USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=24 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.488 K(o=0.49,f=-1.7) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.137 X(o=2.8,f=2.7) USER MOD Set 2.2: A 17 CYS SG : rot -55:sc= 1.71 USER MOD Set 2.3: A 69 TYR OH : rot -26:sc= 1.27 USER MOD Single : A 3 SER OG : rot 180:sc= 0.05 USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.753 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -164:sc= -1.67 (180deg=-3.71!) USER MOD Single : A 14 CYS SG : rot 50:sc= 0.748 USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0.777 (180deg=0.755) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.075) USER MOD Single : A 23 SER OG : rot 69:sc= 1.25 USER MOD Single : A 24 THR OG1 : rot 83:sc= -0.106 USER MOD Single : A 26 SER OG : rot -49:sc= 0.011 USER MOD Single : A 29 GLN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -139:sc= 1.27 USER MOD Single : A 33 SER OG : rot 29:sc= 1.21 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.82) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.14) USER MOD Single : A 65 SER OG : rot 114:sc= 0.458 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00108 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.351 -12.380 -5.851 1.00 0.00 N ATOM 16 CA ASP A 2 -9.917 -11.130 -5.238 1.00 0.00 C ATOM 17 C ASP A 2 -9.753 -9.976 -6.258 1.00 0.00 C ATOM 18 O ASP A 2 -9.758 -10.162 -7.472 1.00 0.00 O ATOM 19 CB ASP A 2 -8.609 -11.374 -4.436 1.00 0.00 C ATOM 20 CG ASP A 2 -7.562 -12.356 -5.016 1.00 0.00 C ATOM 21 OD1 ASP A 2 -7.700 -12.848 -6.162 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.631 -12.673 -4.237 1.00 0.00 O ATOM 0 HA ASP A 2 -10.704 -10.804 -4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.119 -10.410 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.889 -11.734 -3.446 1.00 0.00 H new ATOM 27 N SER A 3 -9.621 -8.750 -5.748 1.00 0.00 N ATOM 28 CA SER A 3 -9.262 -7.548 -6.509 1.00 0.00 C ATOM 29 C SER A 3 -7.783 -7.163 -6.310 1.00 0.00 C ATOM 30 O SER A 3 -7.003 -7.890 -5.692 1.00 0.00 O ATOM 31 CB SER A 3 -10.177 -6.380 -6.102 1.00 0.00 C ATOM 32 OG SER A 3 -10.302 -5.448 -7.164 1.00 0.00 O ATOM 0 H SER A 3 -9.766 -8.558 -4.757 1.00 0.00 H new ATOM 0 HA SER A 3 -9.402 -7.768 -7.567 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.161 -6.761 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.771 -5.883 -5.221 1.00 0.00 H new ATOM 0 HG SER A 3 -10.889 -4.713 -6.887 1.00 0.00 H new ATOM 38 N THR A 4 -7.379 -6.002 -6.833 1.00 0.00 N ATOM 39 CA THR A 4 -5.990 -5.525 -6.856 1.00 0.00 C ATOM 40 C THR A 4 -5.964 -4.037 -7.165 1.00 0.00 C ATOM 41 O THR A 4 -6.817 -3.525 -7.886 1.00 0.00 O ATOM 42 CB THR A 4 -5.157 -6.340 -7.865 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.849 -7.569 -7.273 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.808 -5.740 -8.273 1.00 0.00 C ATOM 0 H THR A 4 -8.029 -5.346 -7.266 1.00 0.00 H new ATOM 0 HA THR A 4 -5.538 -5.671 -5.875 1.00 0.00 H new ATOM 0 HB THR A 4 -5.776 -6.386 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.532 -7.791 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.316 -6.402 -8.985 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.968 -4.766 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.179 -5.624 -7.390 1.00 0.00 H new ATOM 52 N ALA A 5 -4.952 -3.353 -6.634 1.00 0.00 N ATOM 53 CA ALA A 5 -4.587 -1.981 -6.954 1.00 0.00 C ATOM 54 C ALA A 5 -3.077 -1.749 -6.732 1.00 0.00 C ATOM 55 O ALA A 5 -2.403 -2.516 -6.024 1.00 0.00 O ATOM 56 CB ALA A 5 -5.440 -1.022 -6.113 1.00 0.00 C ATOM 0 H ALA A 5 -4.335 -3.765 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.785 -1.787 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.170 0.007 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.495 -1.181 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.262 -1.210 -5.054 1.00 0.00 H new ATOM 62 N THR A 6 -2.564 -0.664 -7.327 1.00 0.00 N ATOM 63 CA THR A 6 -1.162 -0.236 -7.250 1.00 0.00 C ATOM 64 C THR A 6 -1.086 1.146 -6.631 1.00 0.00 C ATOM 65 O THR A 6 -1.886 2.019 -6.962 1.00 0.00 O ATOM 66 CB THR A 6 -0.529 -0.180 -8.640 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.760 -1.397 -9.308 1.00 0.00 O ATOM 68 CG2 THR A 6 0.980 0.041 -8.559 1.00 0.00 C ATOM 0 H THR A 6 -3.135 -0.038 -7.895 1.00 0.00 H new ATOM 0 HA THR A 6 -0.621 -0.959 -6.640 1.00 0.00 H new ATOM 0 HB THR A 6 -0.981 0.654 -9.178 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.356 -1.362 -10.200 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.397 0.076 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.183 0.983 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.438 -0.778 -8.004 1.00 0.00 H new ATOM 76 N PHE A 7 -0.088 1.357 -5.776 1.00 0.00 N ATOM 77 CA PHE A 7 0.108 2.608 -5.048 1.00 0.00 C ATOM 78 C PHE A 7 1.587 2.980 -4.957 1.00 0.00 C ATOM 79 O PHE A 7 2.454 2.122 -4.776 1.00 0.00 O ATOM 80 CB PHE A 7 -0.484 2.551 -3.632 1.00 0.00 C ATOM 81 CG PHE A 7 -1.887 1.970 -3.518 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.106 0.577 -3.603 1.00 0.00 C ATOM 83 CD2 PHE A 7 -2.993 2.836 -3.374 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.409 0.068 -3.610 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.299 2.312 -3.356 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.507 0.935 -3.504 1.00 0.00 C ATOM 0 H PHE A 7 0.619 0.652 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.420 3.373 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.184 1.962 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.496 3.562 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.265 -0.097 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.837 3.900 -3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.570 -0.996 -3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.143 2.973 -3.228 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.512 0.541 -3.537 1.00 0.00 H new ATOM 96 N ILE A 8 1.881 4.276 -5.034 1.00 0.00 N ATOM 97 CA ILE A 8 3.239 4.801 -5.072 1.00 0.00 C ATOM 98 C ILE A 8 3.381 6.008 -4.159 1.00 0.00 C ATOM 99 O ILE A 8 2.557 6.922 -4.191 1.00 0.00 O ATOM 100 CB ILE A 8 3.614 5.082 -6.540 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.134 5.323 -6.592 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.858 6.249 -7.195 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.750 5.011 -7.955 1.00 0.00 C ATOM 0 H ILE A 8 1.166 5.003 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 8 3.947 4.069 -4.684 1.00 0.00 H new ATOM 0 HB ILE A 8 3.315 4.212 -7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.339 6.363 -6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.618 4.709 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.192 6.366 -8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.788 6.042 -7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.057 7.167 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.823 5.202 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.576 3.964 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.292 5.644 -8.715 1.00 0.00 H new ATOM 115 N ILE A 9 4.427 5.973 -3.337 1.00 0.00 N ATOM 116 CA ILE A 9 4.607 6.894 -2.229 1.00 0.00 C ATOM 117 C ILE A 9 5.780 7.853 -2.449 1.00 0.00 C ATOM 118 O ILE A 9 6.912 7.420 -2.662 1.00 0.00 O ATOM 119 CB ILE A 9 4.878 6.142 -0.897 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.039 4.874 -0.563 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.755 7.210 0.218 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.346 3.575 -1.302 1.00 0.00 C ATOM 0 H ILE A 9 5.181 5.293 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 9 3.675 7.456 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 9 5.867 5.694 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.145 4.680 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.991 5.115 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.935 6.746 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.490 7.997 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.753 7.639 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.674 2.791 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.206 3.724 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.378 3.281 -1.108 1.00 0.00 H new ATOM 134 N ASP A 10 5.554 9.152 -2.294 1.00 0.00 N ATOM 135 CA ASP A 10 6.650 10.102 -2.148 1.00 0.00 C ATOM 136 C ASP A 10 6.927 10.319 -0.652 1.00 0.00 C ATOM 137 O ASP A 10 6.065 10.798 0.084 1.00 0.00 O ATOM 138 CB ASP A 10 6.375 11.423 -2.875 1.00 0.00 C ATOM 139 CG ASP A 10 7.659 12.245 -2.953 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.694 11.666 -3.367 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.616 13.419 -2.524 1.00 0.00 O ATOM 0 H ASP A 10 4.624 9.571 -2.266 1.00 0.00 H new ATOM 0 HA ASP A 10 7.540 9.686 -2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.997 11.225 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.603 11.985 -2.349 1.00 0.00 H new ATOM 146 N GLY A 11 8.127 9.943 -0.196 1.00 0.00 N ATOM 147 CA GLY A 11 8.631 10.256 1.145 1.00 0.00 C ATOM 148 C GLY A 11 9.046 9.023 1.933 1.00 0.00 C ATOM 149 O GLY A 11 9.722 9.147 2.950 1.00 0.00 O ATOM 0 H GLY A 11 8.786 9.404 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.485 10.927 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.860 10.791 1.700 1.00 0.00 H new ATOM 153 N MET A 12 8.684 7.823 1.463 1.00 0.00 N ATOM 154 CA MET A 12 9.126 6.582 2.098 1.00 0.00 C ATOM 155 C MET A 12 10.652 6.421 2.016 1.00 0.00 C ATOM 156 O MET A 12 11.272 6.749 1.008 1.00 0.00 O ATOM 157 CB MET A 12 8.353 5.365 1.555 1.00 0.00 C ATOM 158 CG MET A 12 8.991 4.595 0.399 1.00 0.00 C ATOM 159 SD MET A 12 8.189 3.017 0.057 1.00 0.00 S ATOM 160 CE MET A 12 9.657 2.057 -0.384 1.00 0.00 C ATOM 0 H MET A 12 8.087 7.688 0.647 1.00 0.00 H new ATOM 0 HA MET A 12 8.887 6.640 3.160 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.195 4.669 2.379 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.369 5.705 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.960 5.212 -0.499 1.00 0.00 H new ATOM 0 HG3 MET A 12 10.042 4.418 0.627 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.354 1.144 -0.897 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.294 2.648 -1.041 1.00 0.00 H new ATOM 0 HE3 MET A 12 10.208 1.799 0.520 1.00 0.00 H new ATOM 170 N HIS A 13 11.243 5.813 3.042 1.00 0.00 N ATOM 171 CA HIS A 13 12.689 5.613 3.232 1.00 0.00 C ATOM 172 C HIS A 13 13.396 4.752 2.156 1.00 0.00 C ATOM 173 O HIS A 13 14.571 4.436 2.309 1.00 0.00 O ATOM 174 CB HIS A 13 12.911 4.998 4.623 1.00 0.00 C ATOM 175 CG HIS A 13 12.635 5.894 5.809 1.00 0.00 C ATOM 176 ND1 HIS A 13 13.172 5.727 7.068 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.834 7.005 5.869 1.00 0.00 C ATOM 178 CE1 HIS A 13 12.701 6.704 7.861 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.880 7.502 7.171 1.00 0.00 N ATOM 0 H HIS A 13 10.699 5.422 3.811 1.00 0.00 H new ATOM 0 HA HIS A 13 13.147 6.597 3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.280 4.114 4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.945 4.659 4.685 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.266 7.422 5.051 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.950 6.827 8.905 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.383 8.318 7.528 1.00 0.00 H new ATOM 187 N CYS A 14 12.689 4.288 1.119 1.00 0.00 N ATOM 188 CA CYS A 14 13.276 3.701 -0.101 1.00 0.00 C ATOM 189 C CYS A 14 14.045 2.391 0.133 1.00 0.00 C ATOM 190 O CYS A 14 14.951 2.077 -0.630 1.00 0.00 O ATOM 191 CB CYS A 14 14.154 4.754 -0.801 1.00 0.00 C ATOM 192 SG CYS A 14 13.122 6.069 -1.504 1.00 0.00 S ATOM 0 H CYS A 14 11.669 4.309 1.100 1.00 0.00 H new ATOM 0 HA CYS A 14 12.446 3.418 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.861 5.179 -0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.740 4.282 -1.589 1.00 0.00 H new ATOM 0 HG CYS A 14 12.293 6.500 -0.600 1.00 0.00 H new ATOM 198 N LYS A 15 13.684 1.637 1.175 1.00 0.00 N ATOM 199 CA LYS A 15 14.263 0.358 1.632 1.00 0.00 C ATOM 200 C LYS A 15 13.453 -0.075 2.866 1.00 0.00 C ATOM 201 O LYS A 15 12.323 -0.510 2.685 1.00 0.00 O ATOM 202 CB LYS A 15 15.802 0.470 1.815 1.00 0.00 C ATOM 203 CG LYS A 15 16.615 -0.578 1.027 1.00 0.00 C ATOM 204 CD LYS A 15 16.976 -0.196 -0.421 1.00 0.00 C ATOM 205 CE LYS A 15 15.898 -0.514 -1.467 1.00 0.00 C ATOM 206 NZ LYS A 15 15.884 0.432 -2.613 1.00 0.00 N ATOM 0 H LYS A 15 12.913 1.926 1.777 1.00 0.00 H new ATOM 0 HA LYS A 15 14.176 -0.438 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.121 1.466 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.038 0.373 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.538 -0.778 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.049 -1.509 1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.190 0.872 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.894 -0.714 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.055 -1.525 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.921 -0.502 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.101 0.190 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.755 1.402 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.785 0.367 -3.128 1.00 0.00 H new ATOM 220 N SER A 16 13.888 0.135 4.108 1.00 0.00 N ATOM 221 CA SER A 16 13.188 -0.344 5.317 1.00 0.00 C ATOM 222 C SER A 16 11.703 0.043 5.418 1.00 0.00 C ATOM 223 O SER A 16 10.945 -0.740 5.984 1.00 0.00 O ATOM 224 CB SER A 16 13.917 0.132 6.579 1.00 0.00 C ATOM 225 OG SER A 16 15.321 -0.001 6.416 1.00 0.00 O ATOM 0 H SER A 16 14.745 0.648 4.314 1.00 0.00 H new ATOM 0 HA SER A 16 13.208 -1.430 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.665 1.173 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.587 -0.450 7.439 1.00 0.00 H new ATOM 0 HG SER A 16 15.775 0.308 7.228 1.00 0.00 H new ATOM 231 N CYS A 17 11.249 1.154 4.805 1.00 0.00 N ATOM 232 CA CYS A 17 9.830 1.469 4.681 1.00 0.00 C ATOM 233 C CYS A 17 9.019 0.291 4.129 1.00 0.00 C ATOM 234 O CYS A 17 7.962 0.023 4.681 1.00 0.00 O ATOM 235 CB CYS A 17 9.713 2.788 3.892 1.00 0.00 C ATOM 236 SG CYS A 17 9.538 4.133 5.104 1.00 0.00 S ATOM 0 H CYS A 17 11.863 1.852 4.385 1.00 0.00 H new ATOM 0 HA CYS A 17 9.373 1.629 5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.595 2.943 3.271 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.853 2.760 3.223 1.00 0.00 H new ATOM 0 HG CYS A 17 8.532 3.882 5.888 1.00 0.00 H new ATOM 242 N VAL A 18 9.540 -0.473 3.168 1.00 0.00 N ATOM 243 CA VAL A 18 8.888 -1.635 2.574 1.00 0.00 C ATOM 244 C VAL A 18 8.431 -2.671 3.598 1.00 0.00 C ATOM 245 O VAL A 18 7.311 -3.153 3.497 1.00 0.00 O ATOM 246 CB VAL A 18 9.870 -2.230 1.549 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.501 -3.652 1.107 1.00 0.00 C ATOM 248 CG2 VAL A 18 9.976 -1.192 0.415 1.00 0.00 C ATOM 0 H VAL A 18 10.461 -0.291 2.769 1.00 0.00 H new ATOM 0 HA VAL A 18 7.964 -1.319 2.090 1.00 0.00 H new ATOM 0 HB VAL A 18 10.856 -2.392 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.234 -4.010 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.493 -4.312 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.513 -3.645 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.662 -1.557 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.992 -1.034 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.348 -0.250 0.818 1.00 0.00 H new ATOM 258 N SER A 19 9.245 -2.950 4.615 1.00 0.00 N ATOM 259 CA SER A 19 8.906 -3.924 5.663 1.00 0.00 C ATOM 260 C SER A 19 7.664 -3.493 6.453 1.00 0.00 C ATOM 261 O SER A 19 6.799 -4.311 6.764 1.00 0.00 O ATOM 262 CB SER A 19 10.115 -4.006 6.606 1.00 0.00 C ATOM 263 OG SER A 19 10.143 -5.209 7.350 1.00 0.00 O ATOM 0 H SER A 19 10.157 -2.511 4.740 1.00 0.00 H new ATOM 0 HA SER A 19 8.680 -4.890 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.032 -3.922 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.094 -3.159 7.292 1.00 0.00 H new ATOM 0 HG SER A 19 10.931 -5.215 7.933 1.00 0.00 H new ATOM 269 N ASN A 20 7.534 -2.191 6.715 1.00 0.00 N ATOM 270 CA ASN A 20 6.339 -1.614 7.325 1.00 0.00 C ATOM 271 C ASN A 20 5.134 -1.677 6.390 1.00 0.00 C ATOM 272 O ASN A 20 4.050 -2.049 6.820 1.00 0.00 O ATOM 273 CB ASN A 20 6.585 -0.147 7.653 1.00 0.00 C ATOM 274 CG ASN A 20 7.802 0.076 8.528 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.159 -0.702 9.396 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.514 1.150 8.261 1.00 0.00 N ATOM 0 H ASN A 20 8.260 -1.505 6.508 1.00 0.00 H new ATOM 0 HA ASN A 20 6.129 -2.195 8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.707 0.410 6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.706 0.258 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.371 1.336 8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.209 1.796 7.533 1.00 0.00 H new ATOM 283 N ILE A 21 5.310 -1.305 5.116 1.00 0.00 N ATOM 284 CA ILE A 21 4.186 -1.206 4.170 1.00 0.00 C ATOM 285 C ILE A 21 3.584 -2.588 3.913 1.00 0.00 C ATOM 286 O ILE A 21 2.368 -2.737 3.990 1.00 0.00 O ATOM 287 CB ILE A 21 4.584 -0.523 2.844 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.575 0.662 3.024 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.272 -0.189 2.105 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.424 1.811 2.021 1.00 0.00 C ATOM 0 H ILE A 21 6.217 -1.068 4.715 1.00 0.00 H new ATOM 0 HA ILE A 21 3.431 -0.570 4.633 1.00 0.00 H new ATOM 0 HB ILE A 21 5.175 -1.195 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.454 1.064 4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.592 0.275 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.502 0.298 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.717 -1.108 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.669 0.480 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.163 2.582 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.579 1.434 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.423 2.235 2.101 1.00 0.00 H new ATOM 302 N GLU A 22 4.444 -3.584 3.714 1.00 0.00 N ATOM 303 CA GLU A 22 4.087 -4.998 3.664 1.00 0.00 C ATOM 304 C GLU A 22 3.320 -5.402 4.931 1.00 0.00 C ATOM 305 O GLU A 22 2.226 -5.948 4.837 1.00 0.00 O ATOM 306 CB GLU A 22 5.383 -5.808 3.438 1.00 0.00 C ATOM 307 CG GLU A 22 5.868 -5.663 1.975 1.00 0.00 C ATOM 308 CD GLU A 22 5.973 -6.948 1.148 1.00 0.00 C ATOM 309 OE1 GLU A 22 6.147 -8.033 1.742 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.911 -6.815 -0.098 1.00 0.00 O ATOM 0 H GLU A 22 5.442 -3.423 3.579 1.00 0.00 H new ATOM 0 HA GLU A 22 3.410 -5.209 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.159 -5.461 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.206 -6.859 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.191 -4.982 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.849 -5.187 1.988 1.00 0.00 H new ATOM 317 N SER A 23 3.817 -5.064 6.122 1.00 0.00 N ATOM 318 CA SER A 23 3.158 -5.446 7.381 1.00 0.00 C ATOM 319 C SER A 23 1.812 -4.766 7.669 1.00 0.00 C ATOM 320 O SER A 23 0.878 -5.428 8.121 1.00 0.00 O ATOM 321 CB SER A 23 4.107 -5.160 8.555 1.00 0.00 C ATOM 322 OG SER A 23 5.340 -5.845 8.424 1.00 0.00 O ATOM 0 H SER A 23 4.675 -4.526 6.246 1.00 0.00 H new ATOM 0 HA SER A 23 2.933 -6.506 7.266 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.293 -4.088 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.627 -5.454 9.488 1.00 0.00 H new ATOM 0 HG SER A 23 5.848 -5.464 7.677 1.00 0.00 H new ATOM 328 N THR A 24 1.703 -3.450 7.451 1.00 0.00 N ATOM 329 CA THR A 24 0.501 -2.650 7.732 1.00 0.00 C ATOM 330 C THR A 24 -0.613 -2.975 6.762 1.00 0.00 C ATOM 331 O THR A 24 -1.774 -3.049 7.161 1.00 0.00 O ATOM 332 CB THR A 24 0.854 -1.152 7.738 1.00 0.00 C ATOM 333 OG1 THR A 24 1.616 -0.951 8.898 1.00 0.00 O ATOM 334 CG2 THR A 24 -0.357 -0.225 7.843 1.00 0.00 C ATOM 0 H THR A 24 2.467 -2.896 7.064 1.00 0.00 H new ATOM 0 HA THR A 24 0.130 -2.907 8.724 1.00 0.00 H new ATOM 0 HB THR A 24 1.357 -0.917 6.800 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.550 -1.188 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.022 0.812 7.841 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.020 -0.394 6.994 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.894 -0.431 8.769 1.00 0.00 H new ATOM 342 N LEU A 25 -0.267 -3.176 5.495 1.00 0.00 N ATOM 343 CA LEU A 25 -1.219 -3.586 4.482 1.00 0.00 C ATOM 344 C LEU A 25 -1.594 -5.051 4.662 1.00 0.00 C ATOM 345 O LEU A 25 -2.783 -5.321 4.754 1.00 0.00 O ATOM 346 CB LEU A 25 -0.648 -3.305 3.091 1.00 0.00 C ATOM 347 CG LEU A 25 -0.581 -1.818 2.654 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.849 -1.458 1.870 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.405 -0.772 3.775 1.00 0.00 C ATOM 0 H LEU A 25 0.684 -3.058 5.146 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.136 -3.007 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.359 -3.719 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.248 -3.848 2.361 1.00 0.00 H new ATOM 0 HG LEU A 25 0.329 -1.763 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.802 -0.413 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.923 -2.093 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.724 -1.612 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.373 0.227 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.243 -0.838 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.525 -0.965 4.310 1.00 0.00 H new ATOM 361 N SER A 26 -0.646 -5.991 4.769 1.00 0.00 N ATOM 362 CA SER A 26 -0.952 -7.440 4.753 1.00 0.00 C ATOM 363 C SER A 26 -1.578 -7.950 6.072 1.00 0.00 C ATOM 364 O SER A 26 -1.621 -9.145 6.356 1.00 0.00 O ATOM 365 CB SER A 26 0.308 -8.221 4.367 1.00 0.00 C ATOM 366 OG SER A 26 0.003 -9.487 3.808 1.00 0.00 O ATOM 0 H SER A 26 0.347 -5.779 4.868 1.00 0.00 H new ATOM 0 HA SER A 26 -1.721 -7.611 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.888 -7.640 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.934 -8.356 5.249 1.00 0.00 H new ATOM 0 HG SER A 26 -0.640 -9.952 4.383 1.00 0.00 H new ATOM 372 N ALA A 27 -2.097 -7.020 6.877 1.00 0.00 N ATOM 373 CA ALA A 27 -2.887 -7.257 8.080 1.00 0.00 C ATOM 374 C ALA A 27 -4.338 -6.749 7.934 1.00 0.00 C ATOM 375 O ALA A 27 -5.122 -6.847 8.881 1.00 0.00 O ATOM 376 CB ALA A 27 -2.164 -6.560 9.241 1.00 0.00 C ATOM 0 H ALA A 27 -1.968 -6.025 6.693 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.970 -8.328 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.724 -6.713 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.164 -6.979 9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.090 -5.492 9.035 1.00 0.00 H new ATOM 382 N LEU A 28 -4.718 -6.161 6.788 1.00 0.00 N ATOM 383 CA LEU A 28 -6.024 -5.529 6.626 1.00 0.00 C ATOM 384 C LEU A 28 -7.130 -6.578 6.482 1.00 0.00 C ATOM 385 O LEU A 28 -7.027 -7.510 5.687 1.00 0.00 O ATOM 386 CB LEU A 28 -6.013 -4.562 5.430 1.00 0.00 C ATOM 387 CG LEU A 28 -5.102 -3.335 5.618 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.806 -2.655 4.276 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.757 -2.307 6.540 1.00 0.00 C ATOM 0 H LEU A 28 -4.128 -6.114 5.957 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.236 -4.951 7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.693 -5.105 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.031 -4.220 5.245 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.173 -3.694 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.161 -1.792 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.306 -3.361 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.740 -2.328 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.095 -1.449 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.702 -1.979 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.943 -2.758 7.515 1.00 0.00 H new ATOM 401 N GLN A 29 -8.235 -6.350 7.196 1.00 0.00 N ATOM 402 CA GLN A 29 -9.418 -7.218 7.317 1.00 0.00 C ATOM 403 C GLN A 29 -9.996 -7.772 6.003 1.00 0.00 C ATOM 404 O GLN A 29 -10.737 -8.745 6.041 1.00 0.00 O ATOM 405 CB GLN A 29 -10.510 -6.435 8.074 1.00 0.00 C ATOM 406 CG GLN A 29 -10.931 -5.135 7.351 1.00 0.00 C ATOM 407 CD GLN A 29 -12.082 -4.387 8.019 1.00 0.00 C ATOM 408 OE1 GLN A 29 -12.978 -3.889 7.363 1.00 0.00 O ATOM 409 NE2 GLN A 29 -12.116 -4.249 9.329 1.00 0.00 N ATOM 0 H GLN A 29 -8.338 -5.496 7.744 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.081 -8.105 7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.385 -7.073 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.147 -6.188 9.072 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.068 -4.471 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.217 -5.379 6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.378 -4.656 9.904 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.880 -3.735 9.768 1.00 0.00 H new ATOM 418 N TYR A 30 -9.672 -7.158 4.865 1.00 0.00 N ATOM 419 CA TYR A 30 -10.108 -7.538 3.526 1.00 0.00 C ATOM 420 C TYR A 30 -8.989 -7.978 2.560 1.00 0.00 C ATOM 421 O TYR A 30 -9.318 -8.387 1.451 1.00 0.00 O ATOM 422 CB TYR A 30 -10.867 -6.335 2.933 1.00 0.00 C ATOM 423 CG TYR A 30 -10.316 -4.946 3.235 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.953 -4.624 3.037 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.187 -3.964 3.747 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.489 -3.330 3.316 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.718 -2.674 4.052 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.363 -2.349 3.834 1.00 0.00 C ATOM 429 OH TYR A 30 -8.903 -1.105 4.143 1.00 0.00 O ATOM 0 H TYR A 30 -9.065 -6.338 4.855 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.732 -8.425 3.635 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.901 -6.457 1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.896 -6.375 3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.269 -5.375 2.671 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.228 -4.205 3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.454 -3.082 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.394 -1.933 4.453 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.641 -0.559 4.486 1.00 0.00 H new ATOM 439 N VAL A 31 -7.692 -7.858 2.881 1.00 0.00 N ATOM 440 CA VAL A 31 -6.632 -8.049 1.869 1.00 0.00 C ATOM 441 C VAL A 31 -6.218 -9.522 1.743 1.00 0.00 C ATOM 442 O VAL A 31 -6.084 -10.225 2.739 1.00 0.00 O ATOM 443 CB VAL A 31 -5.452 -7.062 2.013 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.565 -7.319 3.189 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.528 -7.016 0.786 1.00 0.00 C ATOM 0 H VAL A 31 -7.351 -7.634 3.816 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.069 -7.784 0.906 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.975 -6.114 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.765 -6.579 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.149 -7.249 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.134 -8.317 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.724 -6.301 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.103 -8.005 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.101 -6.709 -0.089 1.00 0.00 H new ATOM 455 N SER A 32 -6.063 -9.989 0.503 1.00 0.00 N ATOM 456 CA SER A 32 -5.699 -11.373 0.150 1.00 0.00 C ATOM 457 C SER A 32 -4.177 -11.557 0.054 1.00 0.00 C ATOM 458 O SER A 32 -3.641 -12.610 0.398 1.00 0.00 O ATOM 459 CB SER A 32 -6.354 -11.699 -1.206 1.00 0.00 C ATOM 460 OG SER A 32 -5.829 -12.865 -1.807 1.00 0.00 O ATOM 0 H SER A 32 -6.191 -9.396 -0.317 1.00 0.00 H new ATOM 0 HA SER A 32 -6.053 -12.047 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.428 -11.822 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.216 -10.855 -1.882 1.00 0.00 H new ATOM 0 HG SER A 32 -5.723 -12.717 -2.770 1.00 0.00 H new ATOM 466 N SER A 33 -3.460 -10.525 -0.397 1.00 0.00 N ATOM 467 CA SER A 33 -2.047 -10.567 -0.782 1.00 0.00 C ATOM 468 C SER A 33 -1.488 -9.170 -1.118 1.00 0.00 C ATOM 469 O SER A 33 -2.196 -8.162 -1.158 1.00 0.00 O ATOM 470 CB SER A 33 -1.877 -11.530 -1.969 1.00 0.00 C ATOM 471 OG SER A 33 -1.769 -12.861 -1.504 1.00 0.00 O ATOM 0 H SER A 33 -3.866 -9.596 -0.509 1.00 0.00 H new ATOM 0 HA SER A 33 -1.471 -10.929 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.728 -11.441 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.988 -11.263 -2.540 1.00 0.00 H new ATOM 0 HG SER A 33 -2.261 -12.954 -0.662 1.00 0.00 H new ATOM 477 N ILE A 34 -0.192 -9.106 -1.399 1.00 0.00 N ATOM 478 CA ILE A 34 0.617 -7.895 -1.606 1.00 0.00 C ATOM 479 C ILE A 34 2.022 -8.279 -2.084 1.00 0.00 C ATOM 480 O ILE A 34 2.472 -9.389 -1.814 1.00 0.00 O ATOM 481 CB ILE A 34 0.675 -7.028 -0.312 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.431 -5.694 -0.529 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.300 -7.797 0.869 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.178 -4.651 0.561 1.00 0.00 C ATOM 0 H ILE A 34 0.367 -9.954 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 34 0.144 -7.289 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.361 -6.794 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.500 -5.899 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.140 -5.276 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.321 -7.156 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.705 -8.685 1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.317 -8.094 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.743 -3.746 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.115 -4.415 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.496 -5.048 1.525 1.00 0.00 H new ATOM 496 N VAL A 35 2.672 -7.358 -2.796 1.00 0.00 N ATOM 497 CA VAL A 35 4.101 -7.341 -3.138 1.00 0.00 C ATOM 498 C VAL A 35 4.553 -5.896 -3.194 1.00 0.00 C ATOM 499 O VAL A 35 3.974 -5.087 -3.918 1.00 0.00 O ATOM 500 CB VAL A 35 4.414 -7.988 -4.506 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.808 -7.635 -5.073 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.382 -9.510 -4.348 1.00 0.00 C ATOM 0 H VAL A 35 2.184 -6.547 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 35 4.622 -7.920 -2.376 1.00 0.00 H new ATOM 0 HB VAL A 35 3.662 -7.603 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.946 -8.130 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.884 -6.556 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.579 -7.970 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.601 -9.980 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.129 -9.815 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.393 -9.820 -4.010 1.00 0.00 H new ATOM 512 N VAL A 36 5.628 -5.600 -2.483 1.00 0.00 N ATOM 513 CA VAL A 36 6.321 -4.311 -2.579 1.00 0.00 C ATOM 514 C VAL A 36 7.593 -4.418 -3.416 1.00 0.00 C ATOM 515 O VAL A 36 8.432 -5.301 -3.240 1.00 0.00 O ATOM 516 CB VAL A 36 6.627 -3.722 -1.193 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.514 -2.475 -1.283 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.362 -3.207 -0.508 1.00 0.00 C ATOM 0 H VAL A 36 6.053 -6.246 -1.817 1.00 0.00 H new ATOM 0 HA VAL A 36 5.643 -3.625 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 36 7.103 -4.537 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.705 -2.091 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.460 -2.735 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.009 -1.711 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.618 -2.798 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.909 -2.427 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.656 -4.028 -0.384 1.00 0.00 H new ATOM 528 N SER A 37 7.765 -3.424 -4.283 1.00 0.00 N ATOM 529 CA SER A 37 9.010 -3.207 -5.013 1.00 0.00 C ATOM 530 C SER A 37 10.055 -2.562 -4.094 1.00 0.00 C ATOM 531 O SER A 37 10.108 -1.335 -3.989 1.00 0.00 O ATOM 532 CB SER A 37 8.778 -2.299 -6.226 1.00 0.00 C ATOM 533 OG SER A 37 8.324 -3.028 -7.347 1.00 0.00 O ATOM 0 H SER A 37 7.039 -2.742 -4.500 1.00 0.00 H new ATOM 0 HA SER A 37 9.372 -4.175 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.047 -1.532 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.705 -1.785 -6.478 1.00 0.00 H new ATOM 0 HG SER A 37 8.185 -2.417 -8.100 1.00 0.00 H new ATOM 539 N LEU A 38 10.921 -3.370 -3.460 1.00 0.00 N ATOM 540 CA LEU A 38 11.979 -2.865 -2.571 1.00 0.00 C ATOM 541 C LEU A 38 12.888 -1.839 -3.230 1.00 0.00 C ATOM 542 O LEU A 38 13.338 -0.894 -2.589 1.00 0.00 O ATOM 543 CB LEU A 38 12.823 -4.001 -1.987 1.00 0.00 C ATOM 544 CG LEU A 38 13.744 -3.462 -0.865 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.006 -2.774 0.285 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.562 -4.546 -0.207 1.00 0.00 C ATOM 0 H LEU A 38 10.907 -4.386 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 38 11.450 -2.359 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.172 -4.780 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.424 -4.458 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 38 14.365 -2.746 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.728 -2.428 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.445 -1.923 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.319 -3.481 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.188 -4.108 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.896 -5.286 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.194 -5.028 -0.953 1.00 0.00 H new ATOM 558 N GLU A 39 13.195 -2.065 -4.497 1.00 0.00 N ATOM 559 CA GLU A 39 13.963 -1.159 -5.331 1.00 0.00 C ATOM 560 C GLU A 39 13.376 0.265 -5.290 1.00 0.00 C ATOM 561 O GLU A 39 14.098 1.229 -5.042 1.00 0.00 O ATOM 562 CB GLU A 39 13.929 -1.723 -6.760 1.00 0.00 C ATOM 563 CG GLU A 39 14.839 -0.956 -7.713 1.00 0.00 C ATOM 564 CD GLU A 39 14.471 -1.293 -9.154 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.790 -2.426 -9.570 1.00 0.00 O ATOM 566 OE2 GLU A 39 13.836 -0.421 -9.788 1.00 0.00 O ATOM 0 H GLU A 39 12.907 -2.912 -4.988 1.00 0.00 H new ATOM 0 HA GLU A 39 14.989 -1.085 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.229 -2.771 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.906 -1.691 -7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.740 0.116 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.881 -1.214 -7.523 1.00 0.00 H new ATOM 573 N ASN A 40 12.057 0.343 -5.476 1.00 0.00 N ATOM 574 CA ASN A 40 11.213 1.513 -5.711 1.00 0.00 C ATOM 575 C ASN A 40 10.535 2.045 -4.438 1.00 0.00 C ATOM 576 O ASN A 40 10.851 1.676 -3.307 1.00 0.00 O ATOM 577 CB ASN A 40 10.141 1.148 -6.762 1.00 0.00 C ATOM 578 CG ASN A 40 10.701 0.467 -7.997 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.130 -0.500 -8.477 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.825 0.946 -8.492 1.00 0.00 N ATOM 0 H ASN A 40 11.494 -0.507 -5.464 1.00 0.00 H new ATOM 0 HA ASN A 40 11.860 2.314 -6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.402 0.493 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.618 2.055 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.251 0.506 -9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.268 1.756 -8.059 1.00 0.00 H new ATOM 587 N ARG A 41 9.604 2.988 -4.646 1.00 0.00 N ATOM 588 CA ARG A 41 8.709 3.534 -3.620 1.00 0.00 C ATOM 589 C ARG A 41 7.249 3.058 -3.790 1.00 0.00 C ATOM 590 O ARG A 41 6.332 3.846 -3.579 1.00 0.00 O ATOM 591 CB ARG A 41 8.796 5.070 -3.609 1.00 0.00 C ATOM 592 CG ARG A 41 10.205 5.654 -3.493 1.00 0.00 C ATOM 593 CD ARG A 41 10.515 6.564 -4.678 1.00 0.00 C ATOM 594 NE ARG A 41 10.296 8.001 -4.378 1.00 0.00 N ATOM 595 CZ ARG A 41 11.222 8.881 -4.008 1.00 0.00 C ATOM 596 NH1 ARG A 41 12.477 8.518 -3.829 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.915 10.146 -3.798 1.00 0.00 N ATOM 0 H ARG A 41 9.450 3.404 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 41 9.044 3.152 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.340 5.448 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.198 5.443 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.295 6.217 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.936 4.846 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.551 6.416 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.891 6.276 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 41 9.341 8.348 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.753 7.547 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.172 9.208 -3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.954 10.464 -3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.639 10.806 -3.515 1.00 0.00 H new ATOM 611 N SER A 42 6.985 1.826 -4.238 1.00 0.00 N ATOM 612 CA SER A 42 5.628 1.398 -4.633 1.00 0.00 C ATOM 613 C SER A 42 5.257 -0.043 -4.280 1.00 0.00 C ATOM 614 O SER A 42 6.103 -0.938 -4.257 1.00 0.00 O ATOM 615 CB SER A 42 5.448 1.532 -6.149 1.00 0.00 C ATOM 616 OG SER A 42 6.575 1.045 -6.863 1.00 0.00 O ATOM 0 H SER A 42 7.694 1.100 -4.338 1.00 0.00 H new ATOM 0 HA SER A 42 4.976 2.057 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.558 0.984 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.282 2.579 -6.403 1.00 0.00 H new ATOM 0 HG SER A 42 6.421 1.146 -7.826 1.00 0.00 H new ATOM 622 N ALA A 43 3.951 -0.256 -4.111 1.00 0.00 N ATOM 623 CA ALA A 43 3.316 -1.489 -3.653 1.00 0.00 C ATOM 624 C ALA A 43 2.193 -1.910 -4.607 1.00 0.00 C ATOM 625 O ALA A 43 1.371 -1.093 -5.017 1.00 0.00 O ATOM 626 CB ALA A 43 2.736 -1.214 -2.253 1.00 0.00 C ATOM 0 H ALA A 43 3.267 0.476 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 43 4.046 -2.298 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.252 -2.115 -1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.540 -0.924 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.005 -0.408 -2.314 1.00 0.00 H new ATOM 632 N ILE A 44 2.130 -3.196 -4.926 1.00 0.00 N ATOM 633 CA ILE A 44 1.021 -3.835 -5.635 1.00 0.00 C ATOM 634 C ILE A 44 0.295 -4.660 -4.573 1.00 0.00 C ATOM 635 O ILE A 44 0.889 -5.550 -3.964 1.00 0.00 O ATOM 636 CB ILE A 44 1.549 -4.677 -6.816 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.257 -3.756 -7.842 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.381 -5.434 -7.476 1.00 0.00 C ATOM 639 CD1 ILE A 44 3.022 -4.520 -8.931 1.00 0.00 C ATOM 0 H ILE A 44 2.876 -3.850 -4.691 1.00 0.00 H new ATOM 0 HA ILE A 44 0.334 -3.122 -6.091 1.00 0.00 H new ATOM 0 HB ILE A 44 2.272 -5.406 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.513 -3.114 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.951 -3.103 -7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.757 -6.028 -8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.086 -6.092 -6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.355 -4.719 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.491 -3.810 -9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.789 -5.141 -8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.329 -5.152 -9.487 1.00 0.00 H new ATOM 651 N VAL A 45 -0.961 -4.313 -4.310 1.00 0.00 N ATOM 652 CA VAL A 45 -1.757 -4.813 -3.181 1.00 0.00 C ATOM 653 C VAL A 45 -2.967 -5.543 -3.754 1.00 0.00 C ATOM 654 O VAL A 45 -3.631 -5.006 -4.638 1.00 0.00 O ATOM 655 CB VAL A 45 -2.229 -3.656 -2.280 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.852 -4.231 -0.996 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.093 -2.687 -1.901 1.00 0.00 C ATOM 0 H VAL A 45 -1.475 -3.654 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.149 -5.481 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.963 -3.086 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.187 -3.414 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.703 -4.861 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.108 -4.826 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.488 -1.894 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.316 -3.230 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.670 -2.250 -2.806 1.00 0.00 H new ATOM 667 N VAL A 46 -3.252 -6.746 -3.261 1.00 0.00 N ATOM 668 CA VAL A 46 -4.229 -7.680 -3.831 1.00 0.00 C ATOM 669 C VAL A 46 -5.299 -7.915 -2.763 1.00 0.00 C ATOM 670 O VAL A 46 -5.056 -8.618 -1.789 1.00 0.00 O ATOM 671 CB VAL A 46 -3.512 -8.996 -4.222 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.448 -10.054 -4.815 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.314 -8.769 -5.166 1.00 0.00 C ATOM 0 H VAL A 46 -2.796 -7.113 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.694 -7.283 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.136 -9.384 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.876 -10.947 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.218 -10.308 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.917 -9.660 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.852 -9.727 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.659 -8.294 -6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.583 -8.125 -4.677 1.00 0.00 H new ATOM 683 N TYR A 47 -6.460 -7.270 -2.879 1.00 0.00 N ATOM 684 CA TYR A 47 -7.474 -7.208 -1.814 1.00 0.00 C ATOM 685 C TYR A 47 -8.841 -7.757 -2.229 1.00 0.00 C ATOM 686 O TYR A 47 -9.310 -7.504 -3.332 1.00 0.00 O ATOM 687 CB TYR A 47 -7.622 -5.765 -1.310 1.00 0.00 C ATOM 688 CG TYR A 47 -8.243 -4.810 -2.312 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.451 -4.237 -3.324 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.621 -4.519 -2.257 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.014 -3.331 -4.238 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.194 -3.641 -3.196 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.386 -3.018 -4.169 1.00 0.00 C ATOM 694 OH TYR A 47 -9.927 -2.114 -5.031 1.00 0.00 O ATOM 0 H TYR A 47 -6.731 -6.768 -3.724 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.113 -7.855 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.231 -5.770 -0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.638 -5.389 -1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.405 -4.495 -3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.238 -4.970 -1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.394 -2.874 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.256 -3.444 -3.171 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.884 -2.018 -4.846 1.00 0.00 H new ATOM 704 N ASN A 48 -9.531 -8.456 -1.334 1.00 0.00 N ATOM 705 CA ASN A 48 -10.850 -9.008 -1.604 1.00 0.00 C ATOM 706 C ASN A 48 -11.948 -7.966 -1.318 1.00 0.00 C ATOM 707 O ASN A 48 -11.969 -7.352 -0.252 1.00 0.00 O ATOM 708 CB ASN A 48 -11.040 -10.296 -0.788 1.00 0.00 C ATOM 709 CG ASN A 48 -12.158 -11.119 -1.405 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.299 -10.680 -1.479 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.836 -12.271 -1.951 1.00 0.00 N ATOM 0 H ASN A 48 -9.187 -8.656 -0.395 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.932 -9.263 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.114 -10.871 -0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.280 -10.053 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.542 -12.815 -2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.880 -12.620 -1.879 1.00 0.00 H new ATOM 780 N PRO A 54 -10.244 1.906 -3.699 1.00 0.00 N ATOM 781 CA PRO A 54 -8.798 1.695 -3.514 1.00 0.00 C ATOM 782 C PRO A 54 -8.163 2.735 -2.579 1.00 0.00 C ATOM 783 O PRO A 54 -7.152 2.438 -1.949 1.00 0.00 O ATOM 784 CB PRO A 54 -8.188 1.721 -4.919 1.00 0.00 C ATOM 785 CG PRO A 54 -9.182 2.553 -5.727 1.00 0.00 C ATOM 786 CD PRO A 54 -10.523 2.172 -5.103 1.00 0.00 C ATOM 0 HA PRO A 54 -8.605 0.743 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.196 2.172 -4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.080 0.716 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.983 3.621 -5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.145 2.309 -6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.248 2.978 -5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.946 1.294 -5.591 1.00 0.00 H new ATOM 794 N GLU A 55 -8.794 3.905 -2.409 1.00 0.00 N ATOM 795 CA GLU A 55 -8.478 4.910 -1.383 1.00 0.00 C ATOM 796 C GLU A 55 -8.320 4.300 0.021 1.00 0.00 C ATOM 797 O GLU A 55 -7.603 4.848 0.848 1.00 0.00 O ATOM 798 CB GLU A 55 -9.616 5.956 -1.373 1.00 0.00 C ATOM 799 CG GLU A 55 -9.562 7.086 -0.327 1.00 0.00 C ATOM 800 CD GLU A 55 -8.418 8.077 -0.508 1.00 0.00 C ATOM 801 OE1 GLU A 55 -7.436 7.776 -1.210 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.469 9.174 0.090 1.00 0.00 O ATOM 0 H GLU A 55 -9.570 4.189 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.520 5.365 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.651 6.418 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.557 5.422 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.504 7.633 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.483 6.640 0.664 1.00 0.00 H new ATOM 809 N SER A 56 -8.964 3.164 0.311 1.00 0.00 N ATOM 810 CA SER A 56 -8.870 2.504 1.616 1.00 0.00 C ATOM 811 C SER A 56 -7.483 1.896 1.875 1.00 0.00 C ATOM 812 O SER A 56 -6.917 2.055 2.959 1.00 0.00 O ATOM 813 CB SER A 56 -9.937 1.410 1.744 1.00 0.00 C ATOM 814 OG SER A 56 -9.849 0.455 0.699 1.00 0.00 O ATOM 0 H SER A 56 -9.565 2.677 -0.354 1.00 0.00 H new ATOM 0 HA SER A 56 -9.038 3.277 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.827 0.907 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.927 1.867 1.735 1.00 0.00 H new ATOM 0 HG SER A 56 -10.544 -0.225 0.818 1.00 0.00 H new ATOM 820 N LEU A 57 -6.896 1.245 0.863 1.00 0.00 N ATOM 821 CA LEU A 57 -5.504 0.809 0.911 1.00 0.00 C ATOM 822 C LEU A 57 -4.552 2.014 0.874 1.00 0.00 C ATOM 823 O LEU A 57 -3.623 2.052 1.676 1.00 0.00 O ATOM 824 CB LEU A 57 -5.205 -0.137 -0.254 1.00 0.00 C ATOM 825 CG LEU A 57 -6.061 -1.414 -0.391 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.531 -2.183 -1.604 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.046 -2.353 0.824 1.00 0.00 C ATOM 0 H LEU A 57 -7.374 1.009 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.345 0.276 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.304 0.431 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.161 -0.442 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.096 -1.088 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.111 -3.096 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.621 -1.563 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.483 -2.438 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.679 -3.218 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.026 -2.686 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.423 -1.823 1.698 1.00 0.00 H new ATOM 839 N ARG A 58 -4.794 3.019 0.014 1.00 0.00 N ATOM 840 CA ARG A 58 -4.004 4.264 -0.046 1.00 0.00 C ATOM 841 C ARG A 58 -3.858 4.892 1.344 1.00 0.00 C ATOM 842 O ARG A 58 -2.750 5.220 1.767 1.00 0.00 O ATOM 843 CB ARG A 58 -4.644 5.237 -1.057 1.00 0.00 C ATOM 844 CG ARG A 58 -3.729 6.384 -1.521 1.00 0.00 C ATOM 845 CD ARG A 58 -3.676 7.651 -0.646 1.00 0.00 C ATOM 846 NE ARG A 58 -4.875 8.485 -0.795 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.958 9.808 -0.836 1.00 0.00 C ATOM 848 NH1 ARG A 58 -3.944 10.617 -0.621 1.00 0.00 N ATOM 849 NH2 ARG A 58 -6.131 10.341 -1.083 1.00 0.00 N ATOM 0 H ARG A 58 -5.552 2.990 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.996 4.032 -0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.964 4.671 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.541 5.665 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.716 5.992 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.042 6.680 -2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.565 7.363 0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.795 8.236 -0.911 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.758 7.982 -0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.023 10.235 -0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.078 11.627 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.942 9.741 -1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.232 11.355 -1.122 1.00 0.00 H new ATOM 863 N LYS A 59 -4.963 4.993 2.088 1.00 0.00 N ATOM 864 CA LYS A 59 -4.977 5.442 3.477 1.00 0.00 C ATOM 865 C LYS A 59 -4.363 4.466 4.485 1.00 0.00 C ATOM 866 O LYS A 59 -3.816 4.953 5.465 1.00 0.00 O ATOM 867 CB LYS A 59 -6.403 5.882 3.839 1.00 0.00 C ATOM 868 CG LYS A 59 -6.572 7.404 3.717 1.00 0.00 C ATOM 869 CD LYS A 59 -6.094 8.024 2.393 1.00 0.00 C ATOM 870 CE LYS A 59 -6.064 9.553 2.462 1.00 0.00 C ATOM 871 NZ LYS A 59 -7.413 10.150 2.388 1.00 0.00 N ATOM 0 H LYS A 59 -5.890 4.760 1.732 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.304 6.297 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.116 5.382 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.633 5.570 4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.626 7.646 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.030 7.878 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.098 7.651 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.754 7.709 1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.584 9.862 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.455 9.938 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.364 11.153 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.776 10.069 1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.051 9.648 3.038 1.00 0.00 H new ATOM 885 N ALA A 60 -4.340 3.149 4.259 1.00 0.00 N ATOM 886 CA ALA A 60 -3.536 2.258 5.101 1.00 0.00 C ATOM 887 C ALA A 60 -2.035 2.558 4.919 1.00 0.00 C ATOM 888 O ALA A 60 -1.293 2.623 5.894 1.00 0.00 O ATOM 889 CB ALA A 60 -3.894 0.801 4.791 1.00 0.00 C ATOM 0 H ALA A 60 -4.858 2.683 3.515 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.761 2.433 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.296 0.138 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.952 0.635 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.689 0.591 3.741 1.00 0.00 H new ATOM 895 N ILE A 61 -1.603 2.848 3.683 1.00 0.00 N ATOM 896 CA ILE A 61 -0.224 3.279 3.397 1.00 0.00 C ATOM 897 C ILE A 61 0.070 4.644 4.043 1.00 0.00 C ATOM 898 O ILE A 61 0.960 4.734 4.887 1.00 0.00 O ATOM 899 CB ILE A 61 0.102 3.263 1.879 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.257 1.941 1.176 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.608 3.504 1.695 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.196 1.995 -0.353 1.00 0.00 C ATOM 0 H ILE A 61 -2.196 2.791 2.855 1.00 0.00 H new ATOM 0 HA ILE A 61 0.445 2.548 3.852 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.506 4.045 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.421 1.163 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.263 1.647 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.851 3.495 0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.876 4.471 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.167 2.717 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.464 1.021 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.895 2.747 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.814 2.256 -0.668 1.00 0.00 H new ATOM 914 N GLU A 62 -0.711 5.688 3.748 1.00 0.00 N ATOM 915 CA GLU A 62 -0.581 7.003 4.387 1.00 0.00 C ATOM 916 C GLU A 62 -0.704 6.963 5.917 1.00 0.00 C ATOM 917 O GLU A 62 -0.183 7.860 6.568 1.00 0.00 O ATOM 918 CB GLU A 62 -1.590 8.003 3.790 1.00 0.00 C ATOM 919 CG GLU A 62 -1.147 8.382 2.379 1.00 0.00 C ATOM 920 CD GLU A 62 -2.005 9.396 1.630 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.198 9.566 1.956 1.00 0.00 O ATOM 922 OE2 GLU A 62 -1.491 9.921 0.609 1.00 0.00 O ATOM 0 H GLU A 62 -1.457 5.645 3.054 1.00 0.00 H new ATOM 0 HA GLU A 62 0.433 7.339 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.586 7.561 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.652 8.893 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.132 8.775 2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.102 7.471 1.782 1.00 0.00 H new ATOM 929 N ALA A 63 -1.290 5.917 6.511 1.00 0.00 N ATOM 930 CA ALA A 63 -1.354 5.741 7.965 1.00 0.00 C ATOM 931 C ALA A 63 -0.162 4.988 8.580 1.00 0.00 C ATOM 932 O ALA A 63 -0.115 4.847 9.799 1.00 0.00 O ATOM 933 CB ALA A 63 -2.693 5.091 8.330 1.00 0.00 C ATOM 0 H ALA A 63 -1.737 5.162 5.990 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.285 6.735 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.750 4.956 9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.511 5.733 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.773 4.121 7.839 1.00 0.00 H new ATOM 939 N VAL A 64 0.818 4.569 7.776 1.00 0.00 N ATOM 940 CA VAL A 64 2.043 3.896 8.254 1.00 0.00 C ATOM 941 C VAL A 64 3.144 4.904 8.566 1.00 0.00 C ATOM 942 O VAL A 64 3.942 4.711 9.480 1.00 0.00 O ATOM 943 CB VAL A 64 2.556 2.803 7.288 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.539 3.228 6.212 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.293 1.739 8.110 1.00 0.00 C ATOM 0 H VAL A 64 0.790 4.685 6.763 1.00 0.00 H new ATOM 0 HA VAL A 64 1.764 3.388 9.177 1.00 0.00 H new ATOM 0 HB VAL A 64 1.653 2.471 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.814 2.363 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.078 3.983 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.432 3.644 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.663 0.958 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.132 2.199 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.609 1.302 8.837 1.00 0.00 H new ATOM 955 N SER A 65 3.187 6.005 7.816 1.00 0.00 N ATOM 956 CA SER A 65 4.023 7.154 8.138 1.00 0.00 C ATOM 957 C SER A 65 3.344 8.479 7.722 1.00 0.00 C ATOM 958 O SER A 65 3.799 9.153 6.796 1.00 0.00 O ATOM 959 CB SER A 65 5.458 6.969 7.623 1.00 0.00 C ATOM 960 OG SER A 65 5.919 5.625 7.560 1.00 0.00 O ATOM 0 H SER A 65 2.639 6.122 6.964 1.00 0.00 H new ATOM 0 HA SER A 65 4.126 7.222 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.526 7.405 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.132 7.536 8.266 1.00 0.00 H new ATOM 0 HG SER A 65 6.064 5.372 6.624 1.00 0.00 H new ATOM 966 N PRO A 66 2.229 8.848 8.383 1.00 0.00 N ATOM 967 CA PRO A 66 1.462 10.054 8.089 1.00 0.00 C ATOM 968 C PRO A 66 2.303 11.321 8.226 1.00 0.00 C ATOM 969 O PRO A 66 3.127 11.446 9.131 1.00 0.00 O ATOM 970 CB PRO A 66 0.248 10.041 9.032 1.00 0.00 C ATOM 971 CG PRO A 66 0.605 9.007 10.102 1.00 0.00 C ATOM 972 CD PRO A 66 1.505 8.039 9.345 1.00 0.00 C ATOM 0 HA PRO A 66 1.133 10.060 7.050 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.076 11.024 9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.664 9.765 8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.120 9.461 10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.281 8.511 10.497 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.190 7.530 10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.918 7.268 8.846 1.00 0.00 H new ATOM 980 N GLY A 67 2.105 12.250 7.284 1.00 0.00 N ATOM 981 CA GLY A 67 2.891 13.484 7.139 1.00 0.00 C ATOM 982 C GLY A 67 4.185 13.284 6.342 1.00 0.00 C ATOM 983 O GLY A 67 4.586 14.175 5.595 1.00 0.00 O ATOM 0 H GLY A 67 1.372 12.163 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.281 14.240 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.137 13.869 8.129 1.00 0.00 H new ATOM 987 N LEU A 68 4.818 12.113 6.461 1.00 0.00 N ATOM 988 CA LEU A 68 5.947 11.714 5.620 1.00 0.00 C ATOM 989 C LEU A 68 5.442 11.238 4.252 1.00 0.00 C ATOM 990 O LEU A 68 5.962 11.655 3.222 1.00 0.00 O ATOM 991 CB LEU A 68 6.759 10.639 6.362 1.00 0.00 C ATOM 992 CG LEU A 68 7.999 10.151 5.596 1.00 0.00 C ATOM 993 CD1 LEU A 68 9.040 11.263 5.435 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.607 8.978 6.362 1.00 0.00 C ATOM 0 H LEU A 68 4.557 11.409 7.152 1.00 0.00 H new ATOM 0 HA LEU A 68 6.606 12.561 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.074 11.038 7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.112 9.786 6.566 1.00 0.00 H new ATOM 0 HG LEU A 68 7.696 9.843 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.901 10.879 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.602 12.095 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.359 11.608 6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.489 8.617 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.891 9.305 7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.875 8.174 6.437 1.00 0.00 H new ATOM 1006 N TYR A 69 4.419 10.383 4.252 1.00 0.00 N ATOM 1007 CA TYR A 69 3.895 9.672 3.085 1.00 0.00 C ATOM 1008 C TYR A 69 2.885 10.483 2.268 1.00 0.00 C ATOM 1009 O TYR A 69 1.818 10.863 2.752 1.00 0.00 O ATOM 1010 CB TYR A 69 3.215 8.381 3.549 1.00 0.00 C ATOM 1011 CG TYR A 69 4.135 7.204 3.786 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.489 7.350 4.140 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.612 5.919 3.603 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.286 6.217 4.365 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.421 4.787 3.707 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.754 4.926 4.148 1.00 0.00 C ATOM 1017 OH TYR A 69 6.502 3.828 4.425 1.00 0.00 O ATOM 0 H TYR A 69 3.909 10.157 5.106 1.00 0.00 H new ATOM 0 HA TYR A 69 4.748 9.475 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.675 8.588 4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.473 8.095 2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.916 8.337 4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.562 5.801 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.305 6.332 4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.030 3.813 3.452 1.00 0.00 H new ATOM 0 HH TYR A 69 7.453 4.055 4.358 1.00 0.00 H new ATOM 1027 N ARG A 70 3.196 10.656 0.986 1.00 0.00 N ATOM 1028 CA ARG A 70 2.312 11.200 -0.043 1.00 0.00 C ATOM 1029 C ARG A 70 1.958 10.079 -1.016 1.00 0.00 C ATOM 1030 O ARG A 70 2.834 9.701 -1.789 1.00 0.00 O ATOM 1031 CB ARG A 70 3.098 12.267 -0.815 1.00 0.00 C ATOM 1032 CG ARG A 70 3.239 13.616 -0.096 1.00 0.00 C ATOM 1033 CD ARG A 70 4.434 13.688 0.870 1.00 0.00 C ATOM 1034 NE ARG A 70 5.731 13.827 0.174 1.00 0.00 N ATOM 1035 CZ ARG A 70 6.908 14.028 0.756 1.00 0.00 C ATOM 1036 NH1 ARG A 70 7.074 13.954 2.060 1.00 0.00 N ATOM 1037 NH2 ARG A 70 7.963 14.302 0.023 1.00 0.00 N ATOM 0 H ARG A 70 4.115 10.409 0.618 1.00 0.00 H new ATOM 0 HA ARG A 70 1.410 11.619 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.094 11.880 -1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.609 12.433 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.340 14.405 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.323 13.817 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.298 14.533 1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.452 12.788 1.485 1.00 0.00 H new ATOM 0 HE ARG A 70 5.721 13.763 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.281 13.735 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.995 14.115 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.878 14.360 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.867 14.457 0.469 1.00 0.00 H new ATOM 1051 N VAL A 71 0.755 9.512 -0.996 1.00 0.00 N ATOM 1052 CA VAL A 71 0.489 8.284 -1.777 1.00 0.00 C ATOM 1053 C VAL A 71 -0.456 8.560 -2.945 1.00 0.00 C ATOM 1054 O VAL A 71 -1.478 9.228 -2.797 1.00 0.00 O ATOM 1055 CB VAL A 71 0.014 7.113 -0.896 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.004 5.789 -1.680 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.981 6.935 0.284 1.00 0.00 C ATOM 0 H VAL A 71 -0.041 9.864 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 71 1.440 7.965 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.994 7.348 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.344 4.985 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.681 5.878 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.001 5.565 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.645 6.107 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.981 6.723 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.004 7.849 0.877 1.00 0.00 H new ATOM 1067 N SER A 72 -0.119 8.023 -4.121 1.00 0.00 N ATOM 1068 CA SER A 72 -0.993 8.064 -5.299 1.00 0.00 C ATOM 1069 C SER A 72 -1.224 6.667 -5.885 1.00 0.00 C ATOM 1070 O SER A 72 -0.436 5.749 -5.673 1.00 0.00 O ATOM 1071 CB SER A 72 -0.464 9.054 -6.349 1.00 0.00 C ATOM 1072 OG SER A 72 0.829 8.739 -6.836 1.00 0.00 O ATOM 0 H SER A 72 0.768 7.547 -4.284 1.00 0.00 H new ATOM 0 HA SER A 72 -1.967 8.429 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.160 9.085 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.444 10.053 -5.914 1.00 0.00 H new ATOM 0 HG SER A 72 1.101 9.407 -7.499 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.334 6.494 -6.603 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.703 5.258 -7.306 1.00 0.00 C ATOM 1080 C ILE A 73 -2.204 5.329 -8.742 1.00 0.00 C ATOM 1081 O ILE A 73 -2.553 6.238 -9.490 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.238 5.049 -7.252 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.713 4.882 -5.791 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.677 3.837 -8.100 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.231 4.985 -5.606 1.00 0.00 C ATOM 0 H ILE A 73 -3.027 7.234 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.236 4.403 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.705 5.938 -7.675 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.379 3.913 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.231 5.642 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.759 3.722 -8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.388 3.996 -9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.194 2.935 -7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.479 4.856 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.573 5.964 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.722 4.208 -6.192 1.00 0.00 H new ATOM 1097 N THR A 74 -1.375 4.357 -9.121 1.00 0.00 N ATOM 1098 CA THR A 74 -0.787 4.284 -10.456 1.00 0.00 C ATOM 1099 C THR A 74 -1.758 3.603 -11.421 1.00 0.00 C ATOM 1100 O THR A 74 -1.906 2.385 -11.387 1.00 0.00 O ATOM 1101 CB THR A 74 0.576 3.573 -10.390 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.142 3.655 -9.097 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.548 4.285 -11.313 1.00 0.00 C ATOM 0 H THR A 74 -1.091 3.594 -8.506 1.00 0.00 H new ATOM 0 HA THR A 74 -0.609 5.289 -10.838 1.00 0.00 H new ATOM 0 HB THR A 74 0.413 2.532 -10.667 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.006 3.192 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.518 3.788 -11.273 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.167 4.257 -12.334 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.658 5.322 -10.995 1.00 0.00 H new