USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 HIS : no HE2:sc= -0.517 K(o=1.6,f=0.11) USER MOD Set 1.2: A 17 CYS SG : rot -54:sc= 0.89 USER MOD Set 1.3: A 69 TYR OH : rot -7:sc= 1.25 USER MOD Set 2.1: A 37 SER OG : rot 152:sc= 0.69 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0.616 USER MOD Set 3.1: A 3 SER OG : rot -115:sc= 0.923 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.0621 USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.755 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -161:sc= -0.99 (180deg=-1.39) USER MOD Single : A 14 CYS SG : rot 34:sc= 0.00619 USER MOD Single : A 15 LYS NZ :NH3+ -132:sc= 0.822 (180deg=-0.844!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0564 F(o=-0.67,f=-0.056) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 85:sc= -0.0541 USER MOD Single : A 26 SER OG : rot -48:sc= 0.839 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -23:sc= 0.236 USER MOD Single : A 33 SER OG : rot 65:sc= 1.23 USER MOD Single : A 40 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.068) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= 1.2 (180deg=1.15) USER MOD Single : A 65 SER OG : rot 115:sc= 1.08 USER MOD Single : A 72 SER OG : rot 63:sc= 0.287 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00194 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -11.405 -11.931 -5.797 1.00 0.00 N ATOM 16 CA ASP A 2 -10.386 -10.960 -5.419 1.00 0.00 C ATOM 17 C ASP A 2 -10.558 -9.595 -6.118 1.00 0.00 C ATOM 18 O ASP A 2 -11.219 -9.456 -7.147 1.00 0.00 O ATOM 19 CB ASP A 2 -8.990 -11.561 -5.683 1.00 0.00 C ATOM 20 CG ASP A 2 -8.762 -12.032 -7.131 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.544 -12.905 -7.586 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.792 -11.545 -7.750 1.00 0.00 O ATOM 0 HA ASP A 2 -10.500 -10.754 -4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.234 -10.816 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.839 -12.406 -5.011 1.00 0.00 H new ATOM 27 N SER A 3 -9.931 -8.579 -5.532 1.00 0.00 N ATOM 28 CA SER A 3 -9.747 -7.234 -6.076 1.00 0.00 C ATOM 29 C SER A 3 -8.313 -6.769 -5.790 1.00 0.00 C ATOM 30 O SER A 3 -7.543 -7.436 -5.094 1.00 0.00 O ATOM 31 CB SER A 3 -10.772 -6.266 -5.471 1.00 0.00 C ATOM 32 OG SER A 3 -10.742 -4.983 -6.084 1.00 0.00 O ATOM 0 H SER A 3 -9.511 -8.677 -4.608 1.00 0.00 H new ATOM 0 HA SER A 3 -9.906 -7.250 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.771 -6.690 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.579 -6.159 -4.404 1.00 0.00 H new ATOM 0 HG SER A 3 -10.457 -4.313 -5.428 1.00 0.00 H new ATOM 38 N THR A 4 -7.916 -5.620 -6.335 1.00 0.00 N ATOM 39 CA THR A 4 -6.522 -5.156 -6.347 1.00 0.00 C ATOM 40 C THR A 4 -6.465 -3.666 -6.621 1.00 0.00 C ATOM 41 O THR A 4 -7.383 -3.087 -7.200 1.00 0.00 O ATOM 42 CB THR A 4 -5.704 -5.984 -7.361 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.377 -7.178 -6.718 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.366 -5.406 -7.836 1.00 0.00 C ATOM 0 H THR A 4 -8.561 -4.973 -6.789 1.00 0.00 H new ATOM 0 HA THR A 4 -6.071 -5.310 -5.367 1.00 0.00 H new ATOM 0 HB THR A 4 -6.337 -6.047 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.015 -7.344 -5.993 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.903 -6.094 -8.544 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.537 -4.445 -8.322 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.705 -5.267 -6.980 1.00 0.00 H new ATOM 52 N ALA A 5 -5.367 -3.052 -6.185 1.00 0.00 N ATOM 53 CA ALA A 5 -4.978 -1.686 -6.507 1.00 0.00 C ATOM 54 C ALA A 5 -3.461 -1.486 -6.329 1.00 0.00 C ATOM 55 O ALA A 5 -2.800 -2.259 -5.619 1.00 0.00 O ATOM 56 CB ALA A 5 -5.782 -0.723 -5.632 1.00 0.00 C ATOM 0 H ALA A 5 -4.697 -3.515 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.199 -1.480 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.498 0.303 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.846 -0.858 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.575 -0.927 -4.581 1.00 0.00 H new ATOM 62 N THR A 6 -2.923 -0.430 -6.954 1.00 0.00 N ATOM 63 CA THR A 6 -1.501 -0.059 -6.918 1.00 0.00 C ATOM 64 C THR A 6 -1.344 1.367 -6.423 1.00 0.00 C ATOM 65 O THR A 6 -2.125 2.248 -6.779 1.00 0.00 O ATOM 66 CB THR A 6 -0.869 -0.177 -8.305 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.093 -1.475 -8.804 1.00 0.00 O ATOM 68 CG2 THR A 6 0.637 0.078 -8.265 1.00 0.00 C ATOM 0 H THR A 6 -3.483 0.210 -7.517 1.00 0.00 H new ATOM 0 HA THR A 6 -0.995 -0.744 -6.238 1.00 0.00 H new ATOM 0 HB THR A 6 -1.327 0.575 -8.948 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.692 -1.557 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.049 -0.015 -9.270 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.826 1.083 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.112 -0.652 -7.609 1.00 0.00 H new ATOM 76 N PHE A 7 -0.305 1.588 -5.622 1.00 0.00 N ATOM 77 CA PHE A 7 -0.069 2.823 -4.886 1.00 0.00 C ATOM 78 C PHE A 7 1.419 3.187 -4.856 1.00 0.00 C ATOM 79 O PHE A 7 2.292 2.324 -4.745 1.00 0.00 O ATOM 80 CB PHE A 7 -0.577 2.671 -3.448 1.00 0.00 C ATOM 81 CG PHE A 7 -2.014 2.183 -3.315 1.00 0.00 C ATOM 82 CD1 PHE A 7 -3.085 3.104 -3.295 1.00 0.00 C ATOM 83 CD2 PHE A 7 -2.300 0.801 -3.275 1.00 0.00 C ATOM 84 CE1 PHE A 7 -4.409 2.637 -3.270 1.00 0.00 C ATOM 85 CE2 PHE A 7 -3.621 0.345 -3.240 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.679 1.264 -3.242 1.00 0.00 C ATOM 0 H PHE A 7 0.419 0.887 -5.463 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.607 3.622 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.076 1.976 -2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.489 3.634 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.886 4.165 -3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.489 0.088 -3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.226 3.343 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.826 -0.715 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.700 0.914 -3.222 1.00 0.00 H new ATOM 96 N ILE A 8 1.724 4.481 -4.894 1.00 0.00 N ATOM 97 CA ILE A 8 3.080 5.007 -4.922 1.00 0.00 C ATOM 98 C ILE A 8 3.264 6.161 -3.941 1.00 0.00 C ATOM 99 O ILE A 8 2.488 7.118 -3.924 1.00 0.00 O ATOM 100 CB ILE A 8 3.467 5.313 -6.383 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.983 5.548 -6.424 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.703 6.484 -7.006 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.600 5.420 -7.817 1.00 0.00 C ATOM 0 H ILE A 8 1.012 5.211 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 8 3.787 4.259 -4.562 1.00 0.00 H new ATOM 0 HB ILE A 8 3.184 4.456 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.196 6.544 -6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.468 4.835 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.036 6.631 -8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.635 6.267 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.893 7.390 -6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.673 5.601 -7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.422 4.416 -8.203 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.145 6.152 -8.485 1.00 0.00 H new ATOM 115 N ILE A 9 4.293 6.000 -3.109 1.00 0.00 N ATOM 116 CA ILE A 9 4.574 6.784 -1.924 1.00 0.00 C ATOM 117 C ILE A 9 5.724 7.758 -2.158 1.00 0.00 C ATOM 118 O ILE A 9 6.896 7.394 -2.075 1.00 0.00 O ATOM 119 CB ILE A 9 4.906 5.906 -0.702 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.932 4.740 -0.430 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.934 6.855 0.517 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.105 3.473 -1.263 1.00 0.00 C ATOM 0 H ILE A 9 4.991 5.272 -3.261 1.00 0.00 H new ATOM 0 HA ILE A 9 3.661 7.340 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 9 5.858 5.413 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.019 4.467 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.917 5.107 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.166 6.285 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.696 7.619 0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.960 7.331 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.356 2.738 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.982 3.712 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.101 3.062 -1.098 1.00 0.00 H new ATOM 134 N ASP A 10 5.404 9.022 -2.368 1.00 0.00 N ATOM 135 CA ASP A 10 6.363 10.064 -2.723 1.00 0.00 C ATOM 136 C ASP A 10 7.123 10.649 -1.508 1.00 0.00 C ATOM 137 O ASP A 10 7.311 11.859 -1.387 1.00 0.00 O ATOM 138 CB ASP A 10 5.621 11.087 -3.590 1.00 0.00 C ATOM 139 CG ASP A 10 6.551 11.769 -4.583 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.305 11.037 -5.270 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.469 13.015 -4.674 1.00 0.00 O ATOM 0 H ASP A 10 4.446 9.366 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 10 7.183 9.645 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.815 10.589 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.159 11.839 -2.950 1.00 0.00 H new ATOM 146 N GLY A 11 7.542 9.753 -0.602 1.00 0.00 N ATOM 147 CA GLY A 11 8.291 10.047 0.629 1.00 0.00 C ATOM 148 C GLY A 11 8.835 8.850 1.432 1.00 0.00 C ATOM 149 O GLY A 11 9.380 9.061 2.512 1.00 0.00 O ATOM 0 H GLY A 11 7.359 8.756 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.133 10.687 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.644 10.627 1.287 1.00 0.00 H new ATOM 153 N MET A 12 8.690 7.594 0.976 1.00 0.00 N ATOM 154 CA MET A 12 9.039 6.427 1.818 1.00 0.00 C ATOM 155 C MET A 12 10.554 6.181 1.941 1.00 0.00 C ATOM 156 O MET A 12 11.293 6.302 0.968 1.00 0.00 O ATOM 157 CB MET A 12 8.287 5.170 1.347 1.00 0.00 C ATOM 158 CG MET A 12 8.936 4.409 0.194 1.00 0.00 C ATOM 159 SD MET A 12 7.862 3.126 -0.478 1.00 0.00 S ATOM 160 CE MET A 12 9.078 1.833 -0.798 1.00 0.00 C ATOM 0 H MET A 12 8.340 7.358 0.047 1.00 0.00 H new ATOM 0 HA MET A 12 8.709 6.667 2.829 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.183 4.492 2.194 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.281 5.461 1.046 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.198 5.110 -0.598 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.865 3.956 0.539 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.667 1.115 -1.508 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.982 2.278 -1.214 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.321 1.323 0.134 1.00 0.00 H new ATOM 170 N HIS A 13 11.005 5.704 3.107 1.00 0.00 N ATOM 171 CA HIS A 13 12.396 5.312 3.423 1.00 0.00 C ATOM 172 C HIS A 13 12.927 4.075 2.635 1.00 0.00 C ATOM 173 O HIS A 13 13.750 3.307 3.142 1.00 0.00 O ATOM 174 CB HIS A 13 12.535 5.032 4.934 1.00 0.00 C ATOM 175 CG HIS A 13 12.036 6.053 5.936 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.089 5.893 7.304 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.455 7.274 5.708 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.550 6.977 7.881 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.153 7.845 6.946 1.00 0.00 N ATOM 0 H HIS A 13 10.381 5.571 3.903 1.00 0.00 H new ATOM 0 HA HIS A 13 13.006 6.160 3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.019 4.094 5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.593 4.865 5.138 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.474 5.086 7.795 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.265 7.716 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.451 7.127 8.946 1.00 0.00 H new ATOM 187 N CYS A 14 12.408 3.816 1.431 1.00 0.00 N ATOM 188 CA CYS A 14 12.866 2.774 0.504 1.00 0.00 C ATOM 189 C CYS A 14 12.903 1.398 1.196 1.00 0.00 C ATOM 190 O CYS A 14 11.903 1.028 1.810 1.00 0.00 O ATOM 191 CB CYS A 14 14.169 3.246 -0.161 1.00 0.00 C ATOM 192 SG CYS A 14 13.837 4.758 -1.116 1.00 0.00 S ATOM 0 H CYS A 14 11.623 4.350 1.059 1.00 0.00 H new ATOM 0 HA CYS A 14 12.161 2.618 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.929 3.439 0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.561 2.467 -0.815 1.00 0.00 H new ATOM 0 HG CYS A 14 12.925 5.461 -0.513 1.00 0.00 H new ATOM 198 N LYS A 15 14.004 0.641 1.121 1.00 0.00 N ATOM 199 CA LYS A 15 14.100 -0.768 1.554 1.00 0.00 C ATOM 200 C LYS A 15 13.616 -1.044 2.995 1.00 0.00 C ATOM 201 O LYS A 15 13.032 -2.092 3.249 1.00 0.00 O ATOM 202 CB LYS A 15 15.550 -1.265 1.364 1.00 0.00 C ATOM 203 CG LYS A 15 15.868 -1.741 -0.065 1.00 0.00 C ATOM 204 CD LYS A 15 15.984 -0.618 -1.110 1.00 0.00 C ATOM 205 CE LYS A 15 16.231 -1.127 -2.535 1.00 0.00 C ATOM 206 NZ LYS A 15 17.503 -1.855 -2.734 1.00 0.00 N ATOM 0 H LYS A 15 14.883 0.998 0.746 1.00 0.00 H new ATOM 0 HA LYS A 15 13.411 -1.325 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.236 -0.461 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.736 -2.084 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.804 -2.299 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.090 -2.435 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.068 -0.027 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.798 0.049 -0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.408 -1.784 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.208 -0.276 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.985 -1.488 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.113 -1.722 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.307 -2.868 -2.860 1.00 0.00 H new ATOM 220 N SER A 16 13.768 -0.109 3.932 1.00 0.00 N ATOM 221 CA SER A 16 13.200 -0.284 5.282 1.00 0.00 C ATOM 222 C SER A 16 11.733 0.141 5.377 1.00 0.00 C ATOM 223 O SER A 16 11.005 -0.415 6.193 1.00 0.00 O ATOM 224 CB SER A 16 13.988 0.497 6.336 1.00 0.00 C ATOM 225 OG SER A 16 15.382 0.236 6.249 1.00 0.00 O ATOM 0 H SER A 16 14.271 0.767 3.792 1.00 0.00 H new ATOM 0 HA SER A 16 13.269 -1.354 5.476 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.809 1.564 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.629 0.231 7.330 1.00 0.00 H new ATOM 0 HG SER A 16 15.855 0.752 6.935 1.00 0.00 H new ATOM 231 N CYS A 17 11.263 1.097 4.560 1.00 0.00 N ATOM 232 CA CYS A 17 9.842 1.387 4.463 1.00 0.00 C ATOM 233 C CYS A 17 9.087 0.263 3.752 1.00 0.00 C ATOM 234 O CYS A 17 8.039 -0.110 4.255 1.00 0.00 O ATOM 235 CB CYS A 17 9.680 2.774 3.841 1.00 0.00 C ATOM 236 SG CYS A 17 9.352 3.957 5.185 1.00 0.00 S ATOM 0 H CYS A 17 11.853 1.676 3.962 1.00 0.00 H new ATOM 0 HA CYS A 17 9.379 1.420 5.449 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.582 3.055 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.860 2.776 3.123 1.00 0.00 H new ATOM 0 HG CYS A 17 8.337 3.547 5.886 1.00 0.00 H new ATOM 242 N VAL A 18 9.641 -0.308 2.679 1.00 0.00 N ATOM 243 CA VAL A 18 9.121 -1.470 1.930 1.00 0.00 C ATOM 244 C VAL A 18 8.550 -2.533 2.886 1.00 0.00 C ATOM 245 O VAL A 18 7.359 -2.832 2.818 1.00 0.00 O ATOM 246 CB VAL A 18 10.253 -2.051 1.024 1.00 0.00 C ATOM 247 CG1 VAL A 18 10.081 -3.477 0.505 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.486 -1.184 -0.221 1.00 0.00 C ATOM 0 H VAL A 18 10.513 0.043 2.282 1.00 0.00 H new ATOM 0 HA VAL A 18 8.298 -1.149 1.291 1.00 0.00 H new ATOM 0 HB VAL A 18 11.091 -2.055 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.940 -3.747 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.007 -4.164 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.173 -3.539 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.281 -1.621 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.569 -1.136 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.774 -0.178 0.085 1.00 0.00 H new ATOM 258 N SER A 19 9.361 -2.983 3.850 1.00 0.00 N ATOM 259 CA SER A 19 8.977 -3.976 4.867 1.00 0.00 C ATOM 260 C SER A 19 7.812 -3.524 5.767 1.00 0.00 C ATOM 261 O SER A 19 6.866 -4.283 6.001 1.00 0.00 O ATOM 262 CB SER A 19 10.233 -4.286 5.697 1.00 0.00 C ATOM 263 OG SER A 19 10.034 -5.347 6.613 1.00 0.00 O ATOM 0 H SER A 19 10.324 -2.662 3.949 1.00 0.00 H new ATOM 0 HA SER A 19 8.603 -4.867 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.054 -4.540 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.533 -3.391 6.243 1.00 0.00 H new ATOM 0 HG SER A 19 10.861 -5.506 7.114 1.00 0.00 H new ATOM 269 N ASN A 20 7.790 -2.261 6.210 1.00 0.00 N ATOM 270 CA ASN A 20 6.609 -1.735 6.911 1.00 0.00 C ATOM 271 C ASN A 20 5.348 -1.757 6.051 1.00 0.00 C ATOM 272 O ASN A 20 4.259 -2.002 6.566 1.00 0.00 O ATOM 273 CB ASN A 20 6.825 -0.289 7.324 1.00 0.00 C ATOM 274 CG ASN A 20 7.996 -0.145 8.262 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.837 0.814 7.964 1.00 0.00 O flip ATOM 276 ND2 ASN A 20 8.198 -0.897 9.201 1.00 0.00 N flip ATOM 0 H ASN A 20 8.556 -1.597 6.100 1.00 0.00 H new ATOM 0 HA ASN A 20 6.475 -2.387 7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.993 0.322 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.924 0.090 7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.529 -1.637 9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.036 -0.786 9.772 1.00 0.00 H new ATOM 283 N ILE A 21 5.477 -1.456 4.753 1.00 0.00 N ATOM 284 CA ILE A 21 4.315 -1.381 3.862 1.00 0.00 C ATOM 285 C ILE A 21 3.741 -2.779 3.623 1.00 0.00 C ATOM 286 O ILE A 21 2.522 -2.910 3.622 1.00 0.00 O ATOM 287 CB ILE A 21 4.586 -0.608 2.549 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.615 0.550 2.706 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.213 -0.151 2.006 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.413 1.763 1.794 1.00 0.00 C ATOM 0 H ILE A 21 6.370 -1.262 4.299 1.00 0.00 H new ATOM 0 HA ILE A 21 3.557 -0.785 4.370 1.00 0.00 H new ATOM 0 HB ILE A 21 5.073 -1.261 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.591 0.892 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.612 0.149 2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.355 0.401 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.587 -1.024 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.727 0.493 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.189 2.502 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.472 1.449 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.434 2.203 1.985 1.00 0.00 H new ATOM 302 N GLU A 22 4.587 -3.810 3.528 1.00 0.00 N ATOM 303 CA GLU A 22 4.183 -5.218 3.542 1.00 0.00 C ATOM 304 C GLU A 22 3.361 -5.508 4.807 1.00 0.00 C ATOM 305 O GLU A 22 2.220 -5.954 4.725 1.00 0.00 O ATOM 306 CB GLU A 22 5.440 -6.113 3.491 1.00 0.00 C ATOM 307 CG GLU A 22 6.066 -6.161 2.099 1.00 0.00 C ATOM 308 CD GLU A 22 7.471 -6.781 2.116 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.434 -6.045 2.428 1.00 0.00 O ATOM 310 OE2 GLU A 22 7.570 -7.988 1.813 1.00 0.00 O ATOM 0 H GLU A 22 5.595 -3.685 3.437 1.00 0.00 H new ATOM 0 HA GLU A 22 3.564 -5.433 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.176 -5.742 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.176 -7.124 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.424 -6.738 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.121 -5.151 1.692 1.00 0.00 H new ATOM 317 N SER A 23 3.915 -5.213 5.982 1.00 0.00 N ATOM 318 CA SER A 23 3.304 -5.573 7.267 1.00 0.00 C ATOM 319 C SER A 23 1.999 -4.833 7.591 1.00 0.00 C ATOM 320 O SER A 23 0.979 -5.465 7.880 1.00 0.00 O ATOM 321 CB SER A 23 4.362 -5.333 8.349 1.00 0.00 C ATOM 322 OG SER A 23 3.938 -5.787 9.619 1.00 0.00 O ATOM 0 H SER A 23 4.802 -4.717 6.073 1.00 0.00 H new ATOM 0 HA SER A 23 3.001 -6.619 7.218 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.285 -5.843 8.072 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.590 -4.268 8.403 1.00 0.00 H new ATOM 0 HG SER A 23 4.642 -5.617 10.279 1.00 0.00 H new ATOM 328 N THR A 24 2.021 -3.494 7.535 1.00 0.00 N ATOM 329 CA THR A 24 0.897 -2.617 7.903 1.00 0.00 C ATOM 330 C THR A 24 -0.308 -2.863 7.015 1.00 0.00 C ATOM 331 O THR A 24 -1.439 -2.836 7.493 1.00 0.00 O ATOM 332 CB THR A 24 1.345 -1.144 7.872 1.00 0.00 C ATOM 333 OG1 THR A 24 2.334 -0.995 8.863 1.00 0.00 O ATOM 334 CG2 THR A 24 0.218 -0.167 8.213 1.00 0.00 C ATOM 0 H THR A 24 2.843 -2.976 7.224 1.00 0.00 H new ATOM 0 HA THR A 24 0.588 -2.854 8.921 1.00 0.00 H new ATOM 0 HB THR A 24 1.691 -0.918 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.207 -1.247 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.597 0.854 8.174 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.592 -0.281 7.493 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.155 -0.377 9.215 1.00 0.00 H new ATOM 342 N LEU A 25 -0.073 -3.103 5.725 1.00 0.00 N ATOM 343 CA LEU A 25 -1.127 -3.472 4.790 1.00 0.00 C ATOM 344 C LEU A 25 -1.561 -4.918 4.956 1.00 0.00 C ATOM 345 O LEU A 25 -2.755 -5.140 5.087 1.00 0.00 O ATOM 346 CB LEU A 25 -0.698 -3.190 3.350 1.00 0.00 C ATOM 347 CG LEU A 25 -0.689 -1.706 2.912 1.00 0.00 C ATOM 348 CD1 LEU A 25 -2.050 -1.358 2.297 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.343 -0.693 4.021 1.00 0.00 C ATOM 0 H LEU A 25 0.854 -3.046 5.303 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.993 -2.852 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.304 -3.594 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.362 -3.739 2.682 1.00 0.00 H new ATOM 0 HG LEU A 25 0.119 -1.616 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.052 -0.313 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.232 -1.995 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.835 -1.518 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.364 0.317 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.073 -0.773 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.653 -0.906 4.411 1.00 0.00 H new ATOM 361 N SER A 26 -0.658 -5.907 4.965 1.00 0.00 N ATOM 362 CA SER A 26 -1.064 -7.329 4.944 1.00 0.00 C ATOM 363 C SER A 26 -1.725 -7.809 6.249 1.00 0.00 C ATOM 364 O SER A 26 -2.016 -8.996 6.409 1.00 0.00 O ATOM 365 CB SER A 26 0.118 -8.234 4.581 1.00 0.00 C ATOM 366 OG SER A 26 -0.324 -9.571 4.392 1.00 0.00 O ATOM 0 H SER A 26 0.351 -5.757 4.986 1.00 0.00 H new ATOM 0 HA SER A 26 -1.828 -7.402 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.597 -7.870 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.867 -8.200 5.372 1.00 0.00 H new ATOM 0 HG SER A 26 -0.894 -9.836 5.143 1.00 0.00 H new ATOM 372 N ALA A 27 -1.970 -6.887 7.178 1.00 0.00 N ATOM 373 CA ALA A 27 -2.645 -7.115 8.447 1.00 0.00 C ATOM 374 C ALA A 27 -4.112 -6.663 8.388 1.00 0.00 C ATOM 375 O ALA A 27 -4.862 -6.873 9.345 1.00 0.00 O ATOM 376 CB ALA A 27 -1.864 -6.350 9.525 1.00 0.00 C ATOM 0 H ALA A 27 -1.688 -5.914 7.057 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.665 -8.180 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.342 -6.497 10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.840 -6.721 9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.855 -5.287 9.283 1.00 0.00 H new ATOM 382 N LEU A 28 -4.540 -6.016 7.294 1.00 0.00 N ATOM 383 CA LEU A 28 -5.862 -5.428 7.219 1.00 0.00 C ATOM 384 C LEU A 28 -6.883 -6.547 7.020 1.00 0.00 C ATOM 385 O LEU A 28 -6.760 -7.349 6.098 1.00 0.00 O ATOM 386 CB LEU A 28 -5.911 -4.379 6.098 1.00 0.00 C ATOM 387 CG LEU A 28 -4.929 -3.205 6.284 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.689 -2.462 4.966 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.457 -2.210 7.315 1.00 0.00 C ATOM 0 H LEU A 28 -3.978 -5.893 6.452 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.105 -4.906 8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.697 -4.869 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.924 -3.983 6.031 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.989 -3.632 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.992 -1.641 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.270 -3.150 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.634 -2.066 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.746 -1.391 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.416 -1.814 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.586 -2.713 8.273 1.00 0.00 H new ATOM 401 N GLN A 29 -7.921 -6.594 7.851 1.00 0.00 N ATOM 402 CA GLN A 29 -8.875 -7.712 7.885 1.00 0.00 C ATOM 403 C GLN A 29 -9.618 -7.944 6.557 1.00 0.00 C ATOM 404 O GLN A 29 -10.183 -9.012 6.364 1.00 0.00 O ATOM 405 CB GLN A 29 -9.874 -7.473 9.026 1.00 0.00 C ATOM 406 CG GLN A 29 -9.211 -7.522 10.412 1.00 0.00 C ATOM 407 CD GLN A 29 -10.156 -7.003 11.487 1.00 0.00 C ATOM 408 OE1 GLN A 29 -10.107 -5.852 11.881 1.00 0.00 O ATOM 409 NE2 GLN A 29 -11.076 -7.803 11.984 1.00 0.00 N ATOM 0 H GLN A 29 -8.130 -5.857 8.525 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.299 -8.622 8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.351 -6.502 8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.662 -8.225 8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.919 -8.546 10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.300 -6.924 10.404 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.135 -8.771 11.668 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.730 -7.455 12.685 1.00 0.00 H new ATOM 418 N TYR A 30 -9.599 -6.976 5.638 1.00 0.00 N ATOM 419 CA TYR A 30 -10.110 -7.115 4.276 1.00 0.00 C ATOM 420 C TYR A 30 -9.069 -7.518 3.214 1.00 0.00 C ATOM 421 O TYR A 30 -9.481 -7.789 2.087 1.00 0.00 O ATOM 422 CB TYR A 30 -10.769 -5.786 3.872 1.00 0.00 C ATOM 423 CG TYR A 30 -9.998 -4.510 4.203 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.707 -4.270 3.688 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.589 -3.540 5.042 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.062 -3.054 3.950 1.00 0.00 C ATOM 427 CE2 TYR A 30 -9.932 -2.326 5.326 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.666 -2.070 4.759 1.00 0.00 C ATOM 429 OH TYR A 30 -8.011 -0.904 5.013 1.00 0.00 O ATOM 0 H TYR A 30 -9.217 -6.049 5.828 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.818 -7.943 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.946 -5.807 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.744 -5.729 4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.215 -5.024 3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.560 -3.732 5.473 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.087 -2.868 3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.395 -1.596 5.974 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.566 -0.335 5.586 1.00 0.00 H new ATOM 439 N VAL A 31 -7.757 -7.488 3.483 1.00 0.00 N ATOM 440 CA VAL A 31 -6.746 -7.719 2.433 1.00 0.00 C ATOM 441 C VAL A 31 -6.350 -9.193 2.406 1.00 0.00 C ATOM 442 O VAL A 31 -6.302 -9.851 3.440 1.00 0.00 O ATOM 443 CB VAL A 31 -5.543 -6.751 2.480 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.544 -7.055 3.546 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.735 -6.736 1.169 1.00 0.00 C ATOM 0 H VAL A 31 -7.369 -7.308 4.409 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.212 -7.478 1.477 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.027 -5.794 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.735 -6.326 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.027 -7.007 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.139 -8.055 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.903 -6.038 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.349 -7.735 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.380 -6.424 0.348 1.00 0.00 H new ATOM 455 N SER A 32 -6.099 -9.722 1.211 1.00 0.00 N ATOM 456 CA SER A 32 -5.791 -11.140 1.010 1.00 0.00 C ATOM 457 C SER A 32 -4.334 -11.382 0.580 1.00 0.00 C ATOM 458 O SER A 32 -3.901 -12.532 0.572 1.00 0.00 O ATOM 459 CB SER A 32 -6.768 -11.697 -0.033 1.00 0.00 C ATOM 460 OG SER A 32 -6.686 -13.108 -0.096 1.00 0.00 O ATOM 0 H SER A 32 -6.103 -9.178 0.348 1.00 0.00 H new ATOM 0 HA SER A 32 -5.907 -11.658 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.785 -11.398 0.219 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.544 -11.271 -1.011 1.00 0.00 H new ATOM 0 HG SER A 32 -5.810 -13.400 0.234 1.00 0.00 H new ATOM 466 N SER A 33 -3.585 -10.335 0.207 1.00 0.00 N ATOM 467 CA SER A 33 -2.230 -10.355 -0.365 1.00 0.00 C ATOM 468 C SER A 33 -1.715 -8.954 -0.741 1.00 0.00 C ATOM 469 O SER A 33 -2.427 -7.950 -0.706 1.00 0.00 O ATOM 470 CB SER A 33 -2.162 -11.289 -1.583 1.00 0.00 C ATOM 471 OG SER A 33 -1.890 -12.603 -1.155 1.00 0.00 O ATOM 0 H SER A 33 -3.935 -9.382 0.304 1.00 0.00 H new ATOM 0 HA SER A 33 -1.575 -10.737 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.105 -11.261 -2.129 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.386 -10.951 -2.270 1.00 0.00 H new ATOM 0 HG SER A 33 -2.642 -12.935 -0.621 1.00 0.00 H new ATOM 477 N ILE A 34 -0.455 -8.889 -1.149 1.00 0.00 N ATOM 478 CA ILE A 34 0.343 -7.683 -1.412 1.00 0.00 C ATOM 479 C ILE A 34 1.686 -8.082 -2.038 1.00 0.00 C ATOM 480 O ILE A 34 2.185 -9.172 -1.772 1.00 0.00 O ATOM 481 CB ILE A 34 0.517 -6.841 -0.114 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.293 -5.529 -0.369 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.189 -7.644 1.019 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.149 -4.505 0.762 1.00 0.00 C ATOM 0 H ILE A 34 0.083 -9.738 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.181 -7.046 -2.125 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.491 -6.582 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.349 -5.761 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.941 -5.083 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.288 -7.013 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.578 -8.514 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.177 -7.973 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.719 -3.609 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.098 -4.244 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.527 -4.933 1.690 1.00 0.00 H new ATOM 496 N VAL A 35 2.251 -7.205 -2.863 1.00 0.00 N ATOM 497 CA VAL A 35 3.625 -7.246 -3.380 1.00 0.00 C ATOM 498 C VAL A 35 4.127 -5.820 -3.417 1.00 0.00 C ATOM 499 O VAL A 35 3.480 -4.935 -3.967 1.00 0.00 O ATOM 500 CB VAL A 35 3.729 -7.845 -4.801 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.097 -7.603 -5.474 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.528 -9.359 -4.719 1.00 0.00 C ATOM 0 H VAL A 35 1.736 -6.397 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 35 4.216 -7.889 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 35 2.964 -7.349 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.098 -8.051 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.276 -6.531 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.884 -8.056 -4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.600 -9.790 -5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.296 -9.794 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.544 -9.573 -4.301 1.00 0.00 H new ATOM 512 N VAL A 36 5.310 -5.611 -2.872 1.00 0.00 N ATOM 513 CA VAL A 36 5.954 -4.287 -2.830 1.00 0.00 C ATOM 514 C VAL A 36 7.161 -4.232 -3.773 1.00 0.00 C ATOM 515 O VAL A 36 7.807 -5.239 -4.058 1.00 0.00 O ATOM 516 CB VAL A 36 6.268 -3.887 -1.375 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.220 -4.900 -0.758 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.794 -2.452 -1.234 1.00 0.00 C ATOM 0 H VAL A 36 5.864 -6.350 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 36 5.262 -3.533 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 36 5.327 -3.899 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.439 -4.614 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.758 -5.887 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.146 -4.926 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.994 -2.239 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.715 -2.344 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.048 -1.752 -1.610 1.00 0.00 H new ATOM 528 N SER A 37 7.440 -3.043 -4.303 1.00 0.00 N ATOM 529 CA SER A 37 8.613 -2.799 -5.140 1.00 0.00 C ATOM 530 C SER A 37 9.834 -2.603 -4.240 1.00 0.00 C ATOM 531 O SER A 37 9.909 -1.607 -3.533 1.00 0.00 O ATOM 532 CB SER A 37 8.387 -1.547 -6.003 1.00 0.00 C ATOM 533 OG SER A 37 7.114 -1.591 -6.618 1.00 0.00 O ATOM 0 H SER A 37 6.856 -2.218 -4.163 1.00 0.00 H new ATOM 0 HA SER A 37 8.779 -3.651 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.468 -0.653 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.163 -1.479 -6.765 1.00 0.00 H new ATOM 0 HG SER A 37 6.792 -0.678 -6.768 1.00 0.00 H new ATOM 539 N LEU A 38 10.808 -3.518 -4.264 1.00 0.00 N ATOM 540 CA LEU A 38 11.979 -3.446 -3.381 1.00 0.00 C ATOM 541 C LEU A 38 12.781 -2.150 -3.616 1.00 0.00 C ATOM 542 O LEU A 38 13.223 -1.501 -2.669 1.00 0.00 O ATOM 543 CB LEU A 38 12.795 -4.738 -3.626 1.00 0.00 C ATOM 544 CG LEU A 38 13.766 -5.226 -2.530 1.00 0.00 C ATOM 545 CD1 LEU A 38 15.078 -4.461 -2.527 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.167 -5.174 -1.122 1.00 0.00 C ATOM 0 H LEU A 38 10.809 -4.323 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 38 11.691 -3.396 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.087 -5.543 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.373 -4.594 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 38 13.957 -6.268 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.722 -4.846 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.573 -4.584 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.882 -3.403 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.902 -5.531 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.891 -4.147 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.281 -5.807 -1.080 1.00 0.00 H new ATOM 558 N GLU A 39 12.940 -1.780 -4.889 1.00 0.00 N ATOM 559 CA GLU A 39 13.794 -0.702 -5.374 1.00 0.00 C ATOM 560 C GLU A 39 13.066 0.629 -5.625 1.00 0.00 C ATOM 561 O GLU A 39 13.700 1.677 -5.682 1.00 0.00 O ATOM 562 CB GLU A 39 14.403 -1.193 -6.706 1.00 0.00 C ATOM 563 CG GLU A 39 15.904 -0.933 -6.789 1.00 0.00 C ATOM 564 CD GLU A 39 16.692 -1.660 -5.702 1.00 0.00 C ATOM 565 OE1 GLU A 39 16.201 -2.660 -5.135 1.00 0.00 O ATOM 566 OE2 GLU A 39 17.769 -1.167 -5.305 1.00 0.00 O ATOM 0 H GLU A 39 12.448 -2.252 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 39 14.534 -0.489 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.215 -2.261 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.904 -0.694 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.269 -1.247 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.087 0.138 -6.709 1.00 0.00 H new ATOM 573 N ASN A 40 11.748 0.593 -5.834 1.00 0.00 N ATOM 574 CA ASN A 40 10.926 1.754 -6.215 1.00 0.00 C ATOM 575 C ASN A 40 9.908 2.084 -5.119 1.00 0.00 C ATOM 576 O ASN A 40 9.511 1.218 -4.348 1.00 0.00 O ATOM 577 CB ASN A 40 10.224 1.496 -7.556 1.00 0.00 C ATOM 578 CG ASN A 40 11.173 1.820 -8.695 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.066 2.854 -9.336 1.00 0.00 O ATOM 580 ND2 ASN A 40 12.172 0.994 -8.925 1.00 0.00 N ATOM 0 H ASN A 40 11.204 -0.265 -5.742 1.00 0.00 H new ATOM 0 HA ASN A 40 11.582 2.617 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.907 0.455 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.325 2.108 -7.632 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.863 1.216 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.256 0.132 -8.386 1.00 0.00 H new ATOM 587 N ARG A 41 9.434 3.332 -5.044 1.00 0.00 N ATOM 588 CA ARG A 41 8.630 3.806 -3.909 1.00 0.00 C ATOM 589 C ARG A 41 7.141 3.373 -3.921 1.00 0.00 C ATOM 590 O ARG A 41 6.256 4.148 -3.581 1.00 0.00 O ATOM 591 CB ARG A 41 8.901 5.297 -3.628 1.00 0.00 C ATOM 592 CG ARG A 41 8.388 6.391 -4.581 1.00 0.00 C ATOM 593 CD ARG A 41 9.258 6.762 -5.786 1.00 0.00 C ATOM 594 NE ARG A 41 9.075 8.205 -6.079 1.00 0.00 N ATOM 595 CZ ARG A 41 9.931 9.071 -6.605 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.056 8.693 -7.178 1.00 0.00 N ATOM 597 NH2 ARG A 41 9.638 10.354 -6.543 1.00 0.00 N ATOM 0 H ARG A 41 9.594 4.039 -5.762 1.00 0.00 H new ATOM 0 HA ARG A 41 8.980 3.267 -3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.491 5.515 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.982 5.417 -3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.414 6.077 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.227 7.296 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.306 6.549 -5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.979 6.162 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 41 8.159 8.586 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.295 7.703 -7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.688 9.391 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.772 10.658 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.278 11.043 -6.939 1.00 0.00 H new ATOM 611 N SER A 42 6.832 2.147 -4.342 1.00 0.00 N ATOM 612 CA SER A 42 5.468 1.659 -4.658 1.00 0.00 C ATOM 613 C SER A 42 5.110 0.233 -4.192 1.00 0.00 C ATOM 614 O SER A 42 5.966 -0.643 -4.070 1.00 0.00 O ATOM 615 CB SER A 42 5.269 1.682 -6.184 1.00 0.00 C ATOM 616 OG SER A 42 6.420 1.227 -6.888 1.00 0.00 O ATOM 0 H SER A 42 7.544 1.430 -4.481 1.00 0.00 H new ATOM 0 HA SER A 42 4.817 2.335 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.415 1.057 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.030 2.697 -6.501 1.00 0.00 H new ATOM 0 HG SER A 42 6.247 1.257 -7.852 1.00 0.00 H new ATOM 622 N ALA A 43 3.802 -0.027 -4.061 1.00 0.00 N ATOM 623 CA ALA A 43 3.196 -1.291 -3.627 1.00 0.00 C ATOM 624 C ALA A 43 1.925 -1.619 -4.433 1.00 0.00 C ATOM 625 O ALA A 43 1.112 -0.744 -4.720 1.00 0.00 O ATOM 626 CB ALA A 43 2.889 -1.180 -2.122 1.00 0.00 C ATOM 0 H ALA A 43 3.098 0.682 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 43 3.892 -2.111 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.437 -2.109 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.814 -0.999 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.199 -0.354 -1.951 1.00 0.00 H new ATOM 632 N ILE A 44 1.758 -2.895 -4.776 1.00 0.00 N ATOM 633 CA ILE A 44 0.575 -3.497 -5.402 1.00 0.00 C ATOM 634 C ILE A 44 -0.097 -4.342 -4.317 1.00 0.00 C ATOM 635 O ILE A 44 0.543 -5.231 -3.754 1.00 0.00 O ATOM 636 CB ILE A 44 0.991 -4.364 -6.610 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.788 -3.533 -7.645 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.265 -4.985 -7.252 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.410 -4.380 -8.758 1.00 0.00 C ATOM 0 H ILE A 44 2.492 -3.584 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.110 -2.740 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 44 1.646 -5.163 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.126 -2.791 -8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.578 -2.987 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.027 -5.597 -8.105 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.779 -5.606 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.933 -4.191 -7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.953 -3.733 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.098 -5.105 -8.322 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.623 -4.906 -9.298 1.00 0.00 H new ATOM 651 N VAL A 45 -1.353 -4.059 -3.992 1.00 0.00 N ATOM 652 CA VAL A 45 -2.072 -4.607 -2.831 1.00 0.00 C ATOM 653 C VAL A 45 -3.301 -5.366 -3.336 1.00 0.00 C ATOM 654 O VAL A 45 -3.989 -4.865 -4.226 1.00 0.00 O ATOM 655 CB VAL A 45 -2.508 -3.466 -1.896 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.124 -4.041 -0.614 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.347 -2.527 -1.513 1.00 0.00 C ATOM 0 H VAL A 45 -1.925 -3.420 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.421 -5.280 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.243 -2.879 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.429 -3.225 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.994 -4.647 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.387 -4.660 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.716 -1.742 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.572 -3.097 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.931 -2.077 -2.414 1.00 0.00 H new ATOM 667 N VAL A 46 -3.585 -6.549 -2.781 1.00 0.00 N ATOM 668 CA VAL A 46 -4.588 -7.500 -3.297 1.00 0.00 C ATOM 669 C VAL A 46 -5.605 -7.830 -2.194 1.00 0.00 C ATOM 670 O VAL A 46 -5.294 -8.548 -1.249 1.00 0.00 O ATOM 671 CB VAL A 46 -3.882 -8.787 -3.793 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.850 -9.810 -4.404 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.728 -8.508 -4.775 1.00 0.00 C ATOM 0 H VAL A 46 -3.115 -6.884 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.119 -7.050 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.456 -9.223 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.293 -10.688 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.586 -10.106 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.359 -9.364 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.277 -9.451 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.114 -7.987 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.976 -7.889 -4.286 1.00 0.00 H new ATOM 683 N TYR A 47 -6.818 -7.284 -2.277 1.00 0.00 N ATOM 684 CA TYR A 47 -7.839 -7.308 -1.212 1.00 0.00 C ATOM 685 C TYR A 47 -9.169 -7.959 -1.635 1.00 0.00 C ATOM 686 O TYR A 47 -9.441 -8.163 -2.813 1.00 0.00 O ATOM 687 CB TYR A 47 -8.063 -5.881 -0.682 1.00 0.00 C ATOM 688 CG TYR A 47 -8.651 -4.925 -1.702 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.789 -4.327 -2.636 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.030 -4.635 -1.733 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.284 -3.433 -3.595 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.540 -3.757 -2.714 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.663 -3.153 -3.646 1.00 0.00 C ATOM 694 OH TYR A 47 -10.126 -2.317 -4.611 1.00 0.00 O ATOM 0 H TYR A 47 -7.135 -6.794 -3.114 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.452 -7.944 -0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.726 -5.926 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.111 -5.481 -0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.734 -4.558 -2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.694 -5.083 -1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.609 -2.960 -4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.599 -3.547 -2.753 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.097 -2.220 -4.521 1.00 0.00 H new ATOM 704 N ASN A 48 -10.019 -8.297 -0.665 1.00 0.00 N ATOM 705 CA ASN A 48 -11.239 -9.077 -0.879 1.00 0.00 C ATOM 706 C ASN A 48 -12.445 -8.156 -1.124 1.00 0.00 C ATOM 707 O ASN A 48 -12.901 -7.487 -0.196 1.00 0.00 O ATOM 708 CB ASN A 48 -11.425 -9.986 0.354 1.00 0.00 C ATOM 709 CG ASN A 48 -12.714 -10.798 0.344 1.00 0.00 C ATOM 710 OD1 ASN A 48 -12.717 -11.996 0.119 1.00 0.00 O ATOM 711 ND2 ASN A 48 -13.850 -10.178 0.604 1.00 0.00 N ATOM 0 H ASN A 48 -9.877 -8.032 0.310 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.157 -9.695 -1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.579 -10.670 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.405 -9.369 1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.725 -10.701 0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.852 -9.176 0.793 1.00 0.00 H new ATOM 780 N PRO A 54 -10.035 1.514 -3.378 1.00 0.00 N ATOM 781 CA PRO A 54 -8.595 1.693 -3.205 1.00 0.00 C ATOM 782 C PRO A 54 -8.214 2.767 -2.176 1.00 0.00 C ATOM 783 O PRO A 54 -7.125 2.690 -1.610 1.00 0.00 O ATOM 784 CB PRO A 54 -8.084 2.062 -4.601 1.00 0.00 C ATOM 785 CG PRO A 54 -9.253 2.836 -5.206 1.00 0.00 C ATOM 786 CD PRO A 54 -10.453 2.060 -4.666 1.00 0.00 C ATOM 0 HA PRO A 54 -8.146 0.784 -2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.181 2.670 -4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.840 1.176 -5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.263 3.878 -4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.223 2.837 -6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.319 2.712 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.743 1.264 -5.351 1.00 0.00 H new ATOM 794 N GLU A 55 -9.081 3.753 -1.902 1.00 0.00 N ATOM 795 CA GLU A 55 -8.765 4.854 -0.976 1.00 0.00 C ATOM 796 C GLU A 55 -8.402 4.372 0.436 1.00 0.00 C ATOM 797 O GLU A 55 -7.570 4.987 1.093 1.00 0.00 O ATOM 798 CB GLU A 55 -9.939 5.850 -0.904 1.00 0.00 C ATOM 799 CG GLU A 55 -9.777 7.028 -1.872 1.00 0.00 C ATOM 800 CD GLU A 55 -8.689 7.990 -1.396 1.00 0.00 C ATOM 801 OE1 GLU A 55 -8.947 8.818 -0.497 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.547 7.920 -1.896 1.00 0.00 O ATOM 0 H GLU A 55 -10.013 3.811 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.882 5.350 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.868 5.326 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.025 6.231 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.526 6.654 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.724 7.561 -1.962 1.00 0.00 H new ATOM 809 N SER A 56 -8.973 3.267 0.916 1.00 0.00 N ATOM 810 CA SER A 56 -8.697 2.737 2.249 1.00 0.00 C ATOM 811 C SER A 56 -7.286 2.157 2.360 1.00 0.00 C ATOM 812 O SER A 56 -6.638 2.296 3.395 1.00 0.00 O ATOM 813 CB SER A 56 -9.701 1.623 2.543 1.00 0.00 C ATOM 814 OG SER A 56 -11.023 1.980 2.156 1.00 0.00 O ATOM 0 H SER A 56 -9.645 2.712 0.386 1.00 0.00 H new ATOM 0 HA SER A 56 -8.781 3.557 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.401 0.717 2.016 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.685 1.393 3.608 1.00 0.00 H new ATOM 0 HG SER A 56 -11.634 1.241 2.359 1.00 0.00 H new ATOM 820 N LEU A 57 -6.797 1.521 1.287 1.00 0.00 N ATOM 821 CA LEU A 57 -5.434 1.004 1.233 1.00 0.00 C ATOM 822 C LEU A 57 -4.446 2.167 1.119 1.00 0.00 C ATOM 823 O LEU A 57 -3.502 2.216 1.899 1.00 0.00 O ATOM 824 CB LEU A 57 -5.263 0.036 0.056 1.00 0.00 C ATOM 825 CG LEU A 57 -6.178 -1.206 0.011 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.806 -2.005 -1.239 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.069 -2.118 1.239 1.00 0.00 C ATOM 0 H LEU A 57 -7.337 1.354 0.438 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.232 0.453 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.415 0.598 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.229 -0.309 0.053 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.209 -0.851 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.435 -2.893 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.958 -1.387 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.760 -2.305 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.745 -2.965 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.045 -2.481 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.339 -1.557 2.134 1.00 0.00 H new ATOM 839 N ARG A 58 -4.712 3.145 0.237 1.00 0.00 N ATOM 840 CA ARG A 58 -3.948 4.398 0.155 1.00 0.00 C ATOM 841 C ARG A 58 -3.792 5.023 1.547 1.00 0.00 C ATOM 842 O ARG A 58 -2.682 5.335 1.978 1.00 0.00 O ATOM 843 CB ARG A 58 -4.646 5.338 -0.850 1.00 0.00 C ATOM 844 CG ARG A 58 -3.789 6.516 -1.324 1.00 0.00 C ATOM 845 CD ARG A 58 -3.894 7.786 -0.469 1.00 0.00 C ATOM 846 NE ARG A 58 -5.104 8.559 -0.785 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.241 9.876 -0.739 1.00 0.00 C ATOM 848 NH1 ARG A 58 -4.310 10.692 -0.287 1.00 0.00 N ATOM 849 NH2 ARG A 58 -6.383 10.376 -1.156 1.00 0.00 N ATOM 0 H ARG A 58 -5.469 3.086 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.938 4.207 -0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.952 4.756 -1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.555 5.728 -0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.746 6.199 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.072 6.762 -2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.902 7.514 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.013 8.407 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.925 8.025 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.424 10.317 0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.475 11.699 -0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.118 9.755 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.535 11.385 -1.139 1.00 0.00 H new ATOM 863 N LYS A 59 -4.892 5.107 2.299 1.00 0.00 N ATOM 864 CA LYS A 59 -4.910 5.567 3.685 1.00 0.00 C ATOM 865 C LYS A 59 -4.189 4.631 4.672 1.00 0.00 C ATOM 866 O LYS A 59 -3.521 5.147 5.562 1.00 0.00 O ATOM 867 CB LYS A 59 -6.370 5.848 4.080 1.00 0.00 C ATOM 868 CG LYS A 59 -6.791 7.314 3.860 1.00 0.00 C ATOM 869 CD LYS A 59 -6.450 7.891 2.475 1.00 0.00 C ATOM 870 CE LYS A 59 -6.803 9.377 2.374 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.218 9.581 1.979 1.00 0.00 N ATOM 0 H LYS A 59 -5.816 4.850 1.950 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.328 6.487 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.027 5.198 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.511 5.591 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.867 7.394 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.313 7.931 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.387 7.756 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.990 7.336 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.620 9.860 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.149 9.857 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.573 10.462 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.284 9.644 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.791 8.780 2.314 1.00 0.00 H new ATOM 885 N ALA A 60 -4.220 3.301 4.518 1.00 0.00 N ATOM 886 CA ALA A 60 -3.437 2.398 5.371 1.00 0.00 C ATOM 887 C ALA A 60 -1.923 2.548 5.138 1.00 0.00 C ATOM 888 O ALA A 60 -1.138 2.465 6.080 1.00 0.00 O ATOM 889 CB ALA A 60 -3.905 0.962 5.140 1.00 0.00 C ATOM 0 H ALA A 60 -4.780 2.826 3.810 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.607 2.666 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.328 0.285 5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.962 0.879 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.759 0.696 4.093 1.00 0.00 H new ATOM 895 N ILE A 61 -1.518 2.867 3.900 1.00 0.00 N ATOM 896 CA ILE A 61 -0.143 3.253 3.572 1.00 0.00 C ATOM 897 C ILE A 61 0.187 4.600 4.228 1.00 0.00 C ATOM 898 O ILE A 61 1.084 4.639 5.069 1.00 0.00 O ATOM 899 CB ILE A 61 0.112 3.223 2.037 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.230 1.870 1.376 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.590 3.508 1.758 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.137 1.826 -0.152 1.00 0.00 C ATOM 0 H ILE A 61 -2.143 2.863 3.094 1.00 0.00 H new ATOM 0 HA ILE A 61 0.548 2.518 3.985 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.544 3.982 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.438 1.111 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.243 1.592 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.768 3.487 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.851 4.491 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.205 2.749 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.399 0.828 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.827 2.554 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.880 2.065 -0.462 1.00 0.00 H new ATOM 914 N GLU A 62 -0.567 5.672 3.944 1.00 0.00 N ATOM 915 CA GLU A 62 -0.414 6.991 4.580 1.00 0.00 C ATOM 916 C GLU A 62 -0.364 6.904 6.118 1.00 0.00 C ATOM 917 O GLU A 62 0.334 7.697 6.737 1.00 0.00 O ATOM 918 CB GLU A 62 -1.520 7.969 4.101 1.00 0.00 C ATOM 919 CG GLU A 62 -1.274 8.387 2.643 1.00 0.00 C ATOM 920 CD GLU A 62 -2.248 9.355 1.955 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.452 9.383 2.295 1.00 0.00 O ATOM 922 OE2 GLU A 62 -1.822 9.984 0.951 1.00 0.00 O ATOM 0 H GLU A 62 -1.316 5.647 3.252 1.00 0.00 H new ATOM 0 HA GLU A 62 0.551 7.387 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.497 7.494 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.536 8.851 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.281 8.835 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.242 7.477 2.044 1.00 0.00 H new ATOM 929 N ALA A 63 -0.987 5.896 6.741 1.00 0.00 N ATOM 930 CA ALA A 63 -0.994 5.702 8.193 1.00 0.00 C ATOM 931 C ALA A 63 0.240 4.984 8.770 1.00 0.00 C ATOM 932 O ALA A 63 0.326 4.827 9.986 1.00 0.00 O ATOM 933 CB ALA A 63 -2.300 4.990 8.577 1.00 0.00 C ATOM 0 H ALA A 63 -1.510 5.179 6.238 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.939 6.691 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.326 4.835 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.150 5.603 8.277 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.351 4.026 8.071 1.00 0.00 H new ATOM 939 N VAL A 64 1.210 4.611 7.933 1.00 0.00 N ATOM 940 CA VAL A 64 2.464 3.960 8.361 1.00 0.00 C ATOM 941 C VAL A 64 3.576 4.979 8.581 1.00 0.00 C ATOM 942 O VAL A 64 4.455 4.785 9.417 1.00 0.00 O ATOM 943 CB VAL A 64 2.914 2.840 7.398 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.794 3.251 6.234 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.709 1.790 8.183 1.00 0.00 C ATOM 0 H VAL A 64 1.152 4.751 6.924 1.00 0.00 H new ATOM 0 HA VAL A 64 2.251 3.482 9.317 1.00 0.00 H new ATOM 0 HB VAL A 64 1.978 2.479 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.039 2.374 5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.264 3.976 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.712 3.700 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.029 0.997 7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.584 2.258 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.080 1.368 8.966 1.00 0.00 H new ATOM 955 N SER A 65 3.549 6.091 7.846 1.00 0.00 N ATOM 956 CA SER A 65 4.395 7.248 8.134 1.00 0.00 C ATOM 957 C SER A 65 3.678 8.571 7.795 1.00 0.00 C ATOM 958 O SER A 65 4.099 9.293 6.890 1.00 0.00 O ATOM 959 CB SER A 65 5.798 7.092 7.524 1.00 0.00 C ATOM 960 OG SER A 65 6.211 5.744 7.345 1.00 0.00 O ATOM 0 H SER A 65 2.941 6.214 7.036 1.00 0.00 H new ATOM 0 HA SER A 65 4.568 7.294 9.209 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.820 7.598 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.519 7.598 8.166 1.00 0.00 H new ATOM 0 HG SER A 65 6.311 5.557 6.388 1.00 0.00 H new ATOM 966 N PRO A 66 2.571 8.885 8.496 1.00 0.00 N ATOM 967 CA PRO A 66 1.727 10.042 8.217 1.00 0.00 C ATOM 968 C PRO A 66 2.486 11.361 8.340 1.00 0.00 C ATOM 969 O PRO A 66 3.373 11.512 9.177 1.00 0.00 O ATOM 970 CB PRO A 66 0.534 9.954 9.182 1.00 0.00 C ATOM 971 CG PRO A 66 0.995 8.977 10.265 1.00 0.00 C ATOM 972 CD PRO A 66 1.926 8.050 9.494 1.00 0.00 C ATOM 0 HA PRO A 66 1.383 10.026 7.183 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.291 10.929 9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.361 9.593 8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.511 9.486 11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.158 8.436 10.707 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.661 7.593 10.157 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.370 7.238 9.026 1.00 0.00 H new ATOM 980 N GLY A 67 2.138 12.312 7.467 1.00 0.00 N ATOM 981 CA GLY A 67 2.813 13.609 7.330 1.00 0.00 C ATOM 982 C GLY A 67 4.033 13.554 6.407 1.00 0.00 C ATOM 983 O GLY A 67 4.328 14.544 5.744 1.00 0.00 O ATOM 0 H GLY A 67 1.359 12.199 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.105 14.342 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.125 13.956 8.315 1.00 0.00 H new ATOM 987 N LEU A 68 4.708 12.404 6.333 1.00 0.00 N ATOM 988 CA LEU A 68 5.795 12.115 5.391 1.00 0.00 C ATOM 989 C LEU A 68 5.257 11.458 4.114 1.00 0.00 C ATOM 990 O LEU A 68 5.601 11.845 2.998 1.00 0.00 O ATOM 991 CB LEU A 68 6.801 11.213 6.124 1.00 0.00 C ATOM 992 CG LEU A 68 7.891 10.626 5.216 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.767 11.711 4.592 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.756 9.697 6.054 1.00 0.00 C ATOM 0 H LEU A 68 4.505 11.618 6.951 1.00 0.00 H new ATOM 0 HA LEU A 68 6.286 13.034 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.276 11.787 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.260 10.395 6.600 1.00 0.00 H new ATOM 0 HG LEU A 68 7.410 10.089 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.523 11.248 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.148 12.377 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.255 12.283 5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.539 9.267 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.210 10.260 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.139 8.897 6.465 1.00 0.00 H new ATOM 1006 N TYR A 69 4.417 10.438 4.280 1.00 0.00 N ATOM 1007 CA TYR A 69 3.884 9.626 3.193 1.00 0.00 C ATOM 1008 C TYR A 69 2.860 10.368 2.326 1.00 0.00 C ATOM 1009 O TYR A 69 1.675 10.448 2.643 1.00 0.00 O ATOM 1010 CB TYR A 69 3.257 8.326 3.726 1.00 0.00 C ATOM 1011 CG TYR A 69 4.181 7.137 3.856 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.553 7.266 4.140 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.640 5.860 3.646 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.359 6.118 4.263 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.450 4.722 3.661 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.803 4.842 4.015 1.00 0.00 C ATOM 1017 OH TYR A 69 6.511 3.697 4.179 1.00 0.00 O ATOM 0 H TYR A 69 4.081 10.148 5.198 1.00 0.00 H new ATOM 0 HA TYR A 69 4.739 9.390 2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.825 8.532 4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.434 8.049 3.067 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.988 8.247 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.580 5.755 3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.397 6.212 4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.039 3.758 3.402 1.00 0.00 H new ATOM 0 HH TYR A 69 7.448 3.916 4.366 1.00 0.00 H new ATOM 1027 N ARG A 70 3.332 10.865 1.187 1.00 0.00 N ATOM 1028 CA ARG A 70 2.489 11.268 0.063 1.00 0.00 C ATOM 1029 C ARG A 70 2.034 9.962 -0.590 1.00 0.00 C ATOM 1030 O ARG A 70 2.940 9.277 -1.045 1.00 0.00 O ATOM 1031 CB ARG A 70 3.370 11.979 -0.955 1.00 0.00 C ATOM 1032 CG ARG A 70 3.337 13.498 -0.836 1.00 0.00 C ATOM 1033 CD ARG A 70 4.184 13.995 -1.992 1.00 0.00 C ATOM 1034 NE ARG A 70 4.151 15.451 -2.162 1.00 0.00 N ATOM 1035 CZ ARG A 70 4.753 16.105 -3.149 1.00 0.00 C ATOM 1036 NH1 ARG A 70 5.509 15.514 -4.053 1.00 0.00 N ATOM 1037 NH2 ARG A 70 4.599 17.406 -3.243 1.00 0.00 N ATOM 0 H ARG A 70 4.328 11.002 1.015 1.00 0.00 H new ATOM 0 HA ARG A 70 1.663 11.906 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.398 11.636 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.053 11.695 -1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.317 13.878 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.740 13.829 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.216 13.679 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.841 13.522 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 70 3.631 15.998 -1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.655 14.505 -4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.948 16.066 -4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.023 17.902 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.056 17.921 -3.996 1.00 0.00 H new ATOM 1051 N VAL A 71 0.757 9.588 -0.715 1.00 0.00 N ATOM 1052 CA VAL A 71 0.417 8.333 -1.441 1.00 0.00 C ATOM 1053 C VAL A 71 -0.547 8.571 -2.603 1.00 0.00 C ATOM 1054 O VAL A 71 -1.542 9.283 -2.488 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.053 7.186 -0.527 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.079 5.840 -1.280 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.922 7.001 0.645 1.00 0.00 C ATOM 0 H VAL A 71 -0.040 10.105 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 71 1.361 7.995 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.052 7.455 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.415 5.052 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.763 5.910 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.922 5.606 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.576 6.187 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.913 6.764 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.970 7.921 1.227 1.00 0.00 H new ATOM 1067 N SER A 72 -0.228 7.950 -3.736 1.00 0.00 N ATOM 1068 CA SER A 72 -0.861 8.192 -5.035 1.00 0.00 C ATOM 1069 C SER A 72 -1.236 6.862 -5.696 1.00 0.00 C ATOM 1070 O SER A 72 -0.425 5.946 -5.735 1.00 0.00 O ATOM 1071 CB SER A 72 0.109 8.961 -5.965 1.00 0.00 C ATOM 1072 OG SER A 72 1.225 9.538 -5.296 1.00 0.00 O ATOM 0 H SER A 72 0.503 7.240 -3.779 1.00 0.00 H new ATOM 0 HA SER A 72 -1.761 8.786 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.473 8.280 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.443 9.751 -6.474 1.00 0.00 H new ATOM 0 HG SER A 72 1.775 8.828 -4.905 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.435 6.718 -6.254 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.800 5.551 -7.077 1.00 0.00 C ATOM 1080 C ILE A 73 -2.131 5.636 -8.446 1.00 0.00 C ATOM 1081 O ILE A 73 -2.307 6.611 -9.174 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.340 5.423 -7.183 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.971 5.247 -5.782 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.741 4.258 -8.110 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.503 5.307 -5.758 1.00 0.00 C ATOM 0 H ILE A 73 -3.185 7.402 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.435 4.644 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.722 6.345 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.652 4.289 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.580 6.022 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.828 4.194 -8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.338 4.431 -9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.342 3.324 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.856 5.174 -4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.835 6.275 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.908 4.515 -6.388 1.00 0.00 H new ATOM 1097 N THR A 74 -1.365 4.597 -8.788 1.00 0.00 N ATOM 1098 CA THR A 74 -0.750 4.449 -10.104 1.00 0.00 C ATOM 1099 C THR A 74 -1.722 3.734 -11.031 1.00 0.00 C ATOM 1100 O THR A 74 -2.043 2.567 -10.817 1.00 0.00 O ATOM 1101 CB THR A 74 0.593 3.708 -10.025 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.120 3.724 -8.717 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.596 4.454 -10.890 1.00 0.00 C ATOM 0 H THR A 74 -1.154 3.829 -8.151 1.00 0.00 H new ATOM 0 HA THR A 74 -0.534 5.440 -10.504 1.00 0.00 H new ATOM 0 HB THR A 74 0.427 2.680 -10.346 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.973 3.243 -8.702 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.560 3.946 -10.850 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.241 4.478 -11.920 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.708 5.473 -10.521 1.00 0.00 H new