USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 889 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 1 MET CE :methyl -168:sc= -0.0071 (180deg=-0.207) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0337 (180deg=-0.251) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.607 K(o=-0.61,f=-6!) USER MOD Single : A 18 MET CE :methyl -134:sc= -0.684 (180deg=-1.14) USER MOD Single : A 19 MET CE :methyl -128:sc= -0.0832 (180deg=-0.683) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -178:sc= 1.21 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.8!) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0133 (180deg=-0.173) USER MOD Single : A 65 SER OG : rot 100:sc= -0.0195 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00716 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 102 LYS NZ :NH3+ -159:sc= -0.0895 (180deg=-0.554) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 106 MET CE :methyl -172:sc= -2.32! (180deg=-2.61!) USER MOD Single : A 111 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0729) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.588 2.643 -5.458 1.00 0.00 N ATOM 2 CA MET A 1 2.869 1.958 -5.197 1.00 0.00 C ATOM 3 C MET A 1 3.741 2.785 -4.262 1.00 0.00 C ATOM 4 O MET A 1 3.489 3.972 -4.067 1.00 0.00 O ATOM 5 CB MET A 1 3.618 1.675 -6.505 1.00 0.00 C ATOM 6 CG MET A 1 2.816 0.732 -7.400 1.00 0.00 C ATOM 7 SD MET A 1 2.392 -0.860 -6.636 1.00 0.00 S ATOM 8 CE MET A 1 4.058 -1.556 -6.465 1.00 0.00 C ATOM 0 H1 MET A 1 0.801 1.986 -5.283 1.00 0.00 H new ATOM 0 H2 MET A 1 1.499 3.466 -4.828 1.00 0.00 H new ATOM 0 H3 MET A 1 1.560 2.961 -6.448 1.00 0.00 H new ATOM 0 HA MET A 1 2.645 1.006 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.805 2.611 -7.031 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.590 1.234 -6.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.895 1.233 -7.700 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.387 0.543 -8.309 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.986 -2.614 -6.212 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.597 -1.444 -7.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.593 -1.029 -5.675 1.00 0.00 H new ATOM 20 N SER A 2 4.765 2.152 -3.684 1.00 0.00 N ATOM 21 CA SER A 2 5.695 2.822 -2.779 1.00 0.00 C ATOM 22 C SER A 2 6.556 3.836 -3.536 1.00 0.00 C ATOM 23 O SER A 2 6.632 3.806 -4.762 1.00 0.00 O ATOM 24 CB SER A 2 6.577 1.778 -2.090 1.00 0.00 C ATOM 25 OG SER A 2 5.769 0.912 -1.319 1.00 0.00 O ATOM 0 H SER A 2 4.970 1.164 -3.831 1.00 0.00 H new ATOM 0 HA SER A 2 5.125 3.365 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.132 1.208 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.311 2.271 -1.453 1.00 0.00 H new ATOM 0 HG SER A 2 6.334 0.243 -0.879 1.00 0.00 H new ATOM 31 N ALA A 3 7.207 4.741 -2.796 1.00 0.00 N ATOM 32 CA ALA A 3 8.064 5.761 -3.381 1.00 0.00 C ATOM 33 C ALA A 3 9.407 5.182 -3.844 1.00 0.00 C ATOM 34 O ALA A 3 10.277 5.926 -4.293 1.00 0.00 O ATOM 35 CB ALA A 3 8.274 6.880 -2.362 1.00 0.00 C ATOM 0 H ALA A 3 7.150 4.781 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 3 7.574 6.161 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.916 7.649 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.311 7.317 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.746 6.474 -1.467 1.00 0.00 H new ATOM 41 N LEU A 4 9.575 3.862 -3.736 1.00 0.00 N ATOM 42 CA LEU A 4 10.797 3.184 -4.131 1.00 0.00 C ATOM 43 C LEU A 4 10.463 1.765 -4.580 1.00 0.00 C ATOM 44 O LEU A 4 10.148 0.910 -3.753 1.00 0.00 O ATOM 45 CB LEU A 4 11.773 3.194 -2.946 1.00 0.00 C ATOM 46 CG LEU A 4 12.941 2.216 -3.127 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.712 2.524 -4.408 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.897 2.342 -1.947 1.00 0.00 C ATOM 0 H LEU A 4 8.858 3.236 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 4 11.272 3.695 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.167 4.202 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.232 2.941 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 4 12.535 1.206 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.536 1.818 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.044 2.436 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.108 3.538 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.727 1.647 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.281 3.361 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.368 2.108 -1.023 1.00 0.00 H new ATOM 60 N THR A 5 10.536 1.523 -5.894 1.00 0.00 N ATOM 61 CA THR A 5 10.307 0.201 -6.460 1.00 0.00 C ATOM 62 C THR A 5 11.214 -0.109 -7.647 1.00 0.00 C ATOM 63 O THR A 5 11.575 -1.266 -7.850 1.00 0.00 O ATOM 64 CB THR A 5 8.834 0.005 -6.842 1.00 0.00 C ATOM 65 OG1 THR A 5 8.593 0.605 -8.097 1.00 0.00 O ATOM 66 CG2 THR A 5 7.866 0.594 -5.817 1.00 0.00 C ATOM 0 H THR A 5 10.755 2.239 -6.587 1.00 0.00 H new ATOM 0 HA THR A 5 10.563 -0.509 -5.674 1.00 0.00 H new ATOM 0 HB THR A 5 8.656 -1.070 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.653 0.480 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.841 0.423 -6.145 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.023 0.115 -4.851 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.043 1.665 -5.723 1.00 0.00 H new ATOM 74 N GLN A 6 11.590 0.905 -8.434 1.00 0.00 N ATOM 75 CA GLN A 6 12.459 0.698 -9.583 1.00 0.00 C ATOM 76 C GLN A 6 13.903 0.626 -9.095 1.00 0.00 C ATOM 77 O GLN A 6 14.455 1.639 -8.674 1.00 0.00 O ATOM 78 CB GLN A 6 12.287 1.851 -10.585 1.00 0.00 C ATOM 79 CG GLN A 6 10.813 2.202 -10.835 1.00 0.00 C ATOM 80 CD GLN A 6 10.007 1.033 -11.399 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.557 0.050 -11.880 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.682 1.141 -11.341 1.00 0.00 N ATOM 0 H GLN A 6 11.303 1.873 -8.291 1.00 0.00 H new ATOM 0 HA GLN A 6 12.198 -0.233 -10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.808 2.733 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.757 1.579 -11.530 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.360 2.530 -9.900 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.758 3.042 -11.528 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.255 1.973 -10.934 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.093 0.391 -11.704 1.00 0.00 H new ATOM 91 N ILE A 7 14.516 -0.558 -9.148 1.00 0.00 N ATOM 92 CA ILE A 7 15.879 -0.737 -8.657 1.00 0.00 C ATOM 93 C ILE A 7 16.749 -1.440 -9.697 1.00 0.00 C ATOM 94 O ILE A 7 16.307 -2.403 -10.325 1.00 0.00 O ATOM 95 CB ILE A 7 15.843 -1.508 -7.326 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.123 -0.642 -6.282 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.271 -1.833 -6.866 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.122 -1.279 -4.892 1.00 0.00 C ATOM 0 H ILE A 7 14.089 -1.404 -9.526 1.00 0.00 H new ATOM 0 HA ILE A 7 16.330 0.239 -8.480 1.00 0.00 H new ATOM 0 HB ILE A 7 15.308 -2.449 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.605 0.334 -6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.095 -0.473 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.234 -2.379 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.766 -2.445 -7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.828 -0.907 -6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.600 -0.626 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.616 -2.243 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.149 -1.423 -4.557 1.00 0.00 H new ATOM 110 N LEU A 8 17.985 -0.955 -9.873 1.00 0.00 N ATOM 111 CA LEU A 8 18.966 -1.611 -10.725 1.00 0.00 C ATOM 112 C LEU A 8 19.925 -2.434 -9.871 1.00 0.00 C ATOM 113 O LEU A 8 20.156 -2.112 -8.705 1.00 0.00 O ATOM 114 CB LEU A 8 19.744 -0.568 -11.540 1.00 0.00 C ATOM 115 CG LEU A 8 20.404 -1.215 -12.766 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.381 -1.381 -13.887 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.554 -0.351 -13.280 1.00 0.00 C ATOM 0 H LEU A 8 18.325 -0.102 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 8 18.447 -2.275 -11.416 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.070 0.226 -11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.506 -0.105 -10.913 1.00 0.00 H new ATOM 0 HG LEU A 8 20.789 -2.189 -12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.860 -1.841 -14.752 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.565 -2.017 -13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.987 -0.404 -14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.007 -0.828 -14.149 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.174 0.631 -13.562 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.303 -0.238 -12.496 1.00 0.00 H new ATOM 129 N ILE A 9 20.487 -3.492 -10.449 1.00 0.00 N ATOM 130 CA ILE A 9 21.490 -4.307 -9.783 1.00 0.00 C ATOM 131 C ILE A 9 22.757 -4.317 -10.627 1.00 0.00 C ATOM 132 O ILE A 9 22.688 -4.379 -11.857 1.00 0.00 O ATOM 133 CB ILE A 9 20.951 -5.731 -9.573 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.650 -5.709 -8.758 1.00 0.00 C ATOM 135 CG2 ILE A 9 21.998 -6.596 -8.866 1.00 0.00 C ATOM 136 CD1 ILE A 9 18.892 -7.026 -8.939 1.00 0.00 C ATOM 0 H ILE A 9 20.258 -3.806 -11.392 1.00 0.00 H new ATOM 0 HA ILE A 9 21.723 -3.890 -8.803 1.00 0.00 H new ATOM 0 HB ILE A 9 20.737 -6.161 -10.552 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.875 -5.553 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.026 -4.875 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.603 -7.602 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.901 -6.644 -9.474 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.236 -6.159 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.971 -6.999 -8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.651 -7.165 -9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.514 -7.854 -8.597 1.00 0.00 H new ATOM 148 N VAL A 10 23.915 -4.253 -9.972 1.00 0.00 N ATOM 149 CA VAL A 10 25.195 -4.269 -10.655 1.00 0.00 C ATOM 150 C VAL A 10 26.136 -5.231 -9.947 1.00 0.00 C ATOM 151 O VAL A 10 26.669 -4.914 -8.883 1.00 0.00 O ATOM 152 CB VAL A 10 25.776 -2.856 -10.751 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.018 -2.863 -11.641 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.753 -1.876 -11.331 1.00 0.00 C ATOM 0 H VAL A 10 23.986 -4.189 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 10 25.059 -4.622 -11.677 1.00 0.00 H new ATOM 0 HB VAL A 10 26.039 -2.534 -9.744 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.426 -1.854 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.767 -3.531 -11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.749 -3.209 -12.639 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.194 -0.881 -11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.463 -2.201 -12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.872 -1.847 -10.689 1.00 0.00 H new ATOM 164 N GLU A 11 26.336 -6.404 -10.540 1.00 0.00 N ATOM 165 CA GLU A 11 27.057 -7.497 -9.907 1.00 0.00 C ATOM 166 C GLU A 11 27.617 -8.433 -10.979 1.00 0.00 C ATOM 167 O GLU A 11 26.945 -8.707 -11.974 1.00 0.00 O ATOM 168 CB GLU A 11 26.079 -8.239 -8.986 1.00 0.00 C ATOM 169 CG GLU A 11 26.708 -9.475 -8.343 1.00 0.00 C ATOM 170 CD GLU A 11 27.706 -9.131 -7.239 1.00 0.00 C ATOM 171 OE1 GLU A 11 27.775 -7.941 -6.864 1.00 0.00 O ATOM 172 OE2 GLU A 11 28.394 -10.070 -6.781 1.00 0.00 O ATOM 0 H GLU A 11 26.000 -6.622 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 11 27.895 -7.121 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.735 -7.561 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 11 25.201 -8.538 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.919 -10.104 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 11 27.212 -10.061 -9.112 1.00 0.00 H new ATOM 179 N ASP A 12 28.842 -8.925 -10.782 1.00 0.00 N ATOM 180 CA ASP A 12 29.468 -9.836 -11.731 1.00 0.00 C ATOM 181 C ASP A 12 29.214 -11.308 -11.392 1.00 0.00 C ATOM 182 O ASP A 12 29.234 -12.159 -12.280 1.00 0.00 O ATOM 183 CB ASP A 12 30.958 -9.500 -11.858 1.00 0.00 C ATOM 184 CG ASP A 12 31.743 -10.589 -12.587 1.00 0.00 C ATOM 185 OD1 ASP A 12 32.758 -11.041 -12.019 1.00 0.00 O ATOM 186 OD2 ASP A 12 31.314 -10.956 -13.705 1.00 0.00 O ATOM 0 H ASP A 12 29.418 -8.704 -9.970 1.00 0.00 H new ATOM 0 HA ASP A 12 29.003 -9.692 -12.706 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.070 -8.556 -12.392 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.381 -9.356 -10.864 1.00 0.00 H new ATOM 191 N GLU A 13 28.974 -11.619 -10.111 1.00 0.00 N ATOM 192 CA GLU A 13 28.652 -12.980 -9.700 1.00 0.00 C ATOM 193 C GLU A 13 27.202 -13.289 -10.083 1.00 0.00 C ATOM 194 O GLU A 13 26.319 -12.473 -9.822 1.00 0.00 O ATOM 195 CB GLU A 13 28.843 -13.112 -8.187 1.00 0.00 C ATOM 196 CG GLU A 13 28.679 -14.560 -7.710 1.00 0.00 C ATOM 197 CD GLU A 13 29.868 -15.442 -8.105 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.835 -16.636 -7.730 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.791 -14.926 -8.772 1.00 0.00 O ATOM 0 H GLU A 13 28.998 -10.943 -9.347 1.00 0.00 H new ATOM 0 HA GLU A 13 29.312 -13.688 -10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.835 -12.751 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.120 -12.478 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.565 -14.572 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.764 -14.977 -8.131 1.00 0.00 H new ATOM 206 N PRO A 14 26.935 -14.452 -10.692 1.00 0.00 N ATOM 207 CA PRO A 14 25.589 -14.843 -11.073 1.00 0.00 C ATOM 208 C PRO A 14 24.718 -15.119 -9.855 1.00 0.00 C ATOM 209 O PRO A 14 23.548 -14.747 -9.833 1.00 0.00 O ATOM 210 CB PRO A 14 25.752 -16.112 -11.912 1.00 0.00 C ATOM 211 CG PRO A 14 27.133 -16.662 -11.552 1.00 0.00 C ATOM 212 CD PRO A 14 27.921 -15.444 -11.074 1.00 0.00 C ATOM 0 HA PRO A 14 25.093 -14.045 -11.626 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.969 -16.836 -11.685 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.683 -15.891 -12.977 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.066 -17.422 -10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.610 -17.130 -12.413 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.562 -15.701 -10.231 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.570 -15.065 -11.864 1.00 0.00 H new ATOM 220 N LEU A 15 25.283 -15.776 -8.838 1.00 0.00 N ATOM 221 CA LEU A 15 24.515 -16.214 -7.681 1.00 0.00 C ATOM 222 C LEU A 15 23.950 -15.019 -6.913 1.00 0.00 C ATOM 223 O LEU A 15 22.790 -15.043 -6.520 1.00 0.00 O ATOM 224 CB LEU A 15 25.414 -17.046 -6.757 1.00 0.00 C ATOM 225 CG LEU A 15 25.471 -18.515 -7.186 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.154 -18.677 -8.543 1.00 0.00 C ATOM 227 CD2 LEU A 15 26.249 -19.309 -6.144 1.00 0.00 C ATOM 0 H LEU A 15 26.274 -16.014 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 15 23.679 -16.821 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.421 -16.628 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.043 -16.981 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 15 24.449 -18.884 -7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.176 -19.732 -8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 15 25.600 -18.119 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.173 -18.295 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.294 -20.356 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.261 -18.911 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.750 -19.228 -5.178 1.00 0.00 H new ATOM 239 N ILE A 16 24.758 -13.980 -6.698 1.00 0.00 N ATOM 240 CA ILE A 16 24.311 -12.819 -5.944 1.00 0.00 C ATOM 241 C ILE A 16 23.343 -11.989 -6.785 1.00 0.00 C ATOM 242 O ILE A 16 22.437 -11.358 -6.240 1.00 0.00 O ATOM 243 CB ILE A 16 25.526 -11.979 -5.522 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.577 -12.820 -4.783 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.076 -10.805 -4.651 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.050 -13.416 -3.481 1.00 0.00 C ATOM 0 H ILE A 16 25.719 -13.923 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 16 23.787 -13.149 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 16 25.994 -11.597 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 16 26.915 -13.625 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.446 -12.199 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.945 -10.216 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.386 -10.177 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.576 -11.184 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.837 -14.000 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.738 -12.613 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.198 -14.062 -3.695 1.00 0.00 H new ATOM 258 N ALA A 17 23.523 -11.987 -8.108 1.00 0.00 N ATOM 259 CA ALA A 17 22.679 -11.201 -8.995 1.00 0.00 C ATOM 260 C ALA A 17 21.278 -11.806 -9.099 1.00 0.00 C ATOM 261 O ALA A 17 20.290 -11.080 -8.996 1.00 0.00 O ATOM 262 CB ALA A 17 23.335 -11.122 -10.371 1.00 0.00 C ATOM 0 H ALA A 17 24.248 -12.524 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 17 22.572 -10.196 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.707 -10.534 -11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.313 -10.648 -10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.455 -12.127 -10.775 1.00 0.00 H new ATOM 268 N MET A 18 21.177 -13.123 -9.300 1.00 0.00 N ATOM 269 CA MET A 18 19.881 -13.767 -9.484 1.00 0.00 C ATOM 270 C MET A 18 19.106 -13.797 -8.166 1.00 0.00 C ATOM 271 O MET A 18 17.877 -13.854 -8.171 1.00 0.00 O ATOM 272 CB MET A 18 20.082 -15.184 -10.036 1.00 0.00 C ATOM 273 CG MET A 18 20.723 -16.114 -9.005 1.00 0.00 C ATOM 274 SD MET A 18 20.966 -17.812 -9.587 1.00 0.00 S ATOM 275 CE MET A 18 22.231 -17.531 -10.856 1.00 0.00 C ATOM 0 H MET A 18 21.974 -13.758 -9.339 1.00 0.00 H new ATOM 0 HA MET A 18 19.295 -13.193 -10.202 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.120 -15.593 -10.345 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.710 -15.141 -10.926 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.688 -15.701 -8.710 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.098 -16.134 -8.112 1.00 0.00 H new ATOM 0 HE1 MET A 18 21.965 -18.076 -11.762 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.293 -16.466 -11.078 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.196 -17.883 -10.492 1.00 0.00 H new ATOM 285 N MET A 19 19.819 -13.758 -7.035 1.00 0.00 N ATOM 286 CA MET A 19 19.188 -13.727 -5.725 1.00 0.00 C ATOM 287 C MET A 19 18.591 -12.351 -5.442 1.00 0.00 C ATOM 288 O MET A 19 17.571 -12.247 -4.759 1.00 0.00 O ATOM 289 CB MET A 19 20.221 -14.104 -4.666 1.00 0.00 C ATOM 290 CG MET A 19 20.457 -15.617 -4.680 1.00 0.00 C ATOM 291 SD MET A 19 19.010 -16.615 -4.240 1.00 0.00 S ATOM 292 CE MET A 19 18.811 -16.120 -2.511 1.00 0.00 C ATOM 0 H MET A 19 20.839 -13.747 -7.008 1.00 0.00 H new ATOM 0 HA MET A 19 18.370 -14.447 -5.700 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.157 -13.580 -4.857 1.00 0.00 H new ATOM 0 HB3 MET A 19 19.875 -13.791 -3.681 1.00 0.00 H new ATOM 0 HG2 MET A 19 20.794 -15.909 -5.675 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.266 -15.851 -3.988 1.00 0.00 H new ATOM 0 HE1 MET A 19 18.757 -17.009 -1.882 1.00 0.00 H new ATOM 0 HE2 MET A 19 19.662 -15.511 -2.207 1.00 0.00 H new ATOM 0 HE3 MET A 19 17.893 -15.542 -2.401 1.00 0.00 H new ATOM 302 N LEU A 20 19.213 -11.291 -5.967 1.00 0.00 N ATOM 303 CA LEU A 20 18.715 -9.937 -5.783 1.00 0.00 C ATOM 304 C LEU A 20 17.500 -9.694 -6.673 1.00 0.00 C ATOM 305 O LEU A 20 16.614 -8.922 -6.308 1.00 0.00 O ATOM 306 CB LEU A 20 19.830 -8.938 -6.111 1.00 0.00 C ATOM 307 CG LEU A 20 20.851 -8.864 -4.975 1.00 0.00 C ATOM 308 CD1 LEU A 20 22.074 -8.076 -5.443 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.249 -8.152 -3.764 1.00 0.00 C ATOM 0 H LEU A 20 20.065 -11.352 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 20 18.408 -9.802 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.328 -9.234 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.400 -7.951 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 20 21.135 -9.879 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.803 -8.022 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.521 -8.575 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.771 -7.068 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.988 -8.107 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.957 -7.140 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.373 -8.700 -3.418 1.00 0.00 H new ATOM 321 N GLU A 21 17.446 -10.341 -7.839 1.00 0.00 N ATOM 322 CA GLU A 21 16.308 -10.208 -8.737 1.00 0.00 C ATOM 323 C GLU A 21 15.075 -10.885 -8.142 1.00 0.00 C ATOM 324 O GLU A 21 13.950 -10.432 -8.357 1.00 0.00 O ATOM 325 CB GLU A 21 16.648 -10.827 -10.092 1.00 0.00 C ATOM 326 CG GLU A 21 17.724 -10.003 -10.806 1.00 0.00 C ATOM 327 CD GLU A 21 18.222 -10.696 -12.077 1.00 0.00 C ATOM 328 OE1 GLU A 21 19.065 -10.082 -12.773 1.00 0.00 O ATOM 329 OE2 GLU A 21 17.757 -11.829 -12.349 1.00 0.00 O ATOM 0 H GLU A 21 18.180 -10.962 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 21 16.086 -9.149 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.998 -11.850 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.752 -10.878 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.321 -9.023 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.563 -9.837 -10.130 1.00 0.00 H new ATOM 336 N ASP A 22 15.286 -11.971 -7.390 1.00 0.00 N ATOM 337 CA ASP A 22 14.192 -12.710 -6.777 1.00 0.00 C ATOM 338 C ASP A 22 13.615 -11.933 -5.591 1.00 0.00 C ATOM 339 O ASP A 22 12.402 -11.889 -5.396 1.00 0.00 O ATOM 340 CB ASP A 22 14.714 -14.080 -6.335 1.00 0.00 C ATOM 341 CG ASP A 22 13.636 -14.928 -5.661 1.00 0.00 C ATOM 342 OD1 ASP A 22 12.441 -14.691 -5.944 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.021 -15.811 -4.863 1.00 0.00 O ATOM 0 H ASP A 22 16.211 -12.354 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 22 13.387 -12.846 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.102 -14.614 -7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.547 -13.943 -5.646 1.00 0.00 H new ATOM 348 N PHE A 23 14.491 -11.310 -4.795 1.00 0.00 N ATOM 349 CA PHE A 23 14.060 -10.571 -3.620 1.00 0.00 C ATOM 350 C PHE A 23 13.293 -9.284 -3.915 1.00 0.00 C ATOM 351 O PHE A 23 12.464 -8.860 -3.110 1.00 0.00 O ATOM 352 CB PHE A 23 15.233 -10.316 -2.672 1.00 0.00 C ATOM 353 CG PHE A 23 15.655 -11.524 -1.864 1.00 0.00 C ATOM 354 CD1 PHE A 23 14.703 -12.239 -1.117 1.00 0.00 C ATOM 355 CD2 PHE A 23 16.995 -11.928 -1.848 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.094 -13.355 -0.366 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.387 -13.042 -1.097 1.00 0.00 C ATOM 358 CZ PHE A 23 16.438 -13.759 -0.355 1.00 0.00 C ATOM 0 H PHE A 23 15.499 -11.307 -4.949 1.00 0.00 H new ATOM 0 HA PHE A 23 13.335 -11.218 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.086 -9.967 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.963 -9.512 -1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.669 -11.928 -1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.729 -11.378 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.361 -13.905 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.422 -13.350 -1.089 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.740 -14.620 0.223 1.00 0.00 H new ATOM 368 N LEU A 24 13.556 -8.654 -5.062 1.00 0.00 N ATOM 369 CA LEU A 24 12.845 -7.440 -5.426 1.00 0.00 C ATOM 370 C LEU A 24 11.420 -7.773 -5.855 1.00 0.00 C ATOM 371 O LEU A 24 10.492 -7.038 -5.529 1.00 0.00 O ATOM 372 CB LEU A 24 13.587 -6.725 -6.557 1.00 0.00 C ATOM 373 CG LEU A 24 14.899 -6.115 -6.056 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.690 -5.584 -7.250 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.625 -4.960 -5.095 1.00 0.00 C ATOM 0 H LEU A 24 14.249 -8.964 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 24 12.800 -6.780 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.794 -7.429 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.954 -5.942 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 24 15.465 -6.885 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.626 -5.148 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.905 -6.402 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.104 -4.822 -7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.571 -4.541 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.051 -4.188 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.057 -5.326 -4.239 1.00 0.00 H new ATOM 387 N GLU A 25 11.240 -8.876 -6.584 1.00 0.00 N ATOM 388 CA GLU A 25 9.932 -9.235 -7.111 1.00 0.00 C ATOM 389 C GLU A 25 8.980 -9.650 -5.990 1.00 0.00 C ATOM 390 O GLU A 25 7.785 -9.367 -6.062 1.00 0.00 O ATOM 391 CB GLU A 25 10.107 -10.364 -8.126 1.00 0.00 C ATOM 392 CG GLU A 25 8.751 -10.831 -8.665 1.00 0.00 C ATOM 393 CD GLU A 25 8.904 -11.888 -9.758 1.00 0.00 C ATOM 394 OE1 GLU A 25 7.852 -12.399 -10.203 1.00 0.00 O ATOM 395 OE2 GLU A 25 10.061 -12.177 -10.139 1.00 0.00 O ATOM 0 H GLU A 25 11.985 -9.532 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 25 9.489 -8.368 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.733 -10.023 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.625 -11.201 -7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.156 -11.238 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.204 -9.976 -9.062 1.00 0.00 H new ATOM 402 N VAL A 26 9.495 -10.319 -4.955 1.00 0.00 N ATOM 403 CA VAL A 26 8.668 -10.771 -3.839 1.00 0.00 C ATOM 404 C VAL A 26 8.306 -9.624 -2.899 1.00 0.00 C ATOM 405 O VAL A 26 7.305 -9.691 -2.190 1.00 0.00 O ATOM 406 CB VAL A 26 9.368 -11.924 -3.110 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.550 -11.418 -2.281 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.386 -12.648 -2.185 1.00 0.00 C ATOM 0 H VAL A 26 10.483 -10.559 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 26 7.722 -11.143 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 26 9.736 -12.614 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.026 -12.258 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.273 -10.932 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.194 -10.703 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.900 -13.463 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.997 -11.947 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.561 -13.050 -2.773 1.00 0.00 H new ATOM 418 N LEU A 27 9.119 -8.563 -2.896 1.00 0.00 N ATOM 419 CA LEU A 27 8.811 -7.343 -2.156 1.00 0.00 C ATOM 420 C LEU A 27 7.896 -6.433 -2.981 1.00 0.00 C ATOM 421 O LEU A 27 7.723 -5.263 -2.644 1.00 0.00 O ATOM 422 CB LEU A 27 10.107 -6.621 -1.778 1.00 0.00 C ATOM 423 CG LEU A 27 10.917 -7.413 -0.746 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.270 -6.737 -0.548 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.198 -7.454 0.598 1.00 0.00 C ATOM 0 H LEU A 27 10.003 -8.529 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 27 8.283 -7.607 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.711 -6.465 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.871 -5.636 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 27 11.040 -8.431 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.852 -7.295 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.807 -6.714 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.119 -5.718 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.794 -8.022 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.060 -6.438 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.226 -7.931 0.476 1.00 0.00 H new ATOM 437 N ASP A 28 7.310 -6.967 -4.058 1.00 0.00 N ATOM 438 CA ASP A 28 6.467 -6.211 -4.976 1.00 0.00 C ATOM 439 C ASP A 28 7.186 -5.034 -5.643 1.00 0.00 C ATOM 440 O ASP A 28 6.550 -4.076 -6.086 1.00 0.00 O ATOM 441 CB ASP A 28 5.141 -5.808 -4.315 1.00 0.00 C ATOM 442 CG ASP A 28 4.231 -7.008 -4.041 1.00 0.00 C ATOM 443 OD1 ASP A 28 3.164 -6.785 -3.422 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.601 -8.132 -4.447 1.00 0.00 O ATOM 0 H ASP A 28 7.412 -7.949 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 28 6.225 -6.885 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.349 -5.293 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.619 -5.100 -4.959 1.00 0.00 H new ATOM 449 N LYS A 29 8.520 -5.104 -5.709 1.00 0.00 N ATOM 450 CA LYS A 29 9.337 -4.098 -6.371 1.00 0.00 C ATOM 451 C LYS A 29 9.682 -4.565 -7.780 1.00 0.00 C ATOM 452 O LYS A 29 9.246 -5.635 -8.205 1.00 0.00 O ATOM 453 CB LYS A 29 10.597 -3.811 -5.548 1.00 0.00 C ATOM 454 CG LYS A 29 10.208 -3.310 -4.152 1.00 0.00 C ATOM 455 CD LYS A 29 11.458 -2.921 -3.364 1.00 0.00 C ATOM 456 CE LYS A 29 11.036 -2.408 -1.992 1.00 0.00 C ATOM 457 NZ LYS A 29 12.210 -2.041 -1.176 1.00 0.00 N ATOM 0 H LYS A 29 9.060 -5.867 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 29 8.777 -3.166 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.200 -4.715 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.210 -3.065 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.542 -2.452 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.660 -4.087 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.120 -3.781 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.017 -2.153 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.386 -1.541 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.457 -3.174 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.893 -1.695 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.817 -2.875 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.748 -1.293 -1.659 1.00 0.00 H new ATOM 471 N THR A 30 10.467 -3.765 -8.504 1.00 0.00 N ATOM 472 CA THR A 30 10.766 -4.029 -9.905 1.00 0.00 C ATOM 473 C THR A 30 12.259 -3.972 -10.224 1.00 0.00 C ATOM 474 O THR A 30 12.855 -2.895 -10.167 1.00 0.00 O ATOM 475 CB THR A 30 9.980 -3.060 -10.793 1.00 0.00 C ATOM 476 OG1 THR A 30 8.647 -2.958 -10.339 1.00 0.00 O ATOM 477 CG2 THR A 30 9.995 -3.530 -12.246 1.00 0.00 C ATOM 0 H THR A 30 10.909 -2.923 -8.135 1.00 0.00 H new ATOM 0 HA THR A 30 10.455 -5.053 -10.113 1.00 0.00 H new ATOM 0 HB THR A 30 10.455 -2.081 -10.737 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.153 -2.335 -10.912 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.431 -2.829 -12.861 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.024 -3.579 -12.602 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.540 -4.518 -12.313 1.00 0.00 H new ATOM 485 N PRO A 31 12.875 -5.115 -10.564 1.00 0.00 N ATOM 486 CA PRO A 31 14.231 -5.158 -11.078 1.00 0.00 C ATOM 487 C PRO A 31 14.222 -4.672 -12.530 1.00 0.00 C ATOM 488 O PRO A 31 13.978 -5.455 -13.447 1.00 0.00 O ATOM 489 CB PRO A 31 14.651 -6.627 -10.976 1.00 0.00 C ATOM 490 CG PRO A 31 13.334 -7.397 -11.080 1.00 0.00 C ATOM 491 CD PRO A 31 12.296 -6.445 -10.480 1.00 0.00 C ATOM 0 HA PRO A 31 14.924 -4.521 -10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.338 -6.902 -11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.160 -6.832 -10.034 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.097 -7.644 -12.115 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.377 -8.337 -10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.356 -6.497 -11.029 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.076 -6.710 -9.446 1.00 0.00 H new ATOM 499 N VAL A 32 14.485 -3.379 -12.741 1.00 0.00 N ATOM 500 CA VAL A 32 14.398 -2.779 -14.068 1.00 0.00 C ATOM 501 C VAL A 32 15.576 -3.163 -14.960 1.00 0.00 C ATOM 502 O VAL A 32 15.605 -2.790 -16.131 1.00 0.00 O ATOM 503 CB VAL A 32 14.250 -1.256 -13.967 1.00 0.00 C ATOM 504 CG1 VAL A 32 13.100 -0.906 -13.032 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.522 -0.599 -13.440 1.00 0.00 C ATOM 0 H VAL A 32 14.760 -2.729 -12.005 1.00 0.00 H new ATOM 0 HA VAL A 32 13.504 -3.181 -14.544 1.00 0.00 H new ATOM 0 HB VAL A 32 14.053 -0.882 -14.972 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.002 0.178 -12.966 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.174 -1.331 -13.419 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.300 -1.313 -12.041 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.377 0.480 -13.383 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.748 -0.988 -12.447 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.351 -0.819 -14.113 1.00 0.00 H new ATOM 515 N GLY A 33 16.546 -3.907 -14.426 1.00 0.00 N ATOM 516 CA GLY A 33 17.648 -4.404 -15.229 1.00 0.00 C ATOM 517 C GLY A 33 18.833 -4.824 -14.372 1.00 0.00 C ATOM 518 O GLY A 33 18.886 -4.533 -13.175 1.00 0.00 O ATOM 0 H GLY A 33 16.585 -4.174 -13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.310 -5.254 -15.822 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.963 -3.631 -15.930 1.00 0.00 H new ATOM 522 N THR A 34 19.787 -5.511 -15.005 1.00 0.00 N ATOM 523 CA THR A 34 21.025 -5.938 -14.371 1.00 0.00 C ATOM 524 C THR A 34 22.194 -5.844 -15.338 1.00 0.00 C ATOM 525 O THR A 34 22.068 -6.222 -16.501 1.00 0.00 O ATOM 526 CB THR A 34 20.887 -7.356 -13.797 1.00 0.00 C ATOM 527 OG1 THR A 34 19.674 -7.482 -13.088 1.00 0.00 O ATOM 528 CG2 THR A 34 22.058 -7.669 -12.870 1.00 0.00 C ATOM 0 H THR A 34 19.715 -5.787 -15.984 1.00 0.00 H new ATOM 0 HA THR A 34 21.229 -5.262 -13.540 1.00 0.00 H new ATOM 0 HB THR A 34 20.890 -8.064 -14.626 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.613 -8.381 -12.702 1.00 0.00 H new ATOM 0 HG21 THR A 34 21.947 -8.677 -12.471 1.00 0.00 H new ATOM 0 HG22 THR A 34 22.992 -7.601 -13.428 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.073 -6.953 -12.048 1.00 0.00 H new ATOM 536 N VAL A 35 23.329 -5.335 -14.860 1.00 0.00 N ATOM 537 CA VAL A 35 24.508 -5.142 -15.692 1.00 0.00 C ATOM 538 C VAL A 35 25.780 -5.551 -14.950 1.00 0.00 C ATOM 539 O VAL A 35 25.794 -5.617 -13.723 1.00 0.00 O ATOM 540 CB VAL A 35 24.579 -3.695 -16.206 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.247 -3.248 -16.817 1.00 0.00 C ATOM 542 CG2 VAL A 35 24.909 -2.737 -15.065 1.00 0.00 C ATOM 0 H VAL A 35 23.453 -5.047 -13.889 1.00 0.00 H new ATOM 0 HA VAL A 35 24.425 -5.793 -16.562 1.00 0.00 H new ATOM 0 HB VAL A 35 25.358 -3.671 -16.968 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.335 -2.220 -17.169 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.994 -3.898 -17.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.463 -3.307 -16.062 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.955 -1.717 -15.448 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.136 -2.803 -14.300 1.00 0.00 H new ATOM 0 HG23 VAL A 35 25.872 -3.006 -14.631 1.00 0.00 H new ATOM 552 N ASP A 36 26.850 -5.824 -15.703 1.00 0.00 N ATOM 553 CA ASP A 36 28.124 -6.266 -15.147 1.00 0.00 C ATOM 554 C ASP A 36 29.299 -5.368 -15.536 1.00 0.00 C ATOM 555 O ASP A 36 30.446 -5.674 -15.214 1.00 0.00 O ATOM 556 CB ASP A 36 28.389 -7.745 -15.480 1.00 0.00 C ATOM 557 CG ASP A 36 28.147 -8.082 -16.954 1.00 0.00 C ATOM 558 OD1 ASP A 36 27.980 -7.139 -17.761 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.135 -9.294 -17.261 1.00 0.00 O ATOM 0 H ASP A 36 26.852 -5.743 -16.720 1.00 0.00 H new ATOM 0 HA ASP A 36 28.039 -6.176 -14.064 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.419 -7.990 -15.222 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.747 -8.371 -14.860 1.00 0.00 H new ATOM 564 N THR A 37 29.007 -4.264 -16.230 1.00 0.00 N ATOM 565 CA THR A 37 29.993 -3.241 -16.557 1.00 0.00 C ATOM 566 C THR A 37 29.486 -1.850 -16.210 1.00 0.00 C ATOM 567 O THR A 37 28.283 -1.596 -16.262 1.00 0.00 O ATOM 568 CB THR A 37 30.471 -3.338 -18.009 1.00 0.00 C ATOM 569 OG1 THR A 37 29.535 -2.706 -18.855 1.00 0.00 O ATOM 570 CG2 THR A 37 30.666 -4.790 -18.447 1.00 0.00 C ATOM 0 H THR A 37 28.072 -4.058 -16.581 1.00 0.00 H new ATOM 0 HA THR A 37 30.868 -3.429 -15.935 1.00 0.00 H new ATOM 0 HB THR A 37 31.437 -2.838 -18.080 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.841 -2.766 -19.784 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.005 -4.815 -19.483 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.411 -5.265 -17.809 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.721 -5.326 -18.362 1.00 0.00 H new ATOM 578 N VAL A 38 30.397 -0.942 -15.859 1.00 0.00 N ATOM 579 CA VAL A 38 29.997 0.367 -15.373 1.00 0.00 C ATOM 580 C VAL A 38 29.494 1.289 -16.479 1.00 0.00 C ATOM 581 O VAL A 38 28.718 2.202 -16.219 1.00 0.00 O ATOM 582 CB VAL A 38 31.114 0.994 -14.537 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.165 1.696 -15.398 1.00 0.00 C ATOM 584 CG2 VAL A 38 30.494 2.027 -13.608 1.00 0.00 C ATOM 0 H VAL A 38 31.405 -1.092 -15.903 1.00 0.00 H new ATOM 0 HA VAL A 38 29.137 0.223 -14.720 1.00 0.00 H new ATOM 0 HB VAL A 38 31.610 0.193 -13.988 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.935 2.124 -14.756 1.00 0.00 H new ATOM 0 HG12 VAL A 38 32.619 0.975 -16.078 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.691 2.490 -15.975 1.00 0.00 H new ATOM 0 HG21 VAL A 38 31.275 2.487 -13.002 1.00 0.00 H new ATOM 0 HG22 VAL A 38 29.994 2.795 -14.199 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.768 1.541 -12.956 1.00 0.00 H new ATOM 594 N ALA A 39 29.926 1.050 -17.717 1.00 0.00 N ATOM 595 CA ALA A 39 29.412 1.802 -18.848 1.00 0.00 C ATOM 596 C ALA A 39 27.960 1.403 -19.110 1.00 0.00 C ATOM 597 O ALA A 39 27.185 2.198 -19.641 1.00 0.00 O ATOM 598 CB ALA A 39 30.284 1.521 -20.070 1.00 0.00 C ATOM 0 H ALA A 39 30.625 0.346 -17.955 1.00 0.00 H new ATOM 0 HA ALA A 39 29.440 2.870 -18.634 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.905 2.082 -20.924 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.310 1.825 -19.863 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.260 0.455 -20.297 1.00 0.00 H new ATOM 604 N GLY A 40 27.592 0.177 -18.733 1.00 0.00 N ATOM 605 CA GLY A 40 26.217 -0.280 -18.820 1.00 0.00 C ATOM 606 C GLY A 40 25.408 0.251 -17.643 1.00 0.00 C ATOM 607 O GLY A 40 24.219 0.530 -17.782 1.00 0.00 O ATOM 0 H GLY A 40 28.240 -0.518 -18.362 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.773 0.057 -19.757 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.189 -1.370 -18.828 1.00 0.00 H new ATOM 611 N ALA A 41 26.047 0.399 -16.477 1.00 0.00 N ATOM 612 CA ALA A 41 25.379 0.901 -15.288 1.00 0.00 C ATOM 613 C ALA A 41 25.082 2.393 -15.432 1.00 0.00 C ATOM 614 O ALA A 41 24.062 2.871 -14.939 1.00 0.00 O ATOM 615 CB ALA A 41 26.267 0.638 -14.074 1.00 0.00 C ATOM 0 H ALA A 41 27.032 0.174 -16.339 1.00 0.00 H new ATOM 0 HA ALA A 41 24.428 0.386 -15.156 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.775 1.011 -13.176 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.440 -0.434 -13.975 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.221 1.149 -14.204 1.00 0.00 H new ATOM 621 N LEU A 42 25.970 3.124 -16.111 1.00 0.00 N ATOM 622 CA LEU A 42 25.760 4.535 -16.395 1.00 0.00 C ATOM 623 C LEU A 42 24.665 4.688 -17.450 1.00 0.00 C ATOM 624 O LEU A 42 23.893 5.642 -17.405 1.00 0.00 O ATOM 625 CB LEU A 42 27.077 5.132 -16.911 1.00 0.00 C ATOM 626 CG LEU A 42 28.054 5.408 -15.767 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.449 5.644 -16.346 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.627 6.651 -14.989 1.00 0.00 C ATOM 0 H LEU A 42 26.847 2.752 -16.475 1.00 0.00 H new ATOM 0 HA LEU A 42 25.449 5.058 -15.491 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.534 4.446 -17.624 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.872 6.059 -17.447 1.00 0.00 H new ATOM 0 HG LEU A 42 28.060 4.550 -15.095 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.151 5.841 -15.536 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.769 4.759 -16.896 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.423 6.500 -17.020 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.333 6.833 -14.179 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.612 7.512 -15.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.631 6.496 -14.575 1.00 0.00 H new ATOM 640 N ALA A 43 24.598 3.754 -18.399 1.00 0.00 N ATOM 641 CA ALA A 43 23.630 3.825 -19.481 1.00 0.00 C ATOM 642 C ALA A 43 22.224 3.476 -18.988 1.00 0.00 C ATOM 643 O ALA A 43 21.240 3.876 -19.611 1.00 0.00 O ATOM 644 CB ALA A 43 24.064 2.866 -20.586 1.00 0.00 C ATOM 0 H ALA A 43 25.208 2.937 -18.435 1.00 0.00 H new ATOM 0 HA ALA A 43 23.595 4.844 -19.866 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.347 2.908 -21.406 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.050 3.154 -20.951 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.105 1.851 -20.191 1.00 0.00 H new ATOM 650 N ARG A 44 22.116 2.735 -17.882 1.00 0.00 N ATOM 651 CA ARG A 44 20.816 2.328 -17.352 1.00 0.00 C ATOM 652 C ARG A 44 20.240 3.354 -16.378 1.00 0.00 C ATOM 653 O ARG A 44 19.040 3.606 -16.405 1.00 0.00 O ATOM 654 CB ARG A 44 20.942 0.952 -16.690 1.00 0.00 C ATOM 655 CG ARG A 44 21.056 -0.173 -17.727 1.00 0.00 C ATOM 656 CD ARG A 44 19.853 -0.190 -18.668 1.00 0.00 C ATOM 657 NE ARG A 44 19.828 -1.423 -19.463 1.00 0.00 N ATOM 658 CZ ARG A 44 20.421 -1.557 -20.655 1.00 0.00 C ATOM 659 NH1 ARG A 44 21.093 -0.540 -21.193 1.00 0.00 N ATOM 660 NH2 ARG A 44 20.341 -2.709 -21.307 1.00 0.00 N ATOM 0 H ARG A 44 22.914 2.406 -17.338 1.00 0.00 H new ATOM 0 HA ARG A 44 20.116 2.267 -18.185 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.819 0.939 -16.043 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.074 0.774 -16.055 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.971 -0.044 -18.306 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.134 -1.133 -17.217 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.933 -0.107 -18.090 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.892 0.674 -19.331 1.00 0.00 H new ATOM 0 HE ARG A 44 19.328 -2.227 -19.084 1.00 0.00 H new ATOM 0 HH11 ARG A 44 21.158 0.348 -20.696 1.00 0.00 H new ATOM 0 HH12 ARG A 44 21.542 -0.650 -22.102 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.828 -3.491 -20.900 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.792 -2.813 -22.216 1.00 0.00 H new ATOM 674 N VAL A 45 21.077 3.946 -15.521 1.00 0.00 N ATOM 675 CA VAL A 45 20.580 4.919 -14.548 1.00 0.00 C ATOM 676 C VAL A 45 20.198 6.244 -15.202 1.00 0.00 C ATOM 677 O VAL A 45 19.308 6.936 -14.711 1.00 0.00 O ATOM 678 CB VAL A 45 21.598 5.110 -13.416 1.00 0.00 C ATOM 679 CG1 VAL A 45 22.820 5.905 -13.872 1.00 0.00 C ATOM 680 CG2 VAL A 45 20.936 5.859 -12.260 1.00 0.00 C ATOM 0 H VAL A 45 22.081 3.773 -15.481 1.00 0.00 H new ATOM 0 HA VAL A 45 19.663 4.520 -14.115 1.00 0.00 H new ATOM 0 HB VAL A 45 21.929 4.120 -13.103 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.514 6.016 -13.039 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.314 5.377 -14.688 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.505 6.890 -14.216 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.657 5.996 -11.454 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.591 6.833 -12.608 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.087 5.283 -11.892 1.00 0.00 H new ATOM 690 N GLU A 46 20.860 6.605 -16.303 1.00 0.00 N ATOM 691 CA GLU A 46 20.584 7.862 -16.984 1.00 0.00 C ATOM 692 C GLU A 46 19.354 7.757 -17.887 1.00 0.00 C ATOM 693 O GLU A 46 18.813 8.782 -18.302 1.00 0.00 O ATOM 694 CB GLU A 46 21.808 8.283 -17.799 1.00 0.00 C ATOM 695 CG GLU A 46 22.999 8.588 -16.883 1.00 0.00 C ATOM 696 CD GLU A 46 22.774 9.828 -16.018 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.806 10.571 -16.293 1.00 0.00 O ATOM 698 OE2 GLU A 46 23.580 10.022 -15.082 1.00 0.00 O ATOM 0 H GLU A 46 21.590 6.042 -16.739 1.00 0.00 H new ATOM 0 HA GLU A 46 20.370 8.618 -16.229 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.075 7.490 -18.497 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.568 9.164 -18.394 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.186 7.729 -16.238 1.00 0.00 H new ATOM 0 HG3 GLU A 46 23.893 8.731 -17.491 1.00 0.00 H new ATOM 705 N ASP A 47 18.908 6.532 -18.190 1.00 0.00 N ATOM 706 CA ASP A 47 17.782 6.313 -19.092 1.00 0.00 C ATOM 707 C ASP A 47 16.556 5.708 -18.411 1.00 0.00 C ATOM 708 O ASP A 47 15.451 5.795 -18.945 1.00 0.00 O ATOM 709 CB ASP A 47 18.218 5.430 -20.268 1.00 0.00 C ATOM 710 CG ASP A 47 19.177 6.140 -21.227 1.00 0.00 C ATOM 711 OD1 ASP A 47 19.478 7.331 -20.986 1.00 0.00 O ATOM 712 OD2 ASP A 47 19.599 5.478 -22.201 1.00 0.00 O ATOM 0 H ASP A 47 19.316 5.675 -17.818 1.00 0.00 H new ATOM 0 HA ASP A 47 17.479 7.297 -19.448 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.699 4.531 -19.881 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.335 5.107 -20.819 1.00 0.00 H new ATOM 717 N GLY A 48 16.737 5.092 -17.237 1.00 0.00 N ATOM 718 CA GLY A 48 15.663 4.354 -16.585 1.00 0.00 C ATOM 719 C GLY A 48 14.884 5.194 -15.576 1.00 0.00 C ATOM 720 O GLY A 48 13.798 4.790 -15.166 1.00 0.00 O ATOM 0 H GLY A 48 17.619 5.093 -16.724 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.976 3.979 -17.343 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.083 3.485 -16.078 1.00 0.00 H new ATOM 724 N GLY A 49 15.413 6.354 -15.169 1.00 0.00 N ATOM 725 CA GLY A 49 14.759 7.163 -14.149 1.00 0.00 C ATOM 726 C GLY A 49 14.620 6.359 -12.856 1.00 0.00 C ATOM 727 O GLY A 49 13.640 6.503 -12.128 1.00 0.00 O ATOM 0 H GLY A 49 16.283 6.745 -15.529 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.338 8.068 -13.964 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.776 7.479 -14.498 1.00 0.00 H new ATOM 731 N ILE A 50 15.614 5.506 -12.590 1.00 0.00 N ATOM 732 CA ILE A 50 15.565 4.500 -11.539 1.00 0.00 C ATOM 733 C ILE A 50 15.535 5.146 -10.149 1.00 0.00 C ATOM 734 O ILE A 50 16.128 6.204 -9.944 1.00 0.00 O ATOM 735 CB ILE A 50 16.771 3.563 -11.704 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.886 3.152 -13.182 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.613 2.339 -10.803 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.935 2.069 -13.405 1.00 0.00 C ATOM 0 H ILE A 50 16.490 5.500 -13.113 1.00 0.00 H new ATOM 0 HA ILE A 50 14.645 3.922 -11.628 1.00 0.00 H new ATOM 0 HB ILE A 50 17.685 4.078 -11.408 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.918 2.794 -13.533 1.00 0.00 H new ATOM 0 HG13 ILE A 50 17.138 4.027 -13.781 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.473 1.682 -10.928 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.549 2.659 -9.763 1.00 0.00 H new ATOM 0 HG23 ILE A 50 15.704 1.802 -11.074 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.976 1.815 -14.464 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.910 2.434 -13.081 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.670 1.182 -12.829 1.00 0.00 H new ATOM 750 N ASP A 51 14.847 4.501 -9.203 1.00 0.00 N ATOM 751 CA ASP A 51 14.659 5.041 -7.865 1.00 0.00 C ATOM 752 C ASP A 51 15.884 4.778 -6.992 1.00 0.00 C ATOM 753 O ASP A 51 16.192 5.580 -6.115 1.00 0.00 O ATOM 754 CB ASP A 51 13.435 4.382 -7.213 1.00 0.00 C ATOM 755 CG ASP A 51 12.153 4.530 -8.023 1.00 0.00 C ATOM 756 OD1 ASP A 51 11.215 3.750 -7.741 1.00 0.00 O ATOM 757 OD2 ASP A 51 12.114 5.412 -8.912 1.00 0.00 O ATOM 0 H ASP A 51 14.408 3.592 -9.348 1.00 0.00 H new ATOM 0 HA ASP A 51 14.510 6.117 -7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.640 3.322 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.282 4.818 -6.226 1.00 0.00 H new ATOM 762 N ALA A 52 16.587 3.666 -7.223 1.00 0.00 N ATOM 763 CA ALA A 52 17.770 3.300 -6.455 1.00 0.00 C ATOM 764 C ALA A 52 18.577 2.249 -7.216 1.00 0.00 C ATOM 765 O ALA A 52 18.118 1.726 -8.228 1.00 0.00 O ATOM 766 CB ALA A 52 17.336 2.755 -5.091 1.00 0.00 C ATOM 0 H ALA A 52 16.347 2.994 -7.952 1.00 0.00 H new ATOM 0 HA ALA A 52 18.398 4.178 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.217 2.479 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.775 3.520 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.707 1.877 -5.234 1.00 0.00 H new ATOM 772 N ALA A 53 19.782 1.932 -6.734 1.00 0.00 N ATOM 773 CA ALA A 53 20.624 0.941 -7.390 1.00 0.00 C ATOM 774 C ALA A 53 21.532 0.214 -6.398 1.00 0.00 C ATOM 775 O ALA A 53 21.713 0.655 -5.263 1.00 0.00 O ATOM 776 CB ALA A 53 21.457 1.631 -8.475 1.00 0.00 C ATOM 0 H ALA A 53 20.190 2.347 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 53 19.979 0.186 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 53 22.090 0.895 -8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.793 2.090 -9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.082 2.400 -8.020 1.00 0.00 H new ATOM 782 N ILE A 54 22.104 -0.910 -6.841 1.00 0.00 N ATOM 783 CA ILE A 54 23.051 -1.697 -6.058 1.00 0.00 C ATOM 784 C ILE A 54 24.348 -1.843 -6.856 1.00 0.00 C ATOM 785 O ILE A 54 24.295 -1.966 -8.077 1.00 0.00 O ATOM 786 CB ILE A 54 22.443 -3.058 -5.694 1.00 0.00 C ATOM 787 CG1 ILE A 54 21.021 -2.877 -5.143 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.341 -3.751 -4.662 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.417 -4.215 -4.702 1.00 0.00 C ATOM 0 H ILE A 54 21.918 -1.300 -7.765 1.00 0.00 H new ATOM 0 HA ILE A 54 23.277 -1.191 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 54 22.380 -3.680 -6.587 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.042 -2.189 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.388 -2.425 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.914 -4.719 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.336 -3.896 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.413 -3.132 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.410 -4.051 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.373 -4.893 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.037 -4.654 -3.920 1.00 0.00 H new ATOM 801 N LEU A 55 25.504 -1.823 -6.182 1.00 0.00 N ATOM 802 CA LEU A 55 26.794 -1.741 -6.863 1.00 0.00 C ATOM 803 C LEU A 55 27.875 -2.578 -6.178 1.00 0.00 C ATOM 804 O LEU A 55 28.090 -2.457 -4.975 1.00 0.00 O ATOM 805 CB LEU A 55 27.218 -0.268 -6.913 1.00 0.00 C ATOM 806 CG LEU A 55 28.534 -0.078 -7.672 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.375 -0.475 -9.139 1.00 0.00 C ATOM 808 CD2 LEU A 55 28.936 1.393 -7.601 1.00 0.00 C ATOM 0 H LEU A 55 25.569 -1.863 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 55 26.680 -2.148 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.435 0.319 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.326 0.113 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 55 29.297 -0.710 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.322 -0.332 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.081 -1.523 -9.203 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.609 0.146 -9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.873 1.541 -8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.157 2.005 -8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.066 1.685 -6.559 1.00 0.00 H new ATOM 820 N ASP A 56 28.561 -3.423 -6.950 1.00 0.00 N ATOM 821 CA ASP A 56 29.692 -4.200 -6.456 1.00 0.00 C ATOM 822 C ASP A 56 30.932 -3.298 -6.460 1.00 0.00 C ATOM 823 O ASP A 56 31.059 -2.426 -7.321 1.00 0.00 O ATOM 824 CB ASP A 56 29.889 -5.405 -7.382 1.00 0.00 C ATOM 825 CG ASP A 56 30.877 -6.436 -6.836 1.00 0.00 C ATOM 826 OD1 ASP A 56 31.075 -7.454 -7.540 1.00 0.00 O ATOM 827 OD2 ASP A 56 31.425 -6.205 -5.735 1.00 0.00 O ATOM 0 H ASP A 56 28.346 -3.586 -7.934 1.00 0.00 H new ATOM 0 HA ASP A 56 29.519 -4.559 -5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.926 -5.888 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 56 30.241 -5.054 -8.352 1.00 0.00 H new ATOM 832 N VAL A 57 31.848 -3.500 -5.505 1.00 0.00 N ATOM 833 CA VAL A 57 33.046 -2.673 -5.394 1.00 0.00 C ATOM 834 C VAL A 57 33.907 -2.797 -6.651 1.00 0.00 C ATOM 835 O VAL A 57 34.575 -1.839 -7.044 1.00 0.00 O ATOM 836 CB VAL A 57 33.845 -3.083 -4.153 1.00 0.00 C ATOM 837 CG1 VAL A 57 35.075 -2.195 -3.983 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.978 -2.960 -2.904 1.00 0.00 C ATOM 0 H VAL A 57 31.778 -4.232 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 57 32.745 -1.630 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 57 34.161 -4.118 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.627 -2.504 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.715 -2.289 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.762 -1.157 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.557 -3.254 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.648 -1.927 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.109 -3.610 -2.999 1.00 0.00 H new ATOM 848 N ASN A 58 33.890 -3.974 -7.279 1.00 0.00 N ATOM 849 CA ASN A 58 34.632 -4.225 -8.503 1.00 0.00 C ATOM 850 C ASN A 58 33.782 -5.056 -9.450 1.00 0.00 C ATOM 851 O ASN A 58 33.321 -6.142 -9.097 1.00 0.00 O ATOM 852 CB ASN A 58 35.945 -4.955 -8.180 1.00 0.00 C ATOM 853 CG ASN A 58 36.811 -4.169 -7.209 1.00 0.00 C ATOM 854 OD1 ASN A 58 37.284 -3.081 -7.530 1.00 0.00 O ATOM 855 ND2 ASN A 58 37.023 -4.713 -6.014 1.00 0.00 N ATOM 0 H ASN A 58 33.358 -4.778 -6.947 1.00 0.00 H new ATOM 0 HA ASN A 58 34.873 -3.276 -8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 58 35.721 -5.933 -7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.500 -5.128 -9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.596 -4.225 -5.326 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.612 -5.618 -5.786 1.00 0.00 H new ATOM 862 N LEU A 59 33.571 -4.543 -10.663 1.00 0.00 N ATOM 863 CA LEU A 59 32.763 -5.215 -11.670 1.00 0.00 C ATOM 864 C LEU A 59 33.628 -6.206 -12.444 1.00 0.00 C ATOM 865 O LEU A 59 34.784 -6.448 -12.096 1.00 0.00 O ATOM 866 CB LEU A 59 32.148 -4.163 -12.601 1.00 0.00 C ATOM 867 CG LEU A 59 30.786 -3.689 -12.080 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.855 -3.230 -10.627 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.311 -2.531 -12.945 1.00 0.00 C ATOM 0 H LEU A 59 33.957 -3.650 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 59 31.955 -5.773 -11.197 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.823 -3.312 -12.688 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.032 -4.582 -13.601 1.00 0.00 H new ATOM 0 HG LEU A 59 30.093 -4.529 -12.129 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.867 -2.903 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.189 -4.057 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.558 -2.402 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.342 -2.183 -12.587 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.033 -1.716 -12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.217 -2.864 -13.979 1.00 0.00 H new ATOM 881 N ARG A 60 33.052 -6.781 -13.502 1.00 0.00 N ATOM 882 CA ARG A 60 33.716 -7.787 -14.312 1.00 0.00 C ATOM 883 C ARG A 60 35.055 -7.260 -14.822 1.00 0.00 C ATOM 884 O ARG A 60 35.168 -6.095 -15.202 1.00 0.00 O ATOM 885 CB ARG A 60 32.777 -8.170 -15.450 1.00 0.00 C ATOM 886 CG ARG A 60 33.231 -9.460 -16.132 1.00 0.00 C ATOM 887 CD ARG A 60 32.075 -10.009 -16.965 1.00 0.00 C ATOM 888 NE ARG A 60 32.454 -11.257 -17.642 1.00 0.00 N ATOM 889 CZ ARG A 60 32.384 -12.466 -17.077 1.00 0.00 C ATOM 890 NH1 ARG A 60 32.725 -13.547 -17.775 1.00 0.00 N ATOM 891 NH2 ARG A 60 31.975 -12.611 -15.820 1.00 0.00 N ATOM 0 H ARG A 60 32.108 -6.556 -13.817 1.00 0.00 H new ATOM 0 HA ARG A 60 33.938 -8.676 -13.721 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.766 -8.297 -15.063 1.00 0.00 H new ATOM 0 HB3 ARG A 60 32.740 -7.363 -16.181 1.00 0.00 H new ATOM 0 HG2 ARG A 60 34.096 -9.267 -16.767 1.00 0.00 H new ATOM 0 HG3 ARG A 60 33.540 -10.193 -15.386 1.00 0.00 H new ATOM 0 HD2 ARG A 60 31.213 -10.188 -16.322 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.772 -9.268 -17.705 1.00 0.00 H new ATOM 0 HE ARG A 60 32.791 -11.197 -18.603 1.00 0.00 H new ATOM 0 HH11 ARG A 60 33.040 -13.452 -18.741 1.00 0.00 H new ATOM 0 HH12 ARG A 60 32.672 -14.470 -17.344 1.00 0.00 H new ATOM 0 HH21 ARG A 60 31.709 -11.792 -15.273 1.00 0.00 H new ATOM 0 HH22 ARG A 60 31.927 -13.541 -15.403 1.00 0.00 H new ATOM 905 N GLY A 61 36.071 -8.126 -14.832 1.00 0.00 N ATOM 906 CA GLY A 61 37.430 -7.735 -15.175 1.00 0.00 C ATOM 907 C GLY A 61 38.185 -7.210 -13.951 1.00 0.00 C ATOM 908 O GLY A 61 39.370 -6.894 -14.043 1.00 0.00 O ATOM 0 H GLY A 61 35.970 -9.115 -14.602 1.00 0.00 H new ATOM 0 HA2 GLY A 61 37.962 -8.590 -15.594 1.00 0.00 H new ATOM 0 HA3 GLY A 61 37.405 -6.966 -15.947 1.00 0.00 H new ATOM 912 N GLY A 62 37.501 -7.114 -12.802 1.00 0.00 N ATOM 913 CA GLY A 62 38.112 -6.709 -11.543 1.00 0.00 C ATOM 914 C GLY A 62 38.317 -5.196 -11.445 1.00 0.00 C ATOM 915 O GLY A 62 38.902 -4.719 -10.472 1.00 0.00 O ATOM 0 H GLY A 62 36.504 -7.318 -12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.484 -7.041 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.074 -7.210 -11.433 1.00 0.00 H new ATOM 919 N GLU A 63 37.844 -4.437 -12.437 1.00 0.00 N ATOM 920 CA GLU A 63 37.993 -2.987 -12.445 1.00 0.00 C ATOM 921 C GLU A 63 37.057 -2.344 -11.421 1.00 0.00 C ATOM 922 O GLU A 63 35.926 -2.801 -11.235 1.00 0.00 O ATOM 923 CB GLU A 63 37.733 -2.463 -13.860 1.00 0.00 C ATOM 924 CG GLU A 63 37.937 -0.948 -13.929 1.00 0.00 C ATOM 925 CD GLU A 63 37.775 -0.418 -15.354 1.00 0.00 C ATOM 926 OE1 GLU A 63 37.587 -1.248 -16.270 1.00 0.00 O ATOM 927 OE2 GLU A 63 37.843 0.821 -15.515 1.00 0.00 O ATOM 0 H GLU A 63 37.352 -4.810 -13.249 1.00 0.00 H new ATOM 0 HA GLU A 63 39.010 -2.720 -12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 63 38.404 -2.956 -14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 63 36.716 -2.711 -14.162 1.00 0.00 H new ATOM 0 HG2 GLU A 63 37.219 -0.454 -13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 63 38.931 -0.698 -13.559 1.00 0.00 H new ATOM 934 N LYS A 64 37.526 -1.282 -10.755 1.00 0.00 N ATOM 935 CA LYS A 64 36.740 -0.587 -9.740 1.00 0.00 C ATOM 936 C LYS A 64 35.611 0.196 -10.399 1.00 0.00 C ATOM 937 O LYS A 64 35.683 0.511 -11.589 1.00 0.00 O ATOM 938 CB LYS A 64 37.644 0.344 -8.925 1.00 0.00 C ATOM 939 CG LYS A 64 38.047 1.576 -9.743 1.00 0.00 C ATOM 940 CD LYS A 64 39.121 2.365 -8.987 1.00 0.00 C ATOM 941 CE LYS A 64 39.590 3.565 -9.812 1.00 0.00 C ATOM 942 NZ LYS A 64 38.483 4.509 -10.070 1.00 0.00 N ATOM 0 H LYS A 64 38.454 -0.886 -10.906 1.00 0.00 H new ATOM 0 HA LYS A 64 36.300 -1.320 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 64 37.125 0.659 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.537 -0.195 -8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 64 38.425 1.270 -10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 64 37.176 2.207 -9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.723 2.707 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 64 39.968 1.716 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.393 4.079 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.002 3.218 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 38.866 5.398 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 37.826 4.093 -10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 37.976 4.701 -9.182 1.00 0.00 H new ATOM 956 N SER A 65 34.567 0.514 -9.632 1.00 0.00 N ATOM 957 CA SER A 65 33.432 1.260 -10.147 1.00 0.00 C ATOM 958 C SER A 65 32.810 2.133 -9.066 1.00 0.00 C ATOM 959 O SER A 65 32.286 1.623 -8.078 1.00 0.00 O ATOM 960 CB SER A 65 32.390 0.279 -10.679 1.00 0.00 C ATOM 961 OG SER A 65 32.896 -0.389 -11.816 1.00 0.00 O ATOM 0 H SER A 65 34.490 0.262 -8.647 1.00 0.00 H new ATOM 0 HA SER A 65 33.779 1.912 -10.949 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.131 -0.445 -9.906 1.00 0.00 H new ATOM 0 HB3 SER A 65 31.474 0.811 -10.937 1.00 0.00 H new ATOM 0 HG SER A 65 33.218 -1.277 -11.557 1.00 0.00 H new ATOM 967 N THR A 66 32.871 3.452 -9.259 1.00 0.00 N ATOM 968 CA THR A 66 32.137 4.414 -8.448 1.00 0.00 C ATOM 969 C THR A 66 31.409 5.536 -9.211 1.00 0.00 C ATOM 970 O THR A 66 30.812 6.394 -8.559 1.00 0.00 O ATOM 971 CB THR A 66 33.025 4.997 -7.340 1.00 0.00 C ATOM 972 OG1 THR A 66 33.722 6.120 -7.839 1.00 0.00 O ATOM 973 CG2 THR A 66 34.037 3.993 -6.799 1.00 0.00 C ATOM 0 H THR A 66 33.437 3.882 -9.990 1.00 0.00 H new ATOM 0 HA THR A 66 31.332 3.822 -8.012 1.00 0.00 H new ATOM 0 HB THR A 66 32.365 5.275 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.288 6.494 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.635 4.464 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.511 3.134 -6.384 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.690 3.663 -7.607 1.00 0.00 H new ATOM 981 N PRO A 67 31.422 5.584 -10.556 1.00 0.00 N ATOM 982 CA PRO A 67 30.862 6.709 -11.286 1.00 0.00 C ATOM 983 C PRO A 67 29.341 6.735 -11.147 1.00 0.00 C ATOM 984 O PRO A 67 28.731 7.799 -11.266 1.00 0.00 O ATOM 985 CB PRO A 67 31.280 6.507 -12.744 1.00 0.00 C ATOM 986 CG PRO A 67 31.444 4.997 -12.858 1.00 0.00 C ATOM 987 CD PRO A 67 31.942 4.588 -11.474 1.00 0.00 C ATOM 0 HA PRO A 67 31.224 7.662 -10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 67 30.525 6.882 -13.434 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.208 7.030 -12.972 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.502 4.508 -13.106 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.157 4.728 -13.637 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.589 3.591 -11.210 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.031 4.559 -11.443 1.00 0.00 H new ATOM 995 N VAL A 68 28.724 5.576 -10.893 1.00 0.00 N ATOM 996 CA VAL A 68 27.281 5.501 -10.705 1.00 0.00 C ATOM 997 C VAL A 68 26.900 5.750 -9.251 1.00 0.00 C ATOM 998 O VAL A 68 25.813 6.245 -8.982 1.00 0.00 O ATOM 999 CB VAL A 68 26.740 4.149 -11.178 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.137 3.904 -12.628 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.255 3.005 -10.313 1.00 0.00 C ATOM 0 H VAL A 68 29.206 4.680 -10.814 1.00 0.00 H new ATOM 0 HA VAL A 68 26.827 6.285 -11.311 1.00 0.00 H new ATOM 0 HB VAL A 68 25.654 4.182 -11.092 1.00 0.00 H new ATOM 0 HG11 VAL A 68 26.747 2.940 -12.954 1.00 0.00 H new ATOM 0 HG12 VAL A 68 26.725 4.693 -13.256 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.224 3.903 -12.713 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.850 2.061 -10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.344 2.975 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.940 3.159 -9.281 1.00 0.00 H new ATOM 1011 N ALA A 69 27.778 5.418 -8.305 1.00 0.00 N ATOM 1012 CA ALA A 69 27.484 5.662 -6.905 1.00 0.00 C ATOM 1013 C ALA A 69 27.562 7.159 -6.617 1.00 0.00 C ATOM 1014 O ALA A 69 26.862 7.670 -5.745 1.00 0.00 O ATOM 1015 CB ALA A 69 28.472 4.879 -6.054 1.00 0.00 C ATOM 0 H ALA A 69 28.684 4.986 -8.484 1.00 0.00 H new ATOM 0 HA ALA A 69 26.475 5.329 -6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.262 5.054 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.377 3.815 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.487 5.206 -6.281 1.00 0.00 H new ATOM 1021 N GLU A 70 28.422 7.858 -7.357 1.00 0.00 N ATOM 1022 CA GLU A 70 28.520 9.306 -7.277 1.00 0.00 C ATOM 1023 C GLU A 70 27.354 9.955 -8.025 1.00 0.00 C ATOM 1024 O GLU A 70 26.933 11.059 -7.673 1.00 0.00 O ATOM 1025 CB GLU A 70 29.852 9.755 -7.870 1.00 0.00 C ATOM 1026 CG GLU A 70 31.033 9.284 -7.016 1.00 0.00 C ATOM 1027 CD GLU A 70 31.136 10.041 -5.689 1.00 0.00 C ATOM 1028 OE1 GLU A 70 32.028 9.671 -4.893 1.00 0.00 O ATOM 1029 OE2 GLU A 70 30.333 10.980 -5.480 1.00 0.00 O ATOM 0 H GLU A 70 29.066 7.434 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 70 28.471 9.617 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 70 29.953 9.361 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.869 10.842 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 70 30.929 8.218 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 70 31.958 9.414 -7.578 1.00 0.00 H new ATOM 1036 N ALA A 71 26.828 9.276 -9.048 1.00 0.00 N ATOM 1037 CA ALA A 71 25.681 9.764 -9.793 1.00 0.00 C ATOM 1038 C ALA A 71 24.394 9.538 -8.998 1.00 0.00 C ATOM 1039 O ALA A 71 23.445 10.310 -9.134 1.00 0.00 O ATOM 1040 CB ALA A 71 25.610 9.045 -11.140 1.00 0.00 C ATOM 0 H ALA A 71 27.187 8.379 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 71 25.791 10.835 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 71 24.750 9.409 -11.702 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.521 9.240 -11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.508 7.972 -10.975 1.00 0.00 H new ATOM 1046 N LEU A 72 24.353 8.492 -8.166 1.00 0.00 N ATOM 1047 CA LEU A 72 23.211 8.241 -7.297 1.00 0.00 C ATOM 1048 C LEU A 72 23.185 9.296 -6.194 1.00 0.00 C ATOM 1049 O LEU A 72 22.117 9.663 -5.712 1.00 0.00 O ATOM 1050 CB LEU A 72 23.332 6.831 -6.693 1.00 0.00 C ATOM 1051 CG LEU A 72 22.807 5.703 -7.600 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.430 5.252 -7.121 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.674 6.086 -9.069 1.00 0.00 C ATOM 0 H LEU A 72 25.103 7.806 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 72 22.283 8.299 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.379 6.637 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.787 6.805 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 72 23.553 4.911 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 72 21.064 4.454 -7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.503 4.886 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.739 6.094 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.298 5.233 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 72 21.979 6.920 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.649 6.378 -9.458 1.00 0.00 H new ATOM 1065 N ALA A 73 24.363 9.792 -5.795 1.00 0.00 N ATOM 1066 CA ALA A 73 24.448 10.856 -4.809 1.00 0.00 C ATOM 1067 C ALA A 73 24.079 12.204 -5.439 1.00 0.00 C ATOM 1068 O ALA A 73 23.573 13.086 -4.751 1.00 0.00 O ATOM 1069 CB ALA A 73 25.872 10.898 -4.247 1.00 0.00 C ATOM 0 H ALA A 73 25.265 9.468 -6.144 1.00 0.00 H new ATOM 0 HA ALA A 73 23.743 10.661 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.947 11.693 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.107 9.942 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.577 11.088 -5.056 1.00 0.00 H new ATOM 1075 N ALA A 74 24.332 12.367 -6.744 1.00 0.00 N ATOM 1076 CA ALA A 74 23.993 13.585 -7.461 1.00 0.00 C ATOM 1077 C ALA A 74 22.491 13.630 -7.750 1.00 0.00 C ATOM 1078 O ALA A 74 21.878 14.697 -7.701 1.00 0.00 O ATOM 1079 CB ALA A 74 24.779 13.624 -8.770 1.00 0.00 C ATOM 0 H ALA A 74 24.777 11.655 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 74 24.251 14.450 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.532 14.534 -9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.847 13.609 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.520 12.756 -9.376 1.00 0.00 H new ATOM 1085 N ARG A 75 21.908 12.464 -8.047 1.00 0.00 N ATOM 1086 CA ARG A 75 20.479 12.318 -8.302 1.00 0.00 C ATOM 1087 C ARG A 75 19.684 12.222 -7.002 1.00 0.00 C ATOM 1088 O ARG A 75 18.460 12.120 -7.041 1.00 0.00 O ATOM 1089 CB ARG A 75 20.260 11.077 -9.167 1.00 0.00 C ATOM 1090 CG ARG A 75 20.706 11.351 -10.606 1.00 0.00 C ATOM 1091 CD ARG A 75 20.698 10.052 -11.413 1.00 0.00 C ATOM 1092 NE ARG A 75 20.639 10.326 -12.852 1.00 0.00 N ATOM 1093 CZ ARG A 75 19.497 10.529 -13.519 1.00 0.00 C ATOM 1094 NH1 ARG A 75 18.324 10.492 -12.889 1.00 0.00 N ATOM 1095 NH2 ARG A 75 19.522 10.771 -14.827 1.00 0.00 N ATOM 0 H ARG A 75 22.425 11.587 -8.117 1.00 0.00 H new ATOM 0 HA ARG A 75 20.119 13.202 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.821 10.236 -8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.207 10.795 -9.152 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.041 12.080 -11.069 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.706 11.784 -10.609 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.594 9.474 -11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.843 9.443 -11.120 1.00 0.00 H new ATOM 0 HE ARG A 75 21.515 10.364 -13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.289 10.307 -11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.461 10.648 -13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.413 10.802 -15.323 1.00 0.00 H new ATOM 0 HH22 ARG A 75 18.650 10.925 -15.334 1.00 0.00 H new ATOM 1109 N ASP A 76 20.379 12.258 -5.861 1.00 0.00 N ATOM 1110 CA ASP A 76 19.755 12.171 -4.547 1.00 0.00 C ATOM 1111 C ASP A 76 18.849 10.938 -4.443 1.00 0.00 C ATOM 1112 O ASP A 76 17.678 11.037 -4.072 1.00 0.00 O ATOM 1113 CB ASP A 76 19.030 13.485 -4.233 1.00 0.00 C ATOM 1114 CG ASP A 76 18.367 13.469 -2.857 1.00 0.00 C ATOM 1115 OD1 ASP A 76 18.806 12.663 -2.004 1.00 0.00 O ATOM 1116 OD2 ASP A 76 17.428 14.272 -2.668 1.00 0.00 O ATOM 0 H ASP A 76 21.394 12.349 -5.828 1.00 0.00 H new ATOM 0 HA ASP A 76 20.524 12.035 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.741 14.310 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.274 13.671 -4.996 1.00 0.00 H new ATOM 1121 N ILE A 77 19.404 9.768 -4.773 1.00 0.00 N ATOM 1122 CA ILE A 77 18.687 8.502 -4.692 1.00 0.00 C ATOM 1123 C ILE A 77 19.504 7.486 -3.893 1.00 0.00 C ATOM 1124 O ILE A 77 20.734 7.546 -3.903 1.00 0.00 O ATOM 1125 CB ILE A 77 18.358 7.961 -6.090 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.376 8.435 -7.135 1.00 0.00 C ATOM 1127 CG2 ILE A 77 16.967 8.452 -6.496 1.00 0.00 C ATOM 1128 CD1 ILE A 77 19.104 7.799 -8.500 1.00 0.00 C ATOM 0 H ILE A 77 20.365 9.677 -5.104 1.00 0.00 H new ATOM 0 HA ILE A 77 17.743 8.674 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 77 18.393 6.872 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.334 9.521 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.384 8.181 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.723 8.073 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.230 8.091 -5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.956 9.542 -6.511 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.841 8.154 -9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.171 6.714 -8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.105 8.075 -8.838 1.00 0.00 H new ATOM 1140 N PRO A 78 18.840 6.552 -3.196 1.00 0.00 N ATOM 1141 CA PRO A 78 19.490 5.579 -2.334 1.00 0.00 C ATOM 1142 C PRO A 78 20.366 4.614 -3.129 1.00 0.00 C ATOM 1143 O PRO A 78 20.081 4.325 -4.290 1.00 0.00 O ATOM 1144 CB PRO A 78 18.364 4.823 -1.625 1.00 0.00 C ATOM 1145 CG PRO A 78 17.114 5.675 -1.850 1.00 0.00 C ATOM 1146 CD PRO A 78 17.404 6.393 -3.161 1.00 0.00 C ATOM 0 HA PRO A 78 20.153 6.076 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.239 3.822 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.576 4.705 -0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.216 5.060 -1.919 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.956 6.379 -1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.051 5.813 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.900 7.359 -3.201 1.00 0.00 H new ATOM 1154 N PHE A 79 21.431 4.112 -2.500 1.00 0.00 N ATOM 1155 CA PHE A 79 22.321 3.152 -3.129 1.00 0.00 C ATOM 1156 C PHE A 79 22.878 2.151 -2.117 1.00 0.00 C ATOM 1157 O PHE A 79 23.165 2.517 -0.975 1.00 0.00 O ATOM 1158 CB PHE A 79 23.444 3.879 -3.877 1.00 0.00 C ATOM 1159 CG PHE A 79 24.220 4.865 -3.032 1.00 0.00 C ATOM 1160 CD1 PHE A 79 23.805 6.201 -2.945 1.00 0.00 C ATOM 1161 CD2 PHE A 79 25.359 4.441 -2.333 1.00 0.00 C ATOM 1162 CE1 PHE A 79 24.528 7.114 -2.165 1.00 0.00 C ATOM 1163 CE2 PHE A 79 26.082 5.351 -1.553 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.668 6.690 -1.471 1.00 0.00 C ATOM 0 H PHE A 79 21.694 4.362 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 79 21.743 2.579 -3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 79 24.136 3.138 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 79 23.015 4.407 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 79 22.926 6.528 -3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 79 25.679 3.411 -2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 79 24.206 8.143 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 79 26.959 5.023 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.229 7.393 -0.873 1.00 0.00 H new ATOM 1174 N VAL A 80 23.031 0.890 -2.534 1.00 0.00 N ATOM 1175 CA VAL A 80 23.609 -0.146 -1.693 1.00 0.00 C ATOM 1176 C VAL A 80 24.864 -0.682 -2.370 1.00 0.00 C ATOM 1177 O VAL A 80 24.935 -0.727 -3.595 1.00 0.00 O ATOM 1178 CB VAL A 80 22.607 -1.289 -1.470 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.228 -2.398 -0.626 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.369 -0.810 -0.727 1.00 0.00 C ATOM 0 H VAL A 80 22.757 0.566 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 80 23.859 0.279 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 80 22.336 -1.656 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.500 -3.196 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.106 -2.795 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.523 -1.996 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.683 -1.645 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.659 -0.412 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.877 -0.029 -1.306 1.00 0.00 H new ATOM 1190 N PHE A 81 25.853 -1.091 -1.575 1.00 0.00 N ATOM 1191 CA PHE A 81 27.020 -1.767 -2.108 1.00 0.00 C ATOM 1192 C PHE A 81 26.984 -3.284 -1.936 1.00 0.00 C ATOM 1193 O PHE A 81 26.272 -3.797 -1.073 1.00 0.00 O ATOM 1194 CB PHE A 81 28.315 -1.137 -1.604 1.00 0.00 C ATOM 1195 CG PHE A 81 28.695 0.123 -2.350 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.118 1.350 -2.001 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.623 0.061 -3.401 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.477 2.515 -2.690 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.993 1.230 -4.082 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.420 2.457 -3.726 1.00 0.00 C ATOM 0 H PHE A 81 25.863 -0.963 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 81 26.993 -1.615 -3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.210 -0.906 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.123 -1.863 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.395 1.398 -1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 81 30.053 -0.888 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.027 3.460 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.719 1.184 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.704 3.358 -4.249 1.00 0.00 H new ATOM 1210 N ALA A 82 27.754 -3.996 -2.754 1.00 0.00 N ATOM 1211 CA ALA A 82 27.884 -5.434 -2.649 1.00 0.00 C ATOM 1212 C ALA A 82 29.353 -5.787 -2.449 1.00 0.00 C ATOM 1213 O ALA A 82 30.225 -5.200 -3.089 1.00 0.00 O ATOM 1214 CB ALA A 82 27.303 -6.096 -3.895 1.00 0.00 C ATOM 0 H ALA A 82 28.304 -3.585 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 82 27.325 -5.806 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.403 -7.178 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.249 -5.835 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.842 -5.748 -4.776 1.00 0.00 H new ATOM 1220 N THR A 83 29.624 -6.748 -1.565 1.00 0.00 N ATOM 1221 CA THR A 83 30.986 -7.151 -1.242 1.00 0.00 C ATOM 1222 C THR A 83 31.056 -8.666 -1.075 1.00 0.00 C ATOM 1223 O THR A 83 30.046 -9.364 -1.162 1.00 0.00 O ATOM 1224 CB THR A 83 31.447 -6.456 0.047 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.575 -6.769 1.107 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.496 -4.942 -0.139 1.00 0.00 C ATOM 0 H THR A 83 28.906 -7.265 -1.057 1.00 0.00 H new ATOM 0 HA THR A 83 31.646 -6.855 -2.057 1.00 0.00 H new ATOM 0 HB THR A 83 32.449 -6.814 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.880 -6.322 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.825 -4.472 0.788 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.195 -4.696 -0.939 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.503 -4.575 -0.399 1.00 0.00 H new ATOM 1234 N GLY A 84 32.266 -9.163 -0.839 1.00 0.00 N ATOM 1235 CA GLY A 84 32.539 -10.576 -0.657 1.00 0.00 C ATOM 1236 C GLY A 84 33.987 -10.746 -0.211 1.00 0.00 C ATOM 1237 O GLY A 84 34.524 -9.895 0.500 1.00 0.00 O ATOM 0 H GLY A 84 33.099 -8.578 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.863 -10.998 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.365 -11.116 -1.588 1.00 0.00 H new ATOM 1241 N GLY A 85 34.625 -11.845 -0.621 1.00 0.00 N ATOM 1242 CA GLY A 85 36.027 -12.077 -0.313 1.00 0.00 C ATOM 1243 C GLY A 85 36.931 -11.200 -1.180 1.00 0.00 C ATOM 1244 O GLY A 85 36.688 -11.046 -2.378 1.00 0.00 O ATOM 0 H GLY A 85 34.187 -12.586 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 85 36.211 -11.866 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.270 -13.127 -0.475 1.00 0.00 H new ATOM 1248 N SER A 86 37.975 -10.634 -0.567 1.00 0.00 N ATOM 1249 CA SER A 86 38.988 -9.823 -1.242 1.00 0.00 C ATOM 1250 C SER A 86 38.426 -8.573 -1.931 1.00 0.00 C ATOM 1251 O SER A 86 39.128 -7.946 -2.722 1.00 0.00 O ATOM 1252 CB SER A 86 39.771 -10.681 -2.232 1.00 0.00 C ATOM 1253 OG SER A 86 40.389 -11.762 -1.563 1.00 0.00 O ATOM 0 H SER A 86 38.141 -10.730 0.435 1.00 0.00 H new ATOM 0 HA SER A 86 39.656 -9.454 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 86 39.102 -11.058 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 86 40.526 -10.074 -2.732 1.00 0.00 H new ATOM 0 HG SER A 86 40.886 -12.305 -2.209 1.00 0.00 H new ATOM 1259 N ASP A 87 37.174 -8.199 -1.650 1.00 0.00 N ATOM 1260 CA ASP A 87 36.602 -6.973 -2.199 1.00 0.00 C ATOM 1261 C ASP A 87 35.712 -6.217 -1.217 1.00 0.00 C ATOM 1262 O ASP A 87 34.995 -5.298 -1.609 1.00 0.00 O ATOM 1263 CB ASP A 87 35.910 -7.219 -3.547 1.00 0.00 C ATOM 1264 CG ASP A 87 34.988 -8.433 -3.527 1.00 0.00 C ATOM 1265 OD1 ASP A 87 34.527 -8.792 -2.421 1.00 0.00 O ATOM 1266 OD2 ASP A 87 34.755 -8.988 -4.625 1.00 0.00 O ATOM 0 H ASP A 87 36.542 -8.727 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 87 37.447 -6.310 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 87 35.333 -6.335 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 87 36.667 -7.357 -4.319 1.00 0.00 H new ATOM 1271 N ASP A 88 35.751 -6.593 0.062 1.00 0.00 N ATOM 1272 CA ASP A 88 35.021 -5.887 1.107 1.00 0.00 C ATOM 1273 C ASP A 88 35.701 -4.569 1.497 1.00 0.00 C ATOM 1274 O ASP A 88 35.307 -3.926 2.466 1.00 0.00 O ATOM 1275 CB ASP A 88 34.786 -6.796 2.323 1.00 0.00 C ATOM 1276 CG ASP A 88 36.069 -7.454 2.846 1.00 0.00 C ATOM 1277 OD1 ASP A 88 37.164 -7.099 2.355 1.00 0.00 O ATOM 1278 OD2 ASP A 88 35.935 -8.316 3.741 1.00 0.00 O ATOM 0 H ASP A 88 36.288 -7.392 0.398 1.00 0.00 H new ATOM 0 HA ASP A 88 34.045 -5.620 0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.334 -6.210 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 88 34.071 -7.573 2.054 1.00 0.00 H new ATOM 1283 N SER A 89 36.724 -4.178 0.732 1.00 0.00 N ATOM 1284 CA SER A 89 37.484 -2.956 0.949 1.00 0.00 C ATOM 1285 C SER A 89 36.764 -1.732 0.371 1.00 0.00 C ATOM 1286 O SER A 89 37.406 -0.839 -0.177 1.00 0.00 O ATOM 1287 CB SER A 89 38.872 -3.122 0.335 1.00 0.00 C ATOM 1288 OG SER A 89 38.760 -3.380 -1.052 1.00 0.00 O ATOM 0 H SER A 89 37.049 -4.717 -0.070 1.00 0.00 H new ATOM 0 HA SER A 89 37.580 -2.783 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.461 -2.220 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.400 -3.941 0.824 1.00 0.00 H new ATOM 0 HG SER A 89 39.654 -3.484 -1.439 1.00 0.00 H new ATOM 1294 N VAL A 90 35.431 -1.692 0.490 1.00 0.00 N ATOM 1295 CA VAL A 90 34.636 -0.577 -0.017 1.00 0.00 C ATOM 1296 C VAL A 90 35.157 0.733 0.585 1.00 0.00 C ATOM 1297 O VAL A 90 35.562 0.776 1.749 1.00 0.00 O ATOM 1298 CB VAL A 90 33.150 -0.807 0.301 1.00 0.00 C ATOM 1299 CG1 VAL A 90 32.925 -1.078 1.790 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.314 0.407 -0.099 1.00 0.00 C ATOM 0 H VAL A 90 34.882 -2.426 0.937 1.00 0.00 H new ATOM 0 HA VAL A 90 34.730 -0.510 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 90 32.840 -1.680 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 90 31.862 -1.235 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.480 -1.968 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.272 -0.224 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.266 0.220 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.659 1.283 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.420 0.585 -1.169 1.00 0.00 H new ATOM 1310 N ASP A 91 35.140 1.802 -0.219 1.00 0.00 N ATOM 1311 CA ASP A 91 35.752 3.072 0.141 1.00 0.00 C ATOM 1312 C ASP A 91 34.937 3.734 1.259 1.00 0.00 C ATOM 1313 O ASP A 91 33.726 3.538 1.355 1.00 0.00 O ATOM 1314 CB ASP A 91 35.766 3.969 -1.104 1.00 0.00 C ATOM 1315 CG ASP A 91 36.666 5.193 -0.934 1.00 0.00 C ATOM 1316 OD1 ASP A 91 36.659 6.037 -1.856 1.00 0.00 O ATOM 1317 OD2 ASP A 91 37.353 5.274 0.108 1.00 0.00 O ATOM 0 H ASP A 91 34.699 1.804 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 91 36.770 2.917 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.106 3.389 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 91 34.750 4.297 -1.323 1.00 0.00 H new ATOM 1322 N SER A 92 35.606 4.524 2.100 1.00 0.00 N ATOM 1323 CA SER A 92 34.953 5.243 3.190 1.00 0.00 C ATOM 1324 C SER A 92 33.999 6.303 2.639 1.00 0.00 C ATOM 1325 O SER A 92 33.179 6.851 3.375 1.00 0.00 O ATOM 1326 CB SER A 92 36.010 5.894 4.082 1.00 0.00 C ATOM 1327 OG SER A 92 36.769 4.892 4.728 1.00 0.00 O ATOM 0 H SER A 92 36.612 4.682 2.044 1.00 0.00 H new ATOM 0 HA SER A 92 34.372 4.535 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.663 6.530 3.484 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.531 6.535 4.822 1.00 0.00 H new ATOM 0 HG SER A 92 37.447 5.312 5.298 1.00 0.00 H new ATOM 1333 N ARG A 93 34.109 6.581 1.340 1.00 0.00 N ATOM 1334 CA ARG A 93 33.218 7.482 0.622 1.00 0.00 C ATOM 1335 C ARG A 93 31.793 6.918 0.595 1.00 0.00 C ATOM 1336 O ARG A 93 30.850 7.647 0.296 1.00 0.00 O ATOM 1337 CB ARG A 93 33.779 7.665 -0.795 1.00 0.00 C ATOM 1338 CG ARG A 93 32.837 8.398 -1.755 1.00 0.00 C ATOM 1339 CD ARG A 93 32.531 9.816 -1.276 1.00 0.00 C ATOM 1340 NE ARG A 93 31.663 10.502 -2.240 1.00 0.00 N ATOM 1341 CZ ARG A 93 30.688 11.351 -1.910 1.00 0.00 C ATOM 1342 NH1 ARG A 93 30.455 11.658 -0.635 1.00 0.00 N ATOM 1343 NH2 ARG A 93 29.942 11.899 -2.864 1.00 0.00 N ATOM 0 H ARG A 93 34.835 6.176 0.749 1.00 0.00 H new ATOM 0 HA ARG A 93 33.165 8.449 1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.717 8.216 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.012 6.685 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 93 33.288 8.439 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 93 31.907 7.838 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.046 9.781 -0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 93 33.459 10.373 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 93 31.816 10.317 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 93 31.025 11.243 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 93 29.707 12.308 -0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 93 30.116 11.670 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 93 29.195 12.549 -2.618 1.00 0.00 H new ATOM 1357 N PHE A 94 31.634 5.625 0.903 1.00 0.00 N ATOM 1358 CA PHE A 94 30.344 4.958 0.813 1.00 0.00 C ATOM 1359 C PHE A 94 30.080 4.105 2.062 1.00 0.00 C ATOM 1360 O PHE A 94 29.089 3.377 2.106 1.00 0.00 O ATOM 1361 CB PHE A 94 30.333 4.082 -0.440 1.00 0.00 C ATOM 1362 CG PHE A 94 30.697 4.828 -1.707 1.00 0.00 C ATOM 1363 CD1 PHE A 94 29.798 5.749 -2.258 1.00 0.00 C ATOM 1364 CD2 PHE A 94 31.931 4.590 -2.329 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.132 6.437 -3.433 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.265 5.282 -3.502 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.367 6.205 -4.054 1.00 0.00 C ATOM 0 H PHE A 94 32.394 5.022 1.218 1.00 0.00 H new ATOM 0 HA PHE A 94 29.554 5.706 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.031 3.256 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.342 3.645 -0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 94 28.847 5.929 -1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 94 32.622 3.876 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 94 29.438 7.146 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.216 5.103 -3.981 1.00 0.00 H new ATOM 0 HZ PHE A 94 31.626 6.737 -4.957 1.00 0.00 H new ATOM 1377 N ARG A 95 30.953 4.185 3.072 1.00 0.00 N ATOM 1378 CA ARG A 95 30.765 3.427 4.305 1.00 0.00 C ATOM 1379 C ARG A 95 29.577 3.945 5.111 1.00 0.00 C ATOM 1380 O ARG A 95 29.150 3.299 6.066 1.00 0.00 O ATOM 1381 CB ARG A 95 32.045 3.475 5.146 1.00 0.00 C ATOM 1382 CG ARG A 95 33.088 2.471 4.636 1.00 0.00 C ATOM 1383 CD ARG A 95 32.643 1.029 4.889 1.00 0.00 C ATOM 1384 NE ARG A 95 32.453 0.771 6.322 1.00 0.00 N ATOM 1385 CZ ARG A 95 33.441 0.420 7.154 1.00 0.00 C ATOM 1386 NH1 ARG A 95 34.688 0.282 6.708 1.00 0.00 N ATOM 1387 NH2 ARG A 95 33.178 0.200 8.440 1.00 0.00 N ATOM 0 H ARG A 95 31.792 4.765 3.057 1.00 0.00 H new ATOM 0 HA ARG A 95 30.549 2.393 4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.463 4.481 5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 95 31.807 3.257 6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.249 2.622 3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 95 34.042 2.651 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.712 0.835 4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 95 33.388 0.341 4.489 1.00 0.00 H new ATOM 0 HE ARG A 95 31.513 0.865 6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 95 34.898 0.444 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 95 35.433 0.014 7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 95 32.225 0.299 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 95 33.929 -0.068 9.076 1.00 0.00 H new ATOM 1401 N ASP A 96 29.040 5.107 4.733 1.00 0.00 N ATOM 1402 CA ASP A 96 27.850 5.665 5.362 1.00 0.00 C ATOM 1403 C ASP A 96 26.566 5.009 4.855 1.00 0.00 C ATOM 1404 O ASP A 96 25.492 5.223 5.417 1.00 0.00 O ATOM 1405 CB ASP A 96 27.810 7.188 5.184 1.00 0.00 C ATOM 1406 CG ASP A 96 28.028 7.637 3.735 1.00 0.00 C ATOM 1407 OD1 ASP A 96 28.158 8.867 3.539 1.00 0.00 O ATOM 1408 OD2 ASP A 96 28.062 6.760 2.844 1.00 0.00 O ATOM 0 H ASP A 96 29.420 5.684 3.983 1.00 0.00 H new ATOM 0 HA ASP A 96 27.910 5.446 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 96 26.847 7.562 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 96 28.574 7.640 5.816 1.00 0.00 H new ATOM 1413 N ARG A 97 26.678 4.205 3.788 1.00 0.00 N ATOM 1414 CA ARG A 97 25.570 3.449 3.225 1.00 0.00 C ATOM 1415 C ARG A 97 25.751 1.967 3.559 1.00 0.00 C ATOM 1416 O ARG A 97 26.871 1.527 3.821 1.00 0.00 O ATOM 1417 CB ARG A 97 25.510 3.686 1.707 1.00 0.00 C ATOM 1418 CG ARG A 97 24.306 4.544 1.291 1.00 0.00 C ATOM 1419 CD ARG A 97 24.378 5.966 1.855 1.00 0.00 C ATOM 1420 NE ARG A 97 23.914 6.024 3.245 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.630 6.103 3.606 1.00 0.00 C ATOM 1422 NH1 ARG A 97 21.664 6.156 2.692 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.312 6.131 4.893 1.00 0.00 N ATOM 0 H ARG A 97 27.557 4.065 3.291 1.00 0.00 H new ATOM 0 HA ARG A 97 24.625 3.780 3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 97 26.429 4.174 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.461 2.725 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 97 24.255 4.590 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 97 23.388 4.067 1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.405 6.328 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 97 23.771 6.632 1.241 1.00 0.00 H new ATOM 0 HE ARG A 97 24.617 6.003 3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.899 6.136 1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 97 20.688 6.216 2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 97 23.046 6.092 5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.334 6.191 5.175 1.00 0.00 H new ATOM 1437 N PRO A 98 24.658 1.192 3.553 1.00 0.00 N ATOM 1438 CA PRO A 98 24.681 -0.216 3.902 1.00 0.00 C ATOM 1439 C PRO A 98 25.334 -1.030 2.794 1.00 0.00 C ATOM 1440 O PRO A 98 25.556 -0.529 1.691 1.00 0.00 O ATOM 1441 CB PRO A 98 23.217 -0.612 4.087 1.00 0.00 C ATOM 1442 CG PRO A 98 22.460 0.369 3.195 1.00 0.00 C ATOM 1443 CD PRO A 98 23.323 1.628 3.202 1.00 0.00 C ATOM 0 HA PRO A 98 25.262 -0.404 4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 98 23.041 -1.645 3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.908 -0.526 5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.338 -0.024 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.461 0.569 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.314 2.113 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 98 22.948 2.355 3.922 1.00 0.00 H new ATOM 1451 N VAL A 99 25.648 -2.292 3.089 1.00 0.00 N ATOM 1452 CA VAL A 99 26.329 -3.154 2.141 1.00 0.00 C ATOM 1453 C VAL A 99 25.853 -4.591 2.319 1.00 0.00 C ATOM 1454 O VAL A 99 25.850 -5.126 3.426 1.00 0.00 O ATOM 1455 CB VAL A 99 27.847 -3.036 2.342 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.250 -3.241 3.807 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.596 -4.066 1.507 1.00 0.00 C ATOM 0 H VAL A 99 25.437 -2.735 3.983 1.00 0.00 H new ATOM 0 HA VAL A 99 26.095 -2.846 1.122 1.00 0.00 H new ATOM 0 HB VAL A 99 28.113 -2.027 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.332 -3.149 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.765 -2.487 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.940 -4.233 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.668 -3.957 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.284 -5.068 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.373 -3.911 0.451 1.00 0.00 H new ATOM 1467 N LEU A 100 25.452 -5.209 1.208 1.00 0.00 N ATOM 1468 CA LEU A 100 25.180 -6.634 1.157 1.00 0.00 C ATOM 1469 C LEU A 100 26.491 -7.364 0.876 1.00 0.00 C ATOM 1470 O LEU A 100 27.398 -6.796 0.271 1.00 0.00 O ATOM 1471 CB LEU A 100 24.137 -6.927 0.074 1.00 0.00 C ATOM 1472 CG LEU A 100 22.788 -6.261 0.386 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.832 -6.492 -0.784 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.169 -6.865 1.645 1.00 0.00 C ATOM 0 H LEU A 100 25.308 -4.729 0.320 1.00 0.00 H new ATOM 0 HA LEU A 100 24.774 -6.981 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.504 -6.572 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.998 -8.004 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 100 22.954 -5.195 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.873 -6.022 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.254 -6.057 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.687 -7.562 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.214 -6.380 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 100 22.009 -7.933 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.841 -6.713 2.490 1.00 0.00 H new ATOM 1486 N GLN A 101 26.603 -8.619 1.312 1.00 0.00 N ATOM 1487 CA GLN A 101 27.851 -9.363 1.210 1.00 0.00 C ATOM 1488 C GLN A 101 27.560 -10.808 0.793 1.00 0.00 C ATOM 1489 O GLN A 101 27.062 -11.047 -0.308 1.00 0.00 O ATOM 1490 CB GLN A 101 28.603 -9.249 2.541 1.00 0.00 C ATOM 1491 CG GLN A 101 30.057 -9.707 2.399 1.00 0.00 C ATOM 1492 CD GLN A 101 30.890 -9.297 3.607 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.356 -9.039 4.682 1.00 0.00 O ATOM 1494 NE2 GLN A 101 32.206 -9.238 3.436 1.00 0.00 N ATOM 0 H GLN A 101 25.838 -9.141 1.741 1.00 0.00 H new ATOM 0 HA GLN A 101 28.497 -8.947 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.577 -8.216 2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.101 -9.853 3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.089 -10.790 2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.489 -9.278 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.613 -9.460 2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.810 -8.971 4.213 1.00 0.00 H new ATOM 1503 N LYS A 102 27.865 -11.770 1.668 1.00 0.00 N ATOM 1504 CA LYS A 102 27.538 -13.177 1.470 1.00 0.00 C ATOM 1505 C LYS A 102 26.029 -13.348 1.256 1.00 0.00 C ATOM 1506 O LYS A 102 25.267 -12.419 1.527 1.00 0.00 O ATOM 1507 CB LYS A 102 28.073 -13.992 2.662 1.00 0.00 C ATOM 1508 CG LYS A 102 27.749 -13.381 4.036 1.00 0.00 C ATOM 1509 CD LYS A 102 26.254 -13.447 4.366 1.00 0.00 C ATOM 1510 CE LYS A 102 26.004 -13.039 5.818 1.00 0.00 C ATOM 1511 NZ LYS A 102 26.658 -13.965 6.764 1.00 0.00 N ATOM 0 H LYS A 102 28.353 -11.587 2.545 1.00 0.00 H new ATOM 0 HA LYS A 102 28.020 -13.556 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.657 -14.998 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.154 -14.090 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.312 -13.907 4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.077 -12.342 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 102 25.699 -12.789 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 102 25.883 -14.458 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.377 -12.028 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 102 24.931 -13.018 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.200 -13.891 7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 26.571 -14.940 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 27.664 -13.717 6.852 1.00 0.00 H new ATOM 1525 N PRO A 103 25.581 -14.518 0.772 1.00 0.00 N ATOM 1526 CA PRO A 103 24.175 -14.780 0.517 1.00 0.00 C ATOM 1527 C PRO A 103 23.299 -14.372 1.699 1.00 0.00 C ATOM 1528 O PRO A 103 23.708 -14.485 2.857 1.00 0.00 O ATOM 1529 CB PRO A 103 24.085 -16.273 0.213 1.00 0.00 C ATOM 1530 CG PRO A 103 25.472 -16.602 -0.348 1.00 0.00 C ATOM 1531 CD PRO A 103 26.401 -15.658 0.416 1.00 0.00 C ATOM 0 HA PRO A 103 23.802 -14.189 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.865 -16.854 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.297 -16.490 -0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.735 -17.646 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.521 -16.430 -1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.809 -16.141 1.304 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.248 -15.356 -0.200 1.00 0.00 H new ATOM 1539 N PHE A 104 22.089 -13.893 1.403 1.00 0.00 N ATOM 1540 CA PHE A 104 21.220 -13.264 2.384 1.00 0.00 C ATOM 1541 C PHE A 104 19.771 -13.737 2.352 1.00 0.00 C ATOM 1542 O PHE A 104 19.278 -14.174 1.314 1.00 0.00 O ATOM 1543 CB PHE A 104 21.345 -11.744 2.293 1.00 0.00 C ATOM 1544 CG PHE A 104 21.605 -11.261 0.884 1.00 0.00 C ATOM 1545 CD1 PHE A 104 20.596 -11.332 -0.086 1.00 0.00 C ATOM 1546 CD2 PHE A 104 22.869 -10.761 0.542 1.00 0.00 C ATOM 1547 CE1 PHE A 104 20.855 -10.923 -1.401 1.00 0.00 C ATOM 1548 CE2 PHE A 104 23.129 -10.354 -0.775 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.126 -10.440 -1.746 1.00 0.00 C ATOM 0 H PHE A 104 21.687 -13.934 0.466 1.00 0.00 H new ATOM 0 HA PHE A 104 21.571 -13.590 3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.429 -11.286 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.155 -11.411 2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 104 19.617 -11.703 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.643 -10.689 1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 104 20.077 -10.980 -2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 104 24.105 -9.974 -1.039 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.330 -10.134 -2.762 1.00 0.00 H new ATOM 1559 N THR A 105 19.099 -13.650 3.500 1.00 0.00 N ATOM 1560 CA THR A 105 17.691 -14.003 3.628 1.00 0.00 C ATOM 1561 C THR A 105 16.758 -12.872 3.218 1.00 0.00 C ATOM 1562 O THR A 105 17.209 -11.775 2.893 1.00 0.00 O ATOM 1563 CB THR A 105 17.377 -14.505 5.044 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.116 -13.399 5.880 1.00 0.00 O ATOM 1565 CG2 THR A 105 18.531 -15.322 5.627 1.00 0.00 C ATOM 0 H THR A 105 19.522 -13.330 4.371 1.00 0.00 H new ATOM 0 HA THR A 105 17.507 -14.818 2.928 1.00 0.00 H new ATOM 0 HB THR A 105 16.504 -15.155 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.913 -13.714 6.786 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.268 -15.658 6.630 1.00 0.00 H new ATOM 0 HG22 THR A 105 18.721 -16.187 4.992 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.427 -14.703 5.675 1.00 0.00 H new ATOM 1573 N MET A 106 15.450 -13.137 3.239 1.00 0.00 N ATOM 1574 CA MET A 106 14.455 -12.130 2.924 1.00 0.00 C ATOM 1575 C MET A 106 14.563 -10.959 3.906 1.00 0.00 C ATOM 1576 O MET A 106 14.257 -9.821 3.560 1.00 0.00 O ATOM 1577 CB MET A 106 13.069 -12.774 2.993 1.00 0.00 C ATOM 1578 CG MET A 106 11.930 -11.787 2.704 1.00 0.00 C ATOM 1579 SD MET A 106 11.672 -11.381 0.953 1.00 0.00 S ATOM 1580 CE MET A 106 12.867 -10.040 0.742 1.00 0.00 C ATOM 0 H MET A 106 15.061 -14.050 3.474 1.00 0.00 H new ATOM 0 HA MET A 106 14.621 -11.740 1.920 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.021 -13.595 2.277 1.00 0.00 H new ATOM 0 HB3 MET A 106 12.925 -13.206 3.983 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.004 -12.201 3.103 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.127 -10.863 3.248 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.734 -9.585 -0.240 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.710 -9.288 1.515 1.00 0.00 H new ATOM 0 HE3 MET A 106 13.879 -10.438 0.823 1.00 0.00 H new ATOM 1590 N ASP A 107 15.001 -11.242 5.135 1.00 0.00 N ATOM 1591 CA ASP A 107 15.178 -10.215 6.150 1.00 0.00 C ATOM 1592 C ASP A 107 16.516 -9.490 6.015 1.00 0.00 C ATOM 1593 O ASP A 107 16.666 -8.370 6.504 1.00 0.00 O ATOM 1594 CB ASP A 107 15.041 -10.834 7.544 1.00 0.00 C ATOM 1595 CG ASP A 107 13.621 -11.329 7.831 1.00 0.00 C ATOM 1596 OD1 ASP A 107 12.736 -11.100 6.981 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.446 -11.938 8.911 1.00 0.00 O ATOM 0 H ASP A 107 15.240 -12.183 5.447 1.00 0.00 H new ATOM 0 HA ASP A 107 14.397 -9.468 6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.738 -11.667 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.323 -10.096 8.295 1.00 0.00 H new ATOM 1602 N GLY A 108 17.491 -10.119 5.353 1.00 0.00 N ATOM 1603 CA GLY A 108 18.815 -9.540 5.185 1.00 0.00 C ATOM 1604 C GLY A 108 18.796 -8.406 4.163 1.00 0.00 C ATOM 1605 O GLY A 108 19.492 -7.407 4.334 1.00 0.00 O ATOM 0 H GLY A 108 17.380 -11.037 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.175 -9.164 6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.514 -10.312 4.863 1.00 0.00 H new ATOM 1609 N VAL A 109 17.998 -8.555 3.099 1.00 0.00 N ATOM 1610 CA VAL A 109 17.852 -7.500 2.103 1.00 0.00 C ATOM 1611 C VAL A 109 16.903 -6.417 2.598 1.00 0.00 C ATOM 1612 O VAL A 109 17.027 -5.259 2.207 1.00 0.00 O ATOM 1613 CB VAL A 109 17.384 -8.087 0.770 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.284 -9.244 0.345 1.00 0.00 C ATOM 1615 CG2 VAL A 109 15.945 -8.594 0.872 1.00 0.00 C ATOM 0 H VAL A 109 17.448 -9.393 2.911 1.00 0.00 H new ATOM 0 HA VAL A 109 18.825 -7.035 1.942 1.00 0.00 H new ATOM 0 HB VAL A 109 17.435 -7.291 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.934 -9.647 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.308 -8.886 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.254 -10.026 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.636 -9.006 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 109 15.886 -9.369 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.286 -7.768 1.141 1.00 0.00 H new ATOM 1625 N ALA A 110 15.954 -6.784 3.465 1.00 0.00 N ATOM 1626 CA ALA A 110 15.053 -5.815 4.066 1.00 0.00 C ATOM 1627 C ALA A 110 15.812 -4.963 5.082 1.00 0.00 C ATOM 1628 O ALA A 110 15.436 -3.821 5.340 1.00 0.00 O ATOM 1629 CB ALA A 110 13.898 -6.555 4.736 1.00 0.00 C ATOM 0 H ALA A 110 15.796 -7.747 3.762 1.00 0.00 H new ATOM 0 HA ALA A 110 14.652 -5.154 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.218 -5.834 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.361 -7.142 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.290 -7.219 5.507 1.00 0.00 H new ATOM 1635 N LYS A 111 16.884 -5.520 5.656 1.00 0.00 N ATOM 1636 CA LYS A 111 17.720 -4.820 6.617 1.00 0.00 C ATOM 1637 C LYS A 111 18.524 -3.729 5.918 1.00 0.00 C ATOM 1638 O LYS A 111 18.699 -2.641 6.463 1.00 0.00 O ATOM 1639 CB LYS A 111 18.649 -5.838 7.277 1.00 0.00 C ATOM 1640 CG LYS A 111 19.478 -5.202 8.393 1.00 0.00 C ATOM 1641 CD LYS A 111 20.417 -6.269 8.958 1.00 0.00 C ATOM 1642 CE LYS A 111 21.114 -5.758 10.221 1.00 0.00 C ATOM 1643 NZ LYS A 111 21.948 -4.576 9.940 1.00 0.00 N ATOM 0 H LYS A 111 17.191 -6.473 5.461 1.00 0.00 H new ATOM 0 HA LYS A 111 17.101 -4.342 7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.059 -6.659 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.314 -6.265 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.050 -4.358 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.827 -4.815 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 111 19.853 -7.173 9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.162 -6.540 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.366 -5.506 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 111 21.734 -6.550 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 22.496 -4.328 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 22.599 -4.788 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.338 -3.776 9.676 1.00 0.00 H new ATOM 1657 N ALA A 112 19.014 -4.021 4.708 1.00 0.00 N ATOM 1658 CA ALA A 112 19.796 -3.065 3.941 1.00 0.00 C ATOM 1659 C ALA A 112 18.909 -1.933 3.427 1.00 0.00 C ATOM 1660 O ALA A 112 19.297 -0.769 3.487 1.00 0.00 O ATOM 1661 CB ALA A 112 20.467 -3.789 2.774 1.00 0.00 C ATOM 0 H ALA A 112 18.878 -4.919 4.243 1.00 0.00 H new ATOM 0 HA ALA A 112 20.559 -2.627 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.055 -3.078 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.121 -4.572 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.704 -4.235 2.135 1.00 0.00 H new ATOM 1667 N LEU A 113 17.718 -2.271 2.924 1.00 0.00 N ATOM 1668 CA LEU A 113 16.812 -1.281 2.362 1.00 0.00 C ATOM 1669 C LEU A 113 16.279 -0.367 3.466 1.00 0.00 C ATOM 1670 O LEU A 113 15.894 0.768 3.188 1.00 0.00 O ATOM 1671 CB LEU A 113 15.653 -2.009 1.657 1.00 0.00 C ATOM 1672 CG LEU A 113 15.896 -2.210 0.152 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.675 -0.897 -0.591 1.00 0.00 C ATOM 1674 CD2 LEU A 113 17.309 -2.707 -0.151 1.00 0.00 C ATOM 0 H LEU A 113 17.364 -3.227 2.897 1.00 0.00 H new ATOM 0 HA LEU A 113 17.344 -0.663 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.502 -2.980 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.734 -1.440 1.798 1.00 0.00 H new ATOM 0 HG LEU A 113 15.188 -2.969 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.849 -1.048 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.651 -0.559 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 113 16.367 -0.144 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.428 -2.832 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.036 -1.980 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.473 -3.663 0.346 1.00 0.00 H new ATOM 1686 N ALA A 114 16.256 -0.849 4.711 1.00 0.00 N ATOM 1687 CA ALA A 114 15.856 -0.028 5.844 1.00 0.00 C ATOM 1688 C ALA A 114 17.027 0.836 6.309 1.00 0.00 C ATOM 1689 O ALA A 114 16.835 1.978 6.715 1.00 0.00 O ATOM 1690 CB ALA A 114 15.377 -0.936 6.975 1.00 0.00 C ATOM 0 H ALA A 114 16.511 -1.806 4.955 1.00 0.00 H new ATOM 0 HA ALA A 114 15.043 0.634 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.076 -0.327 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.527 -1.527 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.186 -1.603 7.273 1.00 0.00 H new ATOM 1696 N ALA A 115 18.245 0.289 6.245 1.00 0.00 N ATOM 1697 CA ALA A 115 19.449 0.992 6.662 1.00 0.00 C ATOM 1698 C ALA A 115 19.756 2.170 5.736 1.00 0.00 C ATOM 1699 O ALA A 115 20.567 3.027 6.084 1.00 0.00 O ATOM 1700 CB ALA A 115 20.615 0.005 6.696 1.00 0.00 C ATOM 0 H ALA A 115 18.418 -0.656 5.901 1.00 0.00 H new ATOM 0 HA ALA A 115 19.293 1.403 7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.522 0.524 7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.394 -0.795 7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.762 -0.418 5.702 1.00 0.00 H new ATOM 1706 N LEU A 116 19.120 2.223 4.562 1.00 0.00 N ATOM 1707 CA LEU A 116 19.262 3.364 3.667 1.00 0.00 C ATOM 1708 C LEU A 116 18.680 4.626 4.314 1.00 0.00 C ATOM 1709 O LEU A 116 19.071 5.734 3.950 1.00 0.00 O ATOM 1710 CB LEU A 116 18.543 3.070 2.345 1.00 0.00 C ATOM 1711 CG LEU A 116 19.313 2.046 1.504 1.00 0.00 C ATOM 1712 CD1 LEU A 116 18.429 1.613 0.339 1.00 0.00 C ATOM 1713 CD2 LEU A 116 20.600 2.651 0.950 1.00 0.00 C ATOM 0 H LEU A 116 18.504 1.488 4.214 1.00 0.00 H new ATOM 0 HA LEU A 116 20.321 3.534 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.541 2.694 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.427 3.994 1.779 1.00 0.00 H new ATOM 0 HG LEU A 116 19.573 1.195 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.962 0.883 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 116 17.513 1.164 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 116 18.179 2.481 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 116 21.127 1.904 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 116 20.358 3.508 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 116 21.235 2.974 1.775 1.00 0.00 H new ATOM 1725 N LEU A 117 17.754 4.456 5.268 1.00 0.00 N ATOM 1726 CA LEU A 117 17.147 5.571 5.984 1.00 0.00 C ATOM 1727 C LEU A 117 17.634 5.590 7.432 1.00 0.00 C ATOM 1728 O LEU A 117 17.838 6.658 8.008 1.00 0.00 O ATOM 1729 CB LEU A 117 15.619 5.426 5.989 1.00 0.00 C ATOM 1730 CG LEU A 117 14.939 5.618 4.624 1.00 0.00 C ATOM 1731 CD1 LEU A 117 15.338 6.951 3.996 1.00 0.00 C ATOM 1732 CD2 LEU A 117 15.261 4.483 3.650 1.00 0.00 C ATOM 0 H LEU A 117 17.410 3.541 5.560 1.00 0.00 H new ATOM 0 HA LEU A 117 17.431 6.496 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.365 4.436 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.204 6.151 6.689 1.00 0.00 H new ATOM 0 HG LEU A 117 13.865 5.610 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.843 7.061 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.038 7.767 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.418 6.978 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.757 4.665 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 117 16.338 4.438 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.917 3.537 4.068 1.00 0.00 H new ATOM 1744 N VAL A 118 17.813 4.399 8.012 1.00 0.00 N ATOM 1745 CA VAL A 118 18.178 4.239 9.415 1.00 0.00 C ATOM 1746 C VAL A 118 19.688 4.362 9.591 1.00 0.00 C ATOM 1747 O VAL A 118 20.115 5.392 10.155 1.00 0.00 O ATOM 1748 CB VAL A 118 17.664 2.885 9.913 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.050 2.682 11.373 1.00 0.00 C ATOM 1750 CG2 VAL A 118 16.143 2.821 9.791 1.00 0.00 C ATOM 0 H VAL A 118 17.707 3.515 7.514 1.00 0.00 H new ATOM 0 HA VAL A 118 17.718 5.029 10.009 1.00 0.00 H new ATOM 0 HB VAL A 118 18.113 2.102 9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.679 1.716 11.716 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.135 2.709 11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.612 3.475 11.979 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.790 1.854 10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.696 3.614 10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.856 2.949 8.747 1.00 0.00 H new TER 1760 VAL A 118