USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=25 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 HD1:sc= -0.144 X(o=3.3,f=3.1) USER MOD Set 1.2: A 17 CYS SG : rot -156:sc= 0.54 USER MOD Set 1.3: A 65 SER OG : rot 116:sc= 1.75 USER MOD Set 1.4: A 69 TYR OH : rot 2:sc= 1.2 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.4) USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= 0.0811 USER MOD Set 3.2: A 15 LYS NZ :NH3+ -165:sc= 1.36 (180deg=0.957) USER MOD Set 4.1: A 3 SER OG : rot -115:sc= 0.0329 USER MOD Set 4.2: A 47 TYR OH : rot -115:sc= 0.401 USER MOD Single : A 4 THR OG1 : rot 18:sc= 0.278 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 146:sc= -0.183 (180deg=-4.04!) 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 F(o=-1.1,f=0) USER MOD Single : A 23 SER OG : rot 88:sc= 1.3 USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.078 USER MOD Single : A 26 SER OG : rot -46:sc= 0.782 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 -144:sc= 1.28 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.027 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.18) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -11.029 -11.741 -5.503 1.00 0.00 N ATOM 16 CA ASP A 2 -10.702 -10.493 -4.825 1.00 0.00 C ATOM 17 C ASP A 2 -10.534 -9.323 -5.820 1.00 0.00 C ATOM 18 O ASP A 2 -10.912 -9.409 -6.988 1.00 0.00 O ATOM 19 CB ASP A 2 -9.462 -10.727 -3.926 1.00 0.00 C ATOM 20 CG ASP A 2 -8.331 -11.557 -4.555 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.211 -11.575 -5.801 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.618 -12.202 -3.750 1.00 0.00 O ATOM 0 HA ASP A 2 -11.531 -10.190 -4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.058 -9.757 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.787 -11.223 -3.012 1.00 0.00 H new ATOM 27 N SER A 3 -10.009 -8.198 -5.343 1.00 0.00 N ATOM 28 CA SER A 3 -9.580 -7.057 -6.145 1.00 0.00 C ATOM 29 C SER A 3 -8.071 -6.822 -5.998 1.00 0.00 C ATOM 30 O SER A 3 -7.376 -7.509 -5.250 1.00 0.00 O ATOM 31 CB SER A 3 -10.344 -5.805 -5.698 1.00 0.00 C ATOM 32 OG SER A 3 -10.180 -4.742 -6.619 1.00 0.00 O ATOM 0 H SER A 3 -9.865 -8.051 -4.344 1.00 0.00 H new ATOM 0 HA SER A 3 -9.794 -7.267 -7.193 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.403 -6.040 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.991 -5.494 -4.715 1.00 0.00 H new ATOM 0 HG SER A 3 -9.702 -4.004 -6.185 1.00 0.00 H new ATOM 38 N THR A 4 -7.543 -5.820 -6.701 1.00 0.00 N ATOM 39 CA THR A 4 -6.125 -5.456 -6.735 1.00 0.00 C ATOM 40 C THR A 4 -5.996 -3.998 -7.132 1.00 0.00 C ATOM 41 O THR A 4 -6.776 -3.488 -7.933 1.00 0.00 O ATOM 42 CB THR A 4 -5.349 -6.375 -7.690 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.248 -7.630 -7.082 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.908 -5.947 -7.988 1.00 0.00 C ATOM 0 H THR A 4 -8.116 -5.213 -7.288 1.00 0.00 H new ATOM 0 HA THR A 4 -5.690 -5.588 -5.744 1.00 0.00 H new ATOM 0 HB THR A 4 -5.902 -6.353 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.918 -7.704 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.450 -6.662 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.910 -4.958 -8.446 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.338 -5.916 -7.059 1.00 0.00 H new ATOM 52 N ALA A 5 -4.984 -3.337 -6.581 1.00 0.00 N ATOM 53 CA ALA A 5 -4.566 -1.995 -6.956 1.00 0.00 C ATOM 54 C ALA A 5 -3.069 -1.793 -6.681 1.00 0.00 C ATOM 55 O ALA A 5 -2.457 -2.510 -5.870 1.00 0.00 O ATOM 56 CB ALA A 5 -5.444 -0.974 -6.219 1.00 0.00 C ATOM 0 H ALA A 5 -4.414 -3.736 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.701 -1.848 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.138 0.035 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.487 -1.125 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.331 -1.107 -5.143 1.00 0.00 H new ATOM 62 N THR A 6 -2.499 -0.794 -7.366 1.00 0.00 N ATOM 63 CA THR A 6 -1.122 -0.338 -7.188 1.00 0.00 C ATOM 64 C THR A 6 -1.111 1.073 -6.635 1.00 0.00 C ATOM 65 O THR A 6 -1.755 1.971 -7.180 1.00 0.00 O ATOM 66 CB THR A 6 -0.342 -0.332 -8.495 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.473 -1.576 -9.137 1.00 0.00 O ATOM 68 CG2 THR A 6 1.135 -0.070 -8.217 1.00 0.00 C ATOM 0 H THR A 6 -3.002 -0.267 -8.080 1.00 0.00 H new ATOM 0 HA THR A 6 -0.648 -1.036 -6.498 1.00 0.00 H new ATOM 0 HB THR A 6 -0.740 0.455 -9.136 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.030 -1.565 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.687 -0.067 -9.157 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.247 0.897 -7.727 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.528 -0.853 -7.568 1.00 0.00 H new ATOM 76 N PHE A 7 -0.294 1.262 -5.607 1.00 0.00 N ATOM 77 CA PHE A 7 -0.133 2.516 -4.878 1.00 0.00 C ATOM 78 C PHE A 7 1.336 2.933 -4.835 1.00 0.00 C ATOM 79 O PHE A 7 2.231 2.093 -4.750 1.00 0.00 O ATOM 80 CB PHE A 7 -0.683 2.400 -3.449 1.00 0.00 C ATOM 81 CG PHE A 7 -2.072 1.791 -3.351 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.261 0.396 -3.446 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.193 2.631 -3.228 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.553 -0.142 -3.470 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.488 2.085 -3.234 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.670 0.701 -3.362 1.00 0.00 C ATOM 0 H PHE A 7 0.299 0.516 -5.243 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.702 3.280 -5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.006 1.797 -2.857 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.704 3.393 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.405 -0.260 -3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.059 3.698 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.691 -1.208 -3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.346 2.734 -3.140 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.666 0.285 -3.377 1.00 0.00 H new ATOM 96 N ILE A 8 1.601 4.232 -4.866 1.00 0.00 N ATOM 97 CA ILE A 8 2.938 4.807 -4.899 1.00 0.00 C ATOM 98 C ILE A 8 3.071 5.911 -3.865 1.00 0.00 C ATOM 99 O ILE A 8 2.167 6.723 -3.699 1.00 0.00 O ATOM 100 CB ILE A 8 3.242 5.272 -6.335 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.743 5.578 -6.442 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.381 6.448 -6.829 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.288 5.370 -7.854 1.00 0.00 C ATOM 0 H ILE A 8 0.865 4.938 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 8 3.684 4.060 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 8 2.970 4.456 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.922 6.609 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.290 4.940 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.667 6.705 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.329 6.163 -6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.536 7.310 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.353 5.601 -7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.137 4.333 -8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.763 6.028 -8.547 1.00 0.00 H new ATOM 115 N ILE A 9 4.186 5.879 -3.136 1.00 0.00 N ATOM 116 CA ILE A 9 4.450 6.686 -1.955 1.00 0.00 C ATOM 117 C ILE A 9 5.658 7.584 -2.225 1.00 0.00 C ATOM 118 O ILE A 9 6.809 7.173 -2.101 1.00 0.00 O ATOM 119 CB ILE A 9 4.751 5.784 -0.739 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.755 4.663 -0.370 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.926 6.715 0.481 1.00 0.00 C ATOM 122 CD1 ILE A 9 3.490 3.538 -1.374 1.00 0.00 C ATOM 0 H ILE A 9 4.963 5.260 -3.367 1.00 0.00 H new ATOM 0 HA ILE A 9 3.570 7.290 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 9 5.637 5.222 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.107 4.202 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.798 5.135 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.141 6.117 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.751 7.403 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.009 7.282 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.767 2.838 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.093 3.960 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.421 3.013 -1.587 1.00 0.00 H new ATOM 134 N ASP A 10 5.413 8.846 -2.532 1.00 0.00 N ATOM 135 CA ASP A 10 6.469 9.785 -2.933 1.00 0.00 C ATOM 136 C ASP A 10 7.351 10.317 -1.785 1.00 0.00 C ATOM 137 O ASP A 10 8.226 11.151 -2.014 1.00 0.00 O ATOM 138 CB ASP A 10 5.800 10.930 -3.711 1.00 0.00 C ATOM 139 CG ASP A 10 6.090 10.973 -5.215 1.00 0.00 C ATOM 140 OD1 ASP A 10 6.967 10.209 -5.689 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.397 11.779 -5.880 1.00 0.00 O ATOM 0 H ASP A 10 4.480 9.257 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 10 7.177 9.237 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.722 10.858 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.117 11.876 -3.272 1.00 0.00 H new ATOM 146 N GLY A 11 7.127 9.829 -0.563 1.00 0.00 N ATOM 147 CA GLY A 11 7.849 10.208 0.664 1.00 0.00 C ATOM 148 C GLY A 11 8.489 9.020 1.382 1.00 0.00 C ATOM 149 O GLY A 11 8.912 9.131 2.527 1.00 0.00 O ATOM 0 H GLY A 11 6.407 9.128 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.624 10.932 0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.158 10.705 1.345 1.00 0.00 H new ATOM 153 N MET A 12 8.515 7.854 0.733 1.00 0.00 N ATOM 154 CA MET A 12 9.010 6.605 1.305 1.00 0.00 C ATOM 155 C MET A 12 10.529 6.662 1.462 1.00 0.00 C ATOM 156 O MET A 12 11.219 7.059 0.529 1.00 0.00 O ATOM 157 CB MET A 12 8.579 5.471 0.359 1.00 0.00 C ATOM 158 CG MET A 12 8.367 4.117 1.010 1.00 0.00 C ATOM 159 SD MET A 12 9.627 2.857 0.658 1.00 0.00 S ATOM 160 CE MET A 12 8.697 1.776 -0.461 1.00 0.00 C ATOM 0 H MET A 12 8.184 7.752 -0.227 1.00 0.00 H new ATOM 0 HA MET A 12 8.598 6.434 2.299 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.653 5.766 -0.134 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.334 5.365 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.316 4.259 2.089 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.398 3.732 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.372 1.358 -1.208 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.242 0.967 0.110 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.917 2.352 -0.959 1.00 0.00 H new ATOM 170 N HIS A 13 11.074 6.172 2.579 1.00 0.00 N ATOM 171 CA HIS A 13 12.533 6.066 2.764 1.00 0.00 C ATOM 172 C HIS A 13 13.218 5.153 1.721 1.00 0.00 C ATOM 173 O HIS A 13 14.442 5.038 1.721 1.00 0.00 O ATOM 174 CB HIS A 13 12.847 5.537 4.170 1.00 0.00 C ATOM 175 CG HIS A 13 12.507 6.437 5.337 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.936 6.243 6.632 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.745 7.578 5.342 1.00 0.00 C ATOM 178 CE1 HIS A 13 12.447 7.235 7.392 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.713 8.072 6.648 1.00 0.00 N ATOM 0 H HIS A 13 10.529 5.840 3.374 1.00 0.00 H new ATOM 0 HA HIS A 13 12.931 7.072 2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.315 4.595 4.303 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.912 5.311 4.216 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.255 8.017 4.486 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.621 7.343 8.452 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.226 8.907 6.972 1.00 0.00 H new ATOM 187 N CYS A 14 12.439 4.461 0.878 1.00 0.00 N ATOM 188 CA CYS A 14 12.856 3.700 -0.307 1.00 0.00 C ATOM 189 C CYS A 14 13.367 2.315 0.095 1.00 0.00 C ATOM 190 O CYS A 14 12.983 1.313 -0.497 1.00 0.00 O ATOM 191 CB CYS A 14 13.858 4.524 -1.132 1.00 0.00 C ATOM 192 SG CYS A 14 14.019 3.794 -2.782 1.00 0.00 S ATOM 0 H CYS A 14 11.429 4.415 1.017 1.00 0.00 H new ATOM 0 HA CYS A 14 12.000 3.518 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.519 5.557 -1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.827 4.543 -0.634 1.00 0.00 H new ATOM 0 HG CYS A 14 14.864 4.489 -3.484 1.00 0.00 H new ATOM 198 N LYS A 15 14.167 2.230 1.154 1.00 0.00 N ATOM 199 CA LYS A 15 14.563 0.981 1.801 1.00 0.00 C ATOM 200 C LYS A 15 14.164 1.026 3.286 1.00 0.00 C ATOM 201 O LYS A 15 13.953 2.095 3.860 1.00 0.00 O ATOM 202 CB LYS A 15 16.052 0.691 1.503 1.00 0.00 C ATOM 203 CG LYS A 15 16.373 0.616 -0.013 1.00 0.00 C ATOM 204 CD LYS A 15 15.671 -0.549 -0.741 1.00 0.00 C ATOM 205 CE LYS A 15 15.570 -0.427 -2.270 1.00 0.00 C ATOM 206 NZ LYS A 15 14.690 0.698 -2.696 1.00 0.00 N ATOM 0 H LYS A 15 14.571 3.054 1.600 1.00 0.00 H new ATOM 0 HA LYS A 15 14.029 0.122 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.664 1.469 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.332 -0.251 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.081 1.555 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.451 0.516 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.202 -1.471 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.663 -0.649 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.567 -0.282 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.186 -1.360 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.449 0.589 -3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.818 0.691 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.187 1.600 -2.555 1.00 0.00 H new ATOM 220 N SER A 16 13.860 -0.143 3.850 1.00 0.00 N ATOM 221 CA SER A 16 13.232 -0.340 5.176 1.00 0.00 C ATOM 222 C SER A 16 11.760 0.104 5.223 1.00 0.00 C ATOM 223 O SER A 16 10.951 -0.684 5.703 1.00 0.00 O ATOM 224 CB SER A 16 14.025 0.315 6.320 1.00 0.00 C ATOM 225 OG SER A 16 15.379 -0.103 6.277 1.00 0.00 O ATOM 0 H SER A 16 14.050 -1.028 3.379 1.00 0.00 H new ATOM 0 HA SER A 16 13.254 -1.419 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.969 1.400 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.584 0.046 7.279 1.00 0.00 H new ATOM 0 HG SER A 16 15.876 0.321 7.008 1.00 0.00 H new ATOM 231 N CYS A 17 11.366 1.272 4.672 1.00 0.00 N ATOM 232 CA CYS A 17 9.953 1.666 4.599 1.00 0.00 C ATOM 233 C CYS A 17 9.114 0.547 3.974 1.00 0.00 C ATOM 234 O CYS A 17 8.152 0.139 4.609 1.00 0.00 O ATOM 235 CB CYS A 17 9.770 3.036 3.924 1.00 0.00 C ATOM 236 SG CYS A 17 9.790 4.371 5.155 1.00 0.00 S ATOM 0 H CYS A 17 12.010 1.955 4.273 1.00 0.00 H new ATOM 0 HA CYS A 17 9.577 1.803 5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.564 3.196 3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.827 3.054 3.377 1.00 0.00 H new ATOM 0 HG CYS A 17 9.155 5.404 4.685 1.00 0.00 H new ATOM 242 N VAL A 18 9.560 -0.009 2.848 1.00 0.00 N ATOM 243 CA VAL A 18 9.057 -1.228 2.197 1.00 0.00 C ATOM 244 C VAL A 18 8.471 -2.254 3.172 1.00 0.00 C ATOM 245 O VAL A 18 7.296 -2.588 3.066 1.00 0.00 O ATOM 246 CB VAL A 18 10.211 -1.910 1.409 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.908 -3.349 0.958 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.652 -1.043 0.221 1.00 0.00 C ATOM 0 H VAL A 18 10.334 0.405 2.328 1.00 0.00 H new ATOM 0 HA VAL A 18 8.250 -0.907 1.539 1.00 0.00 H new ATOM 0 HB VAL A 18 11.035 -1.996 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.765 -3.749 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.709 -3.970 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.034 -3.350 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.460 -1.542 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.809 -0.894 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.001 -0.077 0.585 1.00 0.00 H new ATOM 258 N SER A 19 9.268 -2.728 4.131 1.00 0.00 N ATOM 259 CA SER A 19 8.890 -3.869 4.976 1.00 0.00 C ATOM 260 C SER A 19 7.766 -3.495 5.952 1.00 0.00 C ATOM 261 O SER A 19 6.844 -4.287 6.160 1.00 0.00 O ATOM 262 CB SER A 19 10.160 -4.355 5.690 1.00 0.00 C ATOM 263 OG SER A 19 9.909 -5.388 6.624 1.00 0.00 O ATOM 0 H SER A 19 10.186 -2.338 4.345 1.00 0.00 H new ATOM 0 HA SER A 19 8.485 -4.680 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.874 -4.710 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.626 -3.514 6.203 1.00 0.00 H new ATOM 0 HG SER A 19 10.751 -5.659 7.046 1.00 0.00 H new ATOM 269 N ASN A 20 7.750 -2.254 6.454 1.00 0.00 N ATOM 270 CA ASN A 20 6.596 -1.729 7.188 1.00 0.00 C ATOM 271 C ASN A 20 5.321 -1.746 6.344 1.00 0.00 C ATOM 272 O ASN A 20 4.261 -2.088 6.848 1.00 0.00 O ATOM 273 CB ASN A 20 6.814 -0.271 7.578 1.00 0.00 C ATOM 274 CG ASN A 20 7.995 -0.055 8.491 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.949 0.727 8.041 1.00 0.00 O flip ATOM 276 ND2 ASN A 20 8.078 -0.567 9.592 1.00 0.00 N flip ATOM 0 H ASN A 20 8.524 -1.596 6.364 1.00 0.00 H new ATOM 0 HA ASN A 20 6.490 -2.372 8.062 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.953 0.320 6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.915 0.103 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.330 -1.173 9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.895 -0.390 10.176 1.00 0.00 H new ATOM 283 N ILE A 21 5.406 -1.333 5.073 1.00 0.00 N ATOM 284 CA ILE A 21 4.211 -1.160 4.226 1.00 0.00 C ATOM 285 C ILE A 21 3.601 -2.516 3.882 1.00 0.00 C ATOM 286 O ILE A 21 2.389 -2.668 3.979 1.00 0.00 O ATOM 287 CB ILE A 21 4.476 -0.349 2.934 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.670 0.628 3.047 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.147 0.309 2.525 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.696 1.772 2.032 1.00 0.00 C ATOM 0 H ILE A 21 6.286 -1.112 4.606 1.00 0.00 H new ATOM 0 HA ILE A 21 3.505 -0.575 4.815 1.00 0.00 H new ATOM 0 HB ILE A 21 4.803 -1.015 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.670 1.057 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.593 0.057 2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.294 0.891 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.399 -0.463 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.805 0.966 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.575 2.392 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.734 1.362 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.797 2.378 2.144 1.00 0.00 H new ATOM 302 N GLU A 22 4.454 -3.497 3.575 1.00 0.00 N ATOM 303 CA GLU A 22 4.066 -4.897 3.437 1.00 0.00 C ATOM 304 C GLU A 22 3.372 -5.387 4.719 1.00 0.00 C ATOM 305 O GLU A 22 2.256 -5.896 4.679 1.00 0.00 O ATOM 306 CB GLU A 22 5.319 -5.730 3.103 1.00 0.00 C ATOM 307 CG GLU A 22 5.890 -5.390 1.717 1.00 0.00 C ATOM 308 CD GLU A 22 6.750 -6.499 1.125 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.739 -6.847 1.805 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.432 -6.924 -0.011 1.00 0.00 O ATOM 0 H GLU A 22 5.448 -3.335 3.414 1.00 0.00 H new ATOM 0 HA GLU A 22 3.349 -5.012 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.082 -5.555 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.069 -6.790 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.066 -5.177 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.485 -4.480 1.791 1.00 0.00 H new ATOM 317 N SER A 23 3.988 -5.163 5.879 1.00 0.00 N ATOM 318 CA SER A 23 3.483 -5.657 7.169 1.00 0.00 C ATOM 319 C SER A 23 2.173 -5.017 7.653 1.00 0.00 C ATOM 320 O SER A 23 1.268 -5.725 8.095 1.00 0.00 O ATOM 321 CB SER A 23 4.567 -5.442 8.232 1.00 0.00 C ATOM 322 OG SER A 23 5.773 -6.085 7.861 1.00 0.00 O ATOM 0 H SER A 23 4.855 -4.632 5.956 1.00 0.00 H new ATOM 0 HA SER A 23 3.250 -6.710 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.745 -4.375 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.224 -5.830 9.191 1.00 0.00 H new ATOM 0 HG SER A 23 6.308 -5.481 7.305 1.00 0.00 H new ATOM 328 N THR A 24 2.068 -3.685 7.571 1.00 0.00 N ATOM 329 CA THR A 24 0.910 -2.891 8.004 1.00 0.00 C ATOM 330 C THR A 24 -0.296 -3.185 7.129 1.00 0.00 C ATOM 331 O THR A 24 -1.410 -3.298 7.637 1.00 0.00 O ATOM 332 CB THR A 24 1.278 -1.394 8.024 1.00 0.00 C ATOM 333 OG1 THR A 24 2.248 -1.220 9.031 1.00 0.00 O ATOM 334 CG2 THR A 24 0.102 -0.479 8.368 1.00 0.00 C ATOM 0 H THR A 24 2.816 -3.108 7.186 1.00 0.00 H new ATOM 0 HA THR A 24 0.634 -3.172 9.020 1.00 0.00 H new ATOM 0 HB THR A 24 1.622 -1.125 7.025 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.135 -1.431 8.671 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.435 0.559 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.689 -0.610 7.629 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.280 -0.733 9.357 1.00 0.00 H new ATOM 342 N LEU A 25 -0.082 -3.328 5.820 1.00 0.00 N ATOM 343 CA LEU A 25 -1.134 -3.681 4.877 1.00 0.00 C ATOM 344 C LEU A 25 -1.533 -5.144 4.996 1.00 0.00 C ATOM 345 O LEU A 25 -2.726 -5.402 5.087 1.00 0.00 O ATOM 346 CB LEU A 25 -0.677 -3.368 3.453 1.00 0.00 C ATOM 347 CG LEU A 25 -0.639 -1.883 3.017 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.893 -1.568 2.191 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.498 -0.851 4.153 1.00 0.00 C ATOM 0 H LEU A 25 0.832 -3.201 5.386 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.014 -3.084 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.324 -3.781 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.333 -3.902 2.766 1.00 0.00 H new ATOM 0 HG LEU A 25 0.275 -1.780 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.872 -0.523 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.918 -2.208 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.782 -1.749 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.482 0.154 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.342 -0.945 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.430 -1.031 4.695 1.00 0.00 H new ATOM 361 N SER A 26 -0.596 -6.095 5.048 1.00 0.00 N ATOM 362 CA SER A 26 -0.935 -7.531 5.056 1.00 0.00 C ATOM 363 C SER A 26 -1.629 -7.999 6.355 1.00 0.00 C ATOM 364 O SER A 26 -1.851 -9.197 6.552 1.00 0.00 O ATOM 365 CB SER A 26 0.326 -8.372 4.814 1.00 0.00 C ATOM 366 OG SER A 26 -0.027 -9.733 4.638 1.00 0.00 O ATOM 0 H SER A 26 0.405 -5.902 5.085 1.00 0.00 H new ATOM 0 HA SER A 26 -1.653 -7.677 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.853 -8.007 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.008 -8.271 5.658 1.00 0.00 H new ATOM 0 HG SER A 26 -0.670 -9.996 5.329 1.00 0.00 H new ATOM 372 N ALA A 27 -1.957 -7.062 7.245 1.00 0.00 N ATOM 373 CA ALA A 27 -2.675 -7.288 8.494 1.00 0.00 C ATOM 374 C ALA A 27 -4.153 -6.882 8.376 1.00 0.00 C ATOM 375 O ALA A 27 -4.923 -7.064 9.322 1.00 0.00 O ATOM 376 CB ALA A 27 -1.954 -6.484 9.584 1.00 0.00 C ATOM 0 H ALA A 27 -1.717 -6.080 7.106 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.676 -8.349 8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.462 -6.627 10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.923 -6.827 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.964 -5.426 9.322 1.00 0.00 H new ATOM 382 N LEU A 28 -4.568 -6.292 7.247 1.00 0.00 N ATOM 383 CA LEU A 28 -5.899 -5.724 7.106 1.00 0.00 C ATOM 384 C LEU A 28 -6.920 -6.842 6.884 1.00 0.00 C ATOM 385 O LEU A 28 -6.784 -7.636 5.957 1.00 0.00 O ATOM 386 CB LEU A 28 -5.917 -4.705 5.955 1.00 0.00 C ATOM 387 CG LEU A 28 -4.993 -3.487 6.158 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.740 -2.750 4.837 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.604 -2.502 7.155 1.00 0.00 C ATOM 0 H LEU A 28 -3.987 -6.199 6.414 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.171 -5.198 8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.630 -5.212 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.938 -4.350 5.818 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.047 -3.867 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.085 -1.897 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.267 -3.428 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.688 -2.400 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.935 -1.651 7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.566 -2.154 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.747 -2.998 8.115 1.00 0.00 H new ATOM 401 N GLN A 29 -7.991 -6.876 7.678 1.00 0.00 N ATOM 402 CA GLN A 29 -8.968 -7.979 7.692 1.00 0.00 C ATOM 403 C GLN A 29 -9.585 -8.327 6.323 1.00 0.00 C ATOM 404 O GLN A 29 -10.066 -9.441 6.146 1.00 0.00 O ATOM 405 CB GLN A 29 -10.068 -7.661 8.718 1.00 0.00 C ATOM 406 CG GLN A 29 -10.958 -6.470 8.315 1.00 0.00 C ATOM 407 CD GLN A 29 -11.926 -6.094 9.429 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.717 -5.147 10.166 1.00 0.00 O ATOM 409 NE2 GLN A 29 -13.003 -6.826 9.619 1.00 0.00 N ATOM 0 H GLN A 29 -8.212 -6.132 8.340 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.413 -8.874 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.694 -8.543 8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.605 -7.449 9.682 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.331 -5.612 8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.518 -6.721 7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.192 -7.622 9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.648 -6.597 10.375 1.00 0.00 H new ATOM 418 N TYR A 30 -9.571 -7.399 5.362 1.00 0.00 N ATOM 419 CA TYR A 30 -10.028 -7.607 3.990 1.00 0.00 C ATOM 420 C TYR A 30 -8.935 -8.014 2.986 1.00 0.00 C ATOM 421 O TYR A 30 -9.281 -8.441 1.887 1.00 0.00 O ATOM 422 CB TYR A 30 -10.722 -6.318 3.510 1.00 0.00 C ATOM 423 CG TYR A 30 -10.076 -4.982 3.875 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.735 -4.678 3.548 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.851 -4.009 4.542 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.210 -3.411 3.840 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.312 -2.750 4.872 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.981 -2.443 4.515 1.00 0.00 C ATOM 429 OH TYR A 30 -8.431 -1.240 4.844 1.00 0.00 O ATOM 0 H TYR A 30 -9.229 -6.452 5.526 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.709 -8.457 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.802 -6.365 2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.738 -6.318 3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.114 -5.423 3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.874 -4.233 4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.199 -3.173 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.914 -2.023 5.396 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.099 -0.690 5.304 1.00 0.00 H new ATOM 439 N VAL A 31 -7.640 -7.843 3.280 1.00 0.00 N ATOM 440 CA VAL A 31 -6.603 -7.987 2.246 1.00 0.00 C ATOM 441 C VAL A 31 -6.246 -9.466 2.063 1.00 0.00 C ATOM 442 O VAL A 31 -6.215 -10.246 3.011 1.00 0.00 O ATOM 443 CB VAL A 31 -5.418 -7.006 2.420 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.458 -7.435 3.483 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.558 -6.809 1.169 1.00 0.00 C ATOM 0 H VAL A 31 -7.287 -7.609 4.208 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.008 -7.665 1.287 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.931 -6.079 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.649 -6.708 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.978 -7.499 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.045 -8.411 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.754 -6.106 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.132 -7.765 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.175 -6.415 0.362 1.00 0.00 H new ATOM 455 N SER A 32 -6.082 -9.859 0.806 1.00 0.00 N ATOM 456 CA SER A 32 -5.850 -11.235 0.358 1.00 0.00 C ATOM 457 C SER A 32 -4.355 -11.472 0.084 1.00 0.00 C ATOM 458 O SER A 32 -3.839 -12.549 0.363 1.00 0.00 O ATOM 459 CB SER A 32 -6.721 -11.445 -0.888 1.00 0.00 C ATOM 460 OG SER A 32 -6.737 -12.771 -1.381 1.00 0.00 O ATOM 0 H SER A 32 -6.108 -9.198 0.030 1.00 0.00 H new ATOM 0 HA SER A 32 -6.125 -11.960 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.743 -11.146 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.367 -10.782 -1.678 1.00 0.00 H new ATOM 0 HG SER A 32 -6.773 -12.756 -2.360 1.00 0.00 H new ATOM 466 N SER A 33 -3.621 -10.438 -0.348 1.00 0.00 N ATOM 467 CA SER A 33 -2.167 -10.465 -0.518 1.00 0.00 C ATOM 468 C SER A 33 -1.566 -9.076 -0.703 1.00 0.00 C ATOM 469 O SER A 33 -2.257 -8.075 -0.911 1.00 0.00 O ATOM 470 CB SER A 33 -1.744 -11.280 -1.745 1.00 0.00 C ATOM 471 OG SER A 33 -0.434 -11.788 -1.576 1.00 0.00 O ATOM 0 H SER A 33 -4.035 -9.539 -0.594 1.00 0.00 H new ATOM 0 HA SER A 33 -1.798 -10.919 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.442 -12.103 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.785 -10.654 -2.636 1.00 0.00 H new ATOM 0 HG SER A 33 -0.180 -12.307 -2.367 1.00 0.00 H new ATOM 477 N ILE A 34 -0.242 -9.048 -0.751 1.00 0.00 N ATOM 478 CA ILE A 34 0.557 -7.877 -1.080 1.00 0.00 C ATOM 479 C ILE A 34 1.986 -8.261 -1.467 1.00 0.00 C ATOM 480 O ILE A 34 2.515 -9.269 -1.007 1.00 0.00 O ATOM 481 CB ILE A 34 0.534 -6.857 0.093 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.261 -5.538 -0.253 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.120 -7.461 1.384 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.000 -4.428 0.766 1.00 0.00 C ATOM 0 H ILE A 34 0.327 -9.872 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 34 0.113 -7.398 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.516 -6.621 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.333 -5.725 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.941 -5.201 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.087 -6.718 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.535 -8.333 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.154 -7.760 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.537 -3.527 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.068 -4.216 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.345 -4.748 1.749 1.00 0.00 H new ATOM 496 N VAL A 35 2.578 -7.434 -2.323 1.00 0.00 N ATOM 497 CA VAL A 35 4.005 -7.399 -2.648 1.00 0.00 C ATOM 498 C VAL A 35 4.399 -5.943 -2.783 1.00 0.00 C ATOM 499 O VAL A 35 3.716 -5.181 -3.469 1.00 0.00 O ATOM 500 CB VAL A 35 4.327 -8.108 -3.978 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.727 -7.790 -4.545 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.267 -9.621 -3.755 1.00 0.00 C ATOM 0 H VAL A 35 2.048 -6.731 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 35 4.552 -7.915 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 35 3.590 -7.747 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.872 -8.329 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.811 -6.719 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.488 -8.097 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.493 -10.136 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.997 -9.906 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.268 -9.900 -3.420 1.00 0.00 H new ATOM 512 N VAL A 36 5.515 -5.569 -2.175 1.00 0.00 N ATOM 513 CA VAL A 36 6.131 -4.260 -2.425 1.00 0.00 C ATOM 514 C VAL A 36 7.307 -4.418 -3.376 1.00 0.00 C ATOM 515 O VAL A 36 8.160 -5.290 -3.223 1.00 0.00 O ATOM 516 CB VAL A 36 6.531 -3.542 -1.127 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.494 -2.366 -1.323 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.292 -2.924 -0.466 1.00 0.00 C ATOM 0 H VAL A 36 6.018 -6.149 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 36 5.386 -3.620 -2.898 1.00 0.00 H new ATOM 0 HB VAL A 36 7.015 -4.315 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.723 -1.918 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.415 -2.723 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.030 -1.620 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.585 -2.417 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.836 -2.205 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.573 -3.710 -0.234 1.00 0.00 H new ATOM 528 N SER A 37 7.361 -3.517 -4.354 1.00 0.00 N ATOM 529 CA SER A 37 8.524 -3.365 -5.211 1.00 0.00 C ATOM 530 C SER A 37 9.679 -2.800 -4.380 1.00 0.00 C ATOM 531 O SER A 37 9.801 -1.584 -4.252 1.00 0.00 O ATOM 532 CB SER A 37 8.204 -2.413 -6.365 1.00 0.00 C ATOM 533 OG SER A 37 7.573 -3.067 -7.448 1.00 0.00 O ATOM 0 H SER A 37 6.599 -2.875 -4.571 1.00 0.00 H new ATOM 0 HA SER A 37 8.803 -4.334 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.559 -1.612 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.126 -1.947 -6.713 1.00 0.00 H new ATOM 0 HG SER A 37 7.388 -2.418 -8.159 1.00 0.00 H new ATOM 539 N LEU A 38 10.517 -3.676 -3.811 1.00 0.00 N ATOM 540 CA LEU A 38 11.651 -3.344 -2.939 1.00 0.00 C ATOM 541 C LEU A 38 12.505 -2.239 -3.540 1.00 0.00 C ATOM 542 O LEU A 38 12.895 -1.333 -2.818 1.00 0.00 O ATOM 543 CB LEU A 38 12.482 -4.621 -2.676 1.00 0.00 C ATOM 544 CG LEU A 38 13.152 -4.709 -1.286 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.713 -6.120 -1.077 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.273 -3.688 -1.069 1.00 0.00 C ATOM 0 H LEU A 38 10.418 -4.681 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 38 11.272 -2.967 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.833 -5.487 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.258 -4.691 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 38 12.374 -4.478 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.186 -6.182 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.902 -6.846 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.451 -6.336 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.692 -3.814 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.055 -3.842 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.871 -2.680 -1.169 1.00 0.00 H new ATOM 558 N GLU A 39 12.779 -2.305 -4.846 1.00 0.00 N ATOM 559 CA GLU A 39 13.512 -1.293 -5.586 1.00 0.00 C ATOM 560 C GLU A 39 12.822 0.077 -5.526 1.00 0.00 C ATOM 561 O GLU A 39 13.441 1.060 -5.121 1.00 0.00 O ATOM 562 CB GLU A 39 13.676 -1.807 -7.022 1.00 0.00 C ATOM 563 CG GLU A 39 14.615 -0.967 -7.891 1.00 0.00 C ATOM 564 CD GLU A 39 13.824 -0.008 -8.777 1.00 0.00 C ATOM 565 OE1 GLU A 39 13.299 -0.491 -9.803 1.00 0.00 O ATOM 566 OE2 GLU A 39 13.633 1.159 -8.366 1.00 0.00 O ATOM 0 H GLU A 39 12.485 -3.090 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 39 14.492 -1.132 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.050 -2.830 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.695 -1.842 -7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.297 -0.402 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.226 -1.622 -8.512 1.00 0.00 H new ATOM 573 N ASN A 40 11.533 0.097 -5.861 1.00 0.00 N ATOM 574 CA ASN A 40 10.690 1.279 -6.016 1.00 0.00 C ATOM 575 C ASN A 40 10.177 1.857 -4.682 1.00 0.00 C ATOM 576 O ASN A 40 10.445 1.405 -3.570 1.00 0.00 O ATOM 577 CB ASN A 40 9.481 0.948 -6.923 1.00 0.00 C ATOM 578 CG ASN A 40 9.812 0.263 -8.237 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.061 -0.588 -8.701 1.00 0.00 O ATOM 580 ND2 ASN A 40 10.923 0.623 -8.840 1.00 0.00 N ATOM 0 H ASN A 40 11.019 -0.765 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 40 11.322 2.043 -6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.795 0.311 -6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.949 1.874 -7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.186 0.190 -9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.522 1.335 -8.422 1.00 0.00 H new ATOM 587 N ARG A 41 9.346 2.884 -4.848 1.00 0.00 N ATOM 588 CA ARG A 41 8.512 3.525 -3.835 1.00 0.00 C ATOM 589 C ARG A 41 7.031 3.085 -3.935 1.00 0.00 C ATOM 590 O ARG A 41 6.136 3.874 -3.637 1.00 0.00 O ATOM 591 CB ARG A 41 8.704 5.041 -4.006 1.00 0.00 C ATOM 592 CG ARG A 41 8.232 5.572 -5.374 1.00 0.00 C ATOM 593 CD ARG A 41 9.326 6.347 -6.111 1.00 0.00 C ATOM 594 NE ARG A 41 9.151 7.808 -5.960 1.00 0.00 N ATOM 595 CZ ARG A 41 10.045 8.688 -5.535 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.297 8.359 -5.273 1.00 0.00 N ATOM 597 NH2 ARG A 41 9.669 9.932 -5.361 1.00 0.00 N ATOM 0 H ARG A 41 9.230 3.322 -5.762 1.00 0.00 H new ATOM 0 HA ARG A 41 8.813 3.222 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.159 5.559 -3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.759 5.282 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.905 4.735 -5.992 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.367 6.219 -5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.303 6.055 -5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.309 6.085 -7.169 1.00 0.00 H new ATOM 0 HE ARG A 41 8.236 8.181 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.608 7.395 -5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.953 9.069 -4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.705 10.205 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.341 10.627 -5.034 1.00 0.00 H new ATOM 611 N SER A 42 6.727 1.862 -4.389 1.00 0.00 N ATOM 612 CA SER A 42 5.361 1.441 -4.767 1.00 0.00 C ATOM 613 C SER A 42 5.003 -0.012 -4.384 1.00 0.00 C ATOM 614 O SER A 42 5.867 -0.886 -4.340 1.00 0.00 O ATOM 615 CB SER A 42 5.114 1.678 -6.274 1.00 0.00 C ATOM 616 OG SER A 42 6.301 1.784 -7.050 1.00 0.00 O ATOM 0 H SER A 42 7.424 1.127 -4.507 1.00 0.00 H new ATOM 0 HA SER A 42 4.695 2.070 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.510 0.859 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.531 2.591 -6.396 1.00 0.00 H new ATOM 0 HG SER A 42 6.065 1.931 -7.990 1.00 0.00 H new ATOM 622 N ALA A 43 3.712 -0.269 -4.133 1.00 0.00 N ATOM 623 CA ALA A 43 3.157 -1.516 -3.594 1.00 0.00 C ATOM 624 C ALA A 43 2.023 -2.026 -4.483 1.00 0.00 C ATOM 625 O ALA A 43 1.152 -1.256 -4.885 1.00 0.00 O ATOM 626 CB ALA A 43 2.612 -1.209 -2.188 1.00 0.00 C ATOM 0 H ALA A 43 2.988 0.427 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 43 3.928 -2.285 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.190 -2.116 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.422 -0.847 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.837 -0.446 -2.257 1.00 0.00 H new ATOM 632 N ILE A 44 2.004 -3.328 -4.750 1.00 0.00 N ATOM 633 CA ILE A 44 0.933 -4.038 -5.450 1.00 0.00 C ATOM 634 C ILE A 44 0.192 -4.836 -4.376 1.00 0.00 C ATOM 635 O ILE A 44 0.755 -5.745 -3.763 1.00 0.00 O ATOM 636 CB ILE A 44 1.520 -4.915 -6.578 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.230 -4.013 -7.620 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.399 -5.743 -7.240 1.00 0.00 C ATOM 639 CD1 ILE A 44 3.050 -4.790 -8.655 1.00 0.00 C ATOM 0 H ILE A 44 2.767 -3.946 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 44 0.236 -3.366 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 44 2.252 -5.606 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.481 -3.415 -8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.887 -3.318 -7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.822 -6.358 -8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.069 -6.385 -6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.349 -5.071 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.516 -4.091 -9.349 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.823 -5.367 -8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.395 -5.465 -9.205 1.00 0.00 H new ATOM 651 N VAL A 45 -1.042 -4.424 -4.109 1.00 0.00 N ATOM 652 CA VAL A 45 -1.864 -4.886 -2.982 1.00 0.00 C ATOM 653 C VAL A 45 -3.111 -5.583 -3.534 1.00 0.00 C ATOM 654 O VAL A 45 -3.781 -5.012 -4.395 1.00 0.00 O ATOM 655 CB VAL A 45 -2.305 -3.702 -2.102 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.898 -4.251 -0.795 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.170 -2.715 -1.774 1.00 0.00 C ATOM 0 H VAL A 45 -1.520 -3.734 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.273 -5.572 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.044 -3.140 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.214 -3.422 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.757 -4.882 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.144 -4.839 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.558 -1.909 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.377 -3.237 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.771 -2.299 -2.699 1.00 0.00 H new ATOM 667 N VAL A 46 -3.430 -6.784 -3.045 1.00 0.00 N ATOM 668 CA VAL A 46 -4.556 -7.617 -3.505 1.00 0.00 C ATOM 669 C VAL A 46 -5.559 -7.708 -2.356 1.00 0.00 C ATOM 670 O VAL A 46 -5.239 -8.293 -1.331 1.00 0.00 O ATOM 671 CB VAL A 46 -4.090 -9.048 -3.878 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.236 -9.907 -4.436 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.896 -9.067 -4.850 1.00 0.00 C ATOM 0 H VAL A 46 -2.897 -7.222 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.996 -7.166 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.753 -9.486 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.860 -10.900 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.024 -9.993 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.638 -9.438 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.621 -10.099 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.172 -8.561 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.048 -8.555 -4.395 1.00 0.00 H new ATOM 683 N TYR A 47 -6.754 -7.135 -2.472 1.00 0.00 N ATOM 684 CA TYR A 47 -7.714 -7.018 -1.363 1.00 0.00 C ATOM 685 C TYR A 47 -9.121 -7.463 -1.764 1.00 0.00 C ATOM 686 O TYR A 47 -9.628 -7.092 -2.821 1.00 0.00 O ATOM 687 CB TYR A 47 -7.727 -5.588 -0.796 1.00 0.00 C ATOM 688 CG TYR A 47 -8.371 -4.527 -1.682 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.878 -4.269 -2.980 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.499 -3.823 -1.220 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.555 -3.387 -3.841 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.154 -2.902 -2.058 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.710 -2.714 -3.384 1.00 0.00 C ATOM 694 OH TYR A 47 -10.416 -1.907 -4.219 1.00 0.00 O ATOM 0 H TYR A 47 -7.093 -6.732 -3.346 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.379 -7.696 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.250 -5.602 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.699 -5.289 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.973 -4.754 -3.315 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.863 -3.991 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.194 -3.225 -4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.997 -2.339 -1.686 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.364 -0.982 -3.901 1.00 0.00 H new ATOM 704 N ASN A 48 -9.777 -8.253 -0.919 1.00 0.00 N ATOM 705 CA ASN A 48 -11.122 -8.732 -1.199 1.00 0.00 C ATOM 706 C ASN A 48 -12.156 -7.626 -0.929 1.00 0.00 C ATOM 707 O ASN A 48 -12.345 -7.194 0.206 1.00 0.00 O ATOM 708 CB ASN A 48 -11.376 -10.019 -0.407 1.00 0.00 C ATOM 709 CG ASN A 48 -12.738 -10.603 -0.753 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.686 -10.493 0.006 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.889 -11.198 -1.921 1.00 0.00 N ATOM 0 H ASN A 48 -9.394 -8.575 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.225 -8.981 -2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.596 -10.748 -0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.325 -9.810 0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.801 -11.567 -2.191 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.094 -11.288 -2.554 1.00 0.00 H new ATOM 780 N PRO A 54 -10.322 1.146 -3.286 1.00 0.00 N ATOM 781 CA PRO A 54 -8.860 1.127 -3.204 1.00 0.00 C ATOM 782 C PRO A 54 -8.316 2.215 -2.267 1.00 0.00 C ATOM 783 O PRO A 54 -7.267 2.016 -1.659 1.00 0.00 O ATOM 784 CB PRO A 54 -8.384 1.347 -4.641 1.00 0.00 C ATOM 785 CG PRO A 54 -9.453 2.277 -5.213 1.00 0.00 C ATOM 786 CD PRO A 54 -10.729 1.784 -4.533 1.00 0.00 C ATOM 0 HA PRO A 54 -8.499 0.188 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.393 1.801 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.324 0.410 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.248 3.322 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.517 2.200 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.409 2.614 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.260 1.079 -5.172 1.00 0.00 H new ATOM 794 N GLU A 55 -9.047 3.328 -2.101 1.00 0.00 N ATOM 795 CA GLU A 55 -8.731 4.433 -1.183 1.00 0.00 C ATOM 796 C GLU A 55 -8.487 3.949 0.262 1.00 0.00 C ATOM 797 O GLU A 55 -7.751 4.587 1.009 1.00 0.00 O ATOM 798 CB GLU A 55 -9.893 5.444 -1.263 1.00 0.00 C ATOM 799 CG GLU A 55 -9.812 6.696 -0.371 1.00 0.00 C ATOM 800 CD GLU A 55 -8.758 7.738 -0.757 1.00 0.00 C ATOM 801 OE1 GLU A 55 -8.006 7.565 -1.738 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.678 8.756 -0.036 1.00 0.00 O ATOM 0 H GLU A 55 -9.908 3.489 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.796 4.906 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.980 5.774 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.815 4.916 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.788 7.181 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.617 6.375 0.652 1.00 0.00 H new ATOM 809 N SER A 56 -9.038 2.799 0.665 1.00 0.00 N ATOM 810 CA SER A 56 -8.832 2.208 1.986 1.00 0.00 C ATOM 811 C SER A 56 -7.394 1.718 2.184 1.00 0.00 C ATOM 812 O SER A 56 -6.801 1.922 3.244 1.00 0.00 O ATOM 813 CB SER A 56 -9.761 0.996 2.163 1.00 0.00 C ATOM 814 OG SER A 56 -10.986 1.093 1.450 1.00 0.00 O ATOM 0 H SER A 56 -9.651 2.244 0.068 1.00 0.00 H new ATOM 0 HA SER A 56 -9.046 2.988 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.235 0.098 1.839 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.980 0.872 3.224 1.00 0.00 H new ATOM 0 HG SER A 56 -11.522 0.288 1.609 1.00 0.00 H new ATOM 820 N LEU A 57 -6.828 1.068 1.158 1.00 0.00 N ATOM 821 CA LEU A 57 -5.453 0.583 1.203 1.00 0.00 C ATOM 822 C LEU A 57 -4.491 1.758 1.156 1.00 0.00 C ATOM 823 O LEU A 57 -3.605 1.812 1.999 1.00 0.00 O ATOM 824 CB LEU A 57 -5.170 -0.370 0.040 1.00 0.00 C ATOM 825 CG LEU A 57 -6.022 -1.649 -0.010 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.624 -2.394 -1.286 1.00 0.00 C ATOM 827 CD2 LEU A 57 -5.832 -2.543 1.226 1.00 0.00 C ATOM 0 H LEU A 57 -7.311 0.868 0.282 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.312 0.035 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.314 0.175 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.120 -0.659 0.081 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.079 -1.382 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.204 -3.313 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.822 -1.763 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.562 -2.637 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.459 -3.430 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.787 -2.843 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.116 -1.990 2.122 1.00 0.00 H new ATOM 839 N ARG A 58 -4.708 2.735 0.262 1.00 0.00 N ATOM 840 CA ARG A 58 -3.979 3.999 0.242 1.00 0.00 C ATOM 841 C ARG A 58 -3.890 4.586 1.657 1.00 0.00 C ATOM 842 O ARG A 58 -2.803 4.880 2.146 1.00 0.00 O ATOM 843 CB ARG A 58 -4.728 4.950 -0.698 1.00 0.00 C ATOM 844 CG ARG A 58 -4.085 6.338 -0.773 1.00 0.00 C ATOM 845 CD ARG A 58 -5.148 7.417 -0.941 1.00 0.00 C ATOM 846 NE ARG A 58 -4.642 8.725 -0.528 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.212 9.888 -0.763 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.370 9.996 -1.381 1.00 0.00 N ATOM 849 NH2 ARG A 58 -4.575 10.945 -0.324 1.00 0.00 N ATOM 0 H ARG A 58 -5.408 2.661 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.959 3.849 -0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.761 4.515 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.759 5.050 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.509 6.526 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.386 6.376 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.466 7.459 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.027 7.161 -0.350 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.764 8.738 -0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.859 9.159 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.777 10.917 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.688 10.838 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.966 11.875 -0.475 1.00 0.00 H new ATOM 863 N LYS A 59 -5.032 4.713 2.338 1.00 0.00 N ATOM 864 CA LYS A 59 -5.106 5.202 3.712 1.00 0.00 C ATOM 865 C LYS A 59 -4.410 4.303 4.746 1.00 0.00 C ATOM 866 O LYS A 59 -3.829 4.843 5.683 1.00 0.00 O ATOM 867 CB LYS A 59 -6.580 5.467 4.058 1.00 0.00 C ATOM 868 CG LYS A 59 -6.940 6.952 3.907 1.00 0.00 C ATOM 869 CD LYS A 59 -6.611 7.557 2.533 1.00 0.00 C ATOM 870 CE LYS A 59 -6.789 9.078 2.542 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.206 9.485 2.495 1.00 0.00 N ATOM 0 H LYS A 59 -5.942 4.475 1.943 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.540 6.132 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.220 4.870 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.777 5.147 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.006 7.074 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.413 7.519 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.585 7.310 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.258 7.117 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.327 9.489 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.264 9.506 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.310 10.431 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.528 9.508 1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.781 8.803 3.030 1.00 0.00 H new ATOM 885 N ALA A 60 -4.384 2.977 4.578 1.00 0.00 N ATOM 886 CA ALA A 60 -3.566 2.107 5.428 1.00 0.00 C ATOM 887 C ALA A 60 -2.063 2.365 5.220 1.00 0.00 C ATOM 888 O ALA A 60 -1.294 2.330 6.178 1.00 0.00 O ATOM 889 CB ALA A 60 -3.948 0.651 5.161 1.00 0.00 C ATOM 0 H ALA A 60 -4.919 2.484 3.863 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.765 2.332 6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.345 -0.004 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.003 0.504 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.769 0.414 4.112 1.00 0.00 H new ATOM 895 N ILE A 61 -1.652 2.716 3.992 1.00 0.00 N ATOM 896 CA ILE A 61 -0.278 3.154 3.705 1.00 0.00 C ATOM 897 C ILE A 61 0.002 4.520 4.350 1.00 0.00 C ATOM 898 O ILE A 61 0.939 4.634 5.138 1.00 0.00 O ATOM 899 CB ILE A 61 0.050 3.146 2.189 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.253 1.801 1.502 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.531 3.512 2.007 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.119 1.790 -0.025 1.00 0.00 C ATOM 0 H ILE A 61 -2.260 2.704 3.173 1.00 0.00 H new ATOM 0 HA ILE A 61 0.395 2.425 4.156 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.597 3.879 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.417 1.045 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.269 1.502 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.778 3.511 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.714 4.503 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.153 2.782 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.355 0.795 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.809 2.515 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.902 2.051 -0.303 1.00 0.00 H new ATOM 914 N GLU A 62 -0.831 5.538 4.111 1.00 0.00 N ATOM 915 CA GLU A 62 -0.717 6.838 4.778 1.00 0.00 C ATOM 916 C GLU A 62 -0.654 6.697 6.307 1.00 0.00 C ATOM 917 O GLU A 62 0.007 7.502 6.946 1.00 0.00 O ATOM 918 CB GLU A 62 -1.874 7.775 4.385 1.00 0.00 C ATOM 919 CG GLU A 62 -1.812 8.212 2.916 1.00 0.00 C ATOM 920 CD GLU A 62 -2.924 9.147 2.438 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.990 9.228 3.086 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.751 9.731 1.341 1.00 0.00 O ATOM 0 H GLU A 62 -1.604 5.483 3.448 1.00 0.00 H new ATOM 0 HA GLU A 62 0.221 7.279 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.823 7.271 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.853 8.658 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.855 8.705 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.826 7.318 2.293 1.00 0.00 H new ATOM 929 N ALA A 63 -1.237 5.646 6.900 1.00 0.00 N ATOM 930 CA ALA A 63 -1.214 5.387 8.341 1.00 0.00 C ATOM 931 C ALA A 63 0.036 4.647 8.857 1.00 0.00 C ATOM 932 O ALA A 63 0.111 4.370 10.051 1.00 0.00 O ATOM 933 CB ALA A 63 -2.513 4.661 8.719 1.00 0.00 C ATOM 0 H ALA A 63 -1.749 4.937 6.376 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.151 6.353 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.518 4.458 9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.368 5.288 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.577 3.721 8.171 1.00 0.00 H new ATOM 939 N VAL A 64 1.025 4.375 8.000 1.00 0.00 N ATOM 940 CA VAL A 64 2.323 3.790 8.397 1.00 0.00 C ATOM 941 C VAL A 64 3.399 4.862 8.545 1.00 0.00 C ATOM 942 O VAL A 64 4.333 4.713 9.327 1.00 0.00 O ATOM 943 CB VAL A 64 2.788 2.660 7.451 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.656 3.063 6.278 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.613 1.643 8.250 1.00 0.00 C ATOM 0 H VAL A 64 0.952 4.554 6.999 1.00 0.00 H new ATOM 0 HA VAL A 64 2.164 3.333 9.374 1.00 0.00 H new ATOM 0 HB VAL A 64 1.855 2.275 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.913 2.179 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.113 3.768 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.568 3.533 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.944 0.843 7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.482 2.139 8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.000 1.224 9.048 1.00 0.00 H new ATOM 955 N SER A 65 3.276 5.968 7.808 1.00 0.00 N ATOM 956 CA SER A 65 4.088 7.163 8.024 1.00 0.00 C ATOM 957 C SER A 65 3.300 8.443 7.663 1.00 0.00 C ATOM 958 O SER A 65 3.609 9.120 6.676 1.00 0.00 O ATOM 959 CB SER A 65 5.483 7.037 7.392 1.00 0.00 C ATOM 960 OG SER A 65 5.938 5.706 7.186 1.00 0.00 O ATOM 0 H SER A 65 2.608 6.058 7.043 1.00 0.00 H new ATOM 0 HA SER A 65 4.300 7.260 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.477 7.554 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.201 7.554 8.029 1.00 0.00 H new ATOM 0 HG SER A 65 6.041 5.540 6.226 1.00 0.00 H new ATOM 966 N PRO A 66 2.255 8.763 8.452 1.00 0.00 N ATOM 967 CA PRO A 66 1.391 9.919 8.235 1.00 0.00 C ATOM 968 C PRO A 66 2.169 11.231 8.302 1.00 0.00 C ATOM 969 O PRO A 66 3.073 11.394 9.121 1.00 0.00 O ATOM 970 CB PRO A 66 0.282 9.836 9.294 1.00 0.00 C ATOM 971 CG PRO A 66 0.844 8.889 10.356 1.00 0.00 C ATOM 972 CD PRO A 66 1.709 7.946 9.527 1.00 0.00 C ATOM 0 HA PRO A 66 0.960 9.904 7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.059 10.817 9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.646 9.452 8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.428 9.421 11.107 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.054 8.356 10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.504 7.510 10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.120 7.119 9.131 1.00 0.00 H new ATOM 980 N GLY A 67 1.825 12.156 7.401 1.00 0.00 N ATOM 981 CA GLY A 67 2.509 13.447 7.227 1.00 0.00 C ATOM 982 C GLY A 67 3.756 13.379 6.339 1.00 0.00 C ATOM 983 O GLY A 67 4.131 14.391 5.755 1.00 0.00 O ATOM 0 H GLY A 67 1.045 12.028 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.808 14.162 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.794 13.830 8.207 1.00 0.00 H new ATOM 987 N LEU A 68 4.369 12.197 6.207 1.00 0.00 N ATOM 988 CA LEU A 68 5.491 11.918 5.303 1.00 0.00 C ATOM 989 C LEU A 68 5.006 11.332 3.968 1.00 0.00 C ATOM 990 O LEU A 68 5.456 11.714 2.890 1.00 0.00 O ATOM 991 CB LEU A 68 6.434 10.951 6.042 1.00 0.00 C ATOM 992 CG LEU A 68 7.650 10.498 5.218 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.598 11.655 4.898 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.396 9.424 6.008 1.00 0.00 C ATOM 0 H LEU A 68 4.087 11.379 6.746 1.00 0.00 H new ATOM 0 HA LEU A 68 6.016 12.838 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.787 11.433 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.867 10.071 6.345 1.00 0.00 H new ATOM 0 HG LEU A 68 7.292 10.105 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.441 11.284 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.066 12.414 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.964 12.093 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.263 9.090 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.725 9.837 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.733 8.578 6.188 1.00 0.00 H new ATOM 1006 N TYR A 69 4.086 10.370 4.038 1.00 0.00 N ATOM 1007 CA TYR A 69 3.672 9.535 2.912 1.00 0.00 C ATOM 1008 C TYR A 69 2.725 10.218 1.913 1.00 0.00 C ATOM 1009 O TYR A 69 1.505 10.267 2.077 1.00 0.00 O ATOM 1010 CB TYR A 69 3.091 8.213 3.445 1.00 0.00 C ATOM 1011 CG TYR A 69 4.098 7.112 3.742 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.470 7.373 3.953 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.657 5.778 3.724 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.371 6.318 4.184 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.561 4.718 3.857 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.914 4.982 4.135 1.00 0.00 C ATOM 1017 OH TYR A 69 6.756 3.956 4.418 1.00 0.00 O ATOM 0 H TYR A 69 3.595 10.144 4.903 1.00 0.00 H new ATOM 0 HA TYR A 69 4.568 9.337 2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.536 8.426 4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.374 7.835 2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.830 8.391 3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.604 5.567 3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.408 6.528 4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.220 3.699 3.746 1.00 0.00 H new ATOM 0 HH TYR A 69 7.633 4.313 4.670 1.00 0.00 H new ATOM 1027 N ARG A 70 3.292 10.640 0.781 1.00 0.00 N ATOM 1028 CA ARG A 70 2.567 11.100 -0.402 1.00 0.00 C ATOM 1029 C ARG A 70 1.978 9.902 -1.165 1.00 0.00 C ATOM 1030 O ARG A 70 2.539 9.479 -2.171 1.00 0.00 O ATOM 1031 CB ARG A 70 3.588 11.856 -1.235 1.00 0.00 C ATOM 1032 CG ARG A 70 3.074 12.479 -2.536 1.00 0.00 C ATOM 1033 CD ARG A 70 1.988 13.553 -2.525 1.00 0.00 C ATOM 1034 NE ARG A 70 1.442 13.835 -3.884 1.00 0.00 N ATOM 1035 CZ ARG A 70 2.052 13.874 -5.077 1.00 0.00 C ATOM 1036 NH1 ARG A 70 3.340 13.661 -5.256 1.00 0.00 N ATOM 1037 NH2 ARG A 70 1.344 14.141 -6.155 1.00 0.00 N ATOM 0 H ARG A 70 4.304 10.671 0.660 1.00 0.00 H new ATOM 0 HA ARG A 70 1.723 11.741 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.012 12.650 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.402 11.174 -1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.937 12.905 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.707 11.662 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.176 13.236 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.396 14.472 -2.104 1.00 0.00 H new ATOM 0 HE ARG A 70 0.441 14.030 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.938 13.451 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.739 13.706 -6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.342 14.316 -6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.798 14.173 -7.068 1.00 0.00 H new ATOM 1051 N VAL A 71 0.896 9.319 -0.665 1.00 0.00 N ATOM 1052 CA VAL A 71 0.301 8.112 -1.278 1.00 0.00 C ATOM 1053 C VAL A 71 -0.685 8.467 -2.377 1.00 0.00 C ATOM 1054 O VAL A 71 -1.583 9.288 -2.211 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.350 7.125 -0.290 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.550 5.740 -0.936 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.542 6.938 0.939 1.00 0.00 C ATOM 0 H VAL A 71 0.404 9.654 0.163 1.00 0.00 H new ATOM 0 HA VAL A 71 1.157 7.588 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.315 7.544 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.011 5.065 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.196 5.835 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.416 5.338 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.070 6.238 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.510 6.545 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.683 7.898 1.436 1.00 0.00 H new ATOM 1067 N SER A 72 -0.482 7.821 -3.518 1.00 0.00 N ATOM 1068 CA SER A 72 -1.291 7.948 -4.717 1.00 0.00 C ATOM 1069 C SER A 72 -1.507 6.566 -5.354 1.00 0.00 C ATOM 1070 O SER A 72 -0.749 5.639 -5.098 1.00 0.00 O ATOM 1071 CB SER A 72 -0.547 8.887 -5.665 1.00 0.00 C ATOM 1072 OG SER A 72 -0.350 10.153 -5.052 1.00 0.00 O ATOM 0 H SER A 72 0.289 7.163 -3.635 1.00 0.00 H new ATOM 0 HA SER A 72 -2.277 8.354 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.415 8.453 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.114 9.007 -6.588 1.00 0.00 H new ATOM 0 HG SER A 72 0.129 10.744 -5.669 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.527 6.403 -6.196 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.767 5.200 -7.016 1.00 0.00 C ATOM 1080 C ILE A 73 -2.165 5.470 -8.391 1.00 0.00 C ATOM 1081 O ILE A 73 -2.438 6.522 -8.966 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.290 4.920 -7.105 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.877 4.673 -5.696 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.597 3.720 -8.025 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.406 4.556 -5.642 1.00 0.00 C ATOM 0 H ILE A 73 -3.236 7.123 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.305 4.316 -6.577 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.760 5.802 -7.539 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.443 3.758 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.567 5.488 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.674 3.556 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.227 3.928 -9.029 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.107 2.828 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.722 4.384 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.855 5.479 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.729 3.722 -6.265 1.00 0.00 H new ATOM 1097 N THR A 74 -1.342 4.549 -8.909 1.00 0.00 N ATOM 1098 CA THR A 74 -0.686 4.699 -10.215 1.00 0.00 C ATOM 1099 C THR A 74 -1.408 3.853 -11.261 1.00 0.00 C ATOM 1100 O THR A 74 -1.332 2.628 -11.261 1.00 0.00 O ATOM 1101 CB THR A 74 0.830 4.460 -10.104 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.410 4.532 -11.384 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.252 3.136 -9.473 1.00 0.00 C ATOM 0 H THR A 74 -1.112 3.677 -8.433 1.00 0.00 H new ATOM 0 HA THR A 74 -0.769 5.728 -10.565 1.00 0.00 H new ATOM 0 HB THR A 74 1.181 5.242 -9.431 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.376 4.381 -11.314 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.340 3.076 -9.447 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.860 3.076 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.857 2.309 -10.064 1.00 0.00 H new