6.738 -17.154 -2.360 1.00 55.41 O ATOM 472 CB ILE A 35 -6.728 -13.868 -2.122 1.00 3.34 C ATOM 473 CG1 ILE A 35 -6.613 -12.706 -1.134 1.00 73.12 C ATOM 474 CG2 ILE A 35 -8.173 -14.328 -2.243 1.00 34.00 C ATOM 475 CD1 ILE A 35 -7.120 -13.040 0.252 1.00 42.40 C ATOM 0 H ILE A 35 -4.252 -13.667 -1.884 1.00 0.11 H new ATOM 0 HA ILE A 35 -6.117 -15.349 -0.678 1.00 20.42 H new ATOM 0 HB ILE A 35 -6.396 -13.522 -3.101 1.00 3.34 H new ATOM 0 HG12 ILE A 35 -5.569 -12.399 -1.066 1.00 73.12 H new ATOM 0 HG13 ILE A 35 -7.172 -11.854 -1.521 1.00 73.12 H new ATOM 0 HG21 ILE A 35 -8.797 -13.490 -2.556 1.00 34.00 H new ATOM 0 HG22 ILE A 35 -8.240 -15.126 -2.982 1.00 34.00 H new ATOM 0 HG23 ILE A 35 -8.519 -14.698 -1.278 1.00 34.00 H new ATOM 0 HD11 ILE A 35 -7.008 -12.171 0.900 1.00 42.40 H new ATOM 0 HD12 ILE A 35 -8.172 -13.318 0.197 1.00 42.40 H new ATOM 0 HD13 ILE A 35 -6.545 -13.872 0.659 1.00 42.40 H new ATOM 486 N THR A 36 -5.354 -16.117 -3.800 1.00 73.11 N ATOM 487 CA THR A 36 -5.445 -17.163 -4.811 1.00 73.34 C ATOM 488 C THR A 36 -4.901 -18.486 -4.284 1.00 75.34 C ATOM 489 O THR A 36 -5.558 -19.524 -4.382 1.00 54.24 O ATOM 490 CB THR A 36 -4.678 -16.778 -6.089 1.00 60.52 C ATOM 491 OG1 THR A 36 -3.343 -16.381 -5.758 1.00 63.11 O ATOM 492 CG2 THR A 36 -5.384 -15.647 -6.823 1.00 0.55 C ATOM 0 H THR A 36 -4.751 -15.335 -4.055 1.00 73.11 H new ATOM 0 HA THR A 36 -6.502 -17.278 -5.052 1.00 73.34 H new ATOM 0 HB THR A 36 -4.645 -17.649 -6.744 1.00 60.52 H new ATOM 0 HG1 THR A 36 -3.248 -16.334 -4.784 1.00 63.11 H new ATOM 0 HG21 THR A 36 -4.824 -15.392 -7.723 1.00 0.55 H new ATOM 0 HG22 THR A 36 -6.390 -15.964 -7.099 1.00 0.55 H new ATOM 0 HG23 THR A 36 -5.445 -14.774 -6.173 1.00 0.55 H new ATOM 500 N LEU A 37 -3.697 -18.444 -3.724 1.00 72.31 N ATOM 501 CA LEU A 37 -3.063 -19.640 -3.180 1.00 1.11 C ATOM 502 C LEU A 37 -3.936 -20.277 -2.104 1.00 73.44 C ATOM 503 O LEU A 37 -4.195 -21.480 -2.131 1.00 22.21 O ATOM 504 CB LEU A 37 -1.690 -19.296 -2.602 1.00 54.34 C ATOM 505 CG LEU A 37 -0.920 -20.453 -1.965 1.00 55.54 C ATOM 506 CD1 LEU A 37 -0.878 -21.648 -2.904 1.00 4.34 C ATOM 507 CD2 LEU A 37 0.488 -20.015 -1.590 1.00 23.45 C ATOM 0 H LEU A 37 -3.140 -17.594 -3.635 1.00 72.31 H new ATOM 0 HA LEU A 37 -2.938 -20.356 -3.992 1.00 1.11 H new ATOM 0 HB2 LEU A 37 -1.078 -18.874 -3.399 1.00 54.34 H new ATOM 0 HB3 LEU A 37 -1.819 -18.516 -1.852 1.00 54.34 H new ATOM 0 HG LEU A 37 -1.439 -20.752 -1.055 1.00 55.54 H new ATOM 0 HD11 LEU A 37 -0.326 -22.461 -2.433 1.00 4.34 H new ATOM 0 HD12 LEU A 37 -1.895 -21.977 -3.120 1.00 4.34 H new ATOM 0 HD13 LEU A 37 -0.383 -21.364 -3.833 1.00 4.34 H new ATOM 0 HD21 LEU A 37 1.021 -20.851 -1.138 1.00 23.45 H new ATOM 0 HD22 LEU A 37 1.018 -19.688 -2.485 1.00 23.45 H new ATOM 0 HD23 LEU A 37 0.435 -19.191 -0.878 1.00 23.45 H new ATOM 518 N VAL A 38 -4.390 -19.461 -1.157 1.00 23.31 N ATOM 519 CA VAL A 38 -5.237 -19.944 -0.074 1.00 12.23 C ATOM 520 C VAL A 38 -6.467 -20.663 -0.616 1.00 55.51 C ATOM 521 O VAL A 38 -6.746 -21.802 -0.246 1.00 73.20 O ATOM 522 CB VAL A 38 -5.691 -18.791 0.840 1.00 15.45 C ATOM 523 CG1 VAL A 38 -6.652 -19.299 1.905 1.00 25.23 C ATOM 524 CG2 VAL A 38 -4.487 -18.112 1.478 1.00 43.44 C ATOM 0 H VAL A 38 -4.185 -18.463 -1.119 1.00 23.31 H new ATOM 0 HA VAL A 38 -4.638 -20.645 0.508 1.00 12.23 H new ATOM 0 HB VAL A 38 -6.217 -18.054 0.232 1.00 15.45 H new ATOM 0 HG11 VAL A 38 -6.962 -18.470 2.541 1.00 25.23 H new ATOM 0 HG12 VAL A 38 -7.528 -19.736 1.426 1.00 25.23 H new ATOM 0 HG13 VAL A 38 -6.155 -20.056 2.512 1.00 25.23 H new ATOM 0 HG21 VAL A 38 -4.826 -17.299 2.121 1.00 43.44 H new ATOM 0 HG22 VAL A 38 -3.933 -18.838 2.073 1.00 43.44 H new ATOM 0 HG23 VAL A 38 -3.839 -17.712 0.698 1.00 43.44 H new ATOM 534 N MET A 39 -7.199 -19.988 -1.496 1.00 70.14 N ATOM 535 CA MET A 39 -8.401 -20.563 -2.091 1.00 20.23 C ATOM 536 C MET A 39 -8.053 -21.766 -2.961 1.00 33.44 C ATOM 537 O MET A 39 -8.861 -22.683 -3.123 1.00 42.20 O ATOM 538 CB MET A 39 -9.136 -19.512 -2.924 1.00 23.52 C ATOM 539 CG MET A 39 -8.412 -19.139 -4.208 1.00 41.23 C ATOM 540 SD MET A 39 -9.446 -18.184 -5.336 1.00 34.44 S ATOM 541 CE MET A 39 -10.595 -19.443 -5.888 1.00 24.45 C ATOM 0 H MET A 39 -6.982 -19.043 -1.813 1.00 70.14 H new ATOM 0 HA MET A 39 -9.053 -20.897 -1.284 1.00 20.23 H new ATOM 0 HB2 MET A 39 -10.129 -19.886 -3.172 1.00 23.52 H new ATOM 0 HB3 MET A 39 -9.275 -18.615 -2.321 1.00 23.52 H new ATOM 0 HG2 MET A 39 -7.520 -18.563 -3.963 1.00 41.23 H new ATOM 0 HG3 MET A 39 -8.077 -20.047 -4.709 1.00 41.23 H new ATOM 0 HE1 MET A 39 -11.071 -19.121 -6.814 1.00 24.45 H new ATOM 0 HE2 MET A 39 -10.057 -20.375 -6.061 1.00 24.45 H new ATOM 0 HE3 MET A 39 -11.357 -19.600 -5.125 1.00 24.45 H new ATOM 549 N LEU A 40 -6.847 -21.759 -3.519 1.00 22.33 N ATOM 550 CA LEU A 40 -6.393 -22.850 -4.373 1.00 72.21 C ATOM 551 C LEU A 40 -6.594 -24.199 -3.688 1.00 44.13 C ATOM 552 O LEU A 40 -7.144 -25.131 -4.276 1.00 40.52 O ATOM 553 CB LEU A 40 -4.918 -22.664 -4.732 1.00 12.45 C ATOM 554 CG LEU A 40 -4.450 -23.337 -6.022 1.00 33.43 C ATOM 555 CD1 LEU A 40 -4.554 -24.851 -5.902 1.00 12.31 C ATOM 556 CD2 LEU A 40 -5.260 -22.838 -7.209 1.00 30.42 C ATOM 0 H LEU A 40 -6.166 -21.010 -3.395 1.00 22.33 H new ATOM 0 HA LEU A 40 -6.988 -22.834 -5.286 1.00 72.21 H new ATOM 0 HB2 LEU A 40 -4.716 -21.596 -4.809 1.00 12.45 H new ATOM 0 HB3 LEU A 40 -4.314 -23.044 -3.908 1.00 12.45 H new ATOM 0 HG LEU A 40 -3.404 -23.076 -6.186 1.00 33.43 H new ATOM 0 HD11 LEU A 40 -4.217 -25.314 -6.830 1.00 12.31 H new ATOM 0 HD12 LEU A 40 -3.929 -25.194 -5.077 1.00 12.31 H new ATOM 0 HD13 LEU A 40 -5.590 -25.131 -5.713 1.00 12.31 H new ATOM 0 HD21 LEU A 40 -4.913 -23.328 -8.118 1.00 30.42 H new ATOM 0 HD22 LEU A 40 -6.314 -23.068 -7.053 1.00 30.42 H new ATOM 0 HD23 LEU A 40 -5.135 -21.760 -7.308 1.00 30.42 H new