USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= -0.358 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 143:sc= 0.00395 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -4.56! C(o=-4.6!,f=-10!) USER MOD Single : A 10 LYS NZ :NH3+ 152:sc= -0.0402 (180deg=-0.324) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= -0.655 (180deg=-0.829) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.81! C(o=-2.8!,f=-5.2!) USER MOD Single : A 23 THR OG1 : rot 84:sc= 0.957 USER MOD Single : A 27 THR OG1 : rot -160:sc= -2.68! USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 0.727 (180deg=0.483) USER MOD Single : A 29 THR OG1 : rot 82:sc= 1.16 USER MOD Single : A 30 LYS NZ :NH3+ -100:sc= -0.245 (180deg=-1.02) USER MOD Single : A 33 GLN : amide:sc= -0.509 K(o=-0.51,f=-3.5!) USER MOD Single : A 34 SER OG : rot -43:sc= -2.51 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.952 USER MOD Single : A 40 SER OG : rot -61:sc= 0.0507 USER MOD Single : A 41 GLN : amide:sc= -5.29! C(o=-5.3!,f=-6.2!) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.165) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -57:sc= 0.599 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.94 K(o=-2.9,f=-4.3) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -74:sc= 0.717 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 24:sc= -5.84! USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= 0.615 (180deg=-4.51!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 71 MET CE :methyl -161:sc= -0.068 (180deg=-0.77) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.892 -18.079 1.631 1.00 0.00 N ATOM 21 CA VAL A 2 -0.234 -17.605 0.415 1.00 0.00 C ATOM 22 C VAL A 2 0.878 -16.626 0.764 1.00 0.00 C ATOM 23 O VAL A 2 0.684 -15.688 1.538 1.00 0.00 O ATOM 24 CB VAL A 2 -1.264 -16.955 -0.536 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.631 -16.870 0.149 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.824 -15.541 -0.943 1.00 0.00 C ATOM 0 HA VAL A 2 0.211 -18.457 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.332 -17.577 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.350 -16.410 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.969 -17.872 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.548 -16.267 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.567 -15.107 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.730 -14.919 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.138 -15.592 -1.453 1.00 0.00 H new ATOM 36 N SER A 3 2.039 -16.859 0.172 1.00 0.00 N ATOM 37 CA SER A 3 3.200 -16.009 0.393 1.00 0.00 C ATOM 38 C SER A 3 3.410 -15.102 -0.810 1.00 0.00 C ATOM 39 O SER A 3 3.327 -15.549 -1.953 1.00 0.00 O ATOM 40 CB SER A 3 4.445 -16.870 0.611 1.00 0.00 C ATOM 41 OG SER A 3 4.791 -17.513 -0.609 1.00 0.00 O ATOM 0 H SER A 3 2.203 -17.635 -0.469 1.00 0.00 H new ATOM 0 HA SER A 3 3.029 -15.399 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.273 -16.251 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.256 -17.613 1.386 1.00 0.00 H new ATOM 0 HG SER A 3 5.590 -18.064 -0.473 1.00 0.00 H new ATOM 47 N LEU A 4 3.669 -13.826 -0.555 1.00 0.00 N ATOM 48 CA LEU A 4 3.875 -12.876 -1.641 1.00 0.00 C ATOM 49 C LEU A 4 5.118 -12.041 -1.409 1.00 0.00 C ATOM 50 O LEU A 4 5.731 -12.093 -0.345 1.00 0.00 O ATOM 51 CB LEU A 4 2.663 -11.956 -1.767 1.00 0.00 C ATOM 52 CG LEU A 4 1.425 -12.801 -2.052 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.173 -11.928 -1.947 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.521 -13.414 -3.460 1.00 0.00 C ATOM 0 H LEU A 4 3.741 -13.428 0.382 1.00 0.00 H new ATOM 0 HA LEU A 4 4.005 -13.443 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.526 -11.386 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.820 -11.235 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 4 1.363 -13.606 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.711 -12.533 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.103 -11.511 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.233 -11.117 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.634 -14.016 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.590 -12.617 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.408 -14.044 -3.523 1.00 0.00 H new ATOM 66 N THR A 5 5.474 -11.267 -2.422 1.00 0.00 N ATOM 67 CA THR A 5 6.649 -10.402 -2.341 1.00 0.00 C ATOM 68 C THR A 5 6.330 -9.009 -2.864 1.00 0.00 C ATOM 69 O THR A 5 6.021 -8.833 -4.041 1.00 0.00 O ATOM 70 CB THR A 5 7.804 -10.991 -3.158 1.00 0.00 C ATOM 71 OG1 THR A 5 8.359 -12.097 -2.459 1.00 0.00 O ATOM 72 CG2 THR A 5 8.885 -9.921 -3.367 1.00 0.00 C ATOM 0 H THR A 5 4.971 -11.217 -3.308 1.00 0.00 H new ATOM 0 HA THR A 5 6.941 -10.334 -1.293 1.00 0.00 H new ATOM 0 HB THR A 5 7.432 -11.322 -4.128 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.097 -12.477 -2.980 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.706 -10.342 -3.948 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.459 -9.073 -3.902 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.259 -9.588 -2.399 1.00 0.00 H new ATOM 80 N PHE A 6 6.429 -8.020 -1.985 1.00 0.00 N ATOM 81 CA PHE A 6 6.169 -6.642 -2.376 1.00 0.00 C ATOM 82 C PHE A 6 7.490 -5.923 -2.626 1.00 0.00 C ATOM 83 O PHE A 6 8.280 -5.729 -1.702 1.00 0.00 O ATOM 84 CB PHE A 6 5.377 -5.931 -1.278 1.00 0.00 C ATOM 85 CG PHE A 6 4.027 -6.592 -1.143 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.886 -7.748 -0.368 1.00 0.00 C ATOM 87 CD2 PHE A 6 2.917 -6.052 -1.804 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.634 -8.365 -0.252 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.666 -6.670 -1.687 1.00 0.00 C ATOM 90 CZ PHE A 6 1.524 -7.826 -0.912 1.00 0.00 C ATOM 0 H PHE A 6 6.685 -8.145 -1.006 1.00 0.00 H new ATOM 0 HA PHE A 6 5.581 -6.631 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.917 -5.980 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.257 -4.876 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.743 -8.165 0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.026 -5.160 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.525 -9.257 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.809 -6.254 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.559 -8.302 -0.823 1.00 0.00 H new ATOM 100 N LYS A 7 7.737 -5.550 -3.883 1.00 0.00 N ATOM 101 CA LYS A 7 8.985 -4.876 -4.236 1.00 0.00 C ATOM 102 C LYS A 7 8.730 -3.444 -4.702 1.00 0.00 C ATOM 103 O LYS A 7 7.691 -3.143 -5.290 1.00 0.00 O ATOM 104 CB LYS A 7 9.705 -5.666 -5.336 1.00 0.00 C ATOM 105 CG LYS A 7 9.029 -5.419 -6.696 1.00 0.00 C ATOM 106 CD LYS A 7 9.651 -4.190 -7.389 1.00 0.00 C ATOM 107 CE LYS A 7 10.423 -4.634 -8.636 1.00 0.00 C ATOM 108 NZ LYS A 7 11.205 -3.484 -9.172 1.00 0.00 N ATOM 0 H LYS A 7 7.098 -5.701 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 7 9.613 -4.832 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.752 -5.367 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.687 -6.730 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.142 -6.298 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.960 -5.263 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.869 -3.483 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.320 -3.672 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.092 -5.458 -8.388 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.731 -5.002 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.118 -3.824 -9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.673 -3.032 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.370 -2.792 -8.413 1.00 0.00 H new ATOM 122 N ASN A 8 9.691 -2.567 -4.423 1.00 0.00 N ATOM 123 CA ASN A 8 9.584 -1.160 -4.800 1.00 0.00 C ATOM 124 C ASN A 8 10.652 -0.797 -5.832 1.00 0.00 C ATOM 125 O ASN A 8 11.368 -1.664 -6.331 1.00 0.00 O ATOM 126 CB ASN A 8 9.747 -0.283 -3.557 1.00 0.00 C ATOM 127 CG ASN A 8 10.812 -0.873 -2.637 1.00 0.00 C ATOM 128 OD1 ASN A 8 10.873 -2.089 -2.453 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.660 -0.081 -2.040 1.00 0.00 N ATOM 0 H ASN A 8 10.555 -2.807 -3.936 1.00 0.00 H new ATOM 0 HA ASN A 8 8.602 -0.989 -5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.028 0.729 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.797 -0.209 -3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.372 -0.469 -1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.611 0.926 -2.192 1.00 0.00 H new ATOM 136 N PHE A 9 10.751 0.491 -6.146 1.00 0.00 N ATOM 137 CA PHE A 9 11.732 0.957 -7.122 1.00 0.00 C ATOM 138 C PHE A 9 13.135 0.964 -6.517 1.00 0.00 C ATOM 139 O PHE A 9 14.086 1.428 -7.146 1.00 0.00 O ATOM 140 CB PHE A 9 11.367 2.371 -7.593 1.00 0.00 C ATOM 141 CG PHE A 9 10.571 2.295 -8.877 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.503 1.398 -8.987 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.903 3.122 -9.958 1.00 0.00 C ATOM 144 CE1 PHE A 9 8.766 1.328 -10.176 1.00 0.00 C ATOM 145 CE2 PHE A 9 10.167 3.052 -11.146 1.00 0.00 C ATOM 146 CZ PHE A 9 9.098 2.154 -11.255 1.00 0.00 C ATOM 0 H PHE A 9 10.170 1.226 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 9 11.722 0.275 -7.973 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.787 2.881 -6.824 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.273 2.957 -7.750 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.247 0.759 -8.155 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.728 3.814 -9.874 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.941 0.636 -10.260 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.423 3.690 -11.979 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.530 2.099 -12.172 1.00 0.00 H new ATOM 156 N LYS A 10 13.259 0.447 -5.299 1.00 0.00 N ATOM 157 CA LYS A 10 14.555 0.399 -4.629 1.00 0.00 C ATOM 158 C LYS A 10 15.211 -0.955 -4.866 1.00 0.00 C ATOM 159 O LYS A 10 16.264 -1.258 -4.304 1.00 0.00 O ATOM 160 CB LYS A 10 14.382 0.635 -3.128 1.00 0.00 C ATOM 161 CG LYS A 10 13.635 1.953 -2.893 1.00 0.00 C ATOM 162 CD LYS A 10 14.541 3.148 -3.247 1.00 0.00 C ATOM 163 CE LYS A 10 14.024 3.835 -4.515 1.00 0.00 C ATOM 164 NZ LYS A 10 12.714 4.485 -4.230 1.00 0.00 N ATOM 0 H LYS A 10 12.486 0.058 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 10 15.192 1.183 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.829 -0.192 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.356 0.667 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.731 1.980 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.321 2.021 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.561 3.858 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.565 2.807 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.744 4.578 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.913 3.105 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.587 5.301 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.946 3.802 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.694 4.806 -3.241 1.00 0.00 H new ATOM 178 N LYS A 11 14.575 -1.758 -5.711 1.00 0.00 N ATOM 179 CA LYS A 11 15.087 -3.082 -6.046 1.00 0.00 C ATOM 180 C LYS A 11 15.134 -3.989 -4.817 1.00 0.00 C ATOM 181 O LYS A 11 15.976 -4.885 -4.732 1.00 0.00 O ATOM 182 CB LYS A 11 16.490 -2.967 -6.657 1.00 0.00 C ATOM 183 CG LYS A 11 16.472 -1.970 -7.826 1.00 0.00 C ATOM 184 CD LYS A 11 16.018 -2.674 -9.115 1.00 0.00 C ATOM 185 CE LYS A 11 17.240 -3.071 -9.948 1.00 0.00 C ATOM 186 NZ LYS A 11 18.157 -3.907 -9.123 1.00 0.00 N ATOM 0 H LYS A 11 13.701 -1.515 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 11 14.408 -3.527 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.200 -2.638 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.825 -3.944 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.800 -1.143 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.465 -1.544 -7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.431 -3.559 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.372 -2.013 -9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.925 -3.624 -10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.760 -2.179 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.925 -4.274 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.560 -3.329 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.627 -4.703 -8.713 1.00 0.00 H new ATOM 200 N GLU A 12 14.222 -3.764 -3.873 1.00 0.00 N ATOM 201 CA GLU A 12 14.165 -4.582 -2.659 1.00 0.00 C ATOM 202 C GLU A 12 12.817 -5.285 -2.553 1.00 0.00 C ATOM 203 O GLU A 12 11.776 -4.683 -2.803 1.00 0.00 O ATOM 204 CB GLU A 12 14.381 -3.712 -1.418 1.00 0.00 C ATOM 205 CG GLU A 12 15.533 -2.731 -1.663 1.00 0.00 C ATOM 206 CD GLU A 12 16.226 -2.393 -0.346 1.00 0.00 C ATOM 207 OE1 GLU A 12 16.869 -3.272 0.204 1.00 0.00 O ATOM 208 OE2 GLU A 12 16.103 -1.261 0.093 1.00 0.00 O ATOM 0 H GLU A 12 13.517 -3.029 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 12 14.956 -5.329 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.468 -3.164 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.605 -4.341 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.250 -3.167 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.153 -1.821 -2.127 1.00 0.00 H new ATOM 215 N LYS A 13 12.845 -6.562 -2.181 1.00 0.00 N ATOM 216 CA LYS A 13 11.620 -7.343 -2.043 1.00 0.00 C ATOM 217 C LYS A 13 11.278 -7.541 -0.567 1.00 0.00 C ATOM 218 O LYS A 13 12.162 -7.766 0.260 1.00 0.00 O ATOM 219 CB LYS A 13 11.794 -8.709 -2.727 1.00 0.00 C ATOM 220 CG LYS A 13 13.286 -9.045 -2.850 1.00 0.00 C ATOM 221 CD LYS A 13 13.908 -8.263 -4.021 1.00 0.00 C ATOM 222 CE LYS A 13 14.174 -9.209 -5.197 1.00 0.00 C ATOM 223 NZ LYS A 13 14.594 -8.416 -6.388 1.00 0.00 N ATOM 0 H LYS A 13 13.700 -7.076 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 13 10.803 -6.802 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.285 -9.481 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.333 -8.692 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.801 -8.796 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.414 -10.116 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.237 -7.462 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.839 -7.794 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.951 -9.926 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.276 -9.782 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.775 -9.058 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.839 -7.748 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.462 -7.888 -6.165 1.00 0.00 H new ATOM 237 N VAL A 14 9.988 -7.453 -0.248 1.00 0.00 N ATOM 238 CA VAL A 14 9.529 -7.621 1.129 1.00 0.00 C ATOM 239 C VAL A 14 8.547 -8.787 1.228 1.00 0.00 C ATOM 240 O VAL A 14 7.332 -8.593 1.154 1.00 0.00 O ATOM 241 CB VAL A 14 8.843 -6.340 1.607 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.550 -6.445 3.105 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.763 -5.144 1.352 1.00 0.00 C ATOM 0 H VAL A 14 9.245 -7.267 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 14 10.394 -7.831 1.758 1.00 0.00 H new ATOM 0 HB VAL A 14 7.909 -6.204 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.061 -5.532 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.896 -7.297 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.484 -6.581 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.275 -4.231 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.697 -5.281 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.973 -5.067 0.285 1.00 0.00 H new ATOM 253 N PRO A 15 9.046 -9.986 1.389 1.00 0.00 N ATOM 254 CA PRO A 15 8.192 -11.206 1.497 1.00 0.00 C ATOM 255 C PRO A 15 7.115 -11.074 2.572 1.00 0.00 C ATOM 256 O PRO A 15 7.340 -10.472 3.622 1.00 0.00 O ATOM 257 CB PRO A 15 9.181 -12.322 1.849 1.00 0.00 C ATOM 258 CG PRO A 15 10.510 -11.836 1.370 1.00 0.00 C ATOM 259 CD PRO A 15 10.478 -10.311 1.481 1.00 0.00 C ATOM 0 HA PRO A 15 7.643 -11.394 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.195 -12.511 2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.906 -13.259 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.316 -12.252 1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.689 -12.147 0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.907 -9.969 2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.048 -9.839 0.681 1.00 0.00 H new ATOM 267 N LEU A 16 5.949 -11.649 2.298 1.00 0.00 N ATOM 268 CA LEU A 16 4.834 -11.605 3.241 1.00 0.00 C ATOM 269 C LEU A 16 3.946 -12.832 3.078 1.00 0.00 C ATOM 270 O LEU A 16 4.085 -13.590 2.121 1.00 0.00 O ATOM 271 CB LEU A 16 3.978 -10.353 3.004 1.00 0.00 C ATOM 272 CG LEU A 16 4.675 -9.107 3.555 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.825 -7.867 3.238 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.855 -9.231 5.075 1.00 0.00 C ATOM 0 H LEU A 16 5.750 -12.151 1.432 1.00 0.00 H new ATOM 0 HA LEU A 16 5.253 -11.583 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.793 -10.230 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.007 -10.474 3.484 1.00 0.00 H new ATOM 0 HG LEU A 16 5.656 -9.010 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.319 -6.978 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.708 -7.772 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.844 -7.970 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.352 -8.339 5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.879 -9.334 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.462 -10.108 5.299 1.00 0.00 H new ATOM 286 N ASP A 17 3.021 -12.999 4.015 1.00 0.00 N ATOM 287 CA ASP A 17 2.082 -14.117 3.981 1.00 0.00 C ATOM 288 C ASP A 17 0.694 -13.639 4.385 1.00 0.00 C ATOM 289 O ASP A 17 0.540 -12.940 5.385 1.00 0.00 O ATOM 290 CB ASP A 17 2.533 -15.223 4.929 1.00 0.00 C ATOM 291 CG ASP A 17 2.433 -14.749 6.375 1.00 0.00 C ATOM 292 OD1 ASP A 17 2.558 -13.556 6.597 1.00 0.00 O ATOM 293 OD2 ASP A 17 2.236 -15.587 7.239 1.00 0.00 O ATOM 0 H ASP A 17 2.900 -12.373 4.811 1.00 0.00 H new ATOM 0 HA ASP A 17 2.052 -14.512 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.915 -16.110 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.560 -15.510 4.703 1.00 0.00 H new ATOM 298 N LEU A 18 -0.309 -14.009 3.597 1.00 0.00 N ATOM 299 CA LEU A 18 -1.682 -13.592 3.878 1.00 0.00 C ATOM 300 C LEU A 18 -2.679 -14.716 3.630 1.00 0.00 C ATOM 301 O LEU A 18 -2.303 -15.847 3.325 1.00 0.00 O ATOM 302 CB LEU A 18 -2.051 -12.406 2.989 1.00 0.00 C ATOM 303 CG LEU A 18 -1.260 -11.161 3.418 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.393 -10.674 2.255 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.238 -10.060 3.829 1.00 0.00 C ATOM 0 H LEU A 18 -0.202 -14.591 2.766 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.730 -13.315 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.836 -12.642 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.121 -12.209 3.058 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.616 -11.411 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.166 -9.791 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.303 -11.461 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.030 -10.422 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.681 -9.174 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.881 -9.811 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.850 -10.409 4.661 1.00 0.00 H new ATOM 317 N GLU A 19 -3.961 -14.378 3.761 1.00 0.00 N ATOM 318 CA GLU A 19 -5.037 -15.339 3.550 1.00 0.00 C ATOM 319 C GLU A 19 -6.010 -14.808 2.495 1.00 0.00 C ATOM 320 O GLU A 19 -6.161 -13.597 2.340 1.00 0.00 O ATOM 321 CB GLU A 19 -5.778 -15.572 4.872 1.00 0.00 C ATOM 322 CG GLU A 19 -4.772 -15.582 6.024 1.00 0.00 C ATOM 323 CD GLU A 19 -5.470 -15.975 7.322 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.671 -16.188 7.284 1.00 0.00 O ATOM 325 OE2 GLU A 19 -4.794 -16.055 8.334 1.00 0.00 O ATOM 0 H GLU A 19 -4.278 -13.442 4.013 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.616 -16.282 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.519 -14.788 5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.317 -16.519 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.966 -16.283 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.318 -14.597 6.130 1.00 0.00 H new ATOM 332 N PRO A 20 -6.673 -15.677 1.772 1.00 0.00 N ATOM 333 CA PRO A 20 -7.646 -15.262 0.723 1.00 0.00 C ATOM 334 C PRO A 20 -8.635 -14.232 1.255 1.00 0.00 C ATOM 335 O PRO A 20 -9.175 -13.423 0.500 1.00 0.00 O ATOM 336 CB PRO A 20 -8.375 -16.560 0.334 1.00 0.00 C ATOM 337 CG PRO A 20 -7.877 -17.632 1.257 1.00 0.00 C ATOM 338 CD PRO A 20 -6.570 -17.135 1.871 1.00 0.00 C ATOM 0 HA PRO A 20 -7.149 -14.790 -0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.454 -16.440 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.173 -16.820 -0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.612 -17.840 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.716 -18.563 0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.465 -17.460 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.703 -17.513 1.329 1.00 0.00 H new ATOM 346 N SER A 21 -8.873 -14.281 2.559 1.00 0.00 N ATOM 347 CA SER A 21 -9.812 -13.354 3.187 1.00 0.00 C ATOM 348 C SER A 21 -9.143 -12.018 3.486 1.00 0.00 C ATOM 349 O SER A 21 -9.800 -10.977 3.481 1.00 0.00 O ATOM 350 CB SER A 21 -10.355 -13.957 4.482 1.00 0.00 C ATOM 351 OG SER A 21 -9.276 -14.206 5.374 1.00 0.00 O ATOM 0 H SER A 21 -8.436 -14.944 3.199 1.00 0.00 H new ATOM 0 HA SER A 21 -10.634 -13.182 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.072 -13.276 4.941 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.887 -14.884 4.270 1.00 0.00 H new ATOM 0 HG SER A 21 -9.622 -14.591 6.206 1.00 0.00 H new ATOM 357 N ASN A 22 -7.837 -12.041 3.726 1.00 0.00 N ATOM 358 CA ASN A 22 -7.117 -10.808 3.998 1.00 0.00 C ATOM 359 C ASN A 22 -7.193 -9.918 2.771 1.00 0.00 C ATOM 360 O ASN A 22 -7.106 -10.401 1.642 1.00 0.00 O ATOM 361 CB ASN A 22 -5.656 -11.104 4.342 1.00 0.00 C ATOM 362 CG ASN A 22 -5.525 -11.454 5.822 1.00 0.00 C ATOM 363 OD1 ASN A 22 -5.626 -12.622 6.195 1.00 0.00 O ATOM 364 ND2 ASN A 22 -5.304 -10.503 6.690 1.00 0.00 N ATOM 0 H ASN A 22 -7.265 -12.886 3.737 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.570 -10.304 4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.291 -11.930 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.037 -10.238 4.109 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.215 -10.728 7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.221 -9.536 6.377 1.00 0.00 H new ATOM 371 N THR A 23 -7.378 -8.624 2.989 1.00 0.00 N ATOM 372 CA THR A 23 -7.491 -7.694 1.873 1.00 0.00 C ATOM 373 C THR A 23 -6.427 -6.611 1.925 1.00 0.00 C ATOM 374 O THR A 23 -5.820 -6.352 2.964 1.00 0.00 O ATOM 375 CB THR A 23 -8.886 -7.056 1.862 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.776 -5.666 1.584 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.552 -7.255 3.221 1.00 0.00 C ATOM 0 H THR A 23 -7.452 -8.198 3.913 1.00 0.00 H new ATOM 0 HA THR A 23 -7.339 -8.262 0.955 1.00 0.00 H new ATOM 0 HB THR A 23 -9.492 -7.531 1.090 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.722 -5.529 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.543 -6.801 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.644 -8.321 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.946 -6.785 3.996 1.00 0.00 H new ATOM 385 N ILE A 24 -6.217 -5.991 0.773 1.00 0.00 N ATOM 386 CA ILE A 24 -5.241 -4.934 0.623 1.00 0.00 C ATOM 387 C ILE A 24 -5.171 -4.059 1.862 1.00 0.00 C ATOM 388 O ILE A 24 -4.092 -3.652 2.279 1.00 0.00 O ATOM 389 CB ILE A 24 -5.627 -4.082 -0.586 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.884 -4.970 -1.814 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.513 -3.098 -0.891 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.873 -6.116 -1.868 1.00 0.00 C ATOM 0 H ILE A 24 -6.723 -6.212 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.258 -5.383 0.479 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.542 -3.538 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.896 -5.372 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.814 -4.373 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.789 -2.491 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.353 -2.451 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.595 -3.644 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.070 -6.734 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.864 -5.708 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.963 -6.723 -0.967 1.00 0.00 H new ATOM 404 N LEU A 25 -6.316 -3.771 2.448 1.00 0.00 N ATOM 405 CA LEU A 25 -6.345 -2.946 3.638 1.00 0.00 C ATOM 406 C LEU A 25 -5.386 -3.512 4.675 1.00 0.00 C ATOM 407 O LEU A 25 -4.605 -2.782 5.286 1.00 0.00 O ATOM 408 CB LEU A 25 -7.772 -2.919 4.194 1.00 0.00 C ATOM 409 CG LEU A 25 -7.845 -2.128 5.510 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.245 -2.936 6.673 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.104 -0.791 5.368 1.00 0.00 C ATOM 0 H LEU A 25 -7.228 -4.092 2.124 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.036 -1.930 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.442 -2.471 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.119 -3.939 4.361 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.895 -1.935 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.309 -2.353 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.800 -3.867 6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.200 -3.161 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.163 -0.241 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.059 -0.979 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.563 -0.203 4.573 1.00 0.00 H new ATOM 423 N GLU A 26 -5.466 -4.821 4.875 1.00 0.00 N ATOM 424 CA GLU A 26 -4.619 -5.492 5.854 1.00 0.00 C ATOM 425 C GLU A 26 -3.195 -5.704 5.346 1.00 0.00 C ATOM 426 O GLU A 26 -2.244 -5.569 6.116 1.00 0.00 O ATOM 427 CB GLU A 26 -5.231 -6.842 6.233 1.00 0.00 C ATOM 428 CG GLU A 26 -6.620 -6.628 6.836 1.00 0.00 C ATOM 429 CD GLU A 26 -7.139 -7.935 7.424 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.332 -8.695 7.933 1.00 0.00 O ATOM 431 OE2 GLU A 26 -8.336 -8.157 7.357 1.00 0.00 O ATOM 0 H GLU A 26 -6.106 -5.438 4.375 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.563 -4.843 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.301 -7.480 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.589 -7.355 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.575 -5.863 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.306 -6.266 6.070 1.00 0.00 H new ATOM 438 N THR A 27 -3.027 -6.032 4.067 1.00 0.00 N ATOM 439 CA THR A 27 -1.684 -6.239 3.553 1.00 0.00 C ATOM 440 C THR A 27 -0.931 -4.916 3.596 1.00 0.00 C ATOM 441 O THR A 27 0.236 -4.860 3.979 1.00 0.00 O ATOM 442 CB THR A 27 -1.748 -6.824 2.133 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.985 -8.020 2.088 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.189 -5.836 1.112 1.00 0.00 C ATOM 0 H THR A 27 -3.780 -6.156 3.390 1.00 0.00 H new ATOM 0 HA THR A 27 -1.146 -6.958 4.171 1.00 0.00 H new ATOM 0 HB THR A 27 -2.790 -7.028 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.754 -8.226 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.245 -6.273 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.773 -4.916 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.150 -5.613 1.353 1.00 0.00 H new ATOM 452 N LYS A 28 -1.629 -3.852 3.228 1.00 0.00 N ATOM 453 CA LYS A 28 -1.047 -2.519 3.252 1.00 0.00 C ATOM 454 C LYS A 28 -0.737 -2.110 4.689 1.00 0.00 C ATOM 455 O LYS A 28 0.272 -1.455 4.944 1.00 0.00 O ATOM 456 CB LYS A 28 -2.017 -1.516 2.638 1.00 0.00 C ATOM 457 CG LYS A 28 -1.936 -1.600 1.112 1.00 0.00 C ATOM 458 CD LYS A 28 -2.540 -0.335 0.517 1.00 0.00 C ATOM 459 CE LYS A 28 -2.335 -0.325 -0.998 1.00 0.00 C ATOM 460 NZ LYS A 28 -2.712 1.009 -1.542 1.00 0.00 N ATOM 0 H LYS A 28 -2.597 -3.886 2.910 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.124 -2.530 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.033 -1.725 2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.774 -0.507 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.899 -1.708 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.472 -2.479 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.604 -0.285 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.075 0.545 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.295 -0.546 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.940 -1.103 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.901 0.927 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.566 1.353 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.933 1.680 -1.387 1.00 0.00 H new ATOM 474 N THR A 29 -1.604 -2.501 5.628 1.00 0.00 N ATOM 475 CA THR A 29 -1.394 -2.162 7.025 1.00 0.00 C ATOM 476 C THR A 29 -0.122 -2.823 7.537 1.00 0.00 C ATOM 477 O THR A 29 0.720 -2.176 8.160 1.00 0.00 O ATOM 478 CB THR A 29 -2.598 -2.624 7.848 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.679 -1.723 7.649 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.231 -2.661 9.327 1.00 0.00 C ATOM 0 H THR A 29 -2.446 -3.046 5.442 1.00 0.00 H new ATOM 0 HA THR A 29 -1.287 -1.082 7.122 1.00 0.00 H new ATOM 0 HB THR A 29 -2.891 -3.624 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.147 -1.952 6.819 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.093 -2.991 9.908 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.404 -3.354 9.479 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.934 -1.664 9.653 1.00 0.00 H new ATOM 488 N LYS A 30 0.016 -4.112 7.262 1.00 0.00 N ATOM 489 CA LYS A 30 1.197 -4.843 7.689 1.00 0.00 C ATOM 490 C LYS A 30 2.410 -4.361 6.908 1.00 0.00 C ATOM 491 O LYS A 30 3.372 -3.854 7.485 1.00 0.00 O ATOM 492 CB LYS A 30 0.994 -6.341 7.458 1.00 0.00 C ATOM 493 CG LYS A 30 2.157 -7.124 8.077 1.00 0.00 C ATOM 494 CD LYS A 30 2.333 -8.444 7.327 1.00 0.00 C ATOM 495 CE LYS A 30 3.416 -9.284 8.011 1.00 0.00 C ATOM 496 NZ LYS A 30 3.286 -10.706 7.580 1.00 0.00 N ATOM 0 H LYS A 30 -0.669 -4.668 6.750 1.00 0.00 H new ATOM 0 HA LYS A 30 1.361 -4.666 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.051 -6.662 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.932 -6.548 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.074 -6.537 8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.961 -7.315 9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.391 -8.992 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.609 -8.251 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.404 -8.903 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.319 -9.210 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.791 -11.248 8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.745 -10.752 6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.232 -11.111 7.429 1.00 0.00 H new ATOM 510 N LEU A 31 2.355 -4.512 5.588 1.00 0.00 N ATOM 511 CA LEU A 31 3.451 -4.078 4.737 1.00 0.00 C ATOM 512 C LEU A 31 3.935 -2.700 5.170 1.00 0.00 C ATOM 513 O LEU A 31 5.072 -2.315 4.901 1.00 0.00 O ATOM 514 CB LEU A 31 2.983 -4.036 3.281 1.00 0.00 C ATOM 515 CG LEU A 31 4.111 -3.529 2.379 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.353 -4.406 2.560 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.650 -3.590 0.921 1.00 0.00 C ATOM 0 H LEU A 31 1.568 -4.929 5.090 1.00 0.00 H new ATOM 0 HA LEU A 31 4.277 -4.783 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.672 -5.031 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.113 -3.385 3.189 1.00 0.00 H new ATOM 0 HG LEU A 31 4.358 -2.501 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.153 -4.041 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.678 -4.367 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.114 -5.435 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.448 -3.230 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.406 -4.620 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.767 -2.964 0.792 1.00 0.00 H new ATOM 529 N ALA A 32 3.063 -1.967 5.857 1.00 0.00 N ATOM 530 CA ALA A 32 3.413 -0.634 6.342 1.00 0.00 C ATOM 531 C ALA A 32 4.225 -0.754 7.625 1.00 0.00 C ATOM 532 O ALA A 32 5.234 -0.073 7.807 1.00 0.00 O ATOM 533 CB ALA A 32 2.145 0.190 6.606 1.00 0.00 C ATOM 0 H ALA A 32 2.117 -2.269 6.089 1.00 0.00 H new ATOM 0 HA ALA A 32 4.007 -0.127 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.423 1.180 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.575 0.287 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.535 -0.312 7.357 1.00 0.00 H new ATOM 539 N GLN A 33 3.770 -1.634 8.507 1.00 0.00 N ATOM 540 CA GLN A 33 4.448 -1.860 9.778 1.00 0.00 C ATOM 541 C GLN A 33 5.684 -2.725 9.568 1.00 0.00 C ATOM 542 O GLN A 33 6.548 -2.818 10.439 1.00 0.00 O ATOM 543 CB GLN A 33 3.501 -2.542 10.769 1.00 0.00 C ATOM 544 CG GLN A 33 2.383 -1.571 11.168 1.00 0.00 C ATOM 545 CD GLN A 33 2.866 -0.641 12.277 1.00 0.00 C ATOM 546 OE1 GLN A 33 3.851 0.076 12.105 1.00 0.00 O ATOM 547 NE2 GLN A 33 2.225 -0.612 13.414 1.00 0.00 N ATOM 0 H GLN A 33 2.935 -2.203 8.367 1.00 0.00 H new ATOM 0 HA GLN A 33 4.754 -0.896 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.074 -3.439 10.320 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.053 -2.860 11.654 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.073 -0.986 10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.510 -2.129 11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.409 -1.207 13.555 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.541 0.006 14.162 1.00 0.00 H new ATOM 556 N SER A 34 5.757 -3.350 8.401 1.00 0.00 N ATOM 557 CA SER A 34 6.888 -4.205 8.071 1.00 0.00 C ATOM 558 C SER A 34 8.098 -3.339 7.774 1.00 0.00 C ATOM 559 O SER A 34 9.172 -3.531 8.344 1.00 0.00 O ATOM 560 CB SER A 34 6.557 -5.068 6.853 1.00 0.00 C ATOM 561 OG SER A 34 6.515 -4.248 5.693 1.00 0.00 O ATOM 0 H SER A 34 5.049 -3.281 7.670 1.00 0.00 H new ATOM 0 HA SER A 34 7.104 -4.860 8.915 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.307 -5.850 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.598 -5.566 6.995 1.00 0.00 H new ATOM 0 HG SER A 34 6.041 -3.415 5.898 1.00 0.00 H new ATOM 567 N ILE A 35 7.902 -2.365 6.895 1.00 0.00 N ATOM 568 CA ILE A 35 8.962 -1.447 6.543 1.00 0.00 C ATOM 569 C ILE A 35 8.880 -0.226 7.447 1.00 0.00 C ATOM 570 O ILE A 35 9.808 0.579 7.510 1.00 0.00 O ATOM 571 CB ILE A 35 8.833 -1.044 5.076 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.541 -0.246 4.866 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.799 -2.304 4.210 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.239 -0.148 3.367 1.00 0.00 C ATOM 0 H ILE A 35 7.017 -2.195 6.416 1.00 0.00 H new ATOM 0 HA ILE A 35 9.931 -1.927 6.680 1.00 0.00 H new ATOM 0 HB ILE A 35 9.685 -0.425 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.713 -0.731 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.644 0.752 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.707 -2.022 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.720 -2.870 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.946 -2.920 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.320 0.419 3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.063 0.356 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.118 -1.149 2.954 1.00 0.00 H new ATOM 586 N SER A 36 7.759 -0.114 8.164 1.00 0.00 N ATOM 587 CA SER A 36 7.557 0.995 9.094 1.00 0.00 C ATOM 588 C SER A 36 7.043 2.241 8.379 1.00 0.00 C ATOM 589 O SER A 36 7.304 3.363 8.813 1.00 0.00 O ATOM 590 CB SER A 36 8.868 1.322 9.818 1.00 0.00 C ATOM 591 OG SER A 36 8.575 1.813 11.119 1.00 0.00 O ATOM 0 H SER A 36 6.983 -0.774 8.118 1.00 0.00 H new ATOM 0 HA SER A 36 6.805 0.684 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.492 0.431 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.433 2.065 9.255 1.00 0.00 H new ATOM 0 HG SER A 36 9.411 2.022 11.586 1.00 0.00 H new ATOM 597 N CYS A 37 6.299 2.042 7.297 1.00 0.00 N ATOM 598 CA CYS A 37 5.739 3.168 6.551 1.00 0.00 C ATOM 599 C CYS A 37 4.233 3.218 6.756 1.00 0.00 C ATOM 600 O CYS A 37 3.681 2.414 7.503 1.00 0.00 O ATOM 601 CB CYS A 37 6.044 3.024 5.061 1.00 0.00 C ATOM 602 SG CYS A 37 7.801 3.353 4.768 1.00 0.00 S ATOM 0 H CYS A 37 6.070 1.123 6.918 1.00 0.00 H new ATOM 0 HA CYS A 37 6.191 4.090 6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.790 2.019 4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.432 3.718 4.485 1.00 0.00 H new ATOM 0 HG CYS A 37 8.060 3.228 3.500 1.00 0.00 H new ATOM 608 N GLU A 38 3.569 4.158 6.093 1.00 0.00 N ATOM 609 CA GLU A 38 2.121 4.278 6.221 1.00 0.00 C ATOM 610 C GLU A 38 1.429 3.656 5.010 1.00 0.00 C ATOM 611 O GLU A 38 1.929 3.724 3.887 1.00 0.00 O ATOM 612 CB GLU A 38 1.720 5.752 6.377 1.00 0.00 C ATOM 613 CG GLU A 38 1.315 6.336 5.025 1.00 0.00 C ATOM 614 CD GLU A 38 1.251 7.857 5.114 1.00 0.00 C ATOM 615 OE1 GLU A 38 1.963 8.414 5.933 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.492 8.444 4.362 1.00 0.00 O ATOM 0 H GLU A 38 4.002 4.839 5.470 1.00 0.00 H new ATOM 0 HA GLU A 38 1.802 3.739 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.892 5.838 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.552 6.321 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.033 6.038 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.345 5.940 4.724 1.00 0.00 H new ATOM 623 N GLU A 39 0.278 3.055 5.259 1.00 0.00 N ATOM 624 CA GLU A 39 -0.501 2.414 4.205 1.00 0.00 C ATOM 625 C GLU A 39 -1.251 3.459 3.385 1.00 0.00 C ATOM 626 O GLU A 39 -1.687 3.193 2.265 1.00 0.00 O ATOM 627 CB GLU A 39 -1.500 1.427 4.824 1.00 0.00 C ATOM 628 CG GLU A 39 -1.983 1.955 6.181 1.00 0.00 C ATOM 629 CD GLU A 39 -1.059 1.484 7.301 1.00 0.00 C ATOM 630 OE1 GLU A 39 0.136 1.698 7.187 1.00 0.00 O ATOM 631 OE2 GLU A 39 -1.562 0.920 8.257 1.00 0.00 O ATOM 0 H GLU A 39 -0.142 2.996 6.186 1.00 0.00 H new ATOM 0 HA GLU A 39 0.180 1.875 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.349 1.288 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.030 0.451 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.015 3.044 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.999 1.609 6.371 1.00 0.00 H new ATOM 638 N SER A 40 -1.420 4.634 3.972 1.00 0.00 N ATOM 639 CA SER A 40 -2.150 5.718 3.318 1.00 0.00 C ATOM 640 C SER A 40 -1.334 6.378 2.204 1.00 0.00 C ATOM 641 O SER A 40 -1.842 7.251 1.501 1.00 0.00 O ATOM 642 CB SER A 40 -2.551 6.771 4.355 1.00 0.00 C ATOM 643 OG SER A 40 -1.774 7.947 4.166 1.00 0.00 O ATOM 0 H SER A 40 -1.063 4.865 4.899 1.00 0.00 H new ATOM 0 HA SER A 40 -3.039 5.283 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.611 7.004 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.400 6.381 5.361 1.00 0.00 H new ATOM 0 HG SER A 40 -0.825 7.735 4.289 1.00 0.00 H new ATOM 649 N GLN A 41 -0.081 5.960 2.034 1.00 0.00 N ATOM 650 CA GLN A 41 0.764 6.530 0.986 1.00 0.00 C ATOM 651 C GLN A 41 1.191 5.432 0.026 1.00 0.00 C ATOM 652 O GLN A 41 1.425 5.668 -1.160 1.00 0.00 O ATOM 653 CB GLN A 41 1.992 7.201 1.609 1.00 0.00 C ATOM 654 CG GLN A 41 3.105 6.175 1.779 1.00 0.00 C ATOM 655 CD GLN A 41 4.173 6.715 2.722 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.936 5.944 3.305 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.273 8.002 2.905 1.00 0.00 N ATOM 0 H GLN A 41 0.367 5.239 2.600 1.00 0.00 H new ATOM 0 HA GLN A 41 0.200 7.284 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.332 8.020 0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.732 7.633 2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.696 5.245 2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.547 5.943 0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.639 8.637 2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.985 8.374 3.533 1.00 0.00 H new ATOM 666 N ILE A 42 1.289 4.231 0.566 1.00 0.00 N ATOM 667 CA ILE A 42 1.686 3.070 -0.195 1.00 0.00 C ATOM 668 C ILE A 42 0.691 2.774 -1.312 1.00 0.00 C ATOM 669 O ILE A 42 -0.515 2.972 -1.165 1.00 0.00 O ATOM 670 CB ILE A 42 1.786 1.887 0.777 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.252 1.570 1.052 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.089 0.649 0.219 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.343 0.702 2.302 1.00 0.00 C ATOM 0 H ILE A 42 1.094 4.037 1.548 1.00 0.00 H new ATOM 0 HA ILE A 42 2.649 3.250 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 42 1.288 2.168 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.692 1.051 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.817 2.491 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.178 -0.171 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.035 0.870 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.555 0.363 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.388 0.469 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.917 1.239 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.789 -0.224 2.143 1.00 0.00 H new ATOM 685 N LYS A 43 1.221 2.280 -2.421 1.00 0.00 N ATOM 686 CA LYS A 43 0.408 1.924 -3.577 1.00 0.00 C ATOM 687 C LYS A 43 0.770 0.516 -4.032 1.00 0.00 C ATOM 688 O LYS A 43 1.913 0.252 -4.401 1.00 0.00 O ATOM 689 CB LYS A 43 0.650 2.916 -4.717 1.00 0.00 C ATOM 690 CG LYS A 43 0.336 4.340 -4.238 1.00 0.00 C ATOM 691 CD LYS A 43 -0.247 5.155 -5.394 1.00 0.00 C ATOM 692 CE LYS A 43 -0.521 6.584 -4.925 1.00 0.00 C ATOM 693 NZ LYS A 43 -1.689 6.588 -3.999 1.00 0.00 N ATOM 0 H LYS A 43 2.220 2.115 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.646 1.959 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.685 2.855 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.023 2.663 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.372 4.308 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.242 4.817 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.448 5.164 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.169 4.694 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.357 6.987 -4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.721 7.227 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.014 7.565 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.460 6.025 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.409 6.177 -3.086 1.00 0.00 H new ATOM 707 N LEU A 44 -0.201 -0.391 -3.983 1.00 0.00 N ATOM 708 CA LEU A 44 0.042 -1.776 -4.376 1.00 0.00 C ATOM 709 C LEU A 44 -0.360 -2.009 -5.827 1.00 0.00 C ATOM 710 O LEU A 44 -1.536 -1.940 -6.182 1.00 0.00 O ATOM 711 CB LEU A 44 -0.738 -2.718 -3.449 1.00 0.00 C ATOM 712 CG LEU A 44 0.226 -3.421 -2.483 1.00 0.00 C ATOM 713 CD1 LEU A 44 1.114 -2.395 -1.756 1.00 0.00 C ATOM 714 CD2 LEU A 44 -0.579 -4.210 -1.451 1.00 0.00 C ATOM 0 H LEU A 44 -1.155 -0.195 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 44 1.108 -1.983 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.482 -2.154 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.278 -3.458 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 44 0.865 -4.093 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.789 -2.915 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.696 -1.834 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.486 -1.708 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.103 -4.711 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.222 -3.529 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.193 -4.954 -1.959 1.00 0.00 H new ATOM 726 N ILE A 45 0.644 -2.268 -6.659 1.00 0.00 N ATOM 727 CA ILE A 45 0.431 -2.493 -8.080 1.00 0.00 C ATOM 728 C ILE A 45 0.404 -3.982 -8.391 1.00 0.00 C ATOM 729 O ILE A 45 1.347 -4.712 -8.085 1.00 0.00 O ATOM 730 CB ILE A 45 1.574 -1.865 -8.883 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.689 -0.341 -8.657 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.350 -2.133 -10.372 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.869 0.130 -7.462 1.00 0.00 C ATOM 0 H ILE A 45 1.620 -2.327 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.523 -2.041 -8.351 1.00 0.00 H new ATOM 0 HB ILE A 45 2.503 -2.320 -8.539 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.735 -0.077 -8.504 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.356 0.183 -9.553 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.161 -1.688 -10.948 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.327 -3.208 -10.549 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.402 -1.694 -10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.983 1.208 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.182 -0.108 -7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.219 -0.372 -6.560 1.00 0.00 H new ATOM 745 N TYR A 46 -0.675 -4.415 -9.028 1.00 0.00 N ATOM 746 CA TYR A 46 -0.819 -5.809 -9.417 1.00 0.00 C ATOM 747 C TYR A 46 -0.917 -5.889 -10.933 1.00 0.00 C ATOM 748 O TYR A 46 -1.921 -5.494 -11.523 1.00 0.00 O ATOM 749 CB TYR A 46 -2.075 -6.406 -8.777 1.00 0.00 C ATOM 750 CG TYR A 46 -2.171 -7.881 -9.106 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.161 -8.762 -8.695 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.276 -8.368 -9.818 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.257 -10.126 -8.998 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.369 -9.732 -10.120 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.359 -10.610 -9.709 1.00 0.00 C ATOM 756 OH TYR A 46 -2.452 -11.955 -10.007 1.00 0.00 O ATOM 0 H TYR A 46 -1.463 -3.821 -9.286 1.00 0.00 H new ATOM 0 HA TYR A 46 0.046 -6.377 -9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.044 -6.267 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.961 -5.885 -9.140 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.310 -8.389 -8.145 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.056 -7.691 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.479 -10.805 -8.682 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.220 -10.107 -10.670 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.280 -12.123 -10.504 1.00 0.00 H new ATOM 766 N SER A 47 0.143 -6.385 -11.552 1.00 0.00 N ATOM 767 CA SER A 47 0.187 -6.500 -13.002 1.00 0.00 C ATOM 768 C SER A 47 0.082 -5.126 -13.656 1.00 0.00 C ATOM 769 O SER A 47 -0.484 -4.990 -14.741 1.00 0.00 O ATOM 770 CB SER A 47 -0.946 -7.398 -13.498 1.00 0.00 C ATOM 771 OG SER A 47 -0.748 -7.684 -14.877 1.00 0.00 O ATOM 0 H SER A 47 0.982 -6.714 -11.075 1.00 0.00 H new ATOM 0 HA SER A 47 1.142 -6.946 -13.278 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.971 -8.323 -12.923 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.907 -6.905 -13.351 1.00 0.00 H new ATOM 0 HG SER A 47 -0.692 -6.845 -15.380 1.00 0.00 H new ATOM 777 N GLY A 48 0.634 -4.108 -12.997 1.00 0.00 N ATOM 778 CA GLY A 48 0.594 -2.757 -13.541 1.00 0.00 C ATOM 779 C GLY A 48 -0.752 -2.103 -13.267 1.00 0.00 C ATOM 780 O GLY A 48 -1.210 -1.260 -14.038 1.00 0.00 O ATOM 0 H GLY A 48 1.108 -4.193 -12.098 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.391 -2.159 -13.099 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.777 -2.787 -14.615 1.00 0.00 H new ATOM 784 N LYS A 49 -1.387 -2.499 -12.167 1.00 0.00 N ATOM 785 CA LYS A 49 -2.689 -1.941 -11.808 1.00 0.00 C ATOM 786 C LYS A 49 -2.722 -1.574 -10.332 1.00 0.00 C ATOM 787 O LYS A 49 -2.471 -2.411 -9.468 1.00 0.00 O ATOM 788 CB LYS A 49 -3.796 -2.956 -12.108 1.00 0.00 C ATOM 789 CG LYS A 49 -5.168 -2.376 -11.723 1.00 0.00 C ATOM 790 CD LYS A 49 -5.487 -1.116 -12.547 1.00 0.00 C ATOM 791 CE LYS A 49 -5.282 -1.389 -14.040 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.081 -0.413 -14.835 1.00 0.00 N ATOM 0 H LYS A 49 -1.027 -3.196 -11.515 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.853 -1.041 -12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.786 -3.213 -13.167 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.614 -3.877 -11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.942 -3.126 -11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.178 -2.132 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.516 -0.806 -12.365 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.845 -0.294 -12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.226 -1.304 -14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.587 -2.407 -14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.943 -0.596 -15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.089 -0.515 -14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.769 0.554 -14.613 1.00 0.00 H new ATOM 806 N VAL A 50 -3.037 -0.318 -10.050 1.00 0.00 N ATOM 807 CA VAL A 50 -3.098 0.147 -8.671 1.00 0.00 C ATOM 808 C VAL A 50 -4.255 -0.520 -7.929 1.00 0.00 C ATOM 809 O VAL A 50 -5.399 -0.074 -8.022 1.00 0.00 O ATOM 810 CB VAL A 50 -3.278 1.665 -8.640 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.255 2.152 -7.191 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.140 2.329 -9.419 1.00 0.00 C ATOM 0 H VAL A 50 -3.253 0.392 -10.750 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.164 -0.119 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.233 1.927 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.383 3.234 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.065 1.679 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.300 1.890 -6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.267 3.411 -9.398 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.185 2.067 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.156 1.982 -10.452 1.00 0.00 H new ATOM 822 N LEU A 51 -3.956 -1.590 -7.196 1.00 0.00 N ATOM 823 CA LEU A 51 -4.980 -2.303 -6.448 1.00 0.00 C ATOM 824 C LEU A 51 -5.809 -1.335 -5.616 1.00 0.00 C ATOM 825 O LEU A 51 -5.474 -0.157 -5.489 1.00 0.00 O ATOM 826 CB LEU A 51 -4.336 -3.336 -5.522 1.00 0.00 C ATOM 827 CG LEU A 51 -3.735 -4.482 -6.345 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.931 -5.407 -5.419 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.856 -5.278 -7.030 1.00 0.00 C ATOM 0 H LEU A 51 -3.017 -1.978 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.630 -2.808 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.559 -2.863 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.080 -3.728 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.076 -4.071 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.503 -6.222 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.130 -4.840 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.589 -5.816 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.422 -6.090 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.524 -5.691 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.419 -4.619 -7.690 1.00 0.00 H new ATOM 841 N GLN A 52 -6.892 -1.850 -5.049 1.00 0.00 N ATOM 842 CA GLN A 52 -7.781 -1.040 -4.220 1.00 0.00 C ATOM 843 C GLN A 52 -7.698 -1.483 -2.762 1.00 0.00 C ATOM 844 O GLN A 52 -7.231 -2.580 -2.460 1.00 0.00 O ATOM 845 CB GLN A 52 -9.225 -1.166 -4.718 1.00 0.00 C ATOM 846 CG GLN A 52 -9.225 -1.444 -6.222 1.00 0.00 C ATOM 847 CD GLN A 52 -8.408 -0.383 -6.950 1.00 0.00 C ATOM 848 OE1 GLN A 52 -8.227 0.722 -6.438 1.00 0.00 O ATOM 849 NE2 GLN A 52 -7.902 -0.652 -8.122 1.00 0.00 N ATOM 0 H GLN A 52 -7.178 -2.824 -5.147 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.467 0.002 -4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.734 -1.971 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.775 -0.249 -4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.809 -2.432 -6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.248 -1.449 -6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.053 -1.568 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.355 0.054 -8.616 1.00 0.00 H new ATOM 858 N ASP A 53 -8.149 -0.616 -1.867 1.00 0.00 N ATOM 859 CA ASP A 53 -8.120 -0.910 -0.439 1.00 0.00 C ATOM 860 C ASP A 53 -9.293 -1.796 -0.026 1.00 0.00 C ATOM 861 O ASP A 53 -9.312 -2.339 1.078 1.00 0.00 O ATOM 862 CB ASP A 53 -8.187 0.395 0.348 1.00 0.00 C ATOM 863 CG ASP A 53 -6.978 1.265 0.021 1.00 0.00 C ATOM 864 OD1 ASP A 53 -5.960 1.099 0.674 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.086 2.083 -0.877 1.00 0.00 O ATOM 0 H ASP A 53 -8.539 0.296 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.193 -1.441 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.106 0.929 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.215 0.183 1.417 1.00 0.00 H new ATOM 870 N SER A 54 -10.285 -1.912 -0.903 1.00 0.00 N ATOM 871 CA SER A 54 -11.477 -2.705 -0.597 1.00 0.00 C ATOM 872 C SER A 54 -11.483 -4.061 -1.306 1.00 0.00 C ATOM 873 O SER A 54 -12.514 -4.733 -1.335 1.00 0.00 O ATOM 874 CB SER A 54 -12.727 -1.923 -1.002 1.00 0.00 C ATOM 875 OG SER A 54 -12.877 -1.977 -2.415 1.00 0.00 O ATOM 0 H SER A 54 -10.291 -1.473 -1.824 1.00 0.00 H new ATOM 0 HA SER A 54 -11.469 -2.896 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.607 -2.343 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.645 -0.887 -0.673 1.00 0.00 H new ATOM 0 HG SER A 54 -13.678 -1.478 -2.678 1.00 0.00 H new ATOM 881 N LYS A 55 -10.350 -4.472 -1.876 1.00 0.00 N ATOM 882 CA LYS A 55 -10.296 -5.759 -2.568 1.00 0.00 C ATOM 883 C LYS A 55 -9.564 -6.796 -1.728 1.00 0.00 C ATOM 884 O LYS A 55 -8.675 -6.464 -0.947 1.00 0.00 O ATOM 885 CB LYS A 55 -9.581 -5.607 -3.912 1.00 0.00 C ATOM 886 CG LYS A 55 -10.424 -4.745 -4.857 1.00 0.00 C ATOM 887 CD LYS A 55 -11.512 -5.596 -5.523 1.00 0.00 C ATOM 888 CE LYS A 55 -12.164 -4.795 -6.652 1.00 0.00 C ATOM 889 NZ LYS A 55 -13.463 -5.423 -7.023 1.00 0.00 N ATOM 0 H LYS A 55 -9.476 -3.946 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.320 -6.094 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.603 -5.149 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.410 -6.588 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.882 -3.926 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.786 -4.297 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.079 -6.515 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.263 -5.887 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.324 -3.764 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.503 -4.763 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.905 -4.878 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.298 -6.399 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.094 -5.431 -6.196 1.00 0.00 H new ATOM 903 N THR A 56 -9.939 -8.059 -1.907 1.00 0.00 N ATOM 904 CA THR A 56 -9.300 -9.145 -1.176 1.00 0.00 C ATOM 905 C THR A 56 -8.347 -9.890 -2.092 1.00 0.00 C ATOM 906 O THR A 56 -8.562 -9.962 -3.300 1.00 0.00 O ATOM 907 CB THR A 56 -10.339 -10.114 -0.613 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.196 -10.558 -1.657 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.160 -9.415 0.465 1.00 0.00 C ATOM 0 H THR A 56 -10.677 -8.353 -2.547 1.00 0.00 H new ATOM 0 HA THR A 56 -8.745 -8.716 -0.342 1.00 0.00 H new ATOM 0 HB THR A 56 -9.831 -10.974 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.811 -9.836 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.900 -10.108 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.501 -9.085 1.268 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.667 -8.552 0.034 1.00 0.00 H new ATOM 917 N VAL A 57 -7.290 -10.438 -1.513 1.00 0.00 N ATOM 918 CA VAL A 57 -6.306 -11.173 -2.304 1.00 0.00 C ATOM 919 C VAL A 57 -7.021 -12.089 -3.289 1.00 0.00 C ATOM 920 O VAL A 57 -6.600 -12.240 -4.436 1.00 0.00 O ATOM 921 CB VAL A 57 -5.378 -11.988 -1.384 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.066 -13.355 -2.008 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.066 -11.224 -1.179 1.00 0.00 C ATOM 0 H VAL A 57 -7.090 -10.391 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.695 -10.463 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.880 -12.139 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.409 -13.917 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.994 -13.908 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.573 -13.212 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.408 -11.799 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.580 -11.071 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.276 -10.258 -0.720 1.00 0.00 H new ATOM 933 N SER A 58 -8.110 -12.688 -2.833 1.00 0.00 N ATOM 934 CA SER A 58 -8.889 -13.577 -3.675 1.00 0.00 C ATOM 935 C SER A 58 -9.452 -12.804 -4.860 1.00 0.00 C ATOM 936 O SER A 58 -9.564 -13.332 -5.967 1.00 0.00 O ATOM 937 CB SER A 58 -10.031 -14.175 -2.861 1.00 0.00 C ATOM 938 OG SER A 58 -10.588 -15.276 -3.565 1.00 0.00 O ATOM 0 H SER A 58 -8.472 -12.574 -1.886 1.00 0.00 H new ATOM 0 HA SER A 58 -8.249 -14.378 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.666 -14.500 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.797 -13.421 -2.680 1.00 0.00 H new ATOM 0 HG SER A 58 -11.321 -15.662 -3.042 1.00 0.00 H new ATOM 944 N GLU A 59 -9.794 -11.543 -4.615 1.00 0.00 N ATOM 945 CA GLU A 59 -10.333 -10.686 -5.660 1.00 0.00 C ATOM 946 C GLU A 59 -9.197 -10.072 -6.468 1.00 0.00 C ATOM 947 O GLU A 59 -9.315 -9.882 -7.679 1.00 0.00 O ATOM 948 CB GLU A 59 -11.181 -9.578 -5.036 1.00 0.00 C ATOM 949 CG GLU A 59 -12.511 -10.164 -4.553 1.00 0.00 C ATOM 950 CD GLU A 59 -13.364 -9.069 -3.923 1.00 0.00 C ATOM 951 OE1 GLU A 59 -13.186 -8.810 -2.745 1.00 0.00 O ATOM 952 OE2 GLU A 59 -14.184 -8.504 -4.630 1.00 0.00 O ATOM 0 H GLU A 59 -9.707 -11.094 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.957 -11.285 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.647 -9.123 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.363 -8.789 -5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.044 -10.616 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.327 -10.956 -3.827 1.00 0.00 H new ATOM 959 N CYS A 60 -8.095 -9.771 -5.790 1.00 0.00 N ATOM 960 CA CYS A 60 -6.938 -9.185 -6.455 1.00 0.00 C ATOM 961 C CYS A 60 -6.369 -10.159 -7.482 1.00 0.00 C ATOM 962 O CYS A 60 -5.781 -9.749 -8.483 1.00 0.00 O ATOM 963 CB CYS A 60 -5.868 -8.835 -5.421 1.00 0.00 C ATOM 964 SG CYS A 60 -6.665 -8.178 -3.936 1.00 0.00 S ATOM 0 H CYS A 60 -7.979 -9.922 -4.788 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.251 -8.276 -6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.283 -9.720 -5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.176 -8.100 -5.832 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.891 -8.606 -3.876 1.00 0.00 H new ATOM 970 N GLY A 61 -6.557 -11.452 -7.231 1.00 0.00 N ATOM 971 CA GLY A 61 -6.070 -12.481 -8.145 1.00 0.00 C ATOM 972 C GLY A 61 -4.726 -13.043 -7.691 1.00 0.00 C ATOM 973 O GLY A 61 -4.131 -13.874 -8.377 1.00 0.00 O ATOM 0 H GLY A 61 -7.040 -11.811 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.800 -13.288 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.971 -12.062 -9.146 1.00 0.00 H new ATOM 977 N LEU A 62 -4.247 -12.590 -6.536 1.00 0.00 N ATOM 978 CA LEU A 62 -2.973 -13.064 -6.021 1.00 0.00 C ATOM 979 C LEU A 62 -3.075 -14.517 -5.588 1.00 0.00 C ATOM 980 O LEU A 62 -4.136 -14.986 -5.177 1.00 0.00 O ATOM 981 CB LEU A 62 -2.535 -12.214 -4.828 1.00 0.00 C ATOM 982 CG LEU A 62 -2.101 -10.831 -5.313 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.248 -9.818 -4.177 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.639 -10.880 -5.767 1.00 0.00 C ATOM 0 H LEU A 62 -4.718 -11.903 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.235 -12.981 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.355 -12.120 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.712 -12.701 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.731 -10.530 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.938 -8.833 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.289 -9.779 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.622 -10.119 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.332 -9.893 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.009 -11.184 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.535 -11.598 -6.581 1.00 0.00 H new ATOM 996 N LYS A 63 -1.955 -15.220 -5.679 1.00 0.00 N ATOM 997 CA LYS A 63 -1.900 -16.623 -5.292 1.00 0.00 C ATOM 998 C LYS A 63 -0.759 -16.855 -4.308 1.00 0.00 C ATOM 999 O LYS A 63 -0.266 -15.915 -3.684 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.734 -17.503 -6.535 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.502 -17.063 -7.334 1.00 0.00 C ATOM 1002 CD LYS A 63 0.766 -17.633 -6.691 1.00 0.00 C ATOM 1003 CE LYS A 63 1.887 -17.695 -7.731 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.159 -18.097 -7.068 1.00 0.00 N ATOM 0 H LYS A 63 -1.071 -14.841 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.834 -16.893 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.631 -18.547 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.625 -17.435 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.584 -17.407 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.447 -15.975 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.071 -17.010 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.569 -18.629 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.632 -18.409 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.006 -16.724 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.859 -17.334 -7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.983 -18.275 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.524 -18.963 -7.514 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.352 -18.110 -4.161 1.00 0.00 N ATOM 1019 CA ASP A 64 0.722 -18.455 -3.235 1.00 0.00 C ATOM 1020 C ASP A 64 2.095 -18.285 -3.879 1.00 0.00 C ATOM 1021 O ASP A 64 2.393 -18.890 -4.909 1.00 0.00 O ATOM 1022 CB ASP A 64 0.554 -19.902 -2.770 1.00 0.00 C ATOM 1023 CG ASP A 64 0.664 -20.849 -3.960 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.357 -21.127 -4.567 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.768 -21.282 -4.248 1.00 0.00 O ATOM 0 H ASP A 64 -0.746 -18.903 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 64 0.661 -17.778 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.316 -20.145 -2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.414 -20.026 -2.284 1.00 0.00 H new ATOM 1030 N GLY A 65 2.937 -17.480 -3.240 1.00 0.00 N ATOM 1031 CA GLY A 65 4.297 -17.257 -3.732 1.00 0.00 C ATOM 1032 C GLY A 65 4.368 -16.209 -4.848 1.00 0.00 C ATOM 1033 O GLY A 65 5.433 -16.003 -5.430 1.00 0.00 O ATOM 0 H GLY A 65 2.707 -16.973 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.929 -16.940 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.703 -18.199 -4.100 1.00 0.00 H new ATOM 1037 N ASP A 66 3.253 -15.552 -5.157 1.00 0.00 N ATOM 1038 CA ASP A 66 3.259 -14.546 -6.220 1.00 0.00 C ATOM 1039 C ASP A 66 4.080 -13.323 -5.811 1.00 0.00 C ATOM 1040 O ASP A 66 4.719 -13.308 -4.758 1.00 0.00 O ATOM 1041 CB ASP A 66 1.821 -14.110 -6.558 1.00 0.00 C ATOM 1042 CG ASP A 66 1.620 -14.066 -8.073 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.598 -13.877 -8.776 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.489 -14.219 -8.504 1.00 0.00 O ATOM 0 H ASP A 66 2.352 -15.692 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 66 3.715 -14.996 -7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.109 -14.803 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.622 -13.128 -6.130 1.00 0.00 H new ATOM 1049 N GLN A 67 4.047 -12.297 -6.654 1.00 0.00 N ATOM 1050 CA GLN A 67 4.777 -11.060 -6.389 1.00 0.00 C ATOM 1051 C GLN A 67 3.890 -9.861 -6.701 1.00 0.00 C ATOM 1052 O GLN A 67 3.114 -9.889 -7.657 1.00 0.00 O ATOM 1053 CB GLN A 67 6.043 -11.002 -7.246 1.00 0.00 C ATOM 1054 CG GLN A 67 6.779 -12.341 -7.163 1.00 0.00 C ATOM 1055 CD GLN A 67 8.069 -12.276 -7.973 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.345 -11.269 -8.625 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.883 -13.298 -7.969 1.00 0.00 N ATOM 0 H GLN A 67 3.522 -12.296 -7.528 1.00 0.00 H new ATOM 0 HA GLN A 67 5.060 -11.035 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.784 -10.781 -8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.692 -10.197 -6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.004 -12.578 -6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.142 -13.140 -7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.652 -14.131 -7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.749 -13.262 -8.507 1.00 0.00 H new ATOM 1066 N VAL A 68 3.994 -8.814 -5.887 1.00 0.00 N ATOM 1067 CA VAL A 68 3.178 -7.621 -6.088 1.00 0.00 C ATOM 1068 C VAL A 68 4.040 -6.365 -6.102 1.00 0.00 C ATOM 1069 O VAL A 68 4.671 -6.020 -5.106 1.00 0.00 O ATOM 1070 CB VAL A 68 2.137 -7.510 -4.966 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.872 -6.825 -5.494 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.786 -8.911 -4.455 1.00 0.00 C ATOM 0 H VAL A 68 4.629 -8.767 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 68 2.677 -7.710 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 68 2.550 -6.917 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.137 -6.750 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.122 -5.826 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.456 -7.411 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.047 -8.833 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.377 -9.505 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.684 -9.394 -4.070 1.00 0.00 H new ATOM 1082 N VAL A 69 4.046 -5.671 -7.230 1.00 0.00 N ATOM 1083 CA VAL A 69 4.814 -4.445 -7.343 1.00 0.00 C ATOM 1084 C VAL A 69 4.117 -3.354 -6.547 1.00 0.00 C ATOM 1085 O VAL A 69 2.894 -3.290 -6.523 1.00 0.00 O ATOM 1086 CB VAL A 69 4.926 -4.031 -8.812 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.893 -2.853 -8.945 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.449 -5.214 -9.631 1.00 0.00 C ATOM 0 H VAL A 69 3.533 -5.934 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 69 5.818 -4.603 -6.950 1.00 0.00 H new ATOM 0 HB VAL A 69 3.944 -3.733 -9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.970 -2.562 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.523 -2.011 -8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.876 -3.146 -8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.530 -4.924 -10.678 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.430 -5.509 -9.259 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.759 -6.053 -9.540 1.00 0.00 H new ATOM 1098 N PHE A 70 4.896 -2.509 -5.889 1.00 0.00 N ATOM 1099 CA PHE A 70 4.324 -1.427 -5.086 1.00 0.00 C ATOM 1100 C PHE A 70 5.261 -0.224 -5.038 1.00 0.00 C ATOM 1101 O PHE A 70 6.386 -0.281 -5.534 1.00 0.00 O ATOM 1102 CB PHE A 70 4.034 -1.916 -3.663 1.00 0.00 C ATOM 1103 CG PHE A 70 5.277 -1.816 -2.809 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.271 -2.797 -2.895 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.432 -0.739 -1.928 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.420 -2.700 -2.100 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.579 -0.643 -1.134 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.573 -1.624 -1.219 1.00 0.00 C ATOM 0 H PHE A 70 5.915 -2.546 -5.891 1.00 0.00 H new ATOM 0 HA PHE A 70 3.391 -1.118 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.234 -1.321 -3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.686 -2.948 -3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.152 -3.628 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.665 0.018 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.188 -3.456 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.698 0.188 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.458 -1.551 -0.605 1.00 0.00 H new ATOM 1118 N MET A 71 4.787 0.863 -4.433 1.00 0.00 N ATOM 1119 CA MET A 71 5.589 2.079 -4.319 1.00 0.00 C ATOM 1120 C MET A 71 5.076 2.956 -3.180 1.00 0.00 C ATOM 1121 O MET A 71 3.868 3.101 -2.993 1.00 0.00 O ATOM 1122 CB MET A 71 5.531 2.871 -5.629 1.00 0.00 C ATOM 1123 CG MET A 71 6.306 2.130 -6.723 1.00 0.00 C ATOM 1124 SD MET A 71 6.658 3.268 -8.087 1.00 0.00 S ATOM 1125 CE MET A 71 4.944 3.583 -8.572 1.00 0.00 C ATOM 0 H MET A 71 3.858 0.927 -4.017 1.00 0.00 H new ATOM 0 HA MET A 71 6.619 1.790 -4.110 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.494 3.008 -5.935 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.954 3.865 -5.482 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.236 1.731 -6.318 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.725 1.281 -7.084 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.920 3.982 -9.586 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.378 2.652 -8.535 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.499 4.305 -7.888 1.00 0.00 H new ATOM 1135 N VAL A 72 6.001 3.546 -2.425 1.00 0.00 N ATOM 1136 CA VAL A 72 5.627 4.414 -1.311 1.00 0.00 C ATOM 1137 C VAL A 72 5.561 5.867 -1.767 1.00 0.00 C ATOM 1138 O VAL A 72 6.500 6.379 -2.375 1.00 0.00 O ATOM 1139 CB VAL A 72 6.640 4.284 -0.173 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.076 4.944 1.088 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.906 2.803 0.104 1.00 0.00 C ATOM 0 H VAL A 72 7.006 3.440 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 72 4.644 4.106 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 72 7.571 4.775 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.797 4.852 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.883 5.999 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.146 4.452 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.628 2.709 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.975 2.313 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.305 2.331 -0.794 1.00 0.00 H new ATOM 1151 N SER A 73 4.446 6.527 -1.469 1.00 0.00 N ATOM 1152 CA SER A 73 4.272 7.924 -1.856 1.00 0.00 C ATOM 1153 C SER A 73 4.734 8.850 -0.733 1.00 0.00 C ATOM 1154 O SER A 73 4.864 8.429 0.416 1.00 0.00 O ATOM 1155 CB SER A 73 2.803 8.198 -2.187 1.00 0.00 C ATOM 1156 OG SER A 73 2.722 9.293 -3.090 1.00 0.00 O ATOM 0 H SER A 73 3.656 6.123 -0.966 1.00 0.00 H new ATOM 0 HA SER A 73 4.879 8.117 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.346 7.312 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.248 8.421 -1.276 1.00 0.00 H new ATOM 0 HG SER A 73 1.783 9.470 -3.306 1.00 0.00 H new