USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=21 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 Set 1.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 6 GLN :FLIP amide:sc= -1.27 F(o=-2.2,f=-1.3) USER MOD Single : A 1 MET CE :methyl -113:sc= -0.0165 (180deg=-0.22) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -114:sc= -0.215 (180deg=-0.973) USER MOD Single : A 19 MET CE :methyl 169:sc= -1.35 (180deg=-1.85) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0.705 (180deg=0.428) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.988 K(o=0.99,f=-1.9!) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.48 (180deg=0.393) USER MOD Single : A 65 SER OG : rot -100:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.521 K(o=0.52,f=-0.7) USER MOD Single : A 102 LYS NZ :NH3+ -160:sc= -0.0764 (180deg=-0.449) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 106 MET CE :methyl -178:sc= -0.922 (180deg=-0.943) USER MOD Single : A 111 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0772) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.471 1.330 1.611 1.00 0.00 N ATOM 2 CA MET A 1 7.038 2.508 0.924 1.00 0.00 C ATOM 3 C MET A 1 6.912 2.357 -0.591 1.00 0.00 C ATOM 4 O MET A 1 7.732 1.696 -1.222 1.00 0.00 O ATOM 5 CB MET A 1 8.498 2.721 1.338 1.00 0.00 C ATOM 6 CG MET A 1 9.090 3.953 0.645 1.00 0.00 C ATOM 7 SD MET A 1 8.268 5.517 1.067 1.00 0.00 S ATOM 8 CE MET A 1 8.748 5.659 2.810 1.00 0.00 C ATOM 0 H1 MET A 1 6.565 1.449 2.640 1.00 0.00 H new ATOM 0 H2 MET A 1 5.465 1.235 1.364 1.00 0.00 H new ATOM 0 H3 MET A 1 6.983 0.475 1.314 1.00 0.00 H new ATOM 0 HA MET A 1 6.472 3.390 1.223 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.559 2.843 2.419 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.085 1.839 1.083 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.146 4.029 0.905 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.038 3.808 -0.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.865 5.556 3.440 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.462 4.873 3.056 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.206 6.633 2.983 1.00 0.00 H new ATOM 20 N SER A 2 5.879 2.973 -1.170 1.00 0.00 N ATOM 21 CA SER A 2 5.617 2.895 -2.601 1.00 0.00 C ATOM 22 C SER A 2 6.544 3.817 -3.398 1.00 0.00 C ATOM 23 O SER A 2 6.551 3.769 -4.627 1.00 0.00 O ATOM 24 CB SER A 2 4.158 3.266 -2.871 1.00 0.00 C ATOM 25 OG SER A 2 3.308 2.346 -2.218 1.00 0.00 O ATOM 0 H SER A 2 5.203 3.539 -0.657 1.00 0.00 H new ATOM 0 HA SER A 2 5.809 1.872 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.957 4.277 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.963 3.260 -3.943 1.00 0.00 H new ATOM 0 HG SER A 2 2.373 2.585 -2.390 1.00 0.00 H new ATOM 31 N ALA A 3 7.326 4.652 -2.707 1.00 0.00 N ATOM 32 CA ALA A 3 8.259 5.573 -3.350 1.00 0.00 C ATOM 33 C ALA A 3 9.530 4.849 -3.818 1.00 0.00 C ATOM 34 O ALA A 3 10.499 5.496 -4.223 1.00 0.00 O ATOM 35 CB ALA A 3 8.606 6.699 -2.380 1.00 0.00 C ATOM 0 H ALA A 3 7.328 4.706 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 3 7.781 5.992 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.303 7.388 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.697 7.234 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.066 6.280 -1.485 1.00 0.00 H new ATOM 41 N LEU A 4 9.530 3.513 -3.762 1.00 0.00 N ATOM 42 CA LEU A 4 10.671 2.707 -4.166 1.00 0.00 C ATOM 43 C LEU A 4 10.190 1.364 -4.707 1.00 0.00 C ATOM 44 O LEU A 4 9.577 0.587 -3.974 1.00 0.00 O ATOM 45 CB LEU A 4 11.592 2.529 -2.951 1.00 0.00 C ATOM 46 CG LEU A 4 12.671 1.460 -3.175 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.552 1.826 -4.364 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.549 1.380 -1.927 1.00 0.00 C ATOM 0 H LEU A 4 8.734 2.966 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 4 11.228 3.200 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.072 3.481 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.992 2.257 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 4 12.185 0.505 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.310 1.056 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.939 1.901 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.038 2.783 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.320 0.624 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.018 2.348 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.935 1.111 -1.067 1.00 0.00 H new ATOM 60 N THR A 5 10.465 1.096 -5.986 1.00 0.00 N ATOM 61 CA THR A 5 10.082 -0.160 -6.624 1.00 0.00 C ATOM 62 C THR A 5 11.114 -0.459 -7.711 1.00 0.00 C ATOM 63 O THR A 5 11.659 -1.559 -7.739 1.00 0.00 O ATOM 64 CB THR A 5 8.697 -0.018 -7.266 1.00 0.00 C ATOM 65 OG1 THR A 5 8.462 1.313 -7.671 1.00 0.00 O ATOM 66 CG2 THR A 5 7.622 -0.426 -6.259 1.00 0.00 C ATOM 0 H THR A 5 10.957 1.742 -6.603 1.00 0.00 H new ATOM 0 HA THR A 5 10.046 -0.964 -5.889 1.00 0.00 H new ATOM 0 HB THR A 5 8.660 -0.665 -8.142 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.573 1.379 -8.079 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.638 -0.325 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.778 -1.462 -5.960 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.682 0.218 -5.382 1.00 0.00 H new ATOM 74 N GLN A 6 11.388 0.496 -8.602 1.00 0.00 N ATOM 75 CA GLN A 6 12.366 0.271 -9.659 1.00 0.00 C ATOM 76 C GLN A 6 13.778 0.315 -9.087 1.00 0.00 C ATOM 77 O GLN A 6 14.211 1.346 -8.574 1.00 0.00 O ATOM 78 CB GLN A 6 12.209 1.309 -10.776 1.00 0.00 C ATOM 79 CG GLN A 6 10.881 1.134 -11.524 1.00 0.00 C ATOM 80 CD GLN A 6 9.678 1.534 -10.685 1.00 0.00 C ATOM 81 OE1 GLN A 6 9.750 2.682 -10.019 1.00 0.00 O flip ATOM 82 NE2 GLN A 6 8.688 0.807 -10.631 1.00 0.00 N flip ATOM 0 H GLN A 6 10.952 1.418 -8.611 1.00 0.00 H new ATOM 0 HA GLN A 6 12.190 -0.716 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.259 2.312 -10.352 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.038 1.218 -11.478 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.900 1.734 -12.434 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.775 0.093 -11.830 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.668 -0.067 -11.156 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.887 1.078 -10.061 1.00 0.00 H new ATOM 91 N ILE A 7 14.492 -0.811 -9.171 1.00 0.00 N ATOM 92 CA ILE A 7 15.857 -0.904 -8.681 1.00 0.00 C ATOM 93 C ILE A 7 16.767 -1.519 -9.738 1.00 0.00 C ATOM 94 O ILE A 7 16.411 -2.519 -10.360 1.00 0.00 O ATOM 95 CB ILE A 7 15.884 -1.707 -7.372 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.015 -0.984 -6.331 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.326 -1.847 -6.879 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.170 -1.588 -4.936 1.00 0.00 C ATOM 0 H ILE A 7 14.137 -1.675 -9.579 1.00 0.00 H new ATOM 0 HA ILE A 7 16.234 0.097 -8.474 1.00 0.00 H new ATOM 0 HB ILE A 7 15.485 -2.708 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.287 0.071 -6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.969 -1.035 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.339 -2.417 -5.950 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.919 -2.366 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.748 -0.858 -6.703 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.538 -1.046 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.872 -2.636 -4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.211 -1.513 -4.621 1.00 0.00 H new ATOM 110 N LEU A 8 17.947 -0.922 -9.935 1.00 0.00 N ATOM 111 CA LEU A 8 18.966 -1.471 -10.818 1.00 0.00 C ATOM 112 C LEU A 8 20.004 -2.233 -9.996 1.00 0.00 C ATOM 113 O LEU A 8 20.212 -1.929 -8.822 1.00 0.00 O ATOM 114 CB LEU A 8 19.626 -0.348 -11.629 1.00 0.00 C ATOM 115 CG LEU A 8 20.330 -0.931 -12.862 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.324 -1.121 -13.994 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.439 -0.005 -13.351 1.00 0.00 C ATOM 0 H LEU A 8 18.216 -0.047 -9.485 1.00 0.00 H new ATOM 0 HA LEU A 8 18.500 -2.165 -11.518 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.874 0.377 -11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.346 0.185 -11.008 1.00 0.00 H new ATOM 0 HG LEU A 8 20.764 -1.889 -12.574 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.831 -1.535 -14.866 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.539 -1.805 -13.672 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.883 -0.159 -14.254 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.920 -0.444 -14.225 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.014 0.963 -13.618 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.177 0.129 -12.560 1.00 0.00 H new ATOM 129 N ILE A 9 20.656 -3.221 -10.610 1.00 0.00 N ATOM 130 CA ILE A 9 21.711 -3.982 -9.963 1.00 0.00 C ATOM 131 C ILE A 9 22.958 -3.930 -10.841 1.00 0.00 C ATOM 132 O ILE A 9 22.855 -3.983 -12.067 1.00 0.00 O ATOM 133 CB ILE A 9 21.248 -5.428 -9.712 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.848 -5.461 -9.068 1.00 0.00 C ATOM 135 CG2 ILE A 9 22.255 -6.153 -8.815 1.00 0.00 C ATOM 136 CD1 ILE A 9 19.269 -6.877 -9.100 1.00 0.00 C ATOM 0 H ILE A 9 20.464 -3.512 -11.569 1.00 0.00 H new ATOM 0 HA ILE A 9 21.949 -3.549 -8.991 1.00 0.00 H new ATOM 0 HB ILE A 9 21.190 -5.937 -10.674 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.908 -5.111 -8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.183 -4.779 -9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.919 -7.175 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.230 -6.169 -9.302 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.334 -5.632 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.281 -6.876 -8.640 1.00 0.00 H new ATOM 0 HD12 ILE A 9 19.188 -7.214 -10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.925 -7.551 -8.549 1.00 0.00 H new ATOM 148 N VAL A 10 24.137 -3.827 -10.223 1.00 0.00 N ATOM 149 CA VAL A 10 25.391 -3.729 -10.956 1.00 0.00 C ATOM 150 C VAL A 10 26.461 -4.606 -10.322 1.00 0.00 C ATOM 151 O VAL A 10 27.069 -4.227 -9.325 1.00 0.00 O ATOM 152 CB VAL A 10 25.850 -2.268 -11.040 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.048 -2.159 -11.981 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.724 -1.353 -11.537 1.00 0.00 C ATOM 0 H VAL A 10 24.244 -3.810 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 10 25.226 -4.091 -11.971 1.00 0.00 H new ATOM 0 HB VAL A 10 26.132 -1.946 -10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.372 -1.120 -12.039 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.865 -2.773 -11.603 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.763 -2.506 -12.974 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.084 -0.325 -11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.407 -1.672 -12.530 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.879 -1.410 -10.851 1.00 0.00 H new ATOM 164 N GLU A 11 26.687 -5.784 -10.905 1.00 0.00 N ATOM 165 CA GLU A 11 27.638 -6.755 -10.382 1.00 0.00 C ATOM 166 C GLU A 11 27.927 -7.817 -11.439 1.00 0.00 C ATOM 167 O GLU A 11 27.387 -7.759 -12.543 1.00 0.00 O ATOM 168 CB GLU A 11 27.066 -7.393 -9.112 1.00 0.00 C ATOM 169 CG GLU A 11 25.779 -8.170 -9.408 1.00 0.00 C ATOM 170 CD GLU A 11 25.095 -8.604 -8.113 1.00 0.00 C ATOM 171 OE1 GLU A 11 23.969 -9.132 -8.216 1.00 0.00 O ATOM 172 OE2 GLU A 11 25.704 -8.403 -7.037 1.00 0.00 O ATOM 0 H GLU A 11 26.213 -6.089 -11.755 1.00 0.00 H new ATOM 0 HA GLU A 11 28.575 -6.256 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 11 27.806 -8.064 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.863 -6.618 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.100 -7.548 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.010 -9.046 -10.014 1.00 0.00 H new ATOM 179 N ASP A 12 28.775 -8.791 -11.101 1.00 0.00 N ATOM 180 CA ASP A 12 29.166 -9.840 -12.034 1.00 0.00 C ATOM 181 C ASP A 12 29.003 -11.253 -11.455 1.00 0.00 C ATOM 182 O ASP A 12 29.108 -12.241 -12.182 1.00 0.00 O ATOM 183 CB ASP A 12 30.591 -9.567 -12.527 1.00 0.00 C ATOM 184 CG ASP A 12 31.160 -10.720 -13.352 1.00 0.00 C ATOM 185 OD1 ASP A 12 30.529 -11.058 -14.381 1.00 0.00 O ATOM 186 OD2 ASP A 12 32.218 -11.250 -12.949 1.00 0.00 O ATOM 0 H ASP A 12 29.205 -8.871 -10.179 1.00 0.00 H new ATOM 0 HA ASP A 12 28.486 -9.813 -12.885 1.00 0.00 H new ATOM 0 HB2 ASP A 12 30.595 -8.658 -13.129 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.239 -9.384 -11.670 1.00 0.00 H new ATOM 191 N GLU A 13 28.738 -11.363 -10.147 1.00 0.00 N ATOM 192 CA GLU A 13 28.538 -12.660 -9.510 1.00 0.00 C ATOM 193 C GLU A 13 27.139 -13.182 -9.849 1.00 0.00 C ATOM 194 O GLU A 13 26.170 -12.427 -9.762 1.00 0.00 O ATOM 195 CB GLU A 13 28.703 -12.502 -7.993 1.00 0.00 C ATOM 196 CG GLU A 13 28.701 -13.855 -7.270 1.00 0.00 C ATOM 197 CD GLU A 13 29.983 -14.656 -7.523 1.00 0.00 C ATOM 198 OE1 GLU A 13 30.068 -15.777 -6.971 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.858 -14.147 -8.259 1.00 0.00 O ATOM 0 H GLU A 13 28.658 -10.567 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 13 29.274 -13.377 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.636 -11.980 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 13 27.896 -11.882 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.584 -13.691 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.841 -14.438 -7.599 1.00 0.00 H new ATOM 206 N PRO A 14 27.008 -14.459 -10.235 1.00 0.00 N ATOM 207 CA PRO A 14 25.727 -15.049 -10.574 1.00 0.00 C ATOM 208 C PRO A 14 24.848 -15.218 -9.342 1.00 0.00 C ATOM 209 O PRO A 14 23.653 -14.935 -9.392 1.00 0.00 O ATOM 210 CB PRO A 14 26.050 -16.414 -11.182 1.00 0.00 C ATOM 211 CG PRO A 14 27.438 -16.763 -10.645 1.00 0.00 C ATOM 212 CD PRO A 14 28.096 -15.407 -10.396 1.00 0.00 C ATOM 0 HA PRO A 14 25.174 -14.411 -11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.313 -17.162 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.046 -16.373 -12.271 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.374 -17.349 -9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 14 28.005 -17.355 -11.363 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.724 -15.435 -9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.739 -15.126 -11.230 1.00 0.00 H new ATOM 220 N LEU A 15 25.436 -15.682 -8.236 1.00 0.00 N ATOM 221 CA LEU A 15 24.677 -16.042 -7.046 1.00 0.00 C ATOM 222 C LEU A 15 23.961 -14.832 -6.458 1.00 0.00 C ATOM 223 O LEU A 15 22.817 -14.948 -6.023 1.00 0.00 O ATOM 224 CB LEU A 15 25.623 -16.634 -6.001 1.00 0.00 C ATOM 225 CG LEU A 15 25.872 -18.118 -6.265 1.00 0.00 C ATOM 226 CD1 LEU A 15 27.011 -18.597 -5.375 1.00 0.00 C ATOM 227 CD2 LEU A 15 24.621 -18.927 -5.927 1.00 0.00 C ATOM 0 H LEU A 15 26.443 -15.816 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 15 23.924 -16.777 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.570 -16.095 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.198 -16.504 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 15 26.123 -18.255 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.195 -19.656 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.913 -18.028 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 15 26.742 -18.451 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.808 -19.984 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.371 -18.788 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.790 -18.588 -6.546 1.00 0.00 H new ATOM 239 N ILE A 16 24.621 -13.675 -6.445 1.00 0.00 N ATOM 240 CA ILE A 16 24.030 -12.489 -5.848 1.00 0.00 C ATOM 241 C ILE A 16 22.982 -11.904 -6.792 1.00 0.00 C ATOM 242 O ILE A 16 22.039 -11.257 -6.344 1.00 0.00 O ATOM 243 CB ILE A 16 25.130 -11.478 -5.512 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.310 -12.156 -4.794 1.00 0.00 C ATOM 245 CG2 ILE A 16 24.564 -10.359 -4.637 1.00 0.00 C ATOM 246 CD1 ILE A 16 25.883 -12.905 -3.528 1.00 0.00 C ATOM 0 H ILE A 16 25.553 -13.539 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 16 23.526 -12.750 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 16 25.497 -11.057 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 16 26.793 -12.854 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.052 -11.402 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.354 -9.645 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 16 23.761 -9.850 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.173 -10.783 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.757 -13.363 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.425 -12.206 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.163 -13.680 -3.789 1.00 0.00 H new ATOM 258 N ALA A 17 23.139 -12.130 -8.103 1.00 0.00 N ATOM 259 CA ALA A 17 22.212 -11.612 -9.089 1.00 0.00 C ATOM 260 C ALA A 17 20.901 -12.396 -9.061 1.00 0.00 C ATOM 261 O ALA A 17 19.826 -11.804 -9.143 1.00 0.00 O ATOM 262 CB ALA A 17 22.857 -11.685 -10.473 1.00 0.00 C ATOM 0 H ALA A 17 23.908 -12.673 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 17 21.982 -10.573 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.163 -11.296 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.770 -11.089 -10.481 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.098 -12.722 -10.708 1.00 0.00 H new ATOM 268 N MET A 18 20.977 -13.727 -8.945 1.00 0.00 N ATOM 269 CA MET A 18 19.775 -14.552 -8.915 1.00 0.00 C ATOM 270 C MET A 18 19.046 -14.389 -7.580 1.00 0.00 C ATOM 271 O MET A 18 17.832 -14.586 -7.508 1.00 0.00 O ATOM 272 CB MET A 18 20.135 -16.015 -9.184 1.00 0.00 C ATOM 273 CG MET A 18 21.123 -16.571 -8.157 1.00 0.00 C ATOM 274 SD MET A 18 21.618 -18.288 -8.473 1.00 0.00 S ATOM 275 CE MET A 18 22.542 -18.071 -10.016 1.00 0.00 C ATOM 0 H MET A 18 21.851 -14.247 -8.871 1.00 0.00 H new ATOM 0 HA MET A 18 19.097 -14.222 -9.702 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.227 -16.618 -9.174 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.564 -16.103 -10.182 1.00 0.00 H new ATOM 0 HG2 MET A 18 22.013 -15.942 -8.146 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.676 -16.508 -7.165 1.00 0.00 H new ATOM 0 HE1 MET A 18 22.018 -18.575 -10.828 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.627 -17.008 -10.243 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.538 -18.499 -9.907 1.00 0.00 H new ATOM 285 N MET A 19 19.779 -14.021 -6.524 1.00 0.00 N ATOM 286 CA MET A 19 19.177 -13.750 -5.228 1.00 0.00 C ATOM 287 C MET A 19 18.427 -12.422 -5.249 1.00 0.00 C ATOM 288 O MET A 19 17.311 -12.340 -4.745 1.00 0.00 O ATOM 289 CB MET A 19 20.263 -13.736 -4.151 1.00 0.00 C ATOM 290 CG MET A 19 20.780 -15.150 -3.869 1.00 0.00 C ATOM 291 SD MET A 19 20.007 -15.976 -2.449 1.00 0.00 S ATOM 292 CE MET A 19 18.305 -16.116 -3.042 1.00 0.00 C ATOM 0 H MET A 19 20.792 -13.906 -6.549 1.00 0.00 H new ATOM 0 HA MET A 19 18.459 -14.538 -5.000 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.089 -13.101 -4.472 1.00 0.00 H new ATOM 0 HB3 MET A 19 19.864 -13.302 -3.234 1.00 0.00 H new ATOM 0 HG2 MET A 19 20.623 -15.763 -4.757 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.856 -15.101 -3.701 1.00 0.00 H new ATOM 0 HE1 MET A 19 17.741 -16.771 -2.378 1.00 0.00 H new ATOM 0 HE2 MET A 19 17.843 -15.129 -3.057 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.304 -16.533 -4.049 1.00 0.00 H new ATOM 302 N LEU A 20 19.032 -11.380 -5.828 1.00 0.00 N ATOM 303 CA LEU A 20 18.420 -10.061 -5.846 1.00 0.00 C ATOM 304 C LEU A 20 17.224 -10.024 -6.795 1.00 0.00 C ATOM 305 O LEU A 20 16.312 -9.226 -6.597 1.00 0.00 O ATOM 306 CB LEU A 20 19.463 -9.026 -6.264 1.00 0.00 C ATOM 307 CG LEU A 20 20.479 -8.779 -5.146 1.00 0.00 C ATOM 308 CD1 LEU A 20 21.612 -7.905 -5.682 1.00 0.00 C ATOM 309 CD2 LEU A 20 19.820 -8.053 -3.974 1.00 0.00 C ATOM 0 H LEU A 20 19.941 -11.431 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 20 18.057 -9.828 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.981 -9.369 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.967 -8.090 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 20 20.863 -9.741 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.339 -7.726 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.100 -8.412 -6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.206 -6.953 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.557 -7.886 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.428 -7.094 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.004 -8.660 -3.582 1.00 0.00 H new ATOM 321 N GLU A 21 17.212 -10.880 -7.818 1.00 0.00 N ATOM 322 CA GLU A 21 16.067 -10.978 -8.713 1.00 0.00 C ATOM 323 C GLU A 21 14.882 -11.613 -7.988 1.00 0.00 C ATOM 324 O GLU A 21 13.734 -11.242 -8.226 1.00 0.00 O ATOM 325 CB GLU A 21 16.455 -11.803 -9.940 1.00 0.00 C ATOM 326 CG GLU A 21 17.351 -10.980 -10.873 1.00 0.00 C ATOM 327 CD GLU A 21 16.548 -9.975 -11.706 1.00 0.00 C ATOM 328 OE1 GLU A 21 15.299 -10.011 -11.623 1.00 0.00 O ATOM 329 OE2 GLU A 21 17.199 -9.180 -12.421 1.00 0.00 O ATOM 0 H GLU A 21 17.981 -11.511 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 21 15.770 -9.980 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.977 -12.708 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.558 -12.120 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.096 -10.447 -10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.893 -11.651 -11.539 1.00 0.00 H new ATOM 336 N ASP A 22 15.158 -12.571 -7.099 1.00 0.00 N ATOM 337 CA ASP A 22 14.120 -13.252 -6.340 1.00 0.00 C ATOM 338 C ASP A 22 13.587 -12.355 -5.213 1.00 0.00 C ATOM 339 O ASP A 22 12.381 -12.307 -4.967 1.00 0.00 O ATOM 340 CB ASP A 22 14.699 -14.555 -5.781 1.00 0.00 C ATOM 341 CG ASP A 22 13.687 -15.340 -4.948 1.00 0.00 C ATOM 342 OD1 ASP A 22 12.471 -15.160 -5.181 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.147 -16.119 -4.084 1.00 0.00 O ATOM 0 H ASP A 22 16.104 -12.891 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 22 13.278 -13.480 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.045 -15.177 -6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.570 -14.327 -5.167 1.00 0.00 H new ATOM 348 N PHE A 23 14.490 -11.645 -4.527 1.00 0.00 N ATOM 349 CA PHE A 23 14.121 -10.833 -3.379 1.00 0.00 C ATOM 350 C PHE A 23 13.341 -9.563 -3.710 1.00 0.00 C ATOM 351 O PHE A 23 12.523 -9.114 -2.910 1.00 0.00 O ATOM 352 CB PHE A 23 15.351 -10.512 -2.534 1.00 0.00 C ATOM 353 CG PHE A 23 15.851 -11.674 -1.708 1.00 0.00 C ATOM 354 CD1 PHE A 23 14.983 -12.351 -0.841 1.00 0.00 C ATOM 355 CD2 PHE A 23 17.189 -12.072 -1.813 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.454 -13.429 -0.079 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.661 -13.148 -1.054 1.00 0.00 C ATOM 358 CZ PHE A 23 16.793 -13.832 -0.189 1.00 0.00 C ATOM 0 H PHE A 23 15.484 -11.622 -4.754 1.00 0.00 H new ATOM 0 HA PHE A 23 13.426 -11.446 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.153 -10.176 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.115 -9.682 -1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.951 -12.042 -0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.857 -11.548 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.787 -13.949 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.694 -13.453 -1.134 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.156 -14.668 0.391 1.00 0.00 H new ATOM 368 N LEU A 24 13.582 -8.977 -4.884 1.00 0.00 N ATOM 369 CA LEU A 24 12.880 -7.767 -5.276 1.00 0.00 C ATOM 370 C LEU A 24 11.466 -8.111 -5.732 1.00 0.00 C ATOM 371 O LEU A 24 10.534 -7.357 -5.477 1.00 0.00 O ATOM 372 CB LEU A 24 13.657 -7.066 -6.394 1.00 0.00 C ATOM 373 CG LEU A 24 14.967 -6.470 -5.866 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.777 -5.918 -7.038 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.687 -5.336 -4.883 1.00 0.00 C ATOM 0 H LEU A 24 14.253 -9.322 -5.571 1.00 0.00 H new ATOM 0 HA LEU A 24 12.809 -7.092 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.873 -7.777 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.043 -6.276 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 24 15.524 -7.254 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.710 -5.493 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.998 -6.723 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.202 -5.144 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.630 -4.927 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.120 -4.551 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.110 -5.718 -4.041 1.00 0.00 H new ATOM 387 N GLU A 25 11.303 -9.247 -6.409 1.00 0.00 N ATOM 388 CA GLU A 25 10.008 -9.647 -6.929 1.00 0.00 C ATOM 389 C GLU A 25 9.057 -10.049 -5.797 1.00 0.00 C ATOM 390 O GLU A 25 7.856 -9.798 -5.887 1.00 0.00 O ATOM 391 CB GLU A 25 10.225 -10.801 -7.908 1.00 0.00 C ATOM 392 CG GLU A 25 8.922 -11.476 -8.345 1.00 0.00 C ATOM 393 CD GLU A 25 8.029 -10.556 -9.182 1.00 0.00 C ATOM 394 OE1 GLU A 25 8.460 -9.416 -9.471 1.00 0.00 O ATOM 395 OE2 GLU A 25 6.915 -11.008 -9.528 1.00 0.00 O ATOM 0 H GLU A 25 12.057 -9.904 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 25 9.541 -8.808 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.746 -10.428 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.874 -11.544 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.157 -12.370 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.373 -11.802 -7.462 1.00 0.00 H new ATOM 402 N VAL A 26 9.580 -10.671 -4.733 1.00 0.00 N ATOM 403 CA VAL A 26 8.748 -11.081 -3.605 1.00 0.00 C ATOM 404 C VAL A 26 8.366 -9.890 -2.725 1.00 0.00 C ATOM 405 O VAL A 26 7.354 -9.936 -2.028 1.00 0.00 O ATOM 406 CB VAL A 26 9.454 -12.186 -2.811 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.616 -11.624 -1.998 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.470 -12.867 -1.863 1.00 0.00 C ATOM 0 H VAL A 26 10.569 -10.898 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 26 7.812 -11.487 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 26 9.841 -12.911 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.097 -12.431 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.340 -11.162 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.242 -10.877 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.984 -13.650 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.066 -12.131 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.656 -13.307 -2.439 1.00 0.00 H new ATOM 418 N LEU A 27 9.178 -8.827 -2.757 1.00 0.00 N ATOM 419 CA LEU A 27 8.868 -7.581 -2.066 1.00 0.00 C ATOM 420 C LEU A 27 7.951 -6.704 -2.927 1.00 0.00 C ATOM 421 O LEU A 27 7.769 -5.526 -2.627 1.00 0.00 O ATOM 422 CB LEU A 27 10.168 -6.839 -1.731 1.00 0.00 C ATOM 423 CG LEU A 27 10.945 -7.539 -0.617 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.283 -6.824 -0.426 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.169 -7.481 0.697 1.00 0.00 C ATOM 0 H LEU A 27 10.064 -8.811 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 27 8.343 -7.809 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.790 -6.773 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.937 -5.818 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 27 11.098 -8.582 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.848 -7.314 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.852 -6.863 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.104 -5.784 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.738 -7.985 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.008 -6.440 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.206 -7.976 0.573 1.00 0.00 H new ATOM 437 N ASP A 28 7.378 -7.277 -3.992 1.00 0.00 N ATOM 438 CA ASP A 28 6.540 -6.543 -4.933 1.00 0.00 C ATOM 439 C ASP A 28 7.257 -5.362 -5.592 1.00 0.00 C ATOM 440 O ASP A 28 6.610 -4.419 -6.056 1.00 0.00 O ATOM 441 CB ASP A 28 5.198 -6.154 -4.297 1.00 0.00 C ATOM 442 CG ASP A 28 4.304 -7.364 -4.025 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.692 -8.486 -4.414 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.229 -7.144 -3.421 1.00 0.00 O ATOM 0 H ASP A 28 7.486 -8.265 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 28 6.319 -7.224 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.383 -5.626 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.675 -5.461 -4.956 1.00 0.00 H new ATOM 449 N LYS A 29 8.592 -5.411 -5.629 1.00 0.00 N ATOM 450 CA LYS A 29 9.402 -4.379 -6.267 1.00 0.00 C ATOM 451 C LYS A 29 9.650 -4.778 -7.720 1.00 0.00 C ATOM 452 O LYS A 29 9.127 -5.795 -8.185 1.00 0.00 O ATOM 453 CB LYS A 29 10.722 -4.198 -5.509 1.00 0.00 C ATOM 454 CG LYS A 29 10.504 -3.999 -4.003 1.00 0.00 C ATOM 455 CD LYS A 29 9.636 -2.768 -3.728 1.00 0.00 C ATOM 456 CE LYS A 29 9.468 -2.578 -2.223 1.00 0.00 C ATOM 457 NZ LYS A 29 8.671 -1.368 -1.931 1.00 0.00 N ATOM 0 H LYS A 29 9.137 -6.168 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 29 8.876 -3.424 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.354 -5.071 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.256 -3.338 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.028 -4.884 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.467 -3.887 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.096 -1.882 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.661 -2.887 -4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.979 -3.453 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.447 -2.496 -1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.871 -1.046 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.921 -0.616 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.659 -1.589 -2.020 1.00 0.00 H new ATOM 471 N THR A 30 10.447 -3.985 -8.437 1.00 0.00 N ATOM 472 CA THR A 30 10.718 -4.223 -9.849 1.00 0.00 C ATOM 473 C THR A 30 12.202 -4.163 -10.203 1.00 0.00 C ATOM 474 O THR A 30 12.788 -3.081 -10.209 1.00 0.00 O ATOM 475 CB THR A 30 9.891 -3.267 -10.720 1.00 0.00 C ATOM 476 OG1 THR A 30 8.611 -3.066 -10.154 1.00 0.00 O ATOM 477 CG2 THR A 30 9.752 -3.832 -12.130 1.00 0.00 C ATOM 0 H THR A 30 10.919 -3.165 -8.055 1.00 0.00 H new ATOM 0 HA THR A 30 10.411 -5.247 -10.060 1.00 0.00 H new ATOM 0 HB THR A 30 10.407 -2.308 -10.769 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.096 -2.453 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.164 -3.147 -12.740 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.741 -3.954 -12.572 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.252 -4.800 -12.087 1.00 0.00 H new ATOM 485 N PRO A 31 12.823 -5.314 -10.501 1.00 0.00 N ATOM 486 CA PRO A 31 14.168 -5.361 -11.041 1.00 0.00 C ATOM 487 C PRO A 31 14.123 -4.935 -12.509 1.00 0.00 C ATOM 488 O PRO A 31 13.885 -5.760 -13.389 1.00 0.00 O ATOM 489 CB PRO A 31 14.613 -6.815 -10.883 1.00 0.00 C ATOM 490 CG PRO A 31 13.305 -7.607 -10.918 1.00 0.00 C ATOM 491 CD PRO A 31 12.265 -6.648 -10.347 1.00 0.00 C ATOM 0 HA PRO A 31 14.864 -4.692 -10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.284 -7.117 -11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.148 -6.969 -9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.051 -7.910 -11.934 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.376 -8.517 -10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.318 -6.738 -10.878 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.065 -6.869 -9.299 1.00 0.00 H new ATOM 499 N VAL A 32 14.350 -3.646 -12.771 1.00 0.00 N ATOM 500 CA VAL A 32 14.229 -3.100 -14.119 1.00 0.00 C ATOM 501 C VAL A 32 15.416 -3.480 -15.000 1.00 0.00 C ATOM 502 O VAL A 32 15.388 -3.233 -16.206 1.00 0.00 O ATOM 503 CB VAL A 32 14.054 -1.579 -14.066 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.841 -1.219 -13.213 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.292 -0.894 -13.486 1.00 0.00 C ATOM 0 H VAL A 32 14.619 -2.962 -12.064 1.00 0.00 H new ATOM 0 HA VAL A 32 13.341 -3.540 -14.572 1.00 0.00 H new ATOM 0 HB VAL A 32 13.908 -1.230 -15.088 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.726 -0.135 -13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.946 -1.667 -13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.983 -1.598 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.134 0.184 -13.463 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.468 -1.257 -12.473 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.158 -1.120 -14.108 1.00 0.00 H new ATOM 515 N GLY A 33 16.462 -4.081 -14.420 1.00 0.00 N ATOM 516 CA GLY A 33 17.595 -4.552 -15.200 1.00 0.00 C ATOM 517 C GLY A 33 18.830 -4.790 -14.340 1.00 0.00 C ATOM 518 O GLY A 33 18.869 -4.415 -13.167 1.00 0.00 O ATOM 0 H GLY A 33 16.540 -4.249 -13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.324 -5.478 -15.707 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.829 -3.821 -15.974 1.00 0.00 H new ATOM 522 N THR A 34 19.841 -5.419 -14.941 1.00 0.00 N ATOM 523 CA THR A 34 21.123 -5.682 -14.302 1.00 0.00 C ATOM 524 C THR A 34 22.231 -5.559 -15.337 1.00 0.00 C ATOM 525 O THR A 34 22.068 -5.991 -16.477 1.00 0.00 O ATOM 526 CB THR A 34 21.129 -7.075 -13.671 1.00 0.00 C ATOM 527 OG1 THR A 34 20.107 -7.184 -12.705 1.00 0.00 O ATOM 528 CG2 THR A 34 22.478 -7.356 -13.001 1.00 0.00 C ATOM 0 H THR A 34 19.787 -5.764 -15.900 1.00 0.00 H new ATOM 0 HA THR A 34 21.289 -4.953 -13.509 1.00 0.00 H new ATOM 0 HB THR A 34 20.959 -7.802 -14.465 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.123 -8.081 -12.312 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.464 -8.352 -12.558 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.272 -7.302 -13.745 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.659 -6.615 -12.223 1.00 0.00 H new ATOM 536 N VAL A 35 23.363 -4.971 -14.939 1.00 0.00 N ATOM 537 CA VAL A 35 24.502 -4.782 -15.829 1.00 0.00 C ATOM 538 C VAL A 35 25.811 -5.157 -15.140 1.00 0.00 C ATOM 539 O VAL A 35 25.852 -5.273 -13.916 1.00 0.00 O ATOM 540 CB VAL A 35 24.527 -3.355 -16.392 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.138 -2.922 -16.872 1.00 0.00 C ATOM 542 CG2 VAL A 35 24.990 -2.370 -15.324 1.00 0.00 C ATOM 0 H VAL A 35 23.511 -4.616 -13.994 1.00 0.00 H new ATOM 0 HA VAL A 35 24.389 -5.458 -16.676 1.00 0.00 H new ATOM 0 HB VAL A 35 25.219 -3.353 -17.234 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.189 -1.907 -17.265 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.797 -3.598 -17.656 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.438 -2.953 -16.037 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.002 -1.362 -15.739 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.306 -2.405 -14.476 1.00 0.00 H new ATOM 0 HG23 VAL A 35 25.993 -2.638 -14.992 1.00 0.00 H new ATOM 552 N ASP A 36 26.878 -5.343 -15.920 1.00 0.00 N ATOM 553 CA ASP A 36 28.167 -5.792 -15.402 1.00 0.00 C ATOM 554 C ASP A 36 29.331 -4.852 -15.732 1.00 0.00 C ATOM 555 O ASP A 36 30.482 -5.157 -15.428 1.00 0.00 O ATOM 556 CB ASP A 36 28.451 -7.238 -15.821 1.00 0.00 C ATOM 557 CG ASP A 36 28.186 -7.501 -17.305 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.028 -6.516 -18.061 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.150 -8.697 -17.673 1.00 0.00 O ATOM 0 H ASP A 36 26.870 -5.186 -16.928 1.00 0.00 H new ATOM 0 HA ASP A 36 28.087 -5.763 -14.315 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.491 -7.476 -15.597 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.834 -7.910 -15.224 1.00 0.00 H new ATOM 564 N THR A 37 29.026 -3.710 -16.355 1.00 0.00 N ATOM 565 CA THR A 37 30.015 -2.681 -16.661 1.00 0.00 C ATOM 566 C THR A 37 29.484 -1.282 -16.373 1.00 0.00 C ATOM 567 O THR A 37 28.272 -1.067 -16.356 1.00 0.00 O ATOM 568 CB THR A 37 30.536 -2.790 -18.095 1.00 0.00 C ATOM 569 OG1 THR A 37 29.605 -2.214 -18.987 1.00 0.00 O ATOM 570 CG2 THR A 37 30.798 -4.240 -18.498 1.00 0.00 C ATOM 0 H THR A 37 28.082 -3.476 -16.661 1.00 0.00 H new ATOM 0 HA THR A 37 30.861 -2.856 -15.996 1.00 0.00 H new ATOM 0 HB THR A 37 31.483 -2.253 -18.143 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.944 -2.285 -19.904 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.167 -4.272 -19.523 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.543 -4.674 -17.831 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.872 -4.810 -18.428 1.00 0.00 H new ATOM 578 N VAL A 38 30.387 -0.324 -16.143 1.00 0.00 N ATOM 579 CA VAL A 38 29.979 1.030 -15.799 1.00 0.00 C ATOM 580 C VAL A 38 29.356 1.771 -16.976 1.00 0.00 C ATOM 581 O VAL A 38 28.571 2.693 -16.778 1.00 0.00 O ATOM 582 CB VAL A 38 31.125 1.821 -15.160 1.00 0.00 C ATOM 583 CG1 VAL A 38 31.974 0.928 -14.255 1.00 0.00 C ATOM 584 CG2 VAL A 38 32.023 2.463 -16.218 1.00 0.00 C ATOM 0 H VAL A 38 31.396 -0.465 -16.190 1.00 0.00 H new ATOM 0 HA VAL A 38 29.193 0.938 -15.049 1.00 0.00 H new ATOM 0 HB VAL A 38 30.668 2.609 -14.561 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.779 1.516 -13.815 1.00 0.00 H new ATOM 0 HG12 VAL A 38 31.350 0.516 -13.461 1.00 0.00 H new ATOM 0 HG13 VAL A 38 32.398 0.114 -14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 38 32.825 3.016 -15.728 1.00 0.00 H new ATOM 0 HG22 VAL A 38 32.452 1.686 -16.851 1.00 0.00 H new ATOM 0 HG23 VAL A 38 31.433 3.145 -16.830 1.00 0.00 H new ATOM 594 N ALA A 39 29.696 1.377 -18.207 1.00 0.00 N ATOM 595 CA ALA A 39 29.128 1.996 -19.394 1.00 0.00 C ATOM 596 C ALA A 39 27.644 1.658 -19.496 1.00 0.00 C ATOM 597 O ALA A 39 26.842 2.489 -19.926 1.00 0.00 O ATOM 598 CB ALA A 39 29.883 1.501 -20.625 1.00 0.00 C ATOM 0 H ALA A 39 30.363 0.630 -18.401 1.00 0.00 H new ATOM 0 HA ALA A 39 29.226 3.080 -19.330 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.462 1.961 -21.519 1.00 0.00 H new ATOM 0 HB2 ALA A 39 30.936 1.771 -20.539 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.791 0.417 -20.697 1.00 0.00 H new ATOM 604 N GLY A 40 27.274 0.434 -19.100 1.00 0.00 N ATOM 605 CA GLY A 40 25.885 0.016 -19.095 1.00 0.00 C ATOM 606 C GLY A 40 25.168 0.552 -17.862 1.00 0.00 C ATOM 607 O GLY A 40 23.961 0.788 -17.901 1.00 0.00 O ATOM 0 H GLY A 40 27.928 -0.280 -18.779 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.388 0.375 -19.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.827 -1.072 -19.112 1.00 0.00 H new ATOM 611 N ALA A 41 25.905 0.752 -16.769 1.00 0.00 N ATOM 612 CA ALA A 41 25.327 1.246 -15.530 1.00 0.00 C ATOM 613 C ALA A 41 25.021 2.736 -15.629 1.00 0.00 C ATOM 614 O ALA A 41 24.006 3.191 -15.102 1.00 0.00 O ATOM 615 CB ALA A 41 26.297 0.960 -14.386 1.00 0.00 C ATOM 0 H ALA A 41 26.909 0.577 -16.722 1.00 0.00 H new ATOM 0 HA ALA A 41 24.383 0.735 -15.339 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.874 1.326 -13.450 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.466 -0.114 -14.312 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.244 1.464 -14.578 1.00 0.00 H new ATOM 621 N LEU A 42 25.892 3.497 -16.299 1.00 0.00 N ATOM 622 CA LEU A 42 25.671 4.919 -16.512 1.00 0.00 C ATOM 623 C LEU A 42 24.530 5.119 -17.503 1.00 0.00 C ATOM 624 O LEU A 42 23.790 6.096 -17.407 1.00 0.00 O ATOM 625 CB LEU A 42 26.956 5.559 -17.045 1.00 0.00 C ATOM 626 CG LEU A 42 28.018 5.701 -15.953 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.337 6.131 -16.592 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.609 6.756 -14.926 1.00 0.00 C ATOM 0 H LEU A 42 26.759 3.143 -16.703 1.00 0.00 H new ATOM 0 HA LEU A 42 25.402 5.394 -15.568 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.352 4.953 -17.860 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.728 6.541 -17.459 1.00 0.00 H new ATOM 0 HG LEU A 42 28.125 4.740 -15.450 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.099 6.234 -15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.653 5.379 -17.315 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.202 7.087 -17.098 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.381 6.837 -14.161 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.487 7.719 -15.422 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.667 6.465 -14.461 1.00 0.00 H new ATOM 640 N ALA A 43 24.387 4.194 -18.456 1.00 0.00 N ATOM 641 CA ALA A 43 23.339 4.287 -19.456 1.00 0.00 C ATOM 642 C ALA A 43 21.975 3.933 -18.856 1.00 0.00 C ATOM 643 O ALA A 43 20.960 4.492 -19.264 1.00 0.00 O ATOM 644 CB ALA A 43 23.678 3.344 -20.610 1.00 0.00 C ATOM 0 H ALA A 43 24.988 3.375 -18.550 1.00 0.00 H new ATOM 0 HA ALA A 43 23.279 5.312 -19.822 1.00 0.00 H new ATOM 0 HB1 ALA A 43 22.898 3.403 -21.369 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.634 3.633 -21.047 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.744 2.322 -20.237 1.00 0.00 H new ATOM 650 N ARG A 44 21.945 3.009 -17.888 1.00 0.00 N ATOM 651 CA ARG A 44 20.693 2.563 -17.285 1.00 0.00 C ATOM 652 C ARG A 44 20.193 3.516 -16.209 1.00 0.00 C ATOM 653 O ARG A 44 18.985 3.689 -16.070 1.00 0.00 O ATOM 654 CB ARG A 44 20.866 1.146 -16.726 1.00 0.00 C ATOM 655 CG ARG A 44 20.879 0.117 -17.864 1.00 0.00 C ATOM 656 CD ARG A 44 19.506 0.046 -18.534 1.00 0.00 C ATOM 657 NE ARG A 44 19.494 -0.965 -19.601 1.00 0.00 N ATOM 658 CZ ARG A 44 19.015 -0.748 -20.831 1.00 0.00 C ATOM 659 NH1 ARG A 44 18.496 0.430 -21.170 1.00 0.00 N ATOM 660 NH2 ARG A 44 19.059 -1.726 -21.731 1.00 0.00 N ATOM 0 H ARG A 44 22.777 2.558 -17.508 1.00 0.00 H new ATOM 0 HA ARG A 44 19.932 2.554 -18.065 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.796 1.083 -16.160 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.055 0.921 -16.033 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.636 0.388 -18.600 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.151 -0.863 -17.473 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.746 -0.195 -17.791 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.248 1.021 -18.948 1.00 0.00 H new ATOM 0 HE ARG A 44 19.874 -1.888 -19.391 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.459 1.186 -20.487 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.136 0.576 -22.113 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.455 -2.632 -21.481 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.696 -1.570 -22.672 1.00 0.00 H new ATOM 674 N VAL A 45 21.093 4.146 -15.447 1.00 0.00 N ATOM 675 CA VAL A 45 20.668 5.147 -14.475 1.00 0.00 C ATOM 676 C VAL A 45 20.265 6.451 -15.164 1.00 0.00 C ATOM 677 O VAL A 45 19.513 7.243 -14.601 1.00 0.00 O ATOM 678 CB VAL A 45 21.723 5.337 -13.379 1.00 0.00 C ATOM 679 CG1 VAL A 45 22.916 6.161 -13.853 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.087 6.044 -12.181 1.00 0.00 C ATOM 0 H VAL A 45 22.099 3.983 -15.485 1.00 0.00 H new ATOM 0 HA VAL A 45 19.772 4.783 -13.972 1.00 0.00 H new ATOM 0 HB VAL A 45 22.086 4.346 -13.106 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.633 6.265 -13.038 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.393 5.659 -14.695 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.575 7.148 -14.165 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.835 6.180 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.706 7.017 -12.493 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.266 5.439 -11.796 1.00 0.00 H new ATOM 690 N GLU A 46 20.765 6.679 -16.384 1.00 0.00 N ATOM 691 CA GLU A 46 20.394 7.842 -17.176 1.00 0.00 C ATOM 692 C GLU A 46 18.984 7.685 -17.753 1.00 0.00 C ATOM 693 O GLU A 46 18.340 8.678 -18.089 1.00 0.00 O ATOM 694 CB GLU A 46 21.443 8.029 -18.278 1.00 0.00 C ATOM 695 CG GLU A 46 21.051 9.086 -19.315 1.00 0.00 C ATOM 696 CD GLU A 46 20.930 10.492 -18.723 1.00 0.00 C ATOM 697 OE1 GLU A 46 20.569 11.406 -19.497 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.199 10.647 -17.509 1.00 0.00 O ATOM 0 H GLU A 46 21.435 6.061 -16.842 1.00 0.00 H new ATOM 0 HA GLU A 46 20.373 8.732 -16.547 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.392 8.312 -17.822 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.603 7.076 -18.783 1.00 0.00 H new ATOM 0 HG2 GLU A 46 21.794 9.097 -20.113 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.100 8.806 -19.769 1.00 0.00 H new ATOM 705 N ASP A 47 18.495 6.447 -17.870 1.00 0.00 N ATOM 706 CA ASP A 47 17.147 6.192 -18.372 1.00 0.00 C ATOM 707 C ASP A 47 16.064 6.707 -17.424 1.00 0.00 C ATOM 708 O ASP A 47 14.912 6.872 -17.826 1.00 0.00 O ATOM 709 CB ASP A 47 16.958 4.696 -18.655 1.00 0.00 C ATOM 710 CG ASP A 47 17.776 4.212 -19.853 1.00 0.00 C ATOM 711 OD1 ASP A 47 17.941 2.976 -19.964 1.00 0.00 O ATOM 712 OD2 ASP A 47 18.227 5.072 -20.644 1.00 0.00 O ATOM 0 H ASP A 47 19.016 5.606 -17.623 1.00 0.00 H new ATOM 0 HA ASP A 47 17.038 6.747 -19.304 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.243 4.125 -17.771 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.902 4.496 -18.837 1.00 0.00 H new ATOM 717 N GLY A 48 16.433 6.967 -16.165 1.00 0.00 N ATOM 718 CA GLY A 48 15.521 7.523 -15.175 1.00 0.00 C ATOM 719 C GLY A 48 14.431 6.528 -14.783 1.00 0.00 C ATOM 720 O GLY A 48 14.438 5.374 -15.211 1.00 0.00 O ATOM 0 H GLY A 48 17.374 6.796 -15.809 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.083 7.815 -14.287 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.061 8.428 -15.573 1.00 0.00 H new ATOM 724 N GLY A 49 13.486 6.987 -13.956 1.00 0.00 N ATOM 725 CA GLY A 49 12.378 6.165 -13.477 1.00 0.00 C ATOM 726 C GLY A 49 12.825 5.186 -12.391 1.00 0.00 C ATOM 727 O GLY A 49 11.992 4.509 -11.789 1.00 0.00 O ATOM 0 H GLY A 49 13.471 7.943 -13.601 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.591 6.809 -13.084 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.949 5.611 -14.312 1.00 0.00 H new ATOM 731 N ILE A 50 14.133 5.110 -12.134 1.00 0.00 N ATOM 732 CA ILE A 50 14.693 4.230 -11.117 1.00 0.00 C ATOM 733 C ILE A 50 14.667 4.924 -9.759 1.00 0.00 C ATOM 734 O ILE A 50 14.872 6.135 -9.673 1.00 0.00 O ATOM 735 CB ILE A 50 16.115 3.823 -11.524 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.055 2.993 -12.811 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.785 3.009 -10.420 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.440 2.850 -13.441 1.00 0.00 C ATOM 0 H ILE A 50 14.833 5.662 -12.630 1.00 0.00 H new ATOM 0 HA ILE A 50 14.093 3.324 -11.034 1.00 0.00 H new ATOM 0 HB ILE A 50 16.703 4.726 -11.690 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.649 2.006 -12.592 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.377 3.466 -13.521 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.792 2.732 -10.732 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.838 3.606 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.204 2.107 -10.229 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.366 2.256 -14.352 1.00 0.00 H new ATOM 0 HD12 ILE A 50 17.834 3.837 -13.682 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.110 2.354 -12.739 1.00 0.00 H new ATOM 750 N ASP A 51 14.412 4.154 -8.698 1.00 0.00 N ATOM 751 CA ASP A 51 14.268 4.692 -7.354 1.00 0.00 C ATOM 752 C ASP A 51 15.436 4.326 -6.436 1.00 0.00 C ATOM 753 O ASP A 51 15.582 4.916 -5.368 1.00 0.00 O ATOM 754 CB ASP A 51 12.938 4.229 -6.762 1.00 0.00 C ATOM 755 CG ASP A 51 11.733 4.819 -7.495 1.00 0.00 C ATOM 756 OD1 ASP A 51 11.918 5.826 -8.214 1.00 0.00 O ATOM 757 OD2 ASP A 51 10.632 4.250 -7.328 1.00 0.00 O ATOM 0 H ASP A 51 14.301 3.142 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 51 14.278 5.779 -7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.886 3.141 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.894 4.513 -5.710 1.00 0.00 H new ATOM 762 N ALA A 52 16.264 3.356 -6.842 1.00 0.00 N ATOM 763 CA ALA A 52 17.474 2.983 -6.120 1.00 0.00 C ATOM 764 C ALA A 52 18.347 2.097 -7.011 1.00 0.00 C ATOM 765 O ALA A 52 17.902 1.640 -8.061 1.00 0.00 O ATOM 766 CB ALA A 52 17.109 2.239 -4.834 1.00 0.00 C ATOM 0 H ALA A 52 16.107 2.807 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 52 18.028 3.884 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.020 1.964 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.499 2.884 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.548 1.338 -5.082 1.00 0.00 H new ATOM 772 N ALA A 53 19.592 1.850 -6.596 1.00 0.00 N ATOM 773 CA ALA A 53 20.489 0.978 -7.346 1.00 0.00 C ATOM 774 C ALA A 53 21.453 0.248 -6.411 1.00 0.00 C ATOM 775 O ALA A 53 21.559 0.589 -5.232 1.00 0.00 O ATOM 776 CB ALA A 53 21.251 1.801 -8.387 1.00 0.00 C ATOM 0 H ALA A 53 19.998 2.242 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 53 19.897 0.220 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.921 1.149 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.543 2.267 -9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.833 2.574 -7.885 1.00 0.00 H new ATOM 782 N ILE A 54 22.155 -0.759 -6.941 1.00 0.00 N ATOM 783 CA ILE A 54 23.122 -1.544 -6.183 1.00 0.00 C ATOM 784 C ILE A 54 24.414 -1.659 -6.993 1.00 0.00 C ATOM 785 O ILE A 54 24.357 -1.767 -8.216 1.00 0.00 O ATOM 786 CB ILE A 54 22.540 -2.926 -5.858 1.00 0.00 C ATOM 787 CG1 ILE A 54 21.121 -2.780 -5.285 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.461 -3.649 -4.869 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.532 -4.128 -4.868 1.00 0.00 C ATOM 0 H ILE A 54 22.064 -1.050 -7.914 1.00 0.00 H new ATOM 0 HA ILE A 54 23.345 -1.050 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 54 22.475 -3.519 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.144 -2.112 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.475 -2.317 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 54 23.048 -4.631 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.450 -3.767 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.541 -3.064 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.529 -3.979 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.483 -4.787 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.163 -4.580 -4.103 1.00 0.00 H new ATOM 801 N LEU A 55 25.573 -1.636 -6.324 1.00 0.00 N ATOM 802 CA LEU A 55 26.860 -1.604 -7.011 1.00 0.00 C ATOM 803 C LEU A 55 27.908 -2.473 -6.323 1.00 0.00 C ATOM 804 O LEU A 55 28.190 -2.296 -5.141 1.00 0.00 O ATOM 805 CB LEU A 55 27.343 -0.151 -7.075 1.00 0.00 C ATOM 806 CG LEU A 55 28.703 -0.036 -7.769 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.597 -0.446 -9.237 1.00 0.00 C ATOM 808 CD2 LEU A 55 29.170 1.413 -7.693 1.00 0.00 C ATOM 0 H LEU A 55 25.641 -1.639 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 55 26.723 -2.010 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.610 0.453 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.414 0.254 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 55 29.412 -0.697 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.574 -0.357 -9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.255 -1.479 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.886 0.205 -9.746 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.138 1.509 -8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.445 2.056 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.261 1.712 -6.649 1.00 0.00 H new ATOM 820 N ASP A 56 28.489 -3.412 -7.068 1.00 0.00 N ATOM 821 CA ASP A 56 29.603 -4.216 -6.591 1.00 0.00 C ATOM 822 C ASP A 56 30.872 -3.372 -6.650 1.00 0.00 C ATOM 823 O ASP A 56 31.079 -2.630 -7.609 1.00 0.00 O ATOM 824 CB ASP A 56 29.700 -5.472 -7.464 1.00 0.00 C ATOM 825 CG ASP A 56 30.756 -6.473 -6.987 1.00 0.00 C ATOM 826 OD1 ASP A 56 30.809 -7.562 -7.597 1.00 0.00 O ATOM 827 OD2 ASP A 56 31.491 -6.144 -6.031 1.00 0.00 O ATOM 0 H ASP A 56 28.197 -3.634 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 56 29.460 -4.532 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.728 -5.965 -7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 56 29.929 -5.176 -8.488 1.00 0.00 H new ATOM 832 N VAL A 57 31.726 -3.480 -5.627 1.00 0.00 N ATOM 833 CA VAL A 57 32.936 -2.675 -5.530 1.00 0.00 C ATOM 834 C VAL A 57 33.878 -2.976 -6.697 1.00 0.00 C ATOM 835 O VAL A 57 34.634 -2.105 -7.115 1.00 0.00 O ATOM 836 CB VAL A 57 33.629 -2.960 -4.195 1.00 0.00 C ATOM 837 CG1 VAL A 57 34.929 -2.168 -4.069 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.705 -2.582 -3.038 1.00 0.00 C ATOM 0 H VAL A 57 31.594 -4.126 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 57 32.668 -1.620 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 57 33.860 -4.025 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.399 -2.390 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.604 -2.446 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.712 -1.101 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.205 -2.787 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.463 -1.521 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.788 -3.168 -3.099 1.00 0.00 H new ATOM 848 N ASN A 58 33.829 -4.204 -7.226 1.00 0.00 N ATOM 849 CA ASN A 58 34.654 -4.600 -8.355 1.00 0.00 C ATOM 850 C ASN A 58 33.790 -5.269 -9.422 1.00 0.00 C ATOM 851 O ASN A 58 33.173 -6.300 -9.174 1.00 0.00 O ATOM 852 CB ASN A 58 35.770 -5.541 -7.888 1.00 0.00 C ATOM 853 CG ASN A 58 36.657 -4.900 -6.826 1.00 0.00 C ATOM 854 OD1 ASN A 58 37.077 -3.754 -6.962 1.00 0.00 O ATOM 855 ND2 ASN A 58 36.951 -5.640 -5.758 1.00 0.00 N ATOM 0 H ASN A 58 33.217 -4.943 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 58 35.115 -3.713 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 58 35.329 -6.454 -7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.381 -5.830 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.543 -5.258 -5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.584 -6.589 -5.678 1.00 0.00 H new ATOM 862 N LEU A 59 33.753 -4.670 -10.614 1.00 0.00 N ATOM 863 CA LEU A 59 33.030 -5.211 -11.754 1.00 0.00 C ATOM 864 C LEU A 59 33.960 -6.129 -12.545 1.00 0.00 C ATOM 865 O LEU A 59 35.053 -6.452 -12.079 1.00 0.00 O ATOM 866 CB LEU A 59 32.516 -4.045 -12.612 1.00 0.00 C ATOM 867 CG LEU A 59 31.111 -3.611 -12.170 1.00 0.00 C ATOM 868 CD1 LEU A 59 31.040 -3.343 -10.669 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.740 -2.331 -12.909 1.00 0.00 C ATOM 0 H LEU A 59 34.229 -3.790 -10.811 1.00 0.00 H new ATOM 0 HA LEU A 59 32.173 -5.800 -11.429 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.202 -3.202 -12.534 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.495 -4.342 -13.660 1.00 0.00 H new ATOM 0 HG LEU A 59 30.420 -4.421 -12.403 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.028 -3.039 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.302 -4.250 -10.125 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.739 -2.548 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.744 -2.011 -12.605 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.461 -1.550 -12.669 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.749 -2.515 -13.983 1.00 0.00 H new ATOM 881 N ARG A 60 33.535 -6.549 -13.741 1.00 0.00 N ATOM 882 CA ARG A 60 34.334 -7.428 -14.583 1.00 0.00 C ATOM 883 C ARG A 60 35.726 -6.847 -14.800 1.00 0.00 C ATOM 884 O ARG A 60 35.889 -5.633 -14.916 1.00 0.00 O ATOM 885 CB ARG A 60 33.619 -7.685 -15.908 1.00 0.00 C ATOM 886 CG ARG A 60 32.411 -8.576 -15.648 1.00 0.00 C ATOM 887 CD ARG A 60 31.653 -8.848 -16.943 1.00 0.00 C ATOM 888 NE ARG A 60 32.444 -9.658 -17.875 1.00 0.00 N ATOM 889 CZ ARG A 60 32.564 -10.988 -17.790 1.00 0.00 C ATOM 890 NH1 ARG A 60 31.957 -11.663 -16.815 1.00 0.00 N ATOM 891 NH2 ARG A 60 33.294 -11.642 -18.687 1.00 0.00 N ATOM 0 H ARG A 60 32.635 -6.289 -14.145 1.00 0.00 H new ATOM 0 HA ARG A 60 34.455 -8.386 -14.077 1.00 0.00 H new ATOM 0 HB2 ARG A 60 33.304 -6.743 -16.356 1.00 0.00 H new ATOM 0 HB3 ARG A 60 34.296 -8.164 -16.616 1.00 0.00 H new ATOM 0 HG2 ARG A 60 32.736 -9.518 -15.206 1.00 0.00 H new ATOM 0 HG3 ARG A 60 31.749 -8.098 -14.927 1.00 0.00 H new ATOM 0 HD2 ARG A 60 30.719 -9.362 -16.717 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.390 -7.902 -17.416 1.00 0.00 H new ATOM 0 HE ARG A 60 32.931 -9.179 -18.633 1.00 0.00 H new ATOM 0 HH11 ARG A 60 31.394 -11.166 -16.124 1.00 0.00 H new ATOM 0 HH12 ARG A 60 32.055 -12.677 -16.759 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.760 -11.130 -19.436 1.00 0.00 H new ATOM 0 HH22 ARG A 60 33.388 -12.656 -18.626 1.00 0.00 H new ATOM 905 N GLY A 61 36.728 -7.726 -14.851 1.00 0.00 N ATOM 906 CA GLY A 61 38.125 -7.325 -14.920 1.00 0.00 C ATOM 907 C GLY A 61 38.696 -7.065 -13.522 1.00 0.00 C ATOM 908 O GLY A 61 39.897 -6.846 -13.380 1.00 0.00 O ATOM 0 H GLY A 61 36.589 -8.736 -14.845 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.706 -8.104 -15.414 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.218 -6.425 -15.527 1.00 0.00 H new ATOM 912 N GLY A 62 37.835 -7.095 -12.496 1.00 0.00 N ATOM 913 CA GLY A 62 38.243 -6.932 -11.105 1.00 0.00 C ATOM 914 C GLY A 62 38.602 -5.484 -10.770 1.00 0.00 C ATOM 915 O GLY A 62 39.020 -5.202 -9.647 1.00 0.00 O ATOM 0 H GLY A 62 36.831 -7.234 -12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.437 -7.264 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.102 -7.573 -10.903 1.00 0.00 H new ATOM 919 N GLU A 63 38.445 -4.565 -11.727 1.00 0.00 N ATOM 920 CA GLU A 63 38.752 -3.160 -11.511 1.00 0.00 C ATOM 921 C GLU A 63 37.700 -2.518 -10.603 1.00 0.00 C ATOM 922 O GLU A 63 36.527 -2.893 -10.651 1.00 0.00 O ATOM 923 CB GLU A 63 38.845 -2.453 -12.870 1.00 0.00 C ATOM 924 CG GLU A 63 39.065 -0.939 -12.744 1.00 0.00 C ATOM 925 CD GLU A 63 40.380 -0.578 -12.047 1.00 0.00 C ATOM 926 OE1 GLU A 63 41.177 -1.503 -11.773 1.00 0.00 O ATOM 927 OE2 GLU A 63 40.577 0.634 -11.798 1.00 0.00 O ATOM 0 H GLU A 63 38.104 -4.778 -12.664 1.00 0.00 H new ATOM 0 HA GLU A 63 39.713 -3.061 -11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.664 -2.887 -13.444 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.929 -2.636 -13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 63 39.053 -0.492 -13.738 1.00 0.00 H new ATOM 0 HG3 GLU A 63 38.235 -0.502 -12.189 1.00 0.00 H new ATOM 934 N LYS A 64 38.121 -1.552 -9.777 1.00 0.00 N ATOM 935 CA LYS A 64 37.223 -0.860 -8.856 1.00 0.00 C ATOM 936 C LYS A 64 36.168 -0.088 -9.638 1.00 0.00 C ATOM 937 O LYS A 64 36.374 0.247 -10.805 1.00 0.00 O ATOM 938 CB LYS A 64 38.034 0.086 -7.964 1.00 0.00 C ATOM 939 CG LYS A 64 38.585 1.259 -8.774 1.00 0.00 C ATOM 940 CD LYS A 64 39.567 2.071 -7.927 1.00 0.00 C ATOM 941 CE LYS A 64 40.188 3.190 -8.765 1.00 0.00 C ATOM 942 NZ LYS A 64 41.037 2.649 -9.845 1.00 0.00 N ATOM 0 H LYS A 64 39.089 -1.233 -9.731 1.00 0.00 H new ATOM 0 HA LYS A 64 36.716 -1.590 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 64 37.405 0.460 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.856 -0.460 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.085 0.889 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 64 37.766 1.897 -9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 64 39.051 2.495 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 64 40.350 1.419 -7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 64 39.398 3.805 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.783 3.839 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 41.587 3.421 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 41.686 1.938 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 40.437 2.207 -10.570 1.00 0.00 H new ATOM 956 N SER A 65 35.031 0.203 -9.001 1.00 0.00 N ATOM 957 CA SER A 65 33.961 0.935 -9.654 1.00 0.00 C ATOM 958 C SER A 65 33.255 1.878 -8.688 1.00 0.00 C ATOM 959 O SER A 65 32.578 1.442 -7.760 1.00 0.00 O ATOM 960 CB SER A 65 32.960 -0.051 -10.254 1.00 0.00 C ATOM 961 OG SER A 65 33.542 -0.711 -11.362 1.00 0.00 O ATOM 0 H SER A 65 34.835 -0.060 -8.035 1.00 0.00 H new ATOM 0 HA SER A 65 34.398 1.543 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.659 -0.780 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 65 32.058 0.476 -10.566 1.00 0.00 H new ATOM 0 HG SER A 65 33.228 -0.295 -12.192 1.00 0.00 H new ATOM 967 N THR A 66 33.423 3.183 -8.920 1.00 0.00 N ATOM 968 CA THR A 66 32.653 4.226 -8.250 1.00 0.00 C ATOM 969 C THR A 66 32.064 5.311 -9.164 1.00 0.00 C ATOM 970 O THR A 66 31.537 6.294 -8.644 1.00 0.00 O ATOM 971 CB THR A 66 33.455 4.857 -7.105 1.00 0.00 C ATOM 972 OG1 THR A 66 34.273 5.884 -7.616 1.00 0.00 O ATOM 973 CG2 THR A 66 34.332 3.843 -6.374 1.00 0.00 C ATOM 0 H THR A 66 34.105 3.545 -9.586 1.00 0.00 H new ATOM 0 HA THR A 66 31.785 3.702 -7.850 1.00 0.00 H new ATOM 0 HB THR A 66 32.736 5.251 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.785 6.289 -6.885 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.877 4.344 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.705 3.058 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 66 35.041 3.402 -7.075 1.00 0.00 H new ATOM 981 N PRO A 67 32.121 5.188 -10.503 1.00 0.00 N ATOM 982 CA PRO A 67 31.691 6.259 -11.385 1.00 0.00 C ATOM 983 C PRO A 67 30.181 6.441 -11.298 1.00 0.00 C ATOM 984 O PRO A 67 29.677 7.539 -11.530 1.00 0.00 O ATOM 985 CB PRO A 67 32.110 5.834 -12.793 1.00 0.00 C ATOM 986 CG PRO A 67 32.156 4.313 -12.715 1.00 0.00 C ATOM 987 CD PRO A 67 32.576 4.045 -11.274 1.00 0.00 C ATOM 0 HA PRO A 67 32.140 7.214 -11.112 1.00 0.00 H new ATOM 0 HB2 PRO A 67 31.396 6.175 -13.543 1.00 0.00 H new ATOM 0 HB3 PRO A 67 33.080 6.250 -13.064 1.00 0.00 H new ATOM 0 HG2 PRO A 67 31.186 3.870 -12.940 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.869 3.896 -13.426 1.00 0.00 H new ATOM 0 HD2 PRO A 67 32.130 3.122 -10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.657 3.929 -11.198 1.00 0.00 H new ATOM 995 N VAL A 68 29.455 5.369 -10.962 1.00 0.00 N ATOM 996 CA VAL A 68 28.009 5.431 -10.836 1.00 0.00 C ATOM 997 C VAL A 68 27.552 5.764 -9.424 1.00 0.00 C ATOM 998 O VAL A 68 26.556 6.454 -9.257 1.00 0.00 O ATOM 999 CB VAL A 68 27.364 4.138 -11.340 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.995 3.717 -12.664 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.513 2.992 -10.346 1.00 0.00 C ATOM 0 H VAL A 68 29.854 4.449 -10.774 1.00 0.00 H new ATOM 0 HA VAL A 68 27.673 6.254 -11.467 1.00 0.00 H new ATOM 0 HB VAL A 68 26.302 4.346 -11.470 1.00 0.00 H new ATOM 0 HG11 VAL A 68 27.528 2.796 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 68 27.845 4.503 -13.404 1.00 0.00 H new ATOM 0 HG13 VAL A 68 29.063 3.551 -12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 68 27.039 2.097 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.571 2.796 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 68 27.035 3.263 -9.404 1.00 0.00 H new ATOM 1011 N ALA A 69 28.261 5.289 -8.398 1.00 0.00 N ATOM 1012 CA ALA A 69 27.856 5.553 -7.026 1.00 0.00 C ATOM 1013 C ALA A 69 27.928 7.048 -6.731 1.00 0.00 C ATOM 1014 O ALA A 69 27.181 7.558 -5.898 1.00 0.00 O ATOM 1015 CB ALA A 69 28.761 4.763 -6.089 1.00 0.00 C ATOM 0 H ALA A 69 29.107 4.727 -8.494 1.00 0.00 H new ATOM 0 HA ALA A 69 26.823 5.239 -6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.469 4.952 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.667 3.699 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.796 5.073 -6.235 1.00 0.00 H new ATOM 1021 N GLU A 70 28.830 7.746 -7.422 1.00 0.00 N ATOM 1022 CA GLU A 70 28.933 9.191 -7.331 1.00 0.00 C ATOM 1023 C GLU A 70 27.821 9.854 -8.143 1.00 0.00 C ATOM 1024 O GLU A 70 27.406 10.972 -7.836 1.00 0.00 O ATOM 1025 CB GLU A 70 30.309 9.623 -7.847 1.00 0.00 C ATOM 1026 CG GLU A 70 31.418 9.151 -6.901 1.00 0.00 C ATOM 1027 CD GLU A 70 31.449 9.947 -5.594 1.00 0.00 C ATOM 1028 OE1 GLU A 70 30.691 10.938 -5.490 1.00 0.00 O ATOM 1029 OE2 GLU A 70 32.236 9.550 -4.706 1.00 0.00 O ATOM 0 H GLU A 70 29.505 7.321 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 70 28.822 9.503 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.475 9.211 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 70 30.343 10.708 -7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 70 31.274 8.094 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.382 9.242 -7.402 1.00 0.00 H new ATOM 1036 N ALA A 71 27.336 9.165 -9.182 1.00 0.00 N ATOM 1037 CA ALA A 71 26.256 9.660 -10.019 1.00 0.00 C ATOM 1038 C ALA A 71 24.899 9.434 -9.347 1.00 0.00 C ATOM 1039 O ALA A 71 23.994 10.242 -9.512 1.00 0.00 O ATOM 1040 CB ALA A 71 26.305 8.960 -11.379 1.00 0.00 C ATOM 0 H ALA A 71 27.687 8.248 -9.460 1.00 0.00 H new ATOM 0 HA ALA A 71 26.382 10.733 -10.162 1.00 0.00 H new ATOM 0 HB1 ALA A 71 25.495 9.330 -12.008 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.261 9.166 -11.860 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.193 7.885 -11.239 1.00 0.00 H new ATOM 1046 N LEU A 72 24.748 8.343 -8.585 1.00 0.00 N ATOM 1047 CA LEU A 72 23.515 8.098 -7.853 1.00 0.00 C ATOM 1048 C LEU A 72 23.378 9.160 -6.765 1.00 0.00 C ATOM 1049 O LEU A 72 22.272 9.618 -6.485 1.00 0.00 O ATOM 1050 CB LEU A 72 23.548 6.692 -7.228 1.00 0.00 C ATOM 1051 CG LEU A 72 22.980 5.589 -8.137 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.477 5.778 -8.352 1.00 0.00 C ATOM 1053 CD2 LEU A 72 23.668 5.513 -9.497 1.00 0.00 C ATOM 0 H LEU A 72 25.463 7.625 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 72 22.661 8.152 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.578 6.443 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.983 6.707 -6.296 1.00 0.00 H new ATOM 0 HG LEU A 72 23.172 4.652 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 72 21.099 4.985 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 72 20.964 5.738 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 72 21.295 6.745 -8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.219 4.714 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 72 23.548 6.462 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 72 24.729 5.308 -9.357 1.00 0.00 H new ATOM 1065 N ALA A 73 24.500 9.555 -6.155 1.00 0.00 N ATOM 1066 CA ALA A 73 24.496 10.581 -5.126 1.00 0.00 C ATOM 1067 C ALA A 73 24.218 11.960 -5.731 1.00 0.00 C ATOM 1068 O ALA A 73 23.681 12.834 -5.051 1.00 0.00 O ATOM 1069 CB ALA A 73 25.855 10.571 -4.422 1.00 0.00 C ATOM 0 H ALA A 73 25.423 9.173 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 73 23.704 10.371 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.868 11.336 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.024 9.593 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.642 10.776 -5.148 1.00 0.00 H new ATOM 1075 N ALA A 74 24.580 12.157 -7.005 1.00 0.00 N ATOM 1076 CA ALA A 74 24.336 13.417 -7.688 1.00 0.00 C ATOM 1077 C ALA A 74 22.858 13.547 -8.061 1.00 0.00 C ATOM 1078 O ALA A 74 22.334 14.656 -8.147 1.00 0.00 O ATOM 1079 CB ALA A 74 25.209 13.480 -8.943 1.00 0.00 C ATOM 0 H ALA A 74 25.044 11.452 -7.578 1.00 0.00 H new ATOM 0 HA ALA A 74 24.590 14.244 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 74 25.033 14.422 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.259 13.413 -8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.958 12.650 -9.603 1.00 0.00 H new ATOM 1085 N ARG A 75 22.193 12.412 -8.279 1.00 0.00 N ATOM 1086 CA ARG A 75 20.769 12.369 -8.600 1.00 0.00 C ATOM 1087 C ARG A 75 19.927 12.264 -7.327 1.00 0.00 C ATOM 1088 O ARG A 75 18.705 12.161 -7.398 1.00 0.00 O ATOM 1089 CB ARG A 75 20.499 11.193 -9.541 1.00 0.00 C ATOM 1090 CG ARG A 75 21.289 11.347 -10.843 1.00 0.00 C ATOM 1091 CD ARG A 75 21.226 10.045 -11.646 1.00 0.00 C ATOM 1092 NE ARG A 75 22.084 10.115 -12.835 1.00 0.00 N ATOM 1093 CZ ARG A 75 21.632 10.341 -14.076 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.337 10.524 -14.311 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.489 10.381 -15.090 1.00 0.00 N ATOM 0 H ARG A 75 22.631 11.492 -8.237 1.00 0.00 H new ATOM 0 HA ARG A 75 20.485 13.294 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.774 10.259 -9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.433 11.135 -9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.880 12.168 -11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.326 11.599 -10.622 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.538 9.211 -11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.197 9.849 -11.947 1.00 0.00 H new ATOM 0 HE ARG A 75 23.088 9.983 -12.709 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.670 10.494 -13.540 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.010 10.695 -15.262 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.485 10.240 -14.922 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.151 10.553 -16.037 1.00 0.00 H new ATOM 1109 N ASP A 76 20.591 12.282 -6.165 1.00 0.00 N ATOM 1110 CA ASP A 76 19.960 12.134 -4.855 1.00 0.00 C ATOM 1111 C ASP A 76 19.196 10.802 -4.755 1.00 0.00 C ATOM 1112 O ASP A 76 18.314 10.644 -3.914 1.00 0.00 O ATOM 1113 CB ASP A 76 19.084 13.353 -4.557 1.00 0.00 C ATOM 1114 CG ASP A 76 18.506 13.338 -3.141 1.00 0.00 C ATOM 1115 OD1 ASP A 76 17.411 13.918 -2.969 1.00 0.00 O ATOM 1116 OD2 ASP A 76 19.161 12.751 -2.249 1.00 0.00 O ATOM 0 H ASP A 76 21.602 12.403 -6.112 1.00 0.00 H new ATOM 0 HA ASP A 76 20.731 12.095 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.673 14.260 -4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.267 13.392 -5.277 1.00 0.00 H new ATOM 1121 N ILE A 77 19.537 9.841 -5.621 1.00 0.00 N ATOM 1122 CA ILE A 77 18.943 8.512 -5.588 1.00 0.00 C ATOM 1123 C ILE A 77 19.717 7.631 -4.598 1.00 0.00 C ATOM 1124 O ILE A 77 20.947 7.667 -4.589 1.00 0.00 O ATOM 1125 CB ILE A 77 18.975 7.894 -6.993 1.00 0.00 C ATOM 1126 CG1 ILE A 77 18.341 8.859 -8.003 1.00 0.00 C ATOM 1127 CG2 ILE A 77 18.231 6.556 -6.987 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.265 8.253 -9.405 1.00 0.00 C ATOM 0 H ILE A 77 20.230 9.968 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 77 17.905 8.583 -5.262 1.00 0.00 H new ATOM 0 HB ILE A 77 20.010 7.717 -7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.339 9.126 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.922 9.781 -8.038 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.256 6.121 -7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 77 18.711 5.876 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 77 17.195 6.717 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 77 17.809 8.971 -10.087 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.270 8.010 -9.751 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.662 7.346 -9.377 1.00 0.00 H new ATOM 1140 N PRO A 78 19.027 6.841 -3.763 1.00 0.00 N ATOM 1141 CA PRO A 78 19.649 5.909 -2.837 1.00 0.00 C ATOM 1142 C PRO A 78 20.473 4.847 -3.561 1.00 0.00 C ATOM 1143 O PRO A 78 20.218 4.538 -4.726 1.00 0.00 O ATOM 1144 CB PRO A 78 18.500 5.263 -2.055 1.00 0.00 C ATOM 1145 CG PRO A 78 17.308 6.192 -2.281 1.00 0.00 C ATOM 1146 CD PRO A 78 17.589 6.820 -3.637 1.00 0.00 C ATOM 0 HA PRO A 78 20.346 6.429 -2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.292 4.256 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.741 5.178 -0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.367 5.642 -2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.235 6.947 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.133 6.240 -4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 78 17.175 7.827 -3.696 1.00 0.00 H new ATOM 1154 N PHE A 79 21.470 4.282 -2.868 1.00 0.00 N ATOM 1155 CA PHE A 79 22.321 3.244 -3.432 1.00 0.00 C ATOM 1156 C PHE A 79 22.851 2.272 -2.375 1.00 0.00 C ATOM 1157 O PHE A 79 23.112 2.664 -1.241 1.00 0.00 O ATOM 1158 CB PHE A 79 23.464 3.872 -4.241 1.00 0.00 C ATOM 1159 CG PHE A 79 24.250 4.928 -3.494 1.00 0.00 C ATOM 1160 CD1 PHE A 79 25.430 4.579 -2.819 1.00 0.00 C ATOM 1161 CD2 PHE A 79 23.808 6.258 -3.480 1.00 0.00 C ATOM 1162 CE1 PHE A 79 26.162 5.559 -2.132 1.00 0.00 C ATOM 1163 CE2 PHE A 79 24.539 7.236 -2.789 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.717 6.888 -2.116 1.00 0.00 C ATOM 0 H PHE A 79 21.703 4.534 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 79 21.703 2.649 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 79 24.147 3.083 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 79 23.051 4.316 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 79 25.775 3.556 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 79 22.903 6.531 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 79 27.070 5.289 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 79 24.193 8.259 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.281 7.642 -1.586 1.00 0.00 H new ATOM 1174 N VAL A 80 23.012 1.000 -2.755 1.00 0.00 N ATOM 1175 CA VAL A 80 23.617 -0.021 -1.900 1.00 0.00 C ATOM 1176 C VAL A 80 24.900 -0.519 -2.545 1.00 0.00 C ATOM 1177 O VAL A 80 25.026 -0.496 -3.768 1.00 0.00 O ATOM 1178 CB VAL A 80 22.648 -1.198 -1.672 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.246 -2.225 -0.718 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.334 -0.754 -1.058 1.00 0.00 C ATOM 0 H VAL A 80 22.724 0.650 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 80 23.840 0.422 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 80 22.475 -1.626 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.541 -3.044 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.174 -2.614 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.452 -1.753 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.687 -1.620 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.524 -0.283 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.846 -0.040 -1.721 1.00 0.00 H new ATOM 1190 N PHE A 81 25.854 -0.977 -1.737 1.00 0.00 N ATOM 1191 CA PHE A 81 27.034 -1.654 -2.252 1.00 0.00 C ATOM 1192 C PHE A 81 26.959 -3.176 -2.145 1.00 0.00 C ATOM 1193 O PHE A 81 26.207 -3.705 -1.331 1.00 0.00 O ATOM 1194 CB PHE A 81 28.313 -1.082 -1.651 1.00 0.00 C ATOM 1195 CG PHE A 81 28.758 0.207 -2.300 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.329 1.439 -1.782 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.595 0.176 -3.421 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.752 2.632 -2.376 1.00 0.00 C ATOM 1199 CE2 PHE A 81 30.033 1.374 -4.005 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.615 2.603 -3.481 1.00 0.00 C ATOM 0 H PHE A 81 25.829 -0.889 -0.721 1.00 0.00 H new ATOM 0 HA PHE A 81 27.062 -1.450 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.159 -0.909 -0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.110 -1.820 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.672 1.465 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.904 -0.771 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.413 3.579 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.693 1.348 -4.859 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.956 3.526 -3.926 1.00 0.00 H new ATOM 1210 N ALA A 82 27.737 -3.877 -2.963 1.00 0.00 N ATOM 1211 CA ALA A 82 27.823 -5.325 -2.901 1.00 0.00 C ATOM 1212 C ALA A 82 29.282 -5.731 -2.739 1.00 0.00 C ATOM 1213 O ALA A 82 30.160 -5.166 -3.388 1.00 0.00 O ATOM 1214 CB ALA A 82 27.187 -5.939 -4.148 1.00 0.00 C ATOM 0 H ALA A 82 28.323 -3.456 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 82 27.271 -5.702 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.256 -7.026 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.139 -5.644 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.712 -5.586 -5.036 1.00 0.00 H new ATOM 1220 N THR A 83 29.533 -6.711 -1.871 1.00 0.00 N ATOM 1221 CA THR A 83 30.887 -7.139 -1.539 1.00 0.00 C ATOM 1222 C THR A 83 30.953 -8.651 -1.342 1.00 0.00 C ATOM 1223 O THR A 83 29.937 -9.341 -1.425 1.00 0.00 O ATOM 1224 CB THR A 83 31.383 -6.396 -0.292 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.632 -6.791 0.833 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.277 -4.887 -0.457 1.00 0.00 C ATOM 0 H THR A 83 28.803 -7.228 -1.380 1.00 0.00 H new ATOM 0 HA THR A 83 31.543 -6.890 -2.373 1.00 0.00 H new ATOM 0 HB THR A 83 32.433 -6.653 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.955 -6.314 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.638 -4.396 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 83 31.881 -4.571 -1.307 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.236 -4.612 -0.629 1.00 0.00 H new ATOM 1234 N GLY A 84 32.158 -9.164 -1.081 1.00 0.00 N ATOM 1235 CA GLY A 84 32.391 -10.588 -0.899 1.00 0.00 C ATOM 1236 C GLY A 84 33.527 -10.820 0.090 1.00 0.00 C ATOM 1237 O GLY A 84 33.778 -9.984 0.958 1.00 0.00 O ATOM 0 H GLY A 84 33.000 -8.595 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.482 -11.068 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.635 -11.048 -1.857 1.00 0.00 H new ATOM 1241 N GLY A 85 34.213 -11.960 -0.041 1.00 0.00 N ATOM 1242 CA GLY A 85 35.313 -12.317 0.847 1.00 0.00 C ATOM 1243 C GLY A 85 36.574 -11.491 0.573 1.00 0.00 C ATOM 1244 O GLY A 85 37.518 -11.538 1.358 1.00 0.00 O ATOM 0 H GLY A 85 34.019 -12.654 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 85 35.004 -12.171 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.543 -13.376 0.730 1.00 0.00 H new ATOM 1248 N SER A 86 36.591 -10.738 -0.533 1.00 0.00 N ATOM 1249 CA SER A 86 37.729 -9.898 -0.897 1.00 0.00 C ATOM 1250 C SER A 86 37.278 -8.605 -1.576 1.00 0.00 C ATOM 1251 O SER A 86 38.069 -7.679 -1.723 1.00 0.00 O ATOM 1252 CB SER A 86 38.663 -10.676 -1.830 1.00 0.00 C ATOM 1253 OG SER A 86 39.193 -11.808 -1.169 1.00 0.00 O ATOM 0 H SER A 86 35.817 -10.696 -1.196 1.00 0.00 H new ATOM 0 HA SER A 86 38.258 -9.629 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 86 38.118 -10.990 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.475 -10.029 -2.164 1.00 0.00 H new ATOM 0 HG SER A 86 39.786 -12.295 -1.779 1.00 0.00 H new ATOM 1259 N ASP A 87 36.008 -8.545 -1.989 1.00 0.00 N ATOM 1260 CA ASP A 87 35.436 -7.347 -2.589 1.00 0.00 C ATOM 1261 C ASP A 87 34.931 -6.345 -1.547 1.00 0.00 C ATOM 1262 O ASP A 87 34.331 -5.329 -1.897 1.00 0.00 O ATOM 1263 CB ASP A 87 34.339 -7.729 -3.587 1.00 0.00 C ATOM 1264 CG ASP A 87 34.905 -8.430 -4.823 1.00 0.00 C ATOM 1265 OD1 ASP A 87 36.121 -8.273 -5.075 1.00 0.00 O ATOM 1266 OD2 ASP A 87 34.112 -9.118 -5.504 1.00 0.00 O ATOM 0 H ASP A 87 35.354 -9.325 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 87 36.235 -6.837 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 87 33.617 -8.383 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 87 33.800 -6.832 -3.894 1.00 0.00 H new ATOM 1271 N ASP A 88 35.175 -6.632 -0.265 1.00 0.00 N ATOM 1272 CA ASP A 88 34.752 -5.778 0.836 1.00 0.00 C ATOM 1273 C ASP A 88 35.683 -4.578 1.032 1.00 0.00 C ATOM 1274 O ASP A 88 35.641 -3.914 2.068 1.00 0.00 O ATOM 1275 CB ASP A 88 34.590 -6.595 2.122 1.00 0.00 C ATOM 1276 CG ASP A 88 35.838 -7.407 2.491 1.00 0.00 C ATOM 1277 OD1 ASP A 88 35.741 -8.164 3.483 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.864 -7.270 1.792 1.00 0.00 O ATOM 0 H ASP A 88 35.675 -7.469 0.034 1.00 0.00 H new ATOM 0 HA ASP A 88 33.777 -5.365 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.349 -5.921 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.745 -7.274 2.008 1.00 0.00 H new ATOM 1283 N SER A 89 36.526 -4.299 0.033 1.00 0.00 N ATOM 1284 CA SER A 89 37.468 -3.191 0.063 1.00 0.00 C ATOM 1285 C SER A 89 36.780 -1.864 -0.267 1.00 0.00 C ATOM 1286 O SER A 89 37.414 -0.959 -0.809 1.00 0.00 O ATOM 1287 CB SER A 89 38.616 -3.476 -0.906 1.00 0.00 C ATOM 1288 OG SER A 89 38.122 -3.570 -2.229 1.00 0.00 O ATOM 0 H SER A 89 36.569 -4.847 -0.827 1.00 0.00 H new ATOM 0 HA SER A 89 37.870 -3.097 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.361 -2.683 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.115 -4.405 -0.629 1.00 0.00 H new ATOM 0 HG SER A 89 38.864 -3.751 -2.843 1.00 0.00 H new ATOM 1294 N VAL A 90 35.487 -1.746 0.055 1.00 0.00 N ATOM 1295 CA VAL A 90 34.720 -0.532 -0.218 1.00 0.00 C ATOM 1296 C VAL A 90 35.359 0.645 0.522 1.00 0.00 C ATOM 1297 O VAL A 90 35.831 0.501 1.650 1.00 0.00 O ATOM 1298 CB VAL A 90 33.253 -0.743 0.188 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.123 -1.227 1.630 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.461 0.553 0.038 1.00 0.00 C ATOM 0 H VAL A 90 34.949 -2.485 0.508 1.00 0.00 H new ATOM 0 HA VAL A 90 34.734 -0.305 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 90 32.852 -1.508 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.070 -1.363 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.647 -2.176 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.559 -0.488 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.425 0.382 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.896 1.321 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.495 0.882 -1.001 1.00 0.00 H new ATOM 1310 N ASP A 91 35.369 1.813 -0.129 1.00 0.00 N ATOM 1311 CA ASP A 91 36.082 2.991 0.346 1.00 0.00 C ATOM 1312 C ASP A 91 35.347 3.601 1.544 1.00 0.00 C ATOM 1313 O ASP A 91 34.154 3.372 1.732 1.00 0.00 O ATOM 1314 CB ASP A 91 36.161 4.000 -0.801 1.00 0.00 C ATOM 1315 CG ASP A 91 37.121 5.149 -0.498 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.968 4.979 0.409 1.00 0.00 O ATOM 1317 OD2 ASP A 91 36.999 6.189 -1.178 1.00 0.00 O ATOM 0 H ASP A 91 34.876 1.963 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 91 37.087 2.718 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.483 3.490 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 91 35.167 4.402 -0.997 1.00 0.00 H new ATOM 1322 N SER A 92 36.068 4.384 2.353 1.00 0.00 N ATOM 1323 CA SER A 92 35.520 5.007 3.554 1.00 0.00 C ATOM 1324 C SER A 92 34.437 6.025 3.207 1.00 0.00 C ATOM 1325 O SER A 92 33.654 6.418 4.073 1.00 0.00 O ATOM 1326 CB SER A 92 36.653 5.672 4.335 1.00 0.00 C ATOM 1327 OG SER A 92 37.202 6.729 3.576 1.00 0.00 O ATOM 0 H SER A 92 37.051 4.602 2.189 1.00 0.00 H new ATOM 0 HA SER A 92 35.055 4.236 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.278 6.051 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.426 4.939 4.567 1.00 0.00 H new ATOM 0 HG SER A 92 37.927 7.153 4.082 1.00 0.00 H new ATOM 1333 N ARG A 93 34.384 6.456 1.941 1.00 0.00 N ATOM 1334 CA ARG A 93 33.366 7.384 1.468 1.00 0.00 C ATOM 1335 C ARG A 93 32.000 6.711 1.353 1.00 0.00 C ATOM 1336 O ARG A 93 31.012 7.379 1.056 1.00 0.00 O ATOM 1337 CB ARG A 93 33.793 7.966 0.117 1.00 0.00 C ATOM 1338 CG ARG A 93 34.476 9.328 0.296 1.00 0.00 C ATOM 1339 CD ARG A 93 35.726 9.234 1.175 1.00 0.00 C ATOM 1340 NE ARG A 93 36.777 8.441 0.532 1.00 0.00 N ATOM 1341 CZ ARG A 93 38.086 8.675 0.675 1.00 0.00 C ATOM 1342 NH1 ARG A 93 38.520 9.671 1.447 1.00 0.00 N ATOM 1343 NH2 ARG A 93 38.962 7.905 0.039 1.00 0.00 N ATOM 0 H ARG A 93 35.047 6.168 1.222 1.00 0.00 H new ATOM 0 HA ARG A 93 33.270 8.189 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.474 7.276 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 93 32.921 8.074 -0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.749 9.727 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.772 10.030 0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 93 36.101 10.236 1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 93 35.465 8.785 2.133 1.00 0.00 H new ATOM 0 HE ARG A 93 36.493 7.662 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 93 37.851 10.265 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 93 39.521 9.839 1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 93 38.635 7.142 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 93 39.962 8.077 0.143 1.00 0.00 H new ATOM 1357 N PHE A 94 31.935 5.392 1.588 1.00 0.00 N ATOM 1358 CA PHE A 94 30.692 4.642 1.459 1.00 0.00 C ATOM 1359 C PHE A 94 30.539 3.676 2.638 1.00 0.00 C ATOM 1360 O PHE A 94 29.617 2.860 2.645 1.00 0.00 O ATOM 1361 CB PHE A 94 30.717 3.866 0.141 1.00 0.00 C ATOM 1362 CG PHE A 94 31.119 4.701 -1.058 1.00 0.00 C ATOM 1363 CD1 PHE A 94 30.247 5.682 -1.550 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.364 4.499 -1.673 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.616 6.457 -2.658 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.734 5.282 -2.776 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.863 6.262 -3.267 1.00 0.00 C ATOM 0 H PHE A 94 32.736 4.827 1.869 1.00 0.00 H new ATOM 0 HA PHE A 94 29.845 5.328 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.409 3.029 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.729 3.443 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 94 29.290 5.841 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 94 33.036 3.742 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 94 29.939 7.205 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.693 5.129 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 94 32.152 6.867 -4.114 1.00 0.00 H new ATOM 1377 N ARG A 95 31.424 3.754 3.640 1.00 0.00 N ATOM 1378 CA ARG A 95 31.298 2.928 4.841 1.00 0.00 C ATOM 1379 C ARG A 95 30.076 3.341 5.659 1.00 0.00 C ATOM 1380 O ARG A 95 29.630 2.586 6.520 1.00 0.00 O ATOM 1381 CB ARG A 95 32.578 3.047 5.678 1.00 0.00 C ATOM 1382 CG ARG A 95 33.752 2.319 5.018 1.00 0.00 C ATOM 1383 CD ARG A 95 33.570 0.806 5.068 1.00 0.00 C ATOM 1384 NE ARG A 95 34.685 0.133 4.394 1.00 0.00 N ATOM 1385 CZ ARG A 95 35.307 -0.953 4.861 1.00 0.00 C ATOM 1386 NH1 ARG A 95 34.944 -1.511 6.012 1.00 0.00 N ATOM 1387 NH2 ARG A 95 36.306 -1.486 4.165 1.00 0.00 N ATOM 0 H ARG A 95 32.230 4.379 3.641 1.00 0.00 H new ATOM 0 HA ARG A 95 31.161 1.888 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.830 4.099 5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.404 2.633 6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.845 2.641 3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 95 34.680 2.592 5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 95 33.511 0.475 6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 95 32.629 0.531 4.591 1.00 0.00 H new ATOM 0 HE ARG A 95 35.008 0.521 3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 95 34.179 -1.110 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 95 35.431 -2.340 6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 95 36.593 -1.066 3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 95 36.786 -2.315 4.515 1.00 0.00 H new ATOM 1401 N ASP A 96 29.542 4.535 5.393 1.00 0.00 N ATOM 1402 CA ASP A 96 28.331 5.023 6.038 1.00 0.00 C ATOM 1403 C ASP A 96 27.066 4.589 5.295 1.00 0.00 C ATOM 1404 O ASP A 96 25.958 4.933 5.704 1.00 0.00 O ATOM 1405 CB ASP A 96 28.390 6.546 6.191 1.00 0.00 C ATOM 1406 CG ASP A 96 29.467 6.997 7.181 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.653 8.229 7.294 1.00 0.00 O ATOM 1408 OD2 ASP A 96 30.091 6.116 7.813 1.00 0.00 O ATOM 0 H ASP A 96 29.942 5.190 4.721 1.00 0.00 H new ATOM 0 HA ASP A 96 28.279 4.574 7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.584 6.998 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 96 27.419 6.912 6.525 1.00 0.00 H new ATOM 1413 N ARG A 97 27.233 3.838 4.200 1.00 0.00 N ATOM 1414 CA ARG A 97 26.127 3.353 3.380 1.00 0.00 C ATOM 1415 C ARG A 97 25.954 1.848 3.584 1.00 0.00 C ATOM 1416 O ARG A 97 26.912 1.165 3.943 1.00 0.00 O ATOM 1417 CB ARG A 97 26.403 3.682 1.906 1.00 0.00 C ATOM 1418 CG ARG A 97 26.577 5.186 1.663 1.00 0.00 C ATOM 1419 CD ARG A 97 25.260 5.955 1.807 1.00 0.00 C ATOM 1420 NE ARG A 97 24.856 6.082 3.211 1.00 0.00 N ATOM 1421 CZ ARG A 97 23.595 6.209 3.623 1.00 0.00 C ATOM 1422 NH1 ARG A 97 22.593 6.272 2.750 1.00 0.00 N ATOM 1423 NH2 ARG A 97 23.331 6.273 4.923 1.00 0.00 N ATOM 0 H ARG A 97 28.150 3.550 3.859 1.00 0.00 H new ATOM 0 HA ARG A 97 25.201 3.845 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.303 3.158 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.581 3.311 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 97 27.306 5.584 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 97 26.981 5.346 0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.368 6.947 1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 97 24.477 5.443 1.248 1.00 0.00 H new ATOM 0 HE ARG A 97 25.589 6.072 3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.785 6.223 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.633 6.369 3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 97 24.092 6.225 5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.368 6.370 5.244 1.00 0.00 H new ATOM 1437 N PRO A 98 24.744 1.319 3.354 1.00 0.00 N ATOM 1438 CA PRO A 98 24.457 -0.091 3.516 1.00 0.00 C ATOM 1439 C PRO A 98 25.216 -0.910 2.480 1.00 0.00 C ATOM 1440 O PRO A 98 25.590 -0.392 1.424 1.00 0.00 O ATOM 1441 CB PRO A 98 22.945 -0.234 3.331 1.00 0.00 C ATOM 1442 CG PRO A 98 22.553 0.994 2.509 1.00 0.00 C ATOM 1443 CD PRO A 98 23.575 2.051 2.916 1.00 0.00 C ATOM 0 HA PRO A 98 24.769 -0.458 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.692 -1.159 2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.426 -0.255 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.595 0.789 1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.536 1.316 2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.815 2.706 2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.187 2.683 3.715 1.00 0.00 H new ATOM 1451 N VAL A 99 25.441 -2.188 2.780 1.00 0.00 N ATOM 1452 CA VAL A 99 26.178 -3.061 1.887 1.00 0.00 C ATOM 1453 C VAL A 99 25.716 -4.499 2.060 1.00 0.00 C ATOM 1454 O VAL A 99 25.677 -5.027 3.169 1.00 0.00 O ATOM 1455 CB VAL A 99 27.685 -2.922 2.160 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.029 -3.159 3.633 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.477 -3.926 1.328 1.00 0.00 C ATOM 0 H VAL A 99 25.120 -2.637 3.638 1.00 0.00 H new ATOM 0 HA VAL A 99 25.987 -2.772 0.853 1.00 0.00 H new ATOM 0 HB VAL A 99 27.952 -1.900 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.104 -3.050 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.504 -2.430 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.724 -4.165 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.541 -3.812 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.164 -4.938 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.293 -3.747 0.269 1.00 0.00 H new ATOM 1467 N LEU A 100 25.367 -5.127 0.940 1.00 0.00 N ATOM 1468 CA LEU A 100 25.117 -6.557 0.881 1.00 0.00 C ATOM 1469 C LEU A 100 26.447 -7.266 0.630 1.00 0.00 C ATOM 1470 O LEU A 100 27.349 -6.694 0.020 1.00 0.00 O ATOM 1471 CB LEU A 100 24.105 -6.860 -0.227 1.00 0.00 C ATOM 1472 CG LEU A 100 22.747 -6.198 0.051 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.826 -6.438 -1.139 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.096 -6.806 1.294 1.00 0.00 C ATOM 0 H LEU A 100 25.250 -4.652 0.045 1.00 0.00 H new ATOM 0 HA LEU A 100 24.694 -6.914 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.494 -6.507 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.973 -7.938 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 100 22.905 -5.132 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.859 -5.971 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.269 -6.005 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.690 -7.510 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.135 -6.324 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 100 21.943 -7.874 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.746 -6.654 2.156 1.00 0.00 H new ATOM 1486 N GLN A 101 26.578 -8.506 1.099 1.00 0.00 N ATOM 1487 CA GLN A 101 27.845 -9.221 1.027 1.00 0.00 C ATOM 1488 C GLN A 101 27.594 -10.682 0.648 1.00 0.00 C ATOM 1489 O GLN A 101 27.117 -10.963 -0.452 1.00 0.00 O ATOM 1490 CB GLN A 101 28.587 -9.046 2.363 1.00 0.00 C ATOM 1491 CG GLN A 101 30.041 -9.520 2.269 1.00 0.00 C ATOM 1492 CD GLN A 101 30.859 -9.042 3.465 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.311 -8.671 4.499 1.00 0.00 O ATOM 1494 NE2 GLN A 101 32.181 -9.050 3.327 1.00 0.00 N ATOM 0 H GLN A 101 25.820 -9.034 1.532 1.00 0.00 H new ATOM 0 HA GLN A 101 28.487 -8.813 0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.564 -7.997 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.071 -9.607 3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.068 -10.609 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.488 -9.147 1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.601 -9.365 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.776 -8.741 4.096 1.00 0.00 H new ATOM 1503 N LYS A 102 27.906 -11.611 1.558 1.00 0.00 N ATOM 1504 CA LYS A 102 27.612 -13.028 1.389 1.00 0.00 C ATOM 1505 C LYS A 102 26.109 -13.226 1.159 1.00 0.00 C ATOM 1506 O LYS A 102 25.324 -12.309 1.404 1.00 0.00 O ATOM 1507 CB LYS A 102 28.139 -13.804 2.609 1.00 0.00 C ATOM 1508 CG LYS A 102 27.809 -13.150 3.961 1.00 0.00 C ATOM 1509 CD LYS A 102 26.311 -13.190 4.281 1.00 0.00 C ATOM 1510 CE LYS A 102 26.050 -12.723 5.712 1.00 0.00 C ATOM 1511 NZ LYS A 102 26.688 -13.611 6.708 1.00 0.00 N ATOM 0 H LYS A 102 28.373 -11.393 2.438 1.00 0.00 H new ATOM 0 HA LYS A 102 28.118 -13.422 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.722 -14.811 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.221 -13.906 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.360 -13.659 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.148 -12.114 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 102 25.768 -12.555 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 102 25.933 -14.204 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.427 -11.708 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 102 24.976 -12.689 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.230 -13.481 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 26.585 -14.601 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 27.698 -13.376 6.786 1.00 0.00 H new ATOM 1525 N PRO A 103 25.687 -14.411 0.688 1.00 0.00 N ATOM 1526 CA PRO A 103 24.291 -14.705 0.435 1.00 0.00 C ATOM 1527 C PRO A 103 23.417 -14.308 1.624 1.00 0.00 C ATOM 1528 O PRO A 103 23.807 -14.483 2.776 1.00 0.00 O ATOM 1529 CB PRO A 103 24.227 -16.203 0.142 1.00 0.00 C ATOM 1530 CG PRO A 103 25.622 -16.518 -0.400 1.00 0.00 C ATOM 1531 CD PRO A 103 26.528 -15.546 0.354 1.00 0.00 C ATOM 0 HA PRO A 103 23.904 -14.132 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.005 -16.779 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.451 -16.437 -0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.901 -17.555 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.678 -16.364 -1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.938 -16.008 1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.374 -15.240 -0.262 1.00 0.00 H new ATOM 1539 N PHE A 104 22.234 -13.769 1.333 1.00 0.00 N ATOM 1540 CA PHE A 104 21.373 -13.147 2.328 1.00 0.00 C ATOM 1541 C PHE A 104 19.935 -13.651 2.317 1.00 0.00 C ATOM 1542 O PHE A 104 19.473 -14.201 1.317 1.00 0.00 O ATOM 1543 CB PHE A 104 21.466 -11.624 2.225 1.00 0.00 C ATOM 1544 CG PHE A 104 21.622 -11.133 0.804 1.00 0.00 C ATOM 1545 CD1 PHE A 104 20.530 -11.162 -0.073 1.00 0.00 C ATOM 1546 CD2 PHE A 104 22.866 -10.664 0.361 1.00 0.00 C ATOM 1547 CE1 PHE A 104 20.689 -10.733 -1.401 1.00 0.00 C ATOM 1548 CE2 PHE A 104 23.025 -10.252 -0.970 1.00 0.00 C ATOM 1549 CZ PHE A 104 21.940 -10.286 -1.850 1.00 0.00 C ATOM 0 H PHE A 104 21.846 -13.754 0.390 1.00 0.00 H new ATOM 0 HA PHE A 104 21.748 -13.453 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.570 -11.181 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.312 -11.277 2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 104 19.568 -11.513 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.701 -10.620 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 104 19.847 -10.747 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 104 23.988 -9.908 -1.316 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.065 -9.968 -2.875 1.00 0.00 H new ATOM 1559 N THR A 105 19.231 -13.458 3.432 1.00 0.00 N ATOM 1560 CA THR A 105 17.822 -13.806 3.547 1.00 0.00 C ATOM 1561 C THR A 105 16.914 -12.601 3.370 1.00 0.00 C ATOM 1562 O THR A 105 17.389 -11.491 3.136 1.00 0.00 O ATOM 1563 CB THR A 105 17.539 -14.541 4.865 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.349 -13.600 5.898 1.00 0.00 O ATOM 1565 CG2 THR A 105 18.678 -15.492 5.237 1.00 0.00 C ATOM 0 H THR A 105 19.626 -13.055 4.281 1.00 0.00 H new ATOM 0 HA THR A 105 17.593 -14.489 2.729 1.00 0.00 H new ATOM 0 HB THR A 105 16.636 -15.137 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.167 -14.069 6.739 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.441 -15.994 6.175 1.00 0.00 H new ATOM 0 HG22 THR A 105 18.803 -16.235 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.602 -14.926 5.352 1.00 0.00 H new ATOM 1573 N MET A 106 15.604 -12.809 3.487 1.00 0.00 N ATOM 1574 CA MET A 106 14.641 -11.724 3.402 1.00 0.00 C ATOM 1575 C MET A 106 14.920 -10.677 4.483 1.00 0.00 C ATOM 1576 O MET A 106 14.652 -9.494 4.289 1.00 0.00 O ATOM 1577 CB MET A 106 13.234 -12.310 3.535 1.00 0.00 C ATOM 1578 CG MET A 106 12.180 -11.213 3.707 1.00 0.00 C ATOM 1579 SD MET A 106 12.226 -9.898 2.462 1.00 0.00 S ATOM 1580 CE MET A 106 12.181 -10.911 0.971 1.00 0.00 C ATOM 0 H MET A 106 15.188 -13.727 3.642 1.00 0.00 H new ATOM 0 HA MET A 106 14.725 -11.220 2.439 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.001 -12.903 2.651 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.200 -12.985 4.390 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.192 -11.674 3.689 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.304 -10.763 4.692 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.238 -10.268 0.093 1.00 0.00 H new ATOM 0 HE2 MET A 106 13.026 -11.599 0.973 1.00 0.00 H new ATOM 0 HE3 MET A 106 11.251 -11.479 0.945 1.00 0.00 H new ATOM 1590 N ASP A 107 15.460 -11.111 5.624 1.00 0.00 N ATOM 1591 CA ASP A 107 15.806 -10.197 6.700 1.00 0.00 C ATOM 1592 C ASP A 107 17.066 -9.396 6.374 1.00 0.00 C ATOM 1593 O ASP A 107 17.287 -8.330 6.947 1.00 0.00 O ATOM 1594 CB ASP A 107 15.978 -10.969 8.007 1.00 0.00 C ATOM 1595 CG ASP A 107 14.675 -11.607 8.495 1.00 0.00 C ATOM 1596 OD1 ASP A 107 14.747 -12.340 9.508 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.624 -11.364 7.861 1.00 0.00 O ATOM 0 H ASP A 107 15.665 -12.091 5.821 1.00 0.00 H new ATOM 0 HA ASP A 107 14.989 -9.484 6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.728 -11.747 7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.357 -10.295 8.775 1.00 0.00 H new ATOM 1602 N GLY A 108 17.895 -9.908 5.462 1.00 0.00 N ATOM 1603 CA GLY A 108 19.142 -9.258 5.088 1.00 0.00 C ATOM 1604 C GLY A 108 18.910 -8.179 4.037 1.00 0.00 C ATOM 1605 O GLY A 108 19.529 -7.119 4.091 1.00 0.00 O ATOM 0 H GLY A 108 17.717 -10.782 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.603 -8.816 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.840 -10.001 4.702 1.00 0.00 H new ATOM 1609 N VAL A 109 18.012 -8.431 3.078 1.00 0.00 N ATOM 1610 CA VAL A 109 17.675 -7.435 2.071 1.00 0.00 C ATOM 1611 C VAL A 109 16.766 -6.358 2.654 1.00 0.00 C ATOM 1612 O VAL A 109 16.830 -5.204 2.232 1.00 0.00 O ATOM 1613 CB VAL A 109 17.040 -8.099 0.839 1.00 0.00 C ATOM 1614 CG1 VAL A 109 17.881 -9.284 0.369 1.00 0.00 C ATOM 1615 CG2 VAL A 109 15.623 -8.584 1.142 1.00 0.00 C ATOM 0 H VAL A 109 17.511 -9.314 2.983 1.00 0.00 H new ATOM 0 HA VAL A 109 18.596 -6.949 1.749 1.00 0.00 H new ATOM 0 HB VAL A 109 16.998 -7.347 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.413 -9.739 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 109 18.881 -8.939 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 109 17.950 -10.021 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.200 -9.049 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 109 15.653 -9.312 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.004 -7.737 1.438 1.00 0.00 H new ATOM 1625 N ALA A 110 15.923 -6.726 3.623 1.00 0.00 N ATOM 1626 CA ALA A 110 15.054 -5.765 4.281 1.00 0.00 C ATOM 1627 C ALA A 110 15.883 -4.826 5.155 1.00 0.00 C ATOM 1628 O ALA A 110 15.467 -3.704 5.426 1.00 0.00 O ATOM 1629 CB ALA A 110 14.028 -6.524 5.121 1.00 0.00 C ATOM 0 H ALA A 110 15.829 -7.683 3.964 1.00 0.00 H new ATOM 0 HA ALA A 110 14.533 -5.162 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.369 -5.813 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.438 -7.174 4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.544 -7.127 5.868 1.00 0.00 H new ATOM 1635 N LYS A 111 17.060 -5.287 5.591 1.00 0.00 N ATOM 1636 CA LYS A 111 17.966 -4.488 6.400 1.00 0.00 C ATOM 1637 C LYS A 111 18.626 -3.402 5.551 1.00 0.00 C ATOM 1638 O LYS A 111 18.750 -2.261 5.992 1.00 0.00 O ATOM 1639 CB LYS A 111 19.022 -5.419 6.999 1.00 0.00 C ATOM 1640 CG LYS A 111 19.935 -4.677 7.973 1.00 0.00 C ATOM 1641 CD LYS A 111 21.006 -5.644 8.474 1.00 0.00 C ATOM 1642 CE LYS A 111 21.791 -5.025 9.634 1.00 0.00 C ATOM 1643 NZ LYS A 111 22.486 -3.794 9.215 1.00 0.00 N ATOM 0 H LYS A 111 17.405 -6.225 5.389 1.00 0.00 H new ATOM 0 HA LYS A 111 17.413 -3.992 7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.531 -6.243 7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.620 -5.855 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.398 -3.822 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.357 -4.287 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.540 -6.575 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.686 -5.895 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 111 21.112 -4.800 10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 111 22.518 -5.745 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 23.102 -3.464 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 23.062 -3.990 8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.785 -3.058 8.992 1.00 0.00 H new ATOM 1657 N ALA A 112 19.047 -3.762 4.333 1.00 0.00 N ATOM 1658 CA ALA A 112 19.738 -2.838 3.447 1.00 0.00 C ATOM 1659 C ALA A 112 18.764 -1.820 2.856 1.00 0.00 C ATOM 1660 O ALA A 112 19.062 -0.628 2.804 1.00 0.00 O ATOM 1661 CB ALA A 112 20.430 -3.633 2.343 1.00 0.00 C ATOM 0 H ALA A 112 18.916 -4.695 3.943 1.00 0.00 H new ATOM 0 HA ALA A 112 20.485 -2.283 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 112 20.951 -2.948 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.148 -4.323 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.686 -4.196 1.779 1.00 0.00 H new ATOM 1667 N LEU A 113 17.594 -2.286 2.406 1.00 0.00 N ATOM 1668 CA LEU A 113 16.621 -1.416 1.765 1.00 0.00 C ATOM 1669 C LEU A 113 16.003 -0.456 2.779 1.00 0.00 C ATOM 1670 O LEU A 113 15.538 0.618 2.403 1.00 0.00 O ATOM 1671 CB LEU A 113 15.532 -2.270 1.101 1.00 0.00 C ATOM 1672 CG LEU A 113 16.093 -3.092 -0.066 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.012 -4.047 -0.563 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.519 -2.181 -1.217 1.00 0.00 C ATOM 0 H LEU A 113 17.304 -3.261 2.477 1.00 0.00 H new ATOM 0 HA LEU A 113 17.125 -0.820 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.093 -2.940 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.732 -1.624 0.740 1.00 0.00 H new ATOM 0 HG LEU A 113 16.965 -3.646 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.401 -4.636 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.715 -4.713 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.147 -3.475 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 113 16.914 -2.786 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.658 -1.613 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.290 -1.493 -0.870 1.00 0.00 H new ATOM 1686 N ALA A 114 15.990 -0.830 4.065 1.00 0.00 N ATOM 1687 CA ALA A 114 15.497 0.051 5.111 1.00 0.00 C ATOM 1688 C ALA A 114 16.559 1.086 5.477 1.00 0.00 C ATOM 1689 O ALA A 114 16.227 2.176 5.939 1.00 0.00 O ATOM 1690 CB ALA A 114 15.117 -0.780 6.333 1.00 0.00 C ATOM 0 H ALA A 114 16.317 -1.737 4.398 1.00 0.00 H new ATOM 0 HA ALA A 114 14.616 0.582 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.747 -0.122 7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.339 -1.493 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.993 -1.319 6.693 1.00 0.00 H new ATOM 1696 N ALA A 115 17.840 0.753 5.276 1.00 0.00 N ATOM 1697 CA ALA A 115 18.930 1.671 5.560 1.00 0.00 C ATOM 1698 C ALA A 115 19.029 2.754 4.482 1.00 0.00 C ATOM 1699 O ALA A 115 19.701 3.764 4.681 1.00 0.00 O ATOM 1700 CB ALA A 115 20.239 0.898 5.674 1.00 0.00 C ATOM 0 H ALA A 115 18.140 -0.153 4.915 1.00 0.00 H new ATOM 0 HA ALA A 115 18.731 2.168 6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.053 1.591 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.162 0.169 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.439 0.381 4.736 1.00 0.00 H new ATOM 1706 N LEU A 116 18.366 2.560 3.339 1.00 0.00 N ATOM 1707 CA LEU A 116 18.297 3.600 2.321 1.00 0.00 C ATOM 1708 C LEU A 116 17.499 4.806 2.827 1.00 0.00 C ATOM 1709 O LEU A 116 17.523 5.863 2.200 1.00 0.00 O ATOM 1710 CB LEU A 116 17.664 3.037 1.046 1.00 0.00 C ATOM 1711 CG LEU A 116 18.519 1.930 0.426 1.00 0.00 C ATOM 1712 CD1 LEU A 116 17.828 1.423 -0.838 1.00 0.00 C ATOM 1713 CD2 LEU A 116 19.905 2.457 0.051 1.00 0.00 C ATOM 0 H LEU A 116 17.875 1.699 3.101 1.00 0.00 H new ATOM 0 HA LEU A 116 19.309 3.936 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.673 2.645 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.530 3.841 0.322 1.00 0.00 H new ATOM 0 HG LEU A 116 18.634 1.127 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.429 0.633 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.844 1.030 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.717 2.244 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.494 1.652 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.803 3.267 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.407 2.828 0.944 1.00 0.00 H new ATOM 1725 N LEU A 117 16.801 4.649 3.959 1.00 0.00 N ATOM 1726 CA LEU A 117 16.023 5.726 4.559 1.00 0.00 C ATOM 1727 C LEU A 117 16.813 6.409 5.685 1.00 0.00 C ATOM 1728 O LEU A 117 16.282 7.298 6.352 1.00 0.00 O ATOM 1729 CB LEU A 117 14.697 5.174 5.099 1.00 0.00 C ATOM 1730 CG LEU A 117 13.675 4.908 3.986 1.00 0.00 C ATOM 1731 CD1 LEU A 117 14.082 3.726 3.102 1.00 0.00 C ATOM 1732 CD2 LEU A 117 12.326 4.586 4.625 1.00 0.00 C ATOM 0 H LEU A 117 16.763 3.772 4.479 1.00 0.00 H new ATOM 0 HA LEU A 117 15.813 6.471 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.887 4.248 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.276 5.882 5.813 1.00 0.00 H new ATOM 0 HG LEU A 117 13.622 5.800 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.330 3.574 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.045 3.935 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.162 2.826 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.590 4.395 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 117 12.424 3.702 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.000 5.431 5.232 1.00 0.00 H new ATOM 1744 N VAL A 118 18.070 6.003 5.899 1.00 0.00 N ATOM 1745 CA VAL A 118 18.911 6.553 6.964 1.00 0.00 C ATOM 1746 C VAL A 118 20.252 7.073 6.457 1.00 0.00 C ATOM 1747 O VAL A 118 20.872 7.867 7.201 1.00 0.00 O ATOM 1748 CB VAL A 118 19.062 5.557 8.129 1.00 0.00 C ATOM 1749 CG1 VAL A 118 17.789 4.735 8.333 1.00 0.00 C ATOM 1750 CG2 VAL A 118 20.232 4.602 7.898 1.00 0.00 C ATOM 0 H VAL A 118 18.530 5.285 5.339 1.00 0.00 H new ATOM 0 HA VAL A 118 18.393 7.429 7.354 1.00 0.00 H new ATOM 0 HB VAL A 118 19.252 6.152 9.022 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.932 4.043 9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.957 5.403 8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.570 4.173 7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 118 20.310 3.913 8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 118 20.065 4.038 6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 118 21.156 5.173 7.810 1.00 0.00 H new TER 1760 VAL A 118