USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 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 60 ASN : amide:sc= -8.42! C(o=-10!,f=-9.7!) USER MOD Set 1.2: A 62 THR OG1 : rot 133:sc= -1.96! USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot -135:sc= 0.137! USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -168:sc= 0 (180deg=-0.185) USER MOD Single : A 3 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 8 GLN : amide:sc= -0.687 K(o=-0.69,f=-0.014) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 94:sc= 0.545 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 42 ASN : amide:sc= -3.56 K(o=-3.6,f=-10!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 49 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.95) USER MOD Single : A 53 ASN : amide:sc= -0.0996 K(o=-0.1,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -153:sc= -0.24 (180deg=-0.325) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.0339 (180deg=-0.283) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -25.016 -23.550 -0.575 1.00 0.00 N ATOM 2 CA MET A 0 -26.445 -23.812 -0.544 1.00 0.00 C ATOM 3 C MET A 0 -27.208 -22.787 -1.386 1.00 0.00 C ATOM 4 O MET A 0 -28.163 -23.136 -2.079 1.00 0.00 O ATOM 5 CB MET A 0 -26.943 -23.756 0.902 1.00 0.00 C ATOM 6 CG MET A 0 -27.081 -25.163 1.488 1.00 0.00 C ATOM 7 SD MET A 0 -27.439 -25.064 3.234 1.00 0.00 S ATOM 8 CE MET A 0 -26.658 -26.567 3.796 1.00 0.00 C ATOM 0 H1 MET A 0 -24.505 -24.362 -0.173 1.00 0.00 H new ATOM 0 H2 MET A 0 -24.711 -23.402 -1.558 1.00 0.00 H new ATOM 0 H3 MET A 0 -24.807 -22.698 -0.016 1.00 0.00 H new ATOM 0 HA MET A 0 -26.623 -24.803 -0.961 1.00 0.00 H new ATOM 0 HB2 MET A 0 -26.249 -23.172 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 0 -27.906 -23.246 0.940 1.00 0.00 H new ATOM 0 HG2 MET A 0 -27.877 -25.703 0.975 1.00 0.00 H new ATOM 0 HG3 MET A 0 -26.160 -25.724 1.328 1.00 0.00 H new ATOM 0 HE1 MET A 0 -26.787 -26.663 4.874 1.00 0.00 H new ATOM 0 HE2 MET A 0 -27.115 -27.422 3.298 1.00 0.00 H new ATOM 0 HE3 MET A 0 -25.594 -26.535 3.560 1.00 0.00 H new ATOM 18 N ALA A 1 -26.759 -21.544 -1.299 1.00 0.00 N ATOM 19 CA ALA A 1 -27.387 -20.467 -2.045 1.00 0.00 C ATOM 20 C ALA A 1 -26.367 -19.857 -3.009 1.00 0.00 C ATOM 21 O ALA A 1 -26.114 -20.407 -4.080 1.00 0.00 O ATOM 22 CB ALA A 1 -27.957 -19.435 -1.069 1.00 0.00 C ATOM 0 H ALA A 1 -25.967 -21.258 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 1 -28.217 -20.846 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -28.428 -18.627 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -28.698 -19.912 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -27.152 -19.030 -0.456 1.00 0.00 H new ATOM 28 N ASP A 2 -25.809 -18.730 -2.594 1.00 0.00 N ATOM 29 CA ASP A 2 -24.823 -18.039 -3.407 1.00 0.00 C ATOM 30 C ASP A 2 -24.557 -16.655 -2.813 1.00 0.00 C ATOM 31 O ASP A 2 -25.402 -15.766 -2.900 1.00 0.00 O ATOM 32 CB ASP A 2 -25.325 -17.851 -4.840 1.00 0.00 C ATOM 33 CG ASP A 2 -24.535 -16.841 -5.674 1.00 0.00 C ATOM 34 OD1 ASP A 2 -23.345 -17.126 -5.934 1.00 0.00 O ATOM 35 OD2 ASP A 2 -25.137 -15.807 -6.034 1.00 0.00 O ATOM 0 H ASP A 2 -26.021 -18.278 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 2 -23.915 -18.641 -3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -25.301 -18.816 -5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -26.368 -17.535 -4.805 1.00 0.00 H new ATOM 40 N GLN A 3 -23.379 -16.515 -2.223 1.00 0.00 N ATOM 41 CA GLN A 3 -22.991 -15.254 -1.615 1.00 0.00 C ATOM 42 C GLN A 3 -21.640 -15.397 -0.911 1.00 0.00 C ATOM 43 O GLN A 3 -21.462 -16.282 -0.075 1.00 0.00 O ATOM 44 CB GLN A 3 -24.065 -14.760 -0.644 1.00 0.00 C ATOM 45 CG GLN A 3 -24.354 -13.273 -0.856 1.00 0.00 C ATOM 46 CD GLN A 3 -24.462 -12.539 0.482 1.00 0.00 C ATOM 47 OE1 GLN A 3 -23.987 -12.995 1.510 1.00 0.00 O ATOM 48 NE2 GLN A 3 -25.110 -11.380 0.413 1.00 0.00 N ATOM 0 H GLN A 3 -22.680 -17.255 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 3 -22.890 -14.509 -2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -24.980 -15.336 -0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -23.738 -14.928 0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -23.561 -12.827 -1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -25.282 -13.155 -1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -25.483 -11.057 -0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -25.234 -10.814 1.253 1.00 0.00 H new ATOM 57 N LEU A 4 -20.722 -14.513 -1.276 1.00 0.00 N ATOM 58 CA LEU A 4 -19.393 -14.530 -0.690 1.00 0.00 C ATOM 59 C LEU A 4 -19.390 -13.681 0.583 1.00 0.00 C ATOM 60 O LEU A 4 -20.394 -13.053 0.916 1.00 0.00 O ATOM 61 CB LEU A 4 -18.348 -14.098 -1.720 1.00 0.00 C ATOM 62 CG LEU A 4 -18.668 -12.826 -2.508 1.00 0.00 C ATOM 63 CD1 LEU A 4 -17.457 -11.892 -2.559 1.00 0.00 C ATOM 64 CD2 LEU A 4 -19.192 -13.163 -3.905 1.00 0.00 C ATOM 0 H LEU A 4 -20.873 -13.781 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.119 -15.544 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.398 -13.953 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.206 -14.914 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.463 -12.293 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.712 -10.996 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.171 -11.612 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.624 -12.402 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -19.412 -12.241 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.437 -13.730 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -20.101 -13.758 -3.819 1.00 0.00 H new ATOM 76 N THR A 5 -18.251 -13.689 1.259 1.00 0.00 N ATOM 77 CA THR A 5 -18.104 -12.927 2.487 1.00 0.00 C ATOM 78 C THR A 5 -16.633 -12.583 2.730 1.00 0.00 C ATOM 79 O THR A 5 -15.811 -12.682 1.820 1.00 0.00 O ATOM 80 CB THR A 5 -18.735 -13.735 3.623 1.00 0.00 C ATOM 81 OG1 THR A 5 -17.642 -14.456 4.184 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.678 -14.826 3.112 1.00 0.00 C ATOM 0 H THR A 5 -17.421 -14.211 0.979 1.00 0.00 H new ATOM 0 HA THR A 5 -18.622 -11.970 2.422 1.00 0.00 H new ATOM 0 HB THR A 5 -19.282 -13.064 4.286 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.961 -15.006 4.930 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.098 -15.369 3.958 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.484 -14.370 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.124 -15.517 2.476 1.00 0.00 H new ATOM 90 N GLU A 6 -16.346 -12.188 3.961 1.00 0.00 N ATOM 91 CA GLU A 6 -14.989 -11.830 4.335 1.00 0.00 C ATOM 92 C GLU A 6 -14.002 -12.883 3.827 1.00 0.00 C ATOM 93 O GLU A 6 -12.857 -12.566 3.511 1.00 0.00 O ATOM 94 CB GLU A 6 -14.866 -11.649 5.849 1.00 0.00 C ATOM 95 CG GLU A 6 -15.796 -10.540 6.346 1.00 0.00 C ATOM 96 CD GLU A 6 -15.576 -10.268 7.836 1.00 0.00 C ATOM 97 OE1 GLU A 6 -14.537 -9.649 8.152 1.00 0.00 O ATOM 98 OE2 GLU A 6 -16.452 -10.684 8.624 1.00 0.00 O ATOM 0 H GLU A 6 -17.031 -12.108 4.713 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.745 -10.876 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.109 -12.585 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.835 -11.407 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.618 -9.628 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.834 -10.826 6.174 1.00 0.00 H new ATOM 105 N GLU A 7 -14.484 -14.116 3.764 1.00 0.00 N ATOM 106 CA GLU A 7 -13.659 -15.219 3.300 1.00 0.00 C ATOM 107 C GLU A 7 -12.791 -14.773 2.121 1.00 0.00 C ATOM 108 O GLU A 7 -11.627 -15.158 2.023 1.00 0.00 O ATOM 109 CB GLU A 7 -14.519 -16.426 2.921 1.00 0.00 C ATOM 110 CG GLU A 7 -15.117 -17.085 4.165 1.00 0.00 C ATOM 111 CD GLU A 7 -14.950 -18.605 4.114 1.00 0.00 C ATOM 112 OE1 GLU A 7 -13.798 -19.056 4.294 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.977 -19.282 3.895 1.00 0.00 O ATOM 0 H GLU A 7 -15.435 -14.375 4.026 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.003 -15.524 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.319 -16.111 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.915 -17.151 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.631 -16.692 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.175 -16.834 4.241 1.00 0.00 H new ATOM 120 N GLN A 8 -13.390 -13.967 1.258 1.00 0.00 N ATOM 121 CA GLN A 8 -12.687 -13.464 0.090 1.00 0.00 C ATOM 122 C GLN A 8 -11.598 -12.476 0.512 1.00 0.00 C ATOM 123 O GLN A 8 -10.474 -12.535 0.015 1.00 0.00 O ATOM 124 CB GLN A 8 -13.658 -12.820 -0.901 1.00 0.00 C ATOM 125 CG GLN A 8 -13.597 -13.517 -2.261 1.00 0.00 C ATOM 126 CD GLN A 8 -13.761 -15.031 -2.109 1.00 0.00 C ATOM 127 OE1 GLN A 8 -12.934 -15.817 -2.540 1.00 0.00 O ATOM 128 NE2 GLN A 8 -14.871 -15.394 -1.473 1.00 0.00 N ATOM 0 H GLN A 8 -14.355 -13.649 1.344 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.212 -14.306 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.673 -12.872 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.416 -11.764 -1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.381 -13.126 -2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.645 -13.297 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.522 -14.684 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.071 -16.382 -1.321 1.00 0.00 H new ATOM 137 N ILE A 9 -11.969 -11.589 1.423 1.00 0.00 N ATOM 138 CA ILE A 9 -11.038 -10.589 1.917 1.00 0.00 C ATOM 139 C ILE A 9 -9.790 -11.286 2.464 1.00 0.00 C ATOM 140 O ILE A 9 -8.669 -10.848 2.211 1.00 0.00 O ATOM 141 CB ILE A 9 -11.724 -9.672 2.932 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.380 -8.205 2.666 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.387 -10.089 4.364 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.458 -7.534 1.812 1.00 0.00 C ATOM 0 H ILE A 9 -12.902 -11.542 1.832 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.711 -9.939 1.105 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.802 -9.777 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.279 -7.674 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.417 -8.140 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.887 -9.421 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.724 -11.112 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.309 -10.032 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.188 -6.492 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.540 -8.052 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.415 -7.579 2.332 1.00 0.00 H new ATOM 156 N ALA A 10 -10.028 -12.359 3.205 1.00 0.00 N ATOM 157 CA ALA A 10 -8.937 -13.120 3.790 1.00 0.00 C ATOM 158 C ALA A 10 -7.815 -13.269 2.761 1.00 0.00 C ATOM 159 O ALA A 10 -6.637 -13.234 3.112 1.00 0.00 O ATOM 160 CB ALA A 10 -9.463 -14.471 4.279 1.00 0.00 C ATOM 0 H ALA A 10 -10.959 -12.719 3.413 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.524 -12.598 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.645 -15.043 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.237 -14.310 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.882 -15.024 3.438 1.00 0.00 H new ATOM 166 N GLU A 11 -8.220 -13.431 1.510 1.00 0.00 N ATOM 167 CA GLU A 11 -7.263 -13.585 0.427 1.00 0.00 C ATOM 168 C GLU A 11 -6.522 -12.269 0.183 1.00 0.00 C ATOM 169 O GLU A 11 -5.311 -12.265 -0.034 1.00 0.00 O ATOM 170 CB GLU A 11 -7.953 -14.070 -0.849 1.00 0.00 C ATOM 171 CG GLU A 11 -8.661 -15.407 -0.616 1.00 0.00 C ATOM 172 CD GLU A 11 -9.400 -15.863 -1.875 1.00 0.00 C ATOM 173 OE1 GLU A 11 -10.240 -15.073 -2.357 1.00 0.00 O ATOM 174 OE2 GLU A 11 -9.109 -16.992 -2.326 1.00 0.00 O ATOM 0 H GLU A 11 -9.198 -13.459 1.222 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.534 -14.342 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.676 -13.325 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.217 -14.178 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.932 -16.163 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.367 -15.310 0.209 1.00 0.00 H new ATOM 181 N PHE A 12 -7.280 -11.183 0.226 1.00 0.00 N ATOM 182 CA PHE A 12 -6.710 -9.863 0.012 1.00 0.00 C ATOM 183 C PHE A 12 -5.701 -9.517 1.109 1.00 0.00 C ATOM 184 O PHE A 12 -4.702 -8.849 0.851 1.00 0.00 O ATOM 185 CB PHE A 12 -7.866 -8.863 0.064 1.00 0.00 C ATOM 186 CG PHE A 12 -8.724 -8.837 -1.203 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.663 -9.799 -1.407 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.548 -7.852 -2.124 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.460 -9.775 -2.582 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.344 -7.828 -3.299 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.284 -8.790 -3.504 1.00 0.00 C ATOM 0 H PHE A 12 -8.284 -11.190 0.406 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.189 -9.833 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.502 -9.102 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.462 -7.865 0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.803 -10.581 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.802 -7.088 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.206 -10.539 -2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.203 -7.046 -4.030 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.890 -8.772 -4.398 1.00 0.00 H new ATOM 201 N LYS A 13 -5.999 -9.988 2.312 1.00 0.00 N ATOM 202 CA LYS A 13 -5.131 -9.736 3.450 1.00 0.00 C ATOM 203 C LYS A 13 -3.671 -9.857 3.008 1.00 0.00 C ATOM 204 O LYS A 13 -2.910 -8.896 3.099 1.00 0.00 O ATOM 205 CB LYS A 13 -5.499 -10.654 4.617 1.00 0.00 C ATOM 206 CG LYS A 13 -6.695 -10.101 5.394 1.00 0.00 C ATOM 207 CD LYS A 13 -6.529 -10.336 6.897 1.00 0.00 C ATOM 208 CE LYS A 13 -7.131 -11.680 7.312 1.00 0.00 C ATOM 209 NZ LYS A 13 -6.108 -12.747 7.248 1.00 0.00 N ATOM 0 H LYS A 13 -6.829 -10.542 2.523 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.270 -8.720 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.734 -11.650 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.644 -10.759 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.798 -9.034 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.611 -10.579 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.471 -10.311 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.012 -9.531 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.529 -11.610 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.966 -11.929 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.533 -13.653 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.747 -12.824 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.324 -12.515 7.891 1.00 0.00 H new ATOM 223 N GLU A 14 -3.324 -11.047 2.540 1.00 0.00 N ATOM 224 CA GLU A 14 -1.969 -11.307 2.085 1.00 0.00 C ATOM 225 C GLU A 14 -1.506 -10.197 1.139 1.00 0.00 C ATOM 226 O GLU A 14 -0.359 -9.758 1.206 1.00 0.00 O ATOM 227 CB GLU A 14 -1.869 -12.678 1.413 1.00 0.00 C ATOM 228 CG GLU A 14 -2.167 -13.800 2.410 1.00 0.00 C ATOM 229 CD GLU A 14 -1.422 -15.081 2.031 1.00 0.00 C ATOM 230 OE1 GLU A 14 -0.216 -15.152 2.353 1.00 0.00 O ATOM 231 OE2 GLU A 14 -2.075 -15.961 1.429 1.00 0.00 O ATOM 0 H GLU A 14 -3.958 -11.842 2.466 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.310 -11.317 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.570 -12.731 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.870 -12.811 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.875 -13.488 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.239 -13.993 2.436 1.00 0.00 H new ATOM 238 N ALA A 15 -2.422 -9.776 0.279 1.00 0.00 N ATOM 239 CA ALA A 15 -2.121 -8.727 -0.680 1.00 0.00 C ATOM 240 C ALA A 15 -1.563 -7.510 0.060 1.00 0.00 C ATOM 241 O ALA A 15 -0.469 -7.039 -0.248 1.00 0.00 O ATOM 242 CB ALA A 15 -3.380 -8.393 -1.484 1.00 0.00 C ATOM 0 H ALA A 15 -3.373 -10.142 0.226 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.361 -9.060 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.154 -7.606 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.720 -9.283 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.164 -8.052 -0.808 1.00 0.00 H new ATOM 248 N PHE A 16 -2.340 -7.035 1.023 1.00 0.00 N ATOM 249 CA PHE A 16 -1.937 -5.882 1.810 1.00 0.00 C ATOM 250 C PHE A 16 -0.552 -6.095 2.425 1.00 0.00 C ATOM 251 O PHE A 16 0.207 -5.143 2.599 1.00 0.00 O ATOM 252 CB PHE A 16 -2.963 -5.728 2.935 1.00 0.00 C ATOM 253 CG PHE A 16 -2.815 -4.435 3.739 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.182 -3.246 3.188 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.316 -4.473 5.003 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.045 -2.046 3.934 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.179 -3.273 5.749 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.546 -2.084 5.199 1.00 0.00 C ATOM 0 H PHE A 16 -3.247 -7.428 1.276 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.892 -4.996 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.965 -5.765 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.874 -6.577 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.577 -3.215 2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.024 -5.416 5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.337 -1.102 3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.783 -3.304 6.753 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.441 -1.171 5.766 1.00 0.00 H new ATOM 268 N SER A 17 -0.264 -7.350 2.736 1.00 0.00 N ATOM 269 CA SER A 17 1.016 -7.700 3.328 1.00 0.00 C ATOM 270 C SER A 17 2.154 -7.296 2.388 1.00 0.00 C ATOM 271 O SER A 17 3.092 -6.616 2.801 1.00 0.00 O ATOM 272 CB SER A 17 1.089 -9.197 3.638 1.00 0.00 C ATOM 273 OG SER A 17 1.677 -9.450 4.911 1.00 0.00 O ATOM 0 H SER A 17 -0.895 -8.138 2.589 1.00 0.00 H new ATOM 0 HA SER A 17 1.119 -7.157 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.086 -9.622 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.669 -9.700 2.864 1.00 0.00 H new ATOM 0 HG SER A 17 1.704 -10.416 5.073 1.00 0.00 H new ATOM 279 N LEU A 18 2.034 -7.732 1.143 1.00 0.00 N ATOM 280 CA LEU A 18 3.041 -7.425 0.142 1.00 0.00 C ATOM 281 C LEU A 18 3.549 -5.998 0.357 1.00 0.00 C ATOM 282 O LEU A 18 4.751 -5.778 0.494 1.00 0.00 O ATOM 283 CB LEU A 18 2.492 -7.676 -1.264 1.00 0.00 C ATOM 284 CG LEU A 18 3.064 -8.890 -2.000 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.156 -10.110 -1.832 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.323 -8.567 -3.473 1.00 0.00 C ATOM 0 H LEU A 18 1.254 -8.296 0.804 1.00 0.00 H new ATOM 0 HA LEU A 18 3.899 -8.089 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.411 -7.794 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.678 -6.788 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 18 4.026 -9.139 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.585 -10.959 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.066 -10.354 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.169 -9.888 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.729 -9.447 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.388 -8.277 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.037 -7.747 -3.546 1.00 0.00 H new ATOM 298 N PHE A 19 2.608 -5.066 0.381 1.00 0.00 N ATOM 299 CA PHE A 19 2.945 -3.666 0.578 1.00 0.00 C ATOM 300 C PHE A 19 3.333 -3.395 2.033 1.00 0.00 C ATOM 301 O PHE A 19 4.322 -2.714 2.299 1.00 0.00 O ATOM 302 CB PHE A 19 1.696 -2.852 0.236 1.00 0.00 C ATOM 303 CG PHE A 19 1.412 -2.749 -1.264 1.00 0.00 C ATOM 304 CD1 PHE A 19 0.758 -3.756 -1.904 1.00 0.00 C ATOM 305 CD2 PHE A 19 1.814 -1.651 -1.958 1.00 0.00 C ATOM 306 CE1 PHE A 19 0.495 -3.660 -3.296 1.00 0.00 C ATOM 307 CE2 PHE A 19 1.551 -1.555 -3.351 1.00 0.00 C ATOM 308 CZ PHE A 19 0.897 -2.561 -3.990 1.00 0.00 C ATOM 0 H PHE A 19 1.612 -5.253 0.267 1.00 0.00 H new ATOM 0 HA PHE A 19 3.792 -3.395 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.835 -3.303 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.806 -1.847 0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.439 -4.628 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.333 -0.852 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.024 -4.459 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.871 -0.683 -3.902 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.697 -2.488 -5.049 1.00 0.00 H new ATOM 318 N ASP A 20 2.533 -3.942 2.937 1.00 0.00 N ATOM 319 CA ASP A 20 2.781 -3.768 4.358 1.00 0.00 C ATOM 320 C ASP A 20 3.802 -4.807 4.825 1.00 0.00 C ATOM 321 O ASP A 20 3.430 -5.860 5.339 1.00 0.00 O ATOM 322 CB ASP A 20 1.498 -3.968 5.169 1.00 0.00 C ATOM 323 CG ASP A 20 1.695 -4.026 6.685 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.706 -3.456 7.149 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.829 -4.640 7.346 1.00 0.00 O ATOM 0 H ASP A 20 1.713 -4.506 2.713 1.00 0.00 H new ATOM 0 HA ASP A 20 3.153 -2.755 4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.809 -3.155 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.021 -4.892 4.844 1.00 0.00 H new ATOM 330 N LYS A 21 5.069 -4.474 4.629 1.00 0.00 N ATOM 331 CA LYS A 21 6.147 -5.365 5.023 1.00 0.00 C ATOM 332 C LYS A 21 6.266 -5.370 6.549 1.00 0.00 C ATOM 333 O LYS A 21 6.779 -6.325 7.132 1.00 0.00 O ATOM 334 CB LYS A 21 7.445 -4.986 4.307 1.00 0.00 C ATOM 335 CG LYS A 21 7.729 -3.489 4.443 1.00 0.00 C ATOM 336 CD LYS A 21 9.203 -3.238 4.768 1.00 0.00 C ATOM 337 CE LYS A 21 9.480 -3.450 6.258 1.00 0.00 C ATOM 338 NZ LYS A 21 10.924 -3.293 6.545 1.00 0.00 N ATOM 0 H LYS A 21 5.374 -3.599 4.202 1.00 0.00 H new ATOM 0 HA LYS A 21 5.927 -6.387 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.275 -5.557 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.374 -5.252 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.465 -2.980 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.103 -3.066 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.828 -3.909 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.473 -2.221 4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.906 -2.733 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.150 -4.445 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.094 -3.440 7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.465 -3.993 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.229 -2.335 6.278 1.00 0.00 H new ATOM 352 N ASP A 22 5.783 -4.294 7.152 1.00 0.00 N ATOM 353 CA ASP A 22 5.829 -4.163 8.598 1.00 0.00 C ATOM 354 C ASP A 22 4.775 -5.080 9.223 1.00 0.00 C ATOM 355 O ASP A 22 4.923 -5.515 10.364 1.00 0.00 O ATOM 356 CB ASP A 22 5.523 -2.728 9.031 1.00 0.00 C ATOM 357 CG ASP A 22 6.220 -1.642 8.209 1.00 0.00 C ATOM 358 OD1 ASP A 22 6.130 -1.727 6.965 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.826 -0.751 8.842 1.00 0.00 O ATOM 0 H ASP A 22 5.358 -3.505 6.665 1.00 0.00 H new ATOM 0 HA ASP A 22 6.832 -4.434 8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.446 -2.570 8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.809 -2.611 10.076 1.00 0.00 H new ATOM 364 N GLY A 23 3.734 -5.346 8.447 1.00 0.00 N ATOM 365 CA GLY A 23 2.656 -6.203 8.910 1.00 0.00 C ATOM 366 C GLY A 23 1.931 -5.577 10.103 1.00 0.00 C ATOM 367 O GLY A 23 1.117 -6.231 10.752 1.00 0.00 O ATOM 0 H GLY A 23 3.615 -4.983 7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.948 -6.374 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.057 -7.176 9.193 1.00 0.00 H new ATOM 371 N ASP A 24 2.254 -4.317 10.355 1.00 0.00 N ATOM 372 CA ASP A 24 1.643 -3.595 11.459 1.00 0.00 C ATOM 373 C ASP A 24 0.136 -3.484 11.219 1.00 0.00 C ATOM 374 O ASP A 24 -0.650 -3.522 12.164 1.00 0.00 O ATOM 375 CB ASP A 24 2.210 -2.178 11.571 1.00 0.00 C ATOM 376 CG ASP A 24 2.137 -1.350 10.287 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.791 -1.947 9.245 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.430 -0.138 10.376 1.00 0.00 O ATOM 0 H ASP A 24 2.930 -3.778 9.814 1.00 0.00 H new ATOM 0 HA ASP A 24 1.855 -4.142 12.378 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.673 -1.649 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.252 -2.243 11.885 1.00 0.00 H new ATOM 383 N GLY A 25 -0.220 -3.349 9.950 1.00 0.00 N ATOM 384 CA GLY A 25 -1.619 -3.232 9.575 1.00 0.00 C ATOM 385 C GLY A 25 -1.864 -1.958 8.764 1.00 0.00 C ATOM 386 O GLY A 25 -2.997 -1.670 8.381 1.00 0.00 O ATOM 0 H GLY A 25 0.435 -3.318 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.917 -4.102 8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.240 -3.222 10.471 1.00 0.00 H new ATOM 390 N THR A 26 -0.784 -1.229 8.526 1.00 0.00 N ATOM 391 CA THR A 26 -0.867 0.008 7.767 1.00 0.00 C ATOM 392 C THR A 26 0.268 0.084 6.745 1.00 0.00 C ATOM 393 O THR A 26 1.389 -0.340 7.023 1.00 0.00 O ATOM 394 CB THR A 26 -0.871 1.172 8.760 1.00 0.00 C ATOM 395 OG1 THR A 26 0.434 1.143 9.333 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.805 0.927 9.947 1.00 0.00 C ATOM 0 H THR A 26 0.154 -1.471 8.845 1.00 0.00 H new ATOM 0 HA THR A 26 -1.788 0.055 7.186 1.00 0.00 H new ATOM 0 HB THR A 26 -1.170 2.086 8.247 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.520 1.866 9.989 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.770 1.783 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.824 0.791 9.586 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.487 0.032 10.481 1.00 0.00 H new ATOM 404 N ILE A 27 -0.061 0.628 5.582 1.00 0.00 N ATOM 405 CA ILE A 27 0.917 0.765 4.517 1.00 0.00 C ATOM 406 C ILE A 27 1.279 2.243 4.349 1.00 0.00 C ATOM 407 O ILE A 27 0.464 3.035 3.880 1.00 0.00 O ATOM 408 CB ILE A 27 0.407 0.108 3.233 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.164 -1.388 3.442 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.358 0.376 2.064 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.528 -2.007 2.226 1.00 0.00 C ATOM 0 H ILE A 27 -0.991 0.979 5.355 1.00 0.00 H new ATOM 0 HA ILE A 27 1.836 0.238 4.774 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.552 0.558 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.114 -1.893 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.449 -1.540 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.972 -0.102 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.437 1.450 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.343 -0.029 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.689 -3.071 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.488 -1.517 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.099 -1.875 1.344 1.00 0.00 H new ATOM 423 N THR A 28 2.501 2.568 4.743 1.00 0.00 N ATOM 424 CA THR A 28 2.980 3.936 4.642 1.00 0.00 C ATOM 425 C THR A 28 3.431 4.240 3.212 1.00 0.00 C ATOM 426 O THR A 28 2.919 3.654 2.259 1.00 0.00 O ATOM 427 CB THR A 28 4.087 4.127 5.681 1.00 0.00 C ATOM 428 OG1 THR A 28 4.544 5.459 5.461 1.00 0.00 O ATOM 429 CG2 THR A 28 5.315 3.260 5.395 1.00 0.00 C ATOM 0 H THR A 28 3.174 1.908 5.133 1.00 0.00 H new ATOM 0 HA THR A 28 2.185 4.650 4.857 1.00 0.00 H new ATOM 0 HB THR A 28 3.699 3.891 6.672 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.524 5.474 5.466 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.070 3.434 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.027 2.209 5.401 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.724 3.519 4.418 1.00 0.00 H new ATOM 437 N THR A 29 4.383 5.155 3.107 1.00 0.00 N ATOM 438 CA THR A 29 4.908 5.543 1.809 1.00 0.00 C ATOM 439 C THR A 29 6.098 4.660 1.429 1.00 0.00 C ATOM 440 O THR A 29 6.162 4.145 0.313 1.00 0.00 O ATOM 441 CB THR A 29 5.251 7.033 1.864 1.00 0.00 C ATOM 442 OG1 THR A 29 5.800 7.215 3.167 1.00 0.00 O ATOM 443 CG2 THR A 29 4.005 7.922 1.858 1.00 0.00 C ATOM 0 H THR A 29 4.805 5.639 3.900 1.00 0.00 H new ATOM 0 HA THR A 29 4.168 5.393 1.023 1.00 0.00 H new ATOM 0 HB THR A 29 5.885 7.291 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.052 8.154 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.305 8.969 1.898 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.435 7.743 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.387 7.688 2.725 1.00 0.00 H new ATOM 451 N LYS A 30 7.010 4.510 2.377 1.00 0.00 N ATOM 452 CA LYS A 30 8.194 3.698 2.156 1.00 0.00 C ATOM 453 C LYS A 30 7.773 2.248 1.907 1.00 0.00 C ATOM 454 O LYS A 30 8.479 1.500 1.232 1.00 0.00 O ATOM 455 CB LYS A 30 9.181 3.861 3.314 1.00 0.00 C ATOM 456 CG LYS A 30 10.618 3.616 2.849 1.00 0.00 C ATOM 457 CD LYS A 30 11.601 3.749 4.013 1.00 0.00 C ATOM 458 CE LYS A 30 12.614 2.603 4.008 1.00 0.00 C ATOM 459 NZ LYS A 30 12.020 1.383 4.600 1.00 0.00 N ATOM 0 H LYS A 30 6.953 4.938 3.301 1.00 0.00 H new ATOM 0 HA LYS A 30 8.725 4.035 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.096 4.865 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.929 3.163 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.698 2.620 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.877 4.329 2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.125 4.702 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.055 3.752 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.936 2.399 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.502 2.892 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.721 0.615 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.734 1.577 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.187 1.099 4.047 1.00 0.00 H new ATOM 473 N GLU A 31 6.624 1.895 2.465 1.00 0.00 N ATOM 474 CA GLU A 31 6.101 0.548 2.311 1.00 0.00 C ATOM 475 C GLU A 31 5.308 0.432 1.008 1.00 0.00 C ATOM 476 O GLU A 31 5.058 -0.672 0.526 1.00 0.00 O ATOM 477 CB GLU A 31 5.241 0.154 3.514 1.00 0.00 C ATOM 478 CG GLU A 31 6.066 0.158 4.803 1.00 0.00 C ATOM 479 CD GLU A 31 5.187 0.473 6.015 1.00 0.00 C ATOM 480 OE1 GLU A 31 3.951 0.493 5.830 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.771 0.687 7.099 1.00 0.00 O ATOM 0 H GLU A 31 6.041 2.518 3.024 1.00 0.00 H new ATOM 0 HA GLU A 31 6.941 -0.145 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.405 0.847 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.816 -0.837 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.542 -0.813 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.864 0.897 4.726 1.00 0.00 H new ATOM 488 N LEU A 32 4.933 1.586 0.476 1.00 0.00 N ATOM 489 CA LEU A 32 4.173 1.628 -0.762 1.00 0.00 C ATOM 490 C LEU A 32 5.139 1.678 -1.947 1.00 0.00 C ATOM 491 O LEU A 32 4.871 1.094 -2.996 1.00 0.00 O ATOM 492 CB LEU A 32 3.171 2.783 -0.736 1.00 0.00 C ATOM 493 CG LEU A 32 2.013 2.689 -1.732 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.753 2.143 -1.058 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.762 4.038 -2.410 1.00 0.00 C ATOM 0 H LEU A 32 5.141 2.499 0.880 1.00 0.00 H new ATOM 0 HA LEU A 32 3.577 0.722 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.755 2.854 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.711 3.711 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 32 2.292 1.983 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.055 2.086 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.954 1.148 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.460 2.805 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.934 3.944 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.514 4.784 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.659 4.348 -2.946 1.00 0.00 H new ATOM 507 N GLY A 33 6.244 2.380 -1.740 1.00 0.00 N ATOM 508 CA GLY A 33 7.251 2.514 -2.778 1.00 0.00 C ATOM 509 C GLY A 33 8.192 1.308 -2.789 1.00 0.00 C ATOM 510 O GLY A 33 8.986 1.143 -3.713 1.00 0.00 O ATOM 0 H GLY A 33 6.463 2.862 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.766 2.610 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.825 3.426 -2.617 1.00 0.00 H new ATOM 514 N THR A 34 8.070 0.494 -1.750 1.00 0.00 N ATOM 515 CA THR A 34 8.900 -0.692 -1.627 1.00 0.00 C ATOM 516 C THR A 34 8.512 -1.726 -2.686 1.00 0.00 C ATOM 517 O THR A 34 9.335 -2.110 -3.515 1.00 0.00 O ATOM 518 CB THR A 34 8.772 -1.213 -0.194 1.00 0.00 C ATOM 519 OG1 THR A 34 9.977 -0.789 0.438 1.00 0.00 O ATOM 520 CG2 THR A 34 8.829 -2.740 -0.118 1.00 0.00 C ATOM 0 H THR A 34 7.409 0.633 -0.986 1.00 0.00 H new ATOM 0 HA THR A 34 9.949 -0.461 -1.811 1.00 0.00 H new ATOM 0 HB THR A 34 7.834 -0.863 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.826 0.069 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.734 -3.056 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.013 -3.164 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.781 -3.089 -0.518 1.00 0.00 H new ATOM 528 N VAL A 35 7.257 -2.147 -2.623 1.00 0.00 N ATOM 529 CA VAL A 35 6.749 -3.129 -3.566 1.00 0.00 C ATOM 530 C VAL A 35 7.001 -2.637 -4.993 1.00 0.00 C ATOM 531 O VAL A 35 7.147 -3.440 -5.914 1.00 0.00 O ATOM 532 CB VAL A 35 5.272 -3.412 -3.284 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.539 -3.828 -4.560 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.116 -4.471 -2.191 1.00 0.00 C ATOM 0 H VAL A 35 6.577 -1.826 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 35 7.275 -4.077 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 35 4.817 -2.489 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.491 -4.023 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.606 -3.027 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.996 -4.731 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.057 -4.654 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.594 -5.397 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.586 -4.118 -1.273 1.00 0.00 H new ATOM 544 N MET A 36 7.045 -1.321 -5.132 1.00 0.00 N ATOM 545 CA MET A 36 7.277 -0.712 -6.431 1.00 0.00 C ATOM 546 C MET A 36 8.736 -0.879 -6.862 1.00 0.00 C ATOM 547 O MET A 36 9.015 -1.153 -8.028 1.00 0.00 O ATOM 548 CB MET A 36 6.931 0.777 -6.367 1.00 0.00 C ATOM 549 CG MET A 36 5.454 0.982 -6.022 1.00 0.00 C ATOM 550 SD MET A 36 4.639 1.875 -7.335 1.00 0.00 S ATOM 551 CE MET A 36 3.006 1.161 -7.228 1.00 0.00 C ATOM 0 H MET A 36 6.924 -0.658 -4.366 1.00 0.00 H new ATOM 0 HA MET A 36 6.642 -1.210 -7.163 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.554 1.267 -5.619 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.153 1.247 -7.325 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.970 0.017 -5.872 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.364 1.533 -5.086 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.362 1.610 -7.985 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.067 0.086 -7.395 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.590 1.351 -6.239 1.00 0.00 H new ATOM 561 N ARG A 37 9.628 -0.708 -5.898 1.00 0.00 N ATOM 562 CA ARG A 37 11.051 -0.836 -6.163 1.00 0.00 C ATOM 563 C ARG A 37 11.366 -2.231 -6.707 1.00 0.00 C ATOM 564 O ARG A 37 12.408 -2.439 -7.326 1.00 0.00 O ATOM 565 CB ARG A 37 11.871 -0.594 -4.894 1.00 0.00 C ATOM 566 CG ARG A 37 12.256 0.881 -4.763 1.00 0.00 C ATOM 567 CD ARG A 37 11.813 1.445 -3.411 1.00 0.00 C ATOM 568 NE ARG A 37 11.150 2.754 -3.602 1.00 0.00 N ATOM 569 CZ ARG A 37 11.805 3.913 -3.751 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.145 3.933 -3.732 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.121 5.053 -3.918 1.00 0.00 N ATOM 0 H ARG A 37 9.393 -0.482 -4.932 1.00 0.00 H new ATOM 0 HA ARG A 37 11.319 -0.084 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.296 -0.902 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.771 -1.208 -4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.335 0.990 -4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.796 1.454 -5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.130 0.750 -2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.676 1.557 -2.754 1.00 0.00 H new ATOM 0 HE ARG A 37 10.130 2.775 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.666 3.066 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.644 4.816 -3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.101 5.039 -3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.620 5.935 -4.031 1.00 0.00 H new ATOM 585 N SER A 38 10.445 -3.150 -6.458 1.00 0.00 N ATOM 586 CA SER A 38 10.611 -4.519 -6.916 1.00 0.00 C ATOM 587 C SER A 38 9.559 -4.847 -7.978 1.00 0.00 C ATOM 588 O SER A 38 8.997 -5.941 -7.983 1.00 0.00 O ATOM 589 CB SER A 38 10.514 -5.505 -5.751 1.00 0.00 C ATOM 590 OG SER A 38 11.438 -5.196 -4.711 1.00 0.00 O ATOM 0 H SER A 38 9.581 -2.974 -5.945 1.00 0.00 H new ATOM 0 HA SER A 38 11.604 -4.614 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.500 -5.494 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.702 -6.515 -6.115 1.00 0.00 H new ATOM 0 HG SER A 38 11.343 -5.848 -3.985 1.00 0.00 H new ATOM 596 N LEU A 39 9.325 -3.879 -8.852 1.00 0.00 N ATOM 597 CA LEU A 39 8.351 -4.051 -9.916 1.00 0.00 C ATOM 598 C LEU A 39 8.710 -3.130 -11.084 1.00 0.00 C ATOM 599 O LEU A 39 7.844 -2.761 -11.877 1.00 0.00 O ATOM 600 CB LEU A 39 6.932 -3.844 -9.383 1.00 0.00 C ATOM 601 CG LEU A 39 5.821 -4.587 -10.127 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.878 -5.288 -9.147 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.069 -3.645 -11.071 1.00 0.00 C ATOM 0 H LEU A 39 9.793 -2.973 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 39 8.378 -5.073 -10.295 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.910 -4.151 -8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.708 -2.778 -9.407 1.00 0.00 H new ATOM 0 HG LEU A 39 6.280 -5.361 -10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.098 -5.808 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.441 -6.007 -8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.423 -4.549 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.285 -4.198 -11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.623 -2.834 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.764 -3.232 -11.802 1.00 0.00 H new ATOM 615 N GLY A 40 9.987 -2.784 -11.153 1.00 0.00 N ATOM 616 CA GLY A 40 10.470 -1.913 -12.210 1.00 0.00 C ATOM 617 C GLY A 40 10.030 -0.467 -11.973 1.00 0.00 C ATOM 618 O GLY A 40 10.246 0.398 -12.821 1.00 0.00 O ATOM 0 H GLY A 40 10.702 -3.091 -10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.558 -1.963 -12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.092 -2.259 -13.172 1.00 0.00 H new ATOM 622 N GLN A 41 9.420 -0.249 -10.818 1.00 0.00 N ATOM 623 CA GLN A 41 8.947 1.077 -10.459 1.00 0.00 C ATOM 624 C GLN A 41 9.812 1.664 -9.341 1.00 0.00 C ATOM 625 O GLN A 41 10.691 0.987 -8.811 1.00 0.00 O ATOM 626 CB GLN A 41 7.473 1.042 -10.051 1.00 0.00 C ATOM 627 CG GLN A 41 6.579 0.730 -11.253 1.00 0.00 C ATOM 628 CD GLN A 41 5.320 1.599 -11.239 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.262 2.662 -11.835 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.318 1.089 -10.529 1.00 0.00 N ATOM 0 H GLN A 41 9.242 -0.969 -10.118 1.00 0.00 H new ATOM 0 HA GLN A 41 9.032 1.721 -11.334 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.324 0.289 -9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.188 2.002 -9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.133 0.900 -12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.299 -0.323 -11.239 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.433 0.194 -10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.434 1.593 -10.459 1.00 0.00 H new ATOM 639 N ASN A 42 9.531 2.917 -9.016 1.00 0.00 N ATOM 640 CA ASN A 42 10.271 3.603 -7.971 1.00 0.00 C ATOM 641 C ASN A 42 9.792 5.053 -7.879 1.00 0.00 C ATOM 642 O ASN A 42 10.551 5.980 -8.157 1.00 0.00 O ATOM 643 CB ASN A 42 11.770 3.619 -8.278 1.00 0.00 C ATOM 644 CG ASN A 42 12.558 4.250 -7.128 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.033 4.989 -6.312 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.846 3.918 -7.109 1.00 0.00 N ATOM 0 H ASN A 42 8.801 3.475 -9.458 1.00 0.00 H new ATOM 0 HA ASN A 42 10.100 3.073 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.121 2.601 -8.449 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.951 4.177 -9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.457 4.287 -6.381 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.222 3.294 -7.823 1.00 0.00 H new ATOM 653 N PRO A 43 8.501 5.208 -7.479 1.00 0.00 N ATOM 654 CA PRO A 43 7.912 6.529 -7.348 1.00 0.00 C ATOM 655 C PRO A 43 8.422 7.235 -6.091 1.00 0.00 C ATOM 656 O PRO A 43 8.566 6.612 -5.040 1.00 0.00 O ATOM 657 CB PRO A 43 6.411 6.290 -7.327 1.00 0.00 C ATOM 658 CG PRO A 43 6.228 4.822 -6.980 1.00 0.00 C ATOM 659 CD PRO A 43 7.573 4.133 -7.143 1.00 0.00 C ATOM 0 HA PRO A 43 8.185 7.194 -8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.924 6.929 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.965 6.521 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.865 4.714 -5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.484 4.365 -7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.871 3.624 -6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.539 3.379 -7.929 1.00 0.00 H new ATOM 667 N THR A 44 8.683 8.526 -6.239 1.00 0.00 N ATOM 668 CA THR A 44 9.174 9.323 -5.129 1.00 0.00 C ATOM 669 C THR A 44 8.122 9.401 -4.021 1.00 0.00 C ATOM 670 O THR A 44 6.953 9.089 -4.247 1.00 0.00 O ATOM 671 CB THR A 44 9.584 10.692 -5.674 1.00 0.00 C ATOM 672 OG1 THR A 44 8.427 11.150 -6.369 1.00 0.00 O ATOM 673 CG2 THR A 44 10.656 10.592 -6.761 1.00 0.00 C ATOM 0 H THR A 44 8.563 9.040 -7.112 1.00 0.00 H new ATOM 0 HA THR A 44 10.050 8.864 -4.671 1.00 0.00 H new ATOM 0 HB THR A 44 9.952 11.312 -4.857 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.605 12.034 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.911 11.591 -7.114 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.546 10.114 -6.352 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.276 10.000 -7.593 1.00 0.00 H new ATOM 681 N GLU A 45 8.573 9.819 -2.848 1.00 0.00 N ATOM 682 CA GLU A 45 7.685 9.942 -1.704 1.00 0.00 C ATOM 683 C GLU A 45 6.538 10.902 -2.024 1.00 0.00 C ATOM 684 O GLU A 45 5.483 10.846 -1.394 1.00 0.00 O ATOM 685 CB GLU A 45 8.451 10.398 -0.461 1.00 0.00 C ATOM 686 CG GLU A 45 9.485 9.351 -0.039 1.00 0.00 C ATOM 687 CD GLU A 45 10.732 10.016 0.545 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.552 10.993 1.304 1.00 0.00 O ATOM 689 OE2 GLU A 45 11.838 9.533 0.220 1.00 0.00 O ATOM 0 H GLU A 45 9.543 10.077 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 45 7.263 8.960 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.950 11.346 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.752 10.574 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.047 8.679 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.763 8.742 -0.899 1.00 0.00 H new ATOM 696 N ALA A 46 6.783 11.761 -3.003 1.00 0.00 N ATOM 697 CA ALA A 46 5.784 12.732 -3.414 1.00 0.00 C ATOM 698 C ALA A 46 4.674 12.019 -4.188 1.00 0.00 C ATOM 699 O ALA A 46 3.491 12.253 -3.942 1.00 0.00 O ATOM 700 CB ALA A 46 6.452 13.836 -4.236 1.00 0.00 C ATOM 0 H ALA A 46 7.659 11.804 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 46 5.328 13.205 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.702 14.564 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.212 14.331 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.919 13.400 -5.119 1.00 0.00 H new ATOM 706 N GLU A 47 5.094 11.163 -5.109 1.00 0.00 N ATOM 707 CA GLU A 47 4.150 10.414 -5.921 1.00 0.00 C ATOM 708 C GLU A 47 3.246 9.559 -5.031 1.00 0.00 C ATOM 709 O GLU A 47 2.028 9.733 -5.028 1.00 0.00 O ATOM 710 CB GLU A 47 4.878 9.551 -6.952 1.00 0.00 C ATOM 711 CG GLU A 47 3.890 8.694 -7.746 1.00 0.00 C ATOM 712 CD GLU A 47 3.851 9.119 -9.215 1.00 0.00 C ATOM 713 OE1 GLU A 47 3.766 10.344 -9.449 1.00 0.00 O ATOM 714 OE2 GLU A 47 3.908 8.210 -10.071 1.00 0.00 O ATOM 0 H GLU A 47 6.075 10.972 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 47 3.526 11.123 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.441 10.189 -7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.600 8.908 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.175 7.644 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.894 8.784 -7.311 1.00 0.00 H new ATOM 721 N LEU A 48 3.876 8.654 -4.297 1.00 0.00 N ATOM 722 CA LEU A 48 3.144 7.771 -3.405 1.00 0.00 C ATOM 723 C LEU A 48 2.084 8.579 -2.652 1.00 0.00 C ATOM 724 O LEU A 48 0.894 8.281 -2.740 1.00 0.00 O ATOM 725 CB LEU A 48 4.108 7.017 -2.487 1.00 0.00 C ATOM 726 CG LEU A 48 5.185 6.184 -3.185 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.437 6.065 -2.314 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.639 4.814 -3.594 1.00 0.00 C ATOM 0 H LEU A 48 4.886 8.513 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 48 2.618 7.005 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.600 7.740 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.525 6.357 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 48 5.477 6.701 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.186 5.468 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.838 7.059 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.180 5.583 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.424 4.242 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.302 4.277 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.801 4.946 -4.279 1.00 0.00 H new ATOM 740 N GLN A 49 2.555 9.585 -1.931 1.00 0.00 N ATOM 741 CA GLN A 49 1.662 10.438 -1.164 1.00 0.00 C ATOM 742 C GLN A 49 0.418 10.779 -1.986 1.00 0.00 C ATOM 743 O GLN A 49 -0.700 10.738 -1.473 1.00 0.00 O ATOM 744 CB GLN A 49 2.380 11.708 -0.702 1.00 0.00 C ATOM 745 CG GLN A 49 1.999 12.060 0.737 1.00 0.00 C ATOM 746 CD GLN A 49 2.976 11.429 1.732 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.184 11.469 1.566 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.387 10.845 2.772 1.00 0.00 N ATOM 0 H GLN A 49 3.543 9.829 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 49 1.347 9.894 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.458 11.566 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.124 12.536 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.996 13.143 0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.987 11.712 0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.370 10.848 2.850 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.952 10.394 3.492 1.00 0.00 H new ATOM 757 N ASP A 50 0.652 11.107 -3.248 1.00 0.00 N ATOM 758 CA ASP A 50 -0.436 11.455 -4.145 1.00 0.00 C ATOM 759 C ASP A 50 -1.318 10.225 -4.371 1.00 0.00 C ATOM 760 O ASP A 50 -2.538 10.343 -4.473 1.00 0.00 O ATOM 761 CB ASP A 50 0.096 11.910 -5.505 1.00 0.00 C ATOM 762 CG ASP A 50 -0.151 13.384 -5.836 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.618 14.219 -5.313 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.103 13.641 -6.604 1.00 0.00 O ATOM 0 H ASP A 50 1.580 11.139 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.003 12.267 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.169 11.720 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.362 11.297 -6.281 1.00 0.00 H new ATOM 769 N MET A 51 -0.666 9.074 -4.442 1.00 0.00 N ATOM 770 CA MET A 51 -1.376 7.824 -4.653 1.00 0.00 C ATOM 771 C MET A 51 -2.121 7.395 -3.387 1.00 0.00 C ATOM 772 O MET A 51 -3.304 7.065 -3.440 1.00 0.00 O ATOM 773 CB MET A 51 -0.381 6.733 -5.055 1.00 0.00 C ATOM 774 CG MET A 51 0.499 7.195 -6.218 1.00 0.00 C ATOM 775 SD MET A 51 1.942 6.153 -6.342 1.00 0.00 S ATOM 776 CE MET A 51 1.388 5.003 -7.590 1.00 0.00 C ATOM 0 H MET A 51 0.346 8.981 -4.357 1.00 0.00 H new ATOM 0 HA MET A 51 -2.106 7.973 -5.448 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.245 6.474 -4.201 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.921 5.830 -5.339 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.066 7.160 -7.149 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.801 8.232 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.175 4.276 -7.790 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.497 4.485 -7.237 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.154 5.545 -8.506 1.00 0.00 H new ATOM 786 N ILE A 52 -1.396 7.414 -2.278 1.00 0.00 N ATOM 787 CA ILE A 52 -1.973 7.032 -1.001 1.00 0.00 C ATOM 788 C ILE A 52 -3.270 7.811 -0.778 1.00 0.00 C ATOM 789 O ILE A 52 -4.240 7.271 -0.247 1.00 0.00 O ATOM 790 CB ILE A 52 -0.950 7.207 0.123 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.059 6.056 0.131 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.644 7.369 1.477 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.612 5.821 1.538 1.00 0.00 C ATOM 0 H ILE A 52 -0.414 7.688 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.233 5.973 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.392 8.124 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.419 5.146 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.878 6.281 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.894 7.492 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.289 8.247 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.244 6.484 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.326 4.998 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.110 6.725 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.206 5.573 2.214 1.00 0.00 H new ATOM 805 N ASN A 53 -3.247 9.069 -1.194 1.00 0.00 N ATOM 806 CA ASN A 53 -4.409 9.928 -1.047 1.00 0.00 C ATOM 807 C ASN A 53 -5.571 9.351 -1.857 1.00 0.00 C ATOM 808 O ASN A 53 -6.733 9.642 -1.577 1.00 0.00 O ATOM 809 CB ASN A 53 -4.122 11.337 -1.570 1.00 0.00 C ATOM 810 CG ASN A 53 -3.409 12.181 -0.511 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.605 12.021 0.682 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.573 13.085 -1.013 1.00 0.00 N ATOM 0 H ASN A 53 -2.441 9.514 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.657 9.980 0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.506 11.277 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.056 11.820 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.049 13.697 -0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.456 13.166 -2.023 1.00 0.00 H new ATOM 819 N GLU A 54 -5.217 8.542 -2.845 1.00 0.00 N ATOM 820 CA GLU A 54 -6.216 7.921 -3.698 1.00 0.00 C ATOM 821 C GLU A 54 -6.870 6.740 -2.977 1.00 0.00 C ATOM 822 O GLU A 54 -8.009 6.381 -3.272 1.00 0.00 O ATOM 823 CB GLU A 54 -5.603 7.480 -5.029 1.00 0.00 C ATOM 824 CG GLU A 54 -4.899 8.647 -5.722 1.00 0.00 C ATOM 825 CD GLU A 54 -4.753 8.387 -7.223 1.00 0.00 C ATOM 826 OE1 GLU A 54 -3.891 7.552 -7.573 1.00 0.00 O ATOM 827 OE2 GLU A 54 -5.507 9.029 -7.986 1.00 0.00 O ATOM 0 H GLU A 54 -4.252 8.302 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.987 8.659 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.891 6.673 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.383 7.084 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.465 9.565 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.915 8.798 -5.278 1.00 0.00 H new ATOM 834 N VAL A 55 -6.120 6.169 -2.046 1.00 0.00 N ATOM 835 CA VAL A 55 -6.612 5.036 -1.280 1.00 0.00 C ATOM 836 C VAL A 55 -6.643 5.404 0.205 1.00 0.00 C ATOM 837 O VAL A 55 -6.450 4.546 1.065 1.00 0.00 O ATOM 838 CB VAL A 55 -5.762 3.798 -1.572 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.427 2.912 -2.627 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.347 4.193 -2.000 1.00 0.00 C ATOM 0 H VAL A 55 -5.176 6.469 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.632 4.790 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.684 3.220 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.802 2.039 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.403 2.588 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.550 3.477 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.764 3.295 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.397 4.803 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.871 4.763 -1.202 1.00 0.00 H new ATOM 850 N ASP A 56 -6.886 6.681 0.460 1.00 0.00 N ATOM 851 CA ASP A 56 -6.944 7.173 1.826 1.00 0.00 C ATOM 852 C ASP A 56 -7.741 8.479 1.860 1.00 0.00 C ATOM 853 O ASP A 56 -7.282 9.503 1.357 1.00 0.00 O ATOM 854 CB ASP A 56 -5.543 7.460 2.368 1.00 0.00 C ATOM 855 CG ASP A 56 -5.506 8.182 3.717 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.665 7.481 4.740 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.320 9.418 3.694 1.00 0.00 O ATOM 0 H ASP A 56 -7.045 7.390 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.418 6.407 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.006 6.516 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.003 8.061 1.636 1.00 0.00 H new ATOM 862 N ALA A 57 -8.921 8.400 2.457 1.00 0.00 N ATOM 863 CA ALA A 57 -9.786 9.563 2.563 1.00 0.00 C ATOM 864 C ALA A 57 -9.674 10.150 3.972 1.00 0.00 C ATOM 865 O ALA A 57 -10.188 11.235 4.238 1.00 0.00 O ATOM 866 CB ALA A 57 -11.220 9.166 2.209 1.00 0.00 C ATOM 0 H ALA A 57 -9.299 7.548 2.873 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.478 10.336 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.869 10.038 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.250 8.783 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.564 8.394 2.897 1.00 0.00 H new ATOM 872 N ASP A 58 -8.998 9.407 4.836 1.00 0.00 N ATOM 873 CA ASP A 58 -8.812 9.840 6.210 1.00 0.00 C ATOM 874 C ASP A 58 -7.706 10.895 6.262 1.00 0.00 C ATOM 875 O ASP A 58 -7.801 11.862 7.017 1.00 0.00 O ATOM 876 CB ASP A 58 -8.393 8.671 7.104 1.00 0.00 C ATOM 877 CG ASP A 58 -6.935 8.701 7.566 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.584 9.667 8.278 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.203 7.757 7.196 1.00 0.00 O ATOM 0 H ASP A 58 -8.572 8.508 4.611 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.759 10.246 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.037 8.657 7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.569 7.740 6.565 1.00 0.00 H new ATOM 884 N GLY A 59 -6.682 10.674 5.451 1.00 0.00 N ATOM 885 CA GLY A 59 -5.559 11.594 5.396 1.00 0.00 C ATOM 886 C GLY A 59 -4.599 11.359 6.564 1.00 0.00 C ATOM 887 O GLY A 59 -3.983 12.299 7.065 1.00 0.00 O ATOM 0 H GLY A 59 -6.607 9.871 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.027 11.468 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.924 12.621 5.422 1.00 0.00 H new ATOM 891 N ASN A 60 -4.501 10.099 6.963 1.00 0.00 N ATOM 892 CA ASN A 60 -3.626 9.729 8.062 1.00 0.00 C ATOM 893 C ASN A 60 -2.182 9.671 7.562 1.00 0.00 C ATOM 894 O ASN A 60 -1.243 9.767 8.351 1.00 0.00 O ATOM 895 CB ASN A 60 -3.991 8.349 8.615 1.00 0.00 C ATOM 896 CG ASN A 60 -3.739 7.257 7.573 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.728 7.495 6.377 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.537 6.050 8.094 1.00 0.00 N ATOM 0 H ASN A 60 -5.013 9.322 6.545 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.739 10.475 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.404 8.145 9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.040 8.338 8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.359 5.254 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.560 5.921 9.106 1.00 0.00 H new ATOM 905 N GLY A 61 -2.048 9.515 6.253 1.00 0.00 N ATOM 906 CA GLY A 61 -0.734 9.443 5.638 1.00 0.00 C ATOM 907 C GLY A 61 -0.416 8.016 5.188 1.00 0.00 C ATOM 908 O GLY A 61 0.225 7.814 4.158 1.00 0.00 O ATOM 0 H GLY A 61 -2.829 9.436 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.692 10.116 4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.022 9.782 6.347 1.00 0.00 H new ATOM 912 N THR A 62 -0.880 7.062 5.981 1.00 0.00 N ATOM 913 CA THR A 62 -0.654 5.659 5.677 1.00 0.00 C ATOM 914 C THR A 62 -1.905 5.040 5.052 1.00 0.00 C ATOM 915 O THR A 62 -2.924 5.712 4.899 1.00 0.00 O ATOM 916 CB THR A 62 -0.209 4.962 6.965 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.099 5.466 7.957 1.00 0.00 O ATOM 918 CG2 THR A 62 1.172 5.423 7.434 1.00 0.00 C ATOM 0 H THR A 62 -1.412 7.233 6.834 1.00 0.00 H new ATOM 0 HA THR A 62 0.135 5.537 4.935 1.00 0.00 H new ATOM 0 HB THR A 62 -0.197 3.883 6.808 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.445 4.723 8.494 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.439 4.898 8.351 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.910 5.204 6.662 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.152 6.496 7.623 1.00 0.00 H new ATOM 926 N ILE A 63 -1.787 3.766 4.707 1.00 0.00 N ATOM 927 CA ILE A 63 -2.896 3.049 4.102 1.00 0.00 C ATOM 928 C ILE A 63 -3.246 1.836 4.966 1.00 0.00 C ATOM 929 O ILE A 63 -2.357 1.156 5.477 1.00 0.00 O ATOM 930 CB ILE A 63 -2.577 2.696 2.648 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.289 3.956 1.828 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.694 1.853 2.030 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.496 4.338 0.969 1.00 0.00 C ATOM 0 H ILE A 63 -0.940 3.212 4.835 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.783 3.682 4.065 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.672 2.089 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.038 4.780 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.422 3.788 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.442 1.616 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.808 0.929 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.629 2.413 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.265 5.236 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.729 3.522 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.355 4.529 1.613 1.00 0.00 H new ATOM 945 N ASP A 64 -4.543 1.602 5.103 1.00 0.00 N ATOM 946 CA ASP A 64 -5.021 0.482 5.897 1.00 0.00 C ATOM 947 C ASP A 64 -5.552 -0.609 4.965 1.00 0.00 C ATOM 948 O ASP A 64 -5.382 -0.528 3.749 1.00 0.00 O ATOM 949 CB ASP A 64 -6.163 0.911 6.822 1.00 0.00 C ATOM 950 CG ASP A 64 -5.823 2.052 7.782 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.940 2.858 7.416 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.455 2.094 8.859 1.00 0.00 O ATOM 0 H ASP A 64 -5.277 2.168 4.678 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.189 0.114 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.013 1.213 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.481 0.047 7.406 1.00 0.00 H new ATOM 957 N PHE A 65 -6.184 -1.604 5.570 1.00 0.00 N ATOM 958 CA PHE A 65 -6.740 -2.709 4.809 1.00 0.00 C ATOM 959 C PHE A 65 -8.023 -2.289 4.089 1.00 0.00 C ATOM 960 O PHE A 65 -8.213 -2.607 2.916 1.00 0.00 O ATOM 961 CB PHE A 65 -7.072 -3.819 5.809 1.00 0.00 C ATOM 962 CG PHE A 65 -7.456 -5.149 5.159 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.771 -5.597 4.073 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.482 -5.883 5.666 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.128 -6.832 3.469 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.839 -7.118 5.062 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.154 -7.566 3.976 1.00 0.00 C ATOM 0 H PHE A 65 -6.323 -1.668 6.578 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.024 -3.039 4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.211 -3.979 6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.893 -3.487 6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.956 -5.014 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.026 -5.527 6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.584 -7.188 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.654 -7.701 5.465 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.425 -8.505 3.516 1.00 0.00 H new ATOM 977 N PRO A 66 -8.892 -1.561 4.840 1.00 0.00 N ATOM 978 CA PRO A 66 -10.151 -1.093 4.286 1.00 0.00 C ATOM 979 C PRO A 66 -9.928 0.087 3.338 1.00 0.00 C ATOM 980 O PRO A 66 -10.840 0.491 2.619 1.00 0.00 O ATOM 981 CB PRO A 66 -11.002 -0.733 5.492 1.00 0.00 C ATOM 982 CG PRO A 66 -10.034 -0.571 6.653 1.00 0.00 C ATOM 983 CD PRO A 66 -8.699 -1.165 6.232 1.00 0.00 C ATOM 0 HA PRO A 66 -10.648 -1.847 3.676 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.558 0.188 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.734 -1.513 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.919 0.482 6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.414 -1.077 7.541 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.894 -0.437 6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.432 -2.020 6.854 1.00 0.00 H new ATOM 991 N GLU A 67 -8.709 0.607 3.368 1.00 0.00 N ATOM 992 CA GLU A 67 -8.355 1.732 2.520 1.00 0.00 C ATOM 993 C GLU A 67 -7.610 1.246 1.275 1.00 0.00 C ATOM 994 O GLU A 67 -7.672 1.880 0.223 1.00 0.00 O ATOM 995 CB GLU A 67 -7.522 2.759 3.291 1.00 0.00 C ATOM 996 CG GLU A 67 -8.081 2.970 4.700 1.00 0.00 C ATOM 997 CD GLU A 67 -7.019 3.566 5.627 1.00 0.00 C ATOM 998 OE1 GLU A 67 -5.871 3.713 5.154 1.00 0.00 O ATOM 999 OE2 GLU A 67 -7.379 3.862 6.786 1.00 0.00 O ATOM 0 H GLU A 67 -7.955 0.270 3.966 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.274 2.224 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.488 2.421 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.516 3.707 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.945 3.633 4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.429 2.019 5.103 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.923 0.125 1.437 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.167 -0.454 0.339 1.00 0.00 C ATOM 1008 C PHE A 68 -7.031 -1.422 -0.472 1.00 0.00 C ATOM 1009 O PHE A 68 -6.904 -1.499 -1.693 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.000 -1.227 0.958 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.541 -2.429 0.130 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.275 -3.574 0.129 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.399 -2.352 -0.605 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.848 -4.690 -0.639 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -2.973 -3.467 -1.373 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.707 -4.613 -1.374 1.00 0.00 C ATOM 0 H PHE A 68 -6.874 -0.398 2.311 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.824 0.333 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.158 -0.548 1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.292 -1.572 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.182 -3.635 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.817 -1.443 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.430 -5.600 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.066 -3.406 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.383 -5.461 -1.959 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.890 -2.136 0.240 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.775 -3.095 -0.398 1.00 0.00 C ATOM 1028 C LEU A 69 -9.256 -2.528 -1.736 1.00 0.00 C ATOM 1029 O LEU A 69 -9.251 -3.227 -2.748 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.912 -3.488 0.548 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.616 -4.639 1.511 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.539 -4.585 2.730 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.693 -5.988 0.793 1.00 0.00 C ATOM 0 H LEU A 69 -7.992 -2.070 1.253 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.240 -4.019 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.189 -2.612 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.781 -3.757 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.595 -4.526 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.308 -5.414 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.391 -3.642 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.577 -4.660 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.478 -6.789 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.693 -6.125 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.962 -6.012 -0.015 1.00 0.00 H new ATOM 1045 N THR A 70 -9.660 -1.267 -1.696 1.00 0.00 N ATOM 1046 CA THR A 70 -10.143 -0.598 -2.892 1.00 0.00 C ATOM 1047 C THR A 70 -9.147 -0.773 -4.040 1.00 0.00 C ATOM 1048 O THR A 70 -9.519 -1.207 -5.129 1.00 0.00 O ATOM 1049 CB THR A 70 -10.412 0.866 -2.539 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.739 1.470 -3.787 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.148 1.602 -2.089 1.00 0.00 C ATOM 0 H THR A 70 -9.663 -0.691 -0.854 1.00 0.00 H new ATOM 0 HA THR A 70 -11.076 -1.039 -3.243 1.00 0.00 H new ATOM 0 HB THR A 70 -11.162 0.917 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.930 2.421 -3.650 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.395 2.637 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.738 1.114 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.410 1.581 -2.891 1.00 0.00 H new ATOM 1059 N MET A 71 -7.900 -0.426 -3.757 1.00 0.00 N ATOM 1060 CA MET A 71 -6.847 -0.540 -4.752 1.00 0.00 C ATOM 1061 C MET A 71 -6.973 -1.847 -5.537 1.00 0.00 C ATOM 1062 O MET A 71 -7.002 -1.836 -6.767 1.00 0.00 O ATOM 1063 CB MET A 71 -5.483 -0.489 -4.061 1.00 0.00 C ATOM 1064 CG MET A 71 -4.584 0.571 -4.700 1.00 0.00 C ATOM 1065 SD MET A 71 -3.104 -0.192 -5.344 1.00 0.00 S ATOM 1066 CE MET A 71 -2.526 1.111 -6.419 1.00 0.00 C ATOM 0 H MET A 71 -7.595 -0.066 -2.853 1.00 0.00 H new ATOM 0 HA MET A 71 -6.942 0.292 -5.450 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.616 -0.268 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.002 -1.465 -4.125 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.120 1.079 -5.502 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.321 1.329 -3.962 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.602 0.798 -6.905 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.282 1.320 -7.176 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.341 2.011 -5.833 1.00 0.00 H new ATOM 1076 N MET A 72 -7.045 -2.942 -4.794 1.00 0.00 N ATOM 1077 CA MET A 72 -7.167 -4.254 -5.405 1.00 0.00 C ATOM 1078 C MET A 72 -8.377 -4.313 -6.341 1.00 0.00 C ATOM 1079 O MET A 72 -8.250 -4.699 -7.502 1.00 0.00 O ATOM 1080 CB MET A 72 -7.315 -5.315 -4.313 1.00 0.00 C ATOM 1081 CG MET A 72 -6.060 -5.381 -3.440 1.00 0.00 C ATOM 1082 SD MET A 72 -5.211 -6.928 -3.709 1.00 0.00 S ATOM 1083 CE MET A 72 -3.772 -6.343 -4.587 1.00 0.00 C ATOM 0 H MET A 72 -7.021 -2.947 -3.774 1.00 0.00 H new ATOM 0 HA MET A 72 -6.268 -4.446 -5.991 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.182 -5.086 -3.693 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.497 -6.288 -4.769 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.398 -4.548 -3.676 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.332 -5.284 -2.389 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.392 -7.136 -5.232 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.043 -5.479 -5.195 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.001 -6.056 -3.872 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.522 -3.923 -5.800 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.753 -3.927 -6.572 1.00 0.00 C ATOM 1095 C ALA A 73 -10.525 -3.187 -7.892 1.00 0.00 C ATOM 1096 O ALA A 73 -10.881 -3.687 -8.958 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.878 -3.305 -5.742 1.00 0.00 C ATOM 0 H ALA A 73 -9.623 -3.602 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.051 -4.947 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.802 -3.308 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.020 -3.884 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.615 -2.279 -5.483 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.932 -2.007 -7.777 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.652 -1.194 -8.948 1.00 0.00 C ATOM 1105 C ARG A 74 -8.153 -0.904 -9.047 1.00 0.00 C ATOM 1106 O ARG A 74 -7.709 0.202 -8.742 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.418 0.130 -8.895 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.865 1.125 -9.918 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.307 2.370 -9.226 1.00 0.00 C ATOM 1110 NE ARG A 74 -7.862 2.506 -9.515 1.00 0.00 N ATOM 1111 CZ ARG A 74 -7.201 3.671 -9.508 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -7.851 4.809 -9.228 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -5.890 3.698 -9.783 1.00 0.00 N ATOM 0 H ARG A 74 -9.638 -1.595 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.976 -1.754 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.475 -0.049 -9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.347 0.555 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.080 0.649 -10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.654 1.414 -10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.840 3.257 -9.570 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.466 2.300 -8.150 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.336 1.660 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.849 4.788 -9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.347 5.696 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.396 2.832 -9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.386 4.585 -9.778 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.414 -1.918 -9.473 1.00 0.00 N ATOM 1128 CA LYS A 75 -5.974 -1.786 -9.616 1.00 0.00 C ATOM 1129 C LYS A 75 -5.650 -0.430 -10.247 1.00 0.00 C ATOM 1130 O LYS A 75 -5.320 0.523 -9.543 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.401 -2.976 -10.388 1.00 0.00 C ATOM 1132 CG LYS A 75 -4.705 -3.959 -9.444 1.00 0.00 C ATOM 1133 CD LYS A 75 -4.216 -5.194 -10.202 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.802 -6.474 -9.602 1.00 0.00 C ATOM 1135 NZ LYS A 75 -6.276 -6.482 -9.737 1.00 0.00 N ATOM 1136 OXT LYS A 75 -5.756 -0.387 -11.567 1.00 0.00 O ATOM 0 H LYS A 75 -7.785 -2.834 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.491 -1.807 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.202 -3.486 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.692 -2.621 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.861 -3.468 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.394 -4.261 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.500 -5.117 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.127 -5.238 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.380 -7.344 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.527 -6.549 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.621 -7.463 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.700 -5.950 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.544 -6.039 -10.639 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.450 -0.595 7.848 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.492 5.660 6.003 1.00 0.00 CE