USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 146:sc= 0.818 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0.422 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 27 GLN : amide:sc= -0.534 K(o=-0.53,f=-1.1) USER MOD Set 3.1: A 26 GLN : amide:sc= -0.123 K(o=-0.57,f=-5) USER MOD Set 3.2: A 28 SER OG : rot -151:sc= -0.448! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.00433 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -3.52 K(o=-3.5,f=-4.7!) USER MOD Single : A 6 THR OG1 : rot -169:sc= -0.916 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 12 MET CE :methyl -170:sc= 0 (180deg=-0.11) USER MOD Single : A 16 GLN : amide:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ 139:sc= -0.374 (180deg=-1.48!) USER MOD Single : A 19 THR OG1 : rot -75:sc= -0.48! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.71) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.833 K(o=-0.83,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0759 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0457 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.526 16.127 1.410 1.00 0.00 N ATOM 2 CA MET A 1 3.575 14.761 1.991 1.00 0.00 C ATOM 3 C MET A 1 2.569 13.837 1.311 1.00 0.00 C ATOM 4 O MET A 1 1.444 14.240 1.012 1.00 0.00 O ATOM 5 CB MET A 1 3.273 14.856 3.489 1.00 0.00 C ATOM 6 CG MET A 1 3.299 13.516 4.202 1.00 0.00 C ATOM 7 SD MET A 1 3.694 13.669 5.955 1.00 0.00 S ATOM 8 CE MET A 1 4.037 11.961 6.375 1.00 0.00 C ATOM 0 H1 MET A 1 3.550 16.831 2.175 1.00 0.00 H new ATOM 0 H2 MET A 1 4.345 16.268 0.785 1.00 0.00 H new ATOM 0 H3 MET A 1 2.649 16.240 0.863 1.00 0.00 H new ATOM 0 HA MET A 1 4.568 14.341 1.833 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.000 15.520 3.956 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.292 15.311 3.625 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.328 13.032 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.033 12.868 3.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.298 11.891 7.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.153 11.354 6.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.869 11.598 5.771 1.00 0.00 H new ATOM 20 N GLU A 2 2.980 12.597 1.070 1.00 0.00 N ATOM 21 CA GLU A 2 2.115 11.616 0.425 1.00 0.00 C ATOM 22 C GLU A 2 1.744 10.499 1.395 1.00 0.00 C ATOM 23 O GLU A 2 2.430 10.273 2.391 1.00 0.00 O ATOM 24 CB GLU A 2 2.804 11.033 -0.811 1.00 0.00 C ATOM 25 CG GLU A 2 2.291 11.609 -2.121 1.00 0.00 C ATOM 26 CD GLU A 2 3.410 12.073 -3.032 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.398 12.639 -2.519 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.298 11.869 -4.259 1.00 0.00 O ATOM 0 H GLU A 2 3.907 12.247 1.312 1.00 0.00 H new ATOM 0 HA GLU A 2 1.200 12.120 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.876 11.215 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.664 9.952 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.697 10.855 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.628 12.448 -1.910 1.00 0.00 H new ATOM 35 N GLN A 3 0.654 9.801 1.094 1.00 0.00 N ATOM 36 CA GLN A 3 0.191 8.705 1.939 1.00 0.00 C ATOM 37 C GLN A 3 0.509 7.356 1.298 1.00 0.00 C ATOM 38 O GLN A 3 -0.299 6.427 1.350 1.00 0.00 O ATOM 39 CB GLN A 3 -1.314 8.832 2.192 1.00 0.00 C ATOM 40 CG GLN A 3 -1.663 9.088 3.649 1.00 0.00 C ATOM 41 CD GLN A 3 -1.656 7.821 4.482 1.00 0.00 C ATOM 42 OE1 GLN A 3 -0.599 7.254 4.762 1.00 0.00 O ATOM 43 NE2 GLN A 3 -2.839 7.367 4.880 1.00 0.00 N ATOM 0 H GLN A 3 0.075 9.974 0.272 1.00 0.00 H new ATOM 0 HA GLN A 3 0.714 8.762 2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.710 9.645 1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.808 7.918 1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.952 9.799 4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.648 9.551 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.690 7.869 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.897 6.517 5.441 1.00 0.00 H new ATOM 52 N ARG A 4 1.689 7.257 0.698 1.00 0.00 N ATOM 53 CA ARG A 4 2.117 6.022 0.048 1.00 0.00 C ATOM 54 C ARG A 4 2.657 5.029 1.069 1.00 0.00 C ATOM 55 O ARG A 4 3.867 4.901 1.251 1.00 0.00 O ATOM 56 CB ARG A 4 3.183 6.316 -1.010 1.00 0.00 C ATOM 57 CG ARG A 4 4.311 7.209 -0.516 1.00 0.00 C ATOM 58 CD ARG A 4 5.406 7.351 -1.561 1.00 0.00 C ATOM 59 NE ARG A 4 5.027 8.275 -2.627 1.00 0.00 N ATOM 60 CZ ARG A 4 5.897 8.858 -3.447 1.00 0.00 C ATOM 61 NH1 ARG A 4 7.197 8.618 -3.328 1.00 0.00 N ATOM 62 NH2 ARG A 4 5.467 9.687 -4.389 1.00 0.00 N ATOM 0 H ARG A 4 2.368 8.017 0.647 1.00 0.00 H new ATOM 0 HA ARG A 4 1.248 5.579 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.605 5.373 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.708 6.789 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.915 8.193 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.732 6.793 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.320 7.704 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.627 6.374 -1.990 1.00 0.00 H new ATOM 0 HE ARG A 4 4.037 8.486 -2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.534 7.983 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.859 9.068 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.469 9.877 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.134 10.134 -5.018 1.00 0.00 H new ATOM 76 N ILE A 5 1.744 4.337 1.738 1.00 0.00 N ATOM 77 CA ILE A 5 2.112 3.359 2.751 1.00 0.00 C ATOM 78 C ILE A 5 2.540 2.047 2.122 1.00 0.00 C ATOM 79 O ILE A 5 2.294 1.793 0.944 1.00 0.00 O ATOM 80 CB ILE A 5 0.939 3.084 3.711 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.290 4.396 4.122 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.412 2.314 4.935 1.00 0.00 C ATOM 83 CD1 ILE A 5 -1.206 4.301 4.318 1.00 0.00 C ATOM 0 H ILE A 5 0.739 4.436 1.596 1.00 0.00 H new ATOM 0 HA ILE A 5 2.948 3.783 3.308 1.00 0.00 H new ATOM 0 HB ILE A 5 0.200 2.471 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.747 4.742 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.501 5.149 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.567 2.131 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.841 1.362 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.168 2.897 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.597 5.276 4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.676 3.986 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.425 3.573 5.099 1.00 0.00 H new ATOM 95 N THR A 6 3.177 1.217 2.929 1.00 0.00 N ATOM 96 CA THR A 6 3.648 -0.086 2.478 1.00 0.00 C ATOM 97 C THR A 6 2.515 -1.107 2.502 1.00 0.00 C ATOM 98 O THR A 6 1.678 -1.098 3.405 1.00 0.00 O ATOM 99 CB THR A 6 4.808 -0.567 3.354 1.00 0.00 C ATOM 100 OG1 THR A 6 4.843 0.144 4.579 1.00 0.00 O ATOM 101 CG2 THR A 6 6.161 -0.409 2.693 1.00 0.00 C ATOM 0 H THR A 6 3.382 1.422 3.907 1.00 0.00 H new ATOM 0 HA THR A 6 4.001 0.016 1.452 1.00 0.00 H new ATOM 0 HB THR A 6 4.623 -1.628 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.682 -0.050 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.939 -0.768 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.185 -0.988 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.335 0.643 2.466 1.00 0.00 H new ATOM 109 N LEU A 7 2.490 -1.985 1.504 1.00 0.00 N ATOM 110 CA LEU A 7 1.457 -3.010 1.412 1.00 0.00 C ATOM 111 C LEU A 7 1.403 -3.848 2.686 1.00 0.00 C ATOM 112 O LEU A 7 0.326 -4.218 3.153 1.00 0.00 O ATOM 113 CB LEU A 7 1.714 -3.914 0.203 1.00 0.00 C ATOM 114 CG LEU A 7 0.598 -4.911 -0.107 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.619 -4.193 -0.671 1.00 0.00 C ATOM 116 CD2 LEU A 7 1.088 -5.975 -1.077 1.00 0.00 C ATOM 0 H LEU A 7 3.174 -2.007 0.747 1.00 0.00 H new ATOM 0 HA LEU A 7 0.496 -2.511 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.874 -3.286 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.638 -4.467 0.372 1.00 0.00 H new ATOM 0 HG LEU A 7 0.307 -5.401 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.403 -4.919 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.984 -3.469 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.343 -3.675 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.280 -6.676 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.407 -5.502 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.928 -6.511 -0.635 1.00 0.00 H new ATOM 128 N LYS A 8 2.573 -4.142 3.243 1.00 0.00 N ATOM 129 CA LYS A 8 2.661 -4.934 4.462 1.00 0.00 C ATOM 130 C LYS A 8 2.046 -4.188 5.642 1.00 0.00 C ATOM 131 O LYS A 8 1.402 -4.790 6.502 1.00 0.00 O ATOM 132 CB LYS A 8 4.120 -5.277 4.767 1.00 0.00 C ATOM 133 CG LYS A 8 4.285 -6.264 5.911 1.00 0.00 C ATOM 134 CD LYS A 8 5.748 -6.604 6.146 1.00 0.00 C ATOM 135 CE LYS A 8 5.903 -7.763 7.117 1.00 0.00 C ATOM 136 NZ LYS A 8 6.630 -7.360 8.353 1.00 0.00 N ATOM 0 H LYS A 8 3.473 -3.843 2.869 1.00 0.00 H new ATOM 0 HA LYS A 8 2.102 -5.857 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.582 -5.691 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.658 -4.360 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.857 -5.843 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.729 -7.175 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.220 -6.858 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.267 -5.729 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.918 -8.147 7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.440 -8.576 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.715 -8.179 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.579 -7.018 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.105 -6.602 8.833 1.00 0.00 H new ATOM 150 N ASP A 9 2.250 -2.875 5.678 1.00 0.00 N ATOM 151 CA ASP A 9 1.715 -2.047 6.753 1.00 0.00 C ATOM 152 C ASP A 9 0.205 -1.886 6.622 1.00 0.00 C ATOM 153 O ASP A 9 -0.540 -2.128 7.572 1.00 0.00 O ATOM 154 CB ASP A 9 2.386 -0.672 6.748 1.00 0.00 C ATOM 155 CG ASP A 9 3.815 -0.722 7.253 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.199 -1.750 7.852 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.552 0.266 7.049 1.00 0.00 O ATOM 0 H ASP A 9 2.782 -2.362 4.975 1.00 0.00 H new ATOM 0 HA ASP A 9 1.927 -2.547 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.376 -0.270 5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.808 0.013 7.369 1.00 0.00 H new ATOM 162 N TYR A 10 -0.241 -1.475 5.440 1.00 0.00 N ATOM 163 CA TYR A 10 -1.664 -1.281 5.187 1.00 0.00 C ATOM 164 C TYR A 10 -2.435 -2.582 5.380 1.00 0.00 C ATOM 165 O TYR A 10 -3.591 -2.573 5.806 1.00 0.00 O ATOM 166 CB TYR A 10 -1.884 -0.749 3.769 1.00 0.00 C ATOM 167 CG TYR A 10 -3.318 -0.362 3.485 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.307 -1.330 3.361 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.683 0.971 3.341 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.618 -0.981 3.101 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.992 1.328 3.081 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.955 0.349 2.962 1.00 0.00 C ATOM 173 OH TYR A 10 -7.260 0.700 2.703 1.00 0.00 O ATOM 0 H TYR A 10 0.361 -1.270 4.643 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.038 -0.550 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.244 0.119 3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.572 -1.509 3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.046 -2.372 3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.931 1.741 3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.375 -1.746 3.007 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.259 2.369 2.972 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.380 1.658 2.869 1.00 0.00 H new ATOM 183 N ALA A 11 -1.789 -3.700 5.065 1.00 0.00 N ATOM 184 CA ALA A 11 -2.416 -5.009 5.204 1.00 0.00 C ATOM 185 C ALA A 11 -2.625 -5.360 6.673 1.00 0.00 C ATOM 186 O ALA A 11 -3.731 -5.712 7.085 1.00 0.00 O ATOM 187 CB ALA A 11 -1.571 -6.074 4.521 1.00 0.00 C ATOM 0 H ALA A 11 -0.832 -3.726 4.712 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.393 -4.972 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.051 -7.046 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.474 -5.837 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.582 -6.103 4.979 1.00 0.00 H new ATOM 193 N MET A 12 -1.557 -5.264 7.457 1.00 0.00 N ATOM 194 CA MET A 12 -1.622 -5.574 8.879 1.00 0.00 C ATOM 195 C MET A 12 -2.319 -4.460 9.654 1.00 0.00 C ATOM 196 O MET A 12 -2.853 -4.685 10.741 1.00 0.00 O ATOM 197 CB MET A 12 -0.214 -5.801 9.435 1.00 0.00 C ATOM 198 CG MET A 12 0.047 -7.238 9.861 1.00 0.00 C ATOM 199 SD MET A 12 1.214 -7.354 11.230 1.00 0.00 S ATOM 200 CE MET A 12 2.645 -6.540 10.524 1.00 0.00 C ATOM 0 H MET A 12 -0.635 -4.974 7.131 1.00 0.00 H new ATOM 0 HA MET A 12 -2.205 -6.487 8.999 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.517 -5.517 8.678 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.060 -5.143 10.290 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.895 -7.704 10.151 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.433 -7.801 9.011 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.506 -6.686 11.177 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.858 -6.964 9.543 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.444 -5.474 10.422 1.00 0.00 H new ATOM 210 N ARG A 13 -2.308 -3.258 9.092 1.00 0.00 N ATOM 211 CA ARG A 13 -2.935 -2.107 9.729 1.00 0.00 C ATOM 212 C ARG A 13 -4.399 -1.982 9.322 1.00 0.00 C ATOM 213 O ARG A 13 -5.298 -2.078 10.157 1.00 0.00 O ATOM 214 CB ARG A 13 -2.185 -0.825 9.366 1.00 0.00 C ATOM 215 CG ARG A 13 -2.511 0.349 10.275 1.00 0.00 C ATOM 216 CD ARG A 13 -1.978 0.132 11.682 1.00 0.00 C ATOM 217 NE ARG A 13 -2.964 0.481 12.702 1.00 0.00 N ATOM 218 CZ ARG A 13 -3.214 1.728 13.097 1.00 0.00 C ATOM 219 NH1 ARG A 13 -2.555 2.746 12.560 1.00 0.00 N ATOM 220 NH2 ARG A 13 -4.126 1.955 14.031 1.00 0.00 N ATOM 0 H ARG A 13 -1.870 -3.055 8.193 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.890 -2.257 10.808 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.113 -1.018 9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.422 -0.554 8.337 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.083 1.261 9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.591 0.492 10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.686 -0.911 11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.080 0.733 11.826 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.492 -0.275 13.137 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.852 2.576 11.840 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.751 3.699 12.867 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.636 1.175 14.447 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.318 2.910 14.335 1.00 0.00 H new ATOM 234 N PHE A 14 -4.631 -1.757 8.032 1.00 0.00 N ATOM 235 CA PHE A 14 -5.971 -1.607 7.507 1.00 0.00 C ATOM 236 C PHE A 14 -6.534 -2.937 7.012 1.00 0.00 C ATOM 237 O PHE A 14 -7.453 -2.963 6.192 1.00 0.00 O ATOM 238 CB PHE A 14 -5.938 -0.597 6.368 1.00 0.00 C ATOM 239 CG PHE A 14 -5.624 0.798 6.825 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.624 1.631 7.290 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.325 1.275 6.795 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.336 2.905 7.712 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.034 2.546 7.216 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.042 3.358 7.673 1.00 0.00 C ATOM 0 H PHE A 14 -3.895 -1.675 7.330 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.623 -1.256 8.306 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.193 -0.909 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.903 -0.598 5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.643 1.276 7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.531 0.637 6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.125 3.548 8.073 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.017 2.907 7.188 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.815 4.361 8.004 1.00 0.00 H new ATOM 254 N GLY A 15 -5.982 -4.039 7.511 1.00 0.00 N ATOM 255 CA GLY A 15 -6.449 -5.351 7.101 1.00 0.00 C ATOM 256 C GLY A 15 -6.282 -5.584 5.613 1.00 0.00 C ATOM 257 O GLY A 15 -6.217 -4.636 4.831 1.00 0.00 O ATOM 0 H GLY A 15 -5.221 -4.047 8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.901 -6.117 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.500 -5.459 7.367 1.00 0.00 H new ATOM 261 N GLN A 16 -6.211 -6.852 5.219 1.00 0.00 N ATOM 262 CA GLN A 16 -6.050 -7.209 3.814 1.00 0.00 C ATOM 263 C GLN A 16 -7.375 -7.096 3.067 1.00 0.00 C ATOM 264 O GLN A 16 -7.401 -6.803 1.872 1.00 0.00 O ATOM 265 CB GLN A 16 -5.500 -8.631 3.688 1.00 0.00 C ATOM 266 CG GLN A 16 -3.980 -8.693 3.658 1.00 0.00 C ATOM 267 CD GLN A 16 -3.404 -9.527 4.788 1.00 0.00 C ATOM 268 OE1 GLN A 16 -4.131 -10.223 5.495 1.00 0.00 O ATOM 269 NE2 GLN A 16 -2.090 -9.460 4.959 1.00 0.00 N ATOM 0 H GLN A 16 -6.262 -7.649 5.853 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.342 -6.511 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.864 -9.228 4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.892 -9.085 2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.656 -9.109 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.578 -7.682 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.526 -8.869 4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.644 -9.999 5.701 1.00 0.00 H new ATOM 278 N THR A 17 -8.472 -7.330 3.778 1.00 0.00 N ATOM 279 CA THR A 17 -9.800 -7.255 3.182 1.00 0.00 C ATOM 280 C THR A 17 -10.110 -5.835 2.722 1.00 0.00 C ATOM 281 O THR A 17 -10.530 -5.618 1.584 1.00 0.00 O ATOM 282 CB THR A 17 -10.850 -7.723 4.182 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.570 -9.034 4.636 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.260 -7.731 3.612 1.00 0.00 C ATOM 0 H THR A 17 -8.468 -7.573 4.769 1.00 0.00 H new ATOM 0 HA THR A 17 -9.821 -7.909 2.310 1.00 0.00 H new ATOM 0 HB THR A 17 -10.804 -7.004 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.257 -9.312 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.959 -8.074 4.375 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.531 -6.723 3.298 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.302 -8.402 2.754 1.00 0.00 H new ATOM 292 N LYS A 18 -9.913 -4.870 3.615 1.00 0.00 N ATOM 293 CA LYS A 18 -10.170 -3.471 3.300 1.00 0.00 C ATOM 294 C LYS A 18 -9.312 -3.004 2.133 1.00 0.00 C ATOM 295 O LYS A 18 -9.742 -2.190 1.317 1.00 0.00 O ATOM 296 CB LYS A 18 -9.914 -2.593 4.525 1.00 0.00 C ATOM 297 CG LYS A 18 -10.710 -1.302 4.530 1.00 0.00 C ATOM 298 CD LYS A 18 -10.170 -0.315 5.554 1.00 0.00 C ATOM 299 CE LYS A 18 -11.260 0.631 6.038 1.00 0.00 C ATOM 300 NZ LYS A 18 -12.470 -0.103 6.501 1.00 0.00 N ATOM 0 H LYS A 18 -9.576 -5.033 4.564 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.217 -3.380 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.154 -3.161 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.852 -2.354 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.679 -0.851 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.755 -1.519 4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.754 -0.859 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.355 0.260 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.873 1.243 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.535 1.311 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.838 0.344 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.198 -0.075 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.220 -1.092 6.703 1.00 0.00 H new ATOM 314 N THR A 19 -8.092 -3.526 2.059 1.00 0.00 N ATOM 315 CA THR A 19 -7.169 -3.160 0.990 1.00 0.00 C ATOM 316 C THR A 19 -7.724 -3.566 -0.371 1.00 0.00 C ATOM 317 O THR A 19 -7.786 -2.754 -1.294 1.00 0.00 O ATOM 318 CB THR A 19 -5.808 -3.823 1.215 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.482 -3.843 2.594 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.678 -3.128 0.486 1.00 0.00 C ATOM 0 H THR A 19 -7.720 -4.203 2.725 1.00 0.00 H new ATOM 0 HA THR A 19 -7.047 -2.077 1.005 1.00 0.00 H new ATOM 0 HB THR A 19 -5.908 -4.833 0.819 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.217 -2.944 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.741 -3.648 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.876 -3.138 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.602 -2.097 0.831 1.00 0.00 H new ATOM 328 N ALA A 20 -8.128 -4.826 -0.488 1.00 0.00 N ATOM 329 CA ALA A 20 -8.679 -5.340 -1.736 1.00 0.00 C ATOM 330 C ALA A 20 -9.994 -4.651 -2.084 1.00 0.00 C ATOM 331 O ALA A 20 -10.340 -4.522 -3.256 1.00 0.00 O ATOM 332 CB ALA A 20 -8.878 -6.844 -1.646 1.00 0.00 C ATOM 0 H ALA A 20 -8.084 -5.511 0.267 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.966 -5.125 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.290 -7.213 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.920 -7.327 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.567 -7.072 -0.833 1.00 0.00 H new ATOM 338 N LYS A 21 -10.710 -4.208 -1.059 1.00 0.00 N ATOM 339 CA LYS A 21 -11.990 -3.534 -1.258 1.00 0.00 C ATOM 340 C LYS A 21 -11.780 -2.084 -1.683 1.00 0.00 C ATOM 341 O LYS A 21 -12.490 -1.573 -2.547 1.00 0.00 O ATOM 342 CB LYS A 21 -12.820 -3.588 0.025 1.00 0.00 C ATOM 343 CG LYS A 21 -14.290 -3.875 -0.219 1.00 0.00 C ATOM 344 CD LYS A 21 -14.600 -5.363 -0.119 1.00 0.00 C ATOM 345 CE LYS A 21 -15.880 -5.620 0.652 1.00 0.00 C ATOM 346 NZ LYS A 21 -15.630 -5.741 2.115 1.00 0.00 N ATOM 0 H LYS A 21 -10.429 -4.302 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.528 -4.051 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.411 -4.357 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.725 -2.638 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.892 -3.329 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.572 -3.510 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.688 -5.784 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.772 -5.875 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.583 -4.808 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.347 -6.534 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.529 -5.916 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.978 -6.532 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.208 -4.859 2.469 1.00 0.00 H new ATOM 360 N ASP A 22 -10.800 -1.425 -1.072 1.00 0.00 N ATOM 361 CA ASP A 22 -10.500 -0.035 -1.388 1.00 0.00 C ATOM 362 C ASP A 22 -9.800 0.078 -2.737 1.00 0.00 C ATOM 363 O ASP A 22 -9.982 1.056 -3.463 1.00 0.00 O ATOM 364 CB ASP A 22 -9.637 0.580 -0.289 1.00 0.00 C ATOM 365 CG ASP A 22 -10.440 1.425 0.679 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.370 2.129 0.225 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.140 1.382 1.892 1.00 0.00 O ATOM 0 H ASP A 22 -10.200 -1.833 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.440 0.513 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.134 -0.216 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.860 1.195 -0.744 1.00 0.00 H new ATOM 372 N LEU A 23 -8.995 -0.927 -3.065 1.00 0.00 N ATOM 373 CA LEU A 23 -8.263 -0.938 -4.327 1.00 0.00 C ATOM 374 C LEU A 23 -9.134 -1.478 -5.457 1.00 0.00 C ATOM 375 O LEU A 23 -8.996 -1.068 -6.610 1.00 0.00 O ATOM 376 CB LEU A 23 -6.996 -1.784 -4.196 1.00 0.00 C ATOM 377 CG LEU A 23 -5.776 -1.041 -3.643 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.619 -1.306 -2.154 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.519 -1.447 -4.395 1.00 0.00 C ATOM 0 H LEU A 23 -8.833 -1.744 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.985 0.088 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.210 -2.634 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.743 -2.187 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.930 0.029 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.747 -0.770 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.510 -0.963 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.487 -2.375 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.662 -0.909 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.360 -2.520 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.632 -1.204 -5.451 1.00 0.00 H new ATOM 391 N GLY A 24 -10.030 -2.396 -5.119 1.00 0.00 N ATOM 392 CA GLY A 24 -10.910 -2.976 -6.117 1.00 0.00 C ATOM 393 C GLY A 24 -10.300 -4.199 -6.782 1.00 0.00 C ATOM 394 O GLY A 24 -10.620 -4.510 -7.930 1.00 0.00 O ATOM 0 H GLY A 24 -10.164 -2.750 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.855 -3.253 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.138 -2.228 -6.876 1.00 0.00 H new ATOM 398 N VAL A 25 -9.435 -4.893 -6.059 1.00 0.00 N ATOM 399 CA VAL A 25 -8.787 -6.087 -6.585 1.00 0.00 C ATOM 400 C VAL A 25 -9.271 -7.340 -5.859 1.00 0.00 C ATOM 401 O VAL A 25 -10.110 -7.264 -4.968 1.00 0.00 O ATOM 402 CB VAL A 25 -7.254 -5.994 -6.458 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.689 -5.025 -7.484 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.861 -5.579 -5.049 1.00 0.00 C ATOM 0 H VAL A 25 -9.165 -4.651 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.054 -6.155 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.831 -6.979 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.605 -4.974 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.939 -5.370 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.117 -4.035 -7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.775 -5.518 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.295 -4.605 -4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.231 -6.316 -4.336 1.00 0.00 H new ATOM 414 N GLN A 26 -8.729 -8.489 -6.247 1.00 0.00 N ATOM 415 CA GLN A 26 -9.104 -9.756 -5.633 1.00 0.00 C ATOM 416 C GLN A 26 -8.098 -10.156 -4.560 1.00 0.00 C ATOM 417 O GLN A 26 -6.891 -9.973 -4.724 1.00 0.00 O ATOM 418 CB GLN A 26 -9.203 -10.855 -6.693 1.00 0.00 C ATOM 419 CG GLN A 26 -8.048 -10.855 -7.682 1.00 0.00 C ATOM 420 CD GLN A 26 -8.059 -12.068 -8.591 1.00 0.00 C ATOM 421 OE1 GLN A 26 -8.575 -13.125 -8.230 1.00 0.00 O ATOM 422 NE2 GLN A 26 -7.488 -11.921 -9.782 1.00 0.00 N ATOM 0 H GLN A 26 -8.028 -8.568 -6.984 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.080 -9.629 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.244 -11.824 -6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.138 -10.737 -7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.094 -9.951 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.106 -10.824 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.072 -11.027 -10.041 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.466 -12.703 -10.437 1.00 0.00 H new ATOM 431 N GLN A 27 -8.604 -10.699 -3.459 1.00 0.00 N ATOM 432 CA GLN A 27 -7.754 -11.125 -2.351 1.00 0.00 C ATOM 433 C GLN A 27 -6.678 -12.099 -2.820 1.00 0.00 C ATOM 434 O GLN A 27 -5.631 -12.235 -2.187 1.00 0.00 O ATOM 435 CB GLN A 27 -8.599 -11.772 -1.251 1.00 0.00 C ATOM 436 CG GLN A 27 -9.806 -10.943 -0.845 1.00 0.00 C ATOM 437 CD GLN A 27 -9.670 -10.357 0.548 1.00 0.00 C ATOM 438 OE1 GLN A 27 -8.563 -10.185 1.056 1.00 0.00 O ATOM 439 NE2 GLN A 27 -10.800 -10.045 1.171 1.00 0.00 N ATOM 0 H GLN A 27 -9.601 -10.855 -3.309 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.260 -10.239 -1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.938 -12.750 -1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.973 -11.940 -0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.945 -10.135 -1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.700 -11.565 -0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.697 -10.205 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.772 -9.645 2.109 1.00 0.00 H new ATOM 448 N SER A 28 -6.943 -12.774 -3.931 1.00 0.00 N ATOM 449 CA SER A 28 -5.997 -13.737 -4.485 1.00 0.00 C ATOM 450 C SER A 28 -4.685 -13.054 -4.858 1.00 0.00 C ATOM 451 O SER A 28 -3.616 -13.659 -4.786 1.00 0.00 O ATOM 452 CB SER A 28 -6.597 -14.426 -5.712 1.00 0.00 C ATOM 453 OG SER A 28 -6.439 -13.631 -6.874 1.00 0.00 O ATOM 0 H SER A 28 -7.805 -12.673 -4.467 1.00 0.00 H new ATOM 0 HA SER A 28 -5.791 -14.488 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.116 -15.393 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.656 -14.620 -5.542 1.00 0.00 H new ATOM 0 HG SER A 28 -7.175 -13.811 -7.496 1.00 0.00 H new ATOM 459 N ALA A 29 -4.775 -11.789 -5.258 1.00 0.00 N ATOM 460 CA ALA A 29 -3.595 -11.024 -5.643 1.00 0.00 C ATOM 461 C ALA A 29 -2.888 -10.454 -4.418 1.00 0.00 C ATOM 462 O ALA A 29 -1.659 -10.431 -4.354 1.00 0.00 O ATOM 463 CB ALA A 29 -3.981 -9.906 -6.600 1.00 0.00 C ATOM 0 H ALA A 29 -5.652 -11.273 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.903 -11.698 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.091 -9.343 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.436 -10.333 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.694 -9.240 -6.113 1.00 0.00 H new ATOM 469 N ILE A 30 -3.672 -9.999 -3.445 1.00 0.00 N ATOM 470 CA ILE A 30 -3.115 -9.434 -2.222 1.00 0.00 C ATOM 471 C ILE A 30 -2.260 -10.462 -1.494 1.00 0.00 C ATOM 472 O ILE A 30 -1.124 -10.180 -1.111 1.00 0.00 O ATOM 473 CB ILE A 30 -4.223 -8.934 -1.272 1.00 0.00 C ATOM 474 CG1 ILE A 30 -5.207 -8.034 -2.021 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.612 -8.194 -0.091 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.550 -6.865 -2.720 1.00 0.00 C ATOM 0 H ILE A 30 -4.691 -10.011 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.496 -8.586 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.771 -9.797 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.744 -8.632 -2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.948 -7.655 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.405 -7.847 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.951 -8.866 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.042 -7.339 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.310 -6.272 -3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.037 -6.244 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.830 -7.235 -3.449 1.00 0.00 H new ATOM 488 N ASN A 31 -2.808 -11.658 -1.312 1.00 0.00 N ATOM 489 CA ASN A 31 -2.088 -12.729 -0.636 1.00 0.00 C ATOM 490 C ASN A 31 -0.813 -13.075 -1.395 1.00 0.00 C ATOM 491 O ASN A 31 0.217 -13.380 -0.794 1.00 0.00 O ATOM 492 CB ASN A 31 -2.980 -13.969 -0.507 1.00 0.00 C ATOM 493 CG ASN A 31 -3.418 -14.218 0.922 1.00 0.00 C ATOM 494 OD1 ASN A 31 -3.993 -13.341 1.569 1.00 0.00 O ATOM 495 ND2 ASN A 31 -3.148 -15.418 1.424 1.00 0.00 N ATOM 0 H ASN A 31 -3.746 -11.909 -1.623 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.816 -12.387 0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.860 -13.847 -1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.441 -14.841 -0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.419 -15.643 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.670 -16.114 0.852 1.00 0.00 H new ATOM 502 N LYS A 32 -0.891 -13.024 -2.721 1.00 0.00 N ATOM 503 CA LYS A 32 0.255 -13.326 -3.569 1.00 0.00 C ATOM 504 C LYS A 32 1.357 -12.295 -3.380 1.00 0.00 C ATOM 505 O LYS A 32 2.542 -12.603 -3.498 1.00 0.00 O ATOM 506 CB LYS A 32 -0.173 -13.374 -5.038 1.00 0.00 C ATOM 507 CG LYS A 32 -0.156 -14.772 -5.630 1.00 0.00 C ATOM 508 CD LYS A 32 -1.329 -14.995 -6.571 1.00 0.00 C ATOM 509 CE LYS A 32 -1.894 -16.398 -6.433 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.115 -17.391 -7.225 1.00 0.00 N ATOM 0 H LYS A 32 -1.738 -12.776 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 32 0.645 -14.302 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.178 -12.962 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.488 -12.733 -5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.778 -14.928 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.188 -15.508 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.110 -14.265 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.008 -14.830 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.891 -16.689 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.933 -16.405 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.532 -18.336 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.139 -17.128 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.129 -17.403 -6.893 1.00 0.00 H new ATOM 524 N TRP A 33 0.953 -11.068 -3.089 1.00 0.00 N ATOM 525 CA TRP A 33 1.886 -9.983 -2.884 1.00 0.00 C ATOM 526 C TRP A 33 2.660 -10.167 -1.585 1.00 0.00 C ATOM 527 O TRP A 33 3.883 -10.032 -1.553 1.00 0.00 O ATOM 528 CB TRP A 33 1.100 -8.684 -2.865 1.00 0.00 C ATOM 529 CG TRP A 33 0.519 -8.347 -4.189 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.843 -8.926 -5.364 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.492 -7.384 -4.475 1.00 0.00 C ATOM 532 NE1 TRP A 33 0.110 -8.378 -6.385 1.00 0.00 N ATOM 533 CE2 TRP A 33 -0.721 -7.422 -5.862 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.220 -6.491 -3.694 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -1.651 -6.599 -6.484 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.148 -5.671 -4.311 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.355 -5.729 -5.695 1.00 0.00 C ATOM 0 H TRP A 33 -0.027 -10.802 -2.990 1.00 0.00 H new ATOM 0 HA TRP A 33 2.617 -9.965 -3.692 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.299 -8.759 -2.130 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.753 -7.873 -2.542 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.576 -9.710 -5.483 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.173 -8.638 -7.369 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.063 -6.439 -2.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.813 -6.644 -7.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.722 -4.976 -3.716 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.084 -5.075 -6.149 1.00 0.00 H new ATOM 548 N ILE A 34 1.937 -10.482 -0.517 1.00 0.00 N ATOM 549 CA ILE A 34 2.550 -10.697 0.787 1.00 0.00 C ATOM 550 C ILE A 34 3.243 -12.055 0.848 1.00 0.00 C ATOM 551 O ILE A 34 4.195 -12.242 1.605 1.00 0.00 O ATOM 552 CB ILE A 34 1.509 -10.613 1.919 1.00 0.00 C ATOM 553 CG1 ILE A 34 0.630 -9.373 1.746 1.00 0.00 C ATOM 554 CG2 ILE A 34 2.201 -10.594 3.274 1.00 0.00 C ATOM 555 CD1 ILE A 34 1.395 -8.071 1.848 1.00 0.00 C ATOM 0 H ILE A 34 0.923 -10.594 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 34 3.288 -9.907 0.925 1.00 0.00 H new ATOM 0 HB ILE A 34 0.871 -11.495 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.136 -9.420 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.154 -9.385 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.452 -10.534 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.786 -11.505 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.861 -9.728 3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.709 -7.234 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.867 -8.002 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.161 -8.038 1.074 1.00 0.00 H new ATOM 567 N HIS A 35 2.758 -12.999 0.045 1.00 0.00 N ATOM 568 CA HIS A 35 3.332 -14.340 0.007 1.00 0.00 C ATOM 569 C HIS A 35 4.802 -14.292 -0.391 1.00 0.00 C ATOM 570 O HIS A 35 5.602 -15.124 0.037 1.00 0.00 O ATOM 571 CB HIS A 35 2.554 -15.223 -0.973 1.00 0.00 C ATOM 572 CG HIS A 35 1.716 -16.279 -0.317 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.664 -16.473 1.049 1.00 0.00 N ATOM 574 CD2 HIS A 35 0.891 -17.208 -0.856 1.00 0.00 C ATOM 575 CE1 HIS A 35 0.846 -17.475 1.319 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.363 -17.936 0.180 1.00 0.00 N ATOM 0 H HIS A 35 1.970 -12.860 -0.587 1.00 0.00 H new ATOM 0 HA HIS A 35 3.260 -14.767 1.007 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.909 -14.590 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.260 -15.704 -1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.687 -17.350 -1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.612 -17.853 2.304 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.296 -18.709 0.086 1.00 0.00 H new ATOM 585 N ALA A 36 5.145 -13.311 -1.211 1.00 0.00 N ATOM 586 CA ALA A 36 6.517 -13.144 -1.674 1.00 0.00 C ATOM 587 C ALA A 36 7.150 -11.871 -1.112 1.00 0.00 C ATOM 588 O ALA A 36 8.282 -11.530 -1.455 1.00 0.00 O ATOM 589 CB ALA A 36 6.558 -13.126 -3.195 1.00 0.00 C ATOM 0 H ALA A 36 4.491 -12.616 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 36 7.098 -13.991 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.588 -13.001 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.163 -14.066 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.953 -12.299 -3.566 1.00 0.00 H new ATOM 595 N GLY A 37 6.420 -11.174 -0.245 1.00 0.00 N ATOM 596 CA GLY A 37 6.937 -9.951 0.344 1.00 0.00 C ATOM 597 C GLY A 37 7.347 -8.929 -0.698 1.00 0.00 C ATOM 598 O GLY A 37 8.378 -8.270 -0.559 1.00 0.00 O ATOM 0 H GLY A 37 5.482 -11.434 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.178 -9.516 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.796 -10.189 0.971 1.00 0.00 H new ATOM 602 N ARG A 38 6.540 -8.796 -1.746 1.00 0.00 N ATOM 603 CA ARG A 38 6.826 -7.849 -2.816 1.00 0.00 C ATOM 604 C ARG A 38 6.644 -6.412 -2.333 1.00 0.00 C ATOM 605 O ARG A 38 5.567 -6.036 -1.869 1.00 0.00 O ATOM 606 CB ARG A 38 5.918 -8.113 -4.017 1.00 0.00 C ATOM 607 CG ARG A 38 6.478 -7.587 -5.329 1.00 0.00 C ATOM 608 CD ARG A 38 5.527 -6.600 -5.989 1.00 0.00 C ATOM 609 NE ARG A 38 6.017 -6.155 -7.291 1.00 0.00 N ATOM 610 CZ ARG A 38 5.928 -6.879 -8.403 1.00 0.00 C ATOM 611 NH1 ARG A 38 5.368 -8.081 -8.378 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.401 -6.400 -9.547 1.00 0.00 N ATOM 0 H ARG A 38 5.683 -9.333 -1.876 1.00 0.00 H new ATOM 0 HA ARG A 38 7.864 -7.984 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.751 -9.186 -4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.946 -7.653 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.437 -7.103 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.665 -8.421 -6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.548 -7.065 -6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.392 -5.736 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 38 6.453 -5.235 -7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.002 -8.455 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.303 -8.631 -9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.833 -5.476 -9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.333 -6.956 -10.400 1.00 0.00 H new ATOM 626 N LYS A 39 7.702 -5.618 -2.447 1.00 0.00 N ATOM 627 CA LYS A 39 7.658 -4.222 -2.023 1.00 0.00 C ATOM 628 C LYS A 39 6.672 -3.429 -2.874 1.00 0.00 C ATOM 629 O LYS A 39 6.829 -3.328 -4.091 1.00 0.00 O ATOM 630 CB LYS A 39 9.054 -3.598 -2.111 1.00 0.00 C ATOM 631 CG LYS A 39 9.670 -3.294 -0.755 1.00 0.00 C ATOM 632 CD LYS A 39 11.028 -2.626 -0.896 1.00 0.00 C ATOM 633 CE LYS A 39 11.394 -1.839 0.351 1.00 0.00 C ATOM 634 NZ LYS A 39 12.190 -2.655 1.309 1.00 0.00 N ATOM 0 H LYS A 39 8.600 -5.915 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 39 7.321 -4.189 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.712 -4.275 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.995 -2.676 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.002 -2.646 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.775 -4.218 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.789 -3.383 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.019 -1.960 -1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.963 -0.954 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.485 -1.490 0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.419 -2.082 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.637 -3.487 1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.070 -2.967 0.851 1.00 0.00 H new ATOM 648 N ILE A 40 5.657 -2.868 -2.225 1.00 0.00 N ATOM 649 CA ILE A 40 4.645 -2.084 -2.923 1.00 0.00 C ATOM 650 C ILE A 40 4.159 -0.924 -2.063 1.00 0.00 C ATOM 651 O ILE A 40 4.304 -0.940 -0.841 1.00 0.00 O ATOM 652 CB ILE A 40 3.436 -2.954 -3.323 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.906 -4.203 -4.070 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.462 -2.152 -4.173 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.772 -5.067 -4.579 1.00 0.00 C ATOM 0 H ILE A 40 5.514 -2.942 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 40 5.115 -1.692 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 40 2.918 -3.270 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.527 -3.900 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.535 -4.797 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.615 -2.781 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.107 -1.292 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.965 -1.808 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.180 -5.934 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.163 -5.400 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.155 -4.489 -5.267 1.00 0.00 H new ATOM 667 N PHE A 41 3.579 0.082 -2.709 1.00 0.00 N ATOM 668 CA PHE A 41 3.067 1.249 -2.002 1.00 0.00 C ATOM 669 C PHE A 41 1.659 1.597 -2.472 1.00 0.00 C ATOM 670 O PHE A 41 1.313 1.394 -3.636 1.00 0.00 O ATOM 671 CB PHE A 41 3.994 2.450 -2.210 1.00 0.00 C ATOM 672 CG PHE A 41 5.322 2.309 -1.523 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.450 2.585 -0.171 1.00 0.00 C ATOM 674 CD2 PHE A 41 6.443 1.901 -2.229 1.00 0.00 C ATOM 675 CE1 PHE A 41 6.671 2.458 0.465 1.00 0.00 C ATOM 676 CE2 PHE A 41 7.666 1.772 -1.598 1.00 0.00 C ATOM 677 CZ PHE A 41 7.780 2.051 -0.251 1.00 0.00 C ATOM 0 H PHE A 41 3.452 0.112 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 41 3.029 1.007 -0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.160 2.590 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.498 3.349 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.585 2.903 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.360 1.682 -3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.758 2.676 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.532 1.453 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.735 1.951 0.243 1.00 0.00 H new ATOM 687 N LEU A 42 0.852 2.126 -1.558 1.00 0.00 N ATOM 688 CA LEU A 42 -0.517 2.505 -1.879 1.00 0.00 C ATOM 689 C LEU A 42 -0.866 3.851 -1.253 1.00 0.00 C ATOM 690 O LEU A 42 -0.764 4.028 -0.039 1.00 0.00 O ATOM 691 CB LEU A 42 -1.496 1.429 -1.404 1.00 0.00 C ATOM 692 CG LEU A 42 -1.688 1.335 0.111 1.00 0.00 C ATOM 693 CD1 LEU A 42 -2.753 0.302 0.451 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.372 0.997 0.797 1.00 0.00 C ATOM 0 H LEU A 42 1.123 2.301 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.599 2.598 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.466 1.616 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.151 0.462 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.024 2.305 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.876 0.249 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.699 0.590 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.448 -0.673 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.529 0.934 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.004 0.040 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.361 1.775 0.582 1.00 0.00 H new ATOM 706 N THR A 43 -1.272 4.799 -2.090 1.00 0.00 N ATOM 707 CA THR A 43 -1.631 6.130 -1.618 1.00 0.00 C ATOM 708 C THR A 43 -3.115 6.211 -1.281 1.00 0.00 C ATOM 709 O THR A 43 -3.971 5.982 -2.135 1.00 0.00 O ATOM 710 CB THR A 43 -1.280 7.180 -2.674 1.00 0.00 C ATOM 711 OG1 THR A 43 0.003 6.931 -3.223 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.281 8.595 -2.135 1.00 0.00 C ATOM 0 H THR A 43 -1.361 4.670 -3.098 1.00 0.00 H new ATOM 0 HA THR A 43 -1.061 6.329 -0.710 1.00 0.00 H new ATOM 0 HB THR A 43 -2.058 7.096 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.011 7.191 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.024 9.289 -2.935 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.271 8.837 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.548 8.679 -1.333 1.00 0.00 H new ATOM 720 N ILE A 44 -3.411 6.540 -0.028 1.00 0.00 N ATOM 721 CA ILE A 44 -4.792 6.657 0.426 1.00 0.00 C ATOM 722 C ILE A 44 -5.332 8.061 0.180 1.00 0.00 C ATOM 723 O ILE A 44 -4.669 9.053 0.485 1.00 0.00 O ATOM 724 CB ILE A 44 -4.924 6.323 1.925 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.236 4.992 2.237 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.390 6.275 2.330 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.332 4.588 3.691 1.00 0.00 C ATOM 0 H ILE A 44 -2.713 6.730 0.691 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.376 5.938 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.433 7.108 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.680 4.210 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.185 5.061 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.467 6.038 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.852 7.244 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.903 5.509 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.823 3.636 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.862 5.351 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.380 4.486 3.972 1.00 0.00 H new ATOM 739 N ASN A 45 -6.538 8.138 -0.372 1.00 0.00 N ATOM 740 CA ASN A 45 -7.165 9.424 -0.660 1.00 0.00 C ATOM 741 C ASN A 45 -8.108 9.833 0.466 1.00 0.00 C ATOM 742 O ASN A 45 -8.524 9.005 1.274 1.00 0.00 O ATOM 743 CB ASN A 45 -7.931 9.359 -1.982 1.00 0.00 C ATOM 744 CG ASN A 45 -7.033 9.017 -3.155 1.00 0.00 C ATOM 745 OD1 ASN A 45 -6.236 9.841 -3.604 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.158 7.794 -3.660 1.00 0.00 N ATOM 0 H ASN A 45 -7.101 7.327 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.377 10.173 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.722 8.613 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.415 10.318 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.581 7.507 -4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.831 7.142 -3.257 1.00 0.00 H new ATOM 753 N ALA A 46 -8.444 11.120 0.511 1.00 0.00 N ATOM 754 CA ALA A 46 -9.340 11.641 1.535 1.00 0.00 C ATOM 755 C ALA A 46 -10.800 11.326 1.214 1.00 0.00 C ATOM 756 O ALA A 46 -11.690 11.638 2.000 1.00 0.00 O ATOM 757 CB ALA A 46 -9.146 13.143 1.688 1.00 0.00 C ATOM 0 H ALA A 46 -8.108 11.820 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.093 11.151 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.821 13.521 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.116 13.349 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.362 13.636 0.740 1.00 0.00 H new ATOM 763 N ASP A 47 -11.030 10.705 0.060 1.00 0.00 N ATOM 764 CA ASP A 47 -12.380 10.352 -0.356 1.00 0.00 C ATOM 765 C ASP A 47 -12.730 8.923 0.056 1.00 0.00 C ATOM 766 O ASP A 47 -13.900 8.553 0.133 1.00 0.00 O ATOM 767 CB ASP A 47 -12.540 10.507 -1.872 1.00 0.00 C ATOM 768 CG ASP A 47 -11.250 10.291 -2.636 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.750 9.145 -2.652 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.730 11.269 -3.216 1.00 0.00 O ATOM 0 H ASP A 47 -10.300 10.437 -0.600 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.066 11.035 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.287 9.797 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.921 11.505 -2.090 1.00 0.00 H new ATOM 775 N GLY A 48 -11.700 8.124 0.315 1.00 0.00 N ATOM 776 CA GLY A 48 -11.910 6.743 0.712 1.00 0.00 C ATOM 777 C GLY A 48 -11.390 5.756 -0.315 1.00 0.00 C ATOM 778 O GLY A 48 -11.670 4.560 -0.230 1.00 0.00 O ATOM 0 H GLY A 48 -10.722 8.408 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.415 6.564 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.975 6.572 0.869 1.00 0.00 H new ATOM 782 N SER A 49 -10.630 6.252 -1.288 1.00 0.00 N ATOM 783 CA SER A 49 -10.070 5.400 -2.331 1.00 0.00 C ATOM 784 C SER A 49 -8.600 5.122 -2.073 1.00 0.00 C ATOM 785 O SER A 49 -7.934 5.865 -1.352 1.00 0.00 O ATOM 786 CB SER A 49 -10.250 6.052 -3.700 1.00 0.00 C ATOM 787 OG SER A 49 -11.070 5.256 -4.542 1.00 0.00 O ATOM 0 H SER A 49 -10.388 7.239 -1.375 1.00 0.00 H new ATOM 0 HA SER A 49 -10.605 4.450 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.697 7.039 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.276 6.197 -4.168 1.00 0.00 H new ATOM 0 HG SER A 49 -11.171 5.696 -5.412 1.00 0.00 H new ATOM 793 N VAL A 50 -8.093 4.044 -2.664 1.00 0.00 N ATOM 794 CA VAL A 50 -6.694 3.669 -2.494 1.00 0.00 C ATOM 795 C VAL A 50 -6.160 2.971 -3.739 1.00 0.00 C ATOM 796 O VAL A 50 -6.778 2.037 -4.252 1.00 0.00 O ATOM 797 CB VAL A 50 -6.499 2.740 -1.277 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.051 2.764 -0.819 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.430 3.135 -0.139 1.00 0.00 C ATOM 0 H VAL A 50 -8.629 3.416 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.139 4.592 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.749 1.723 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.930 2.104 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.407 2.425 -1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.775 3.780 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.274 2.466 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.218 4.160 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.465 3.062 -0.474 1.00 0.00 H new ATOM 809 N TYR A 51 -5.008 3.425 -4.221 1.00 0.00 N ATOM 810 CA TYR A 51 -4.392 2.837 -5.406 1.00 0.00 C ATOM 811 C TYR A 51 -2.978 2.351 -5.102 1.00 0.00 C ATOM 812 O TYR A 51 -2.203 3.040 -4.440 1.00 0.00 O ATOM 813 CB TYR A 51 -4.366 3.854 -6.553 1.00 0.00 C ATOM 814 CG TYR A 51 -3.401 5.000 -6.335 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.033 4.824 -6.511 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.857 6.254 -5.954 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.150 5.866 -6.314 1.00 0.00 C ATOM 818 CE2 TYR A 51 -2.980 7.303 -5.755 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.627 7.103 -5.935 1.00 0.00 C ATOM 820 OH TYR A 51 -0.750 8.144 -5.739 1.00 0.00 O ATOM 0 H TYR A 51 -4.482 4.197 -3.811 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.991 1.978 -5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.100 3.339 -7.476 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.369 4.258 -6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.655 3.856 -6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.916 6.413 -5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.090 5.713 -6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.351 8.273 -5.460 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.248 8.946 -5.476 1.00 0.00 H new ATOM 830 N ALA A 52 -2.651 1.159 -5.590 1.00 0.00 N ATOM 831 CA ALA A 52 -1.332 0.580 -5.369 1.00 0.00 C ATOM 832 C ALA A 52 -0.428 0.798 -6.578 1.00 0.00 C ATOM 833 O ALA A 52 -0.834 0.572 -7.717 1.00 0.00 O ATOM 834 CB ALA A 52 -1.452 -0.904 -5.061 1.00 0.00 C ATOM 0 H ALA A 52 -3.281 0.576 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.881 1.083 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.459 -1.323 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.056 -1.042 -4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.927 -1.412 -5.900 1.00 0.00 H new ATOM 840 N GLU A 53 0.799 1.237 -6.319 1.00 0.00 N ATOM 841 CA GLU A 53 1.762 1.487 -7.386 1.00 0.00 C ATOM 842 C GLU A 53 3.078 0.764 -7.111 1.00 0.00 C ATOM 843 O GLU A 53 3.312 0.282 -6.002 1.00 0.00 O ATOM 844 CB GLU A 53 2.012 2.988 -7.540 1.00 0.00 C ATOM 845 CG GLU A 53 2.663 3.625 -6.322 1.00 0.00 C ATOM 846 CD GLU A 53 1.651 4.058 -5.278 1.00 0.00 C ATOM 847 OE1 GLU A 53 0.482 3.627 -5.367 1.00 0.00 O ATOM 848 OE2 GLU A 53 2.028 4.830 -4.369 1.00 0.00 O ATOM 0 H GLU A 53 1.150 1.427 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 53 1.343 1.101 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.647 3.155 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.064 3.487 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.360 2.916 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.247 4.490 -6.637 1.00 0.00 H new ATOM 855 N GLU A 54 3.932 0.693 -8.126 1.00 0.00 N ATOM 856 CA GLU A 54 5.225 0.031 -7.993 1.00 0.00 C ATOM 857 C GLU A 54 6.367 1.015 -8.216 1.00 0.00 C ATOM 858 O GLU A 54 6.140 2.192 -8.497 1.00 0.00 O ATOM 859 CB GLU A 54 5.332 -1.128 -8.987 1.00 0.00 C ATOM 860 CG GLU A 54 6.057 -2.342 -8.429 1.00 0.00 C ATOM 861 CD GLU A 54 7.145 -2.850 -9.355 1.00 0.00 C ATOM 862 OE1 GLU A 54 6.808 -3.515 -10.357 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.334 -2.584 -9.079 1.00 0.00 O ATOM 0 H GLU A 54 3.752 1.086 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 54 5.302 -0.361 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.330 -1.424 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.853 -0.783 -9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.496 -2.086 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.336 -3.140 -8.250 1.00 0.00 H new ATOM 870 N VAL A 55 7.597 0.526 -8.090 1.00 0.00 N ATOM 871 CA VAL A 55 8.776 1.363 -8.278 1.00 0.00 C ATOM 872 C VAL A 55 9.932 0.562 -8.866 1.00 0.00 C ATOM 873 O VAL A 55 10.788 0.061 -8.136 1.00 0.00 O ATOM 874 CB VAL A 55 9.232 2.001 -6.952 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.332 3.019 -7.198 1.00 0.00 C ATOM 876 CG2 VAL A 55 8.053 2.641 -6.235 1.00 0.00 C ATOM 0 H VAL A 55 7.803 -0.446 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 55 8.493 2.153 -8.974 1.00 0.00 H new ATOM 0 HB VAL A 55 9.634 1.216 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.640 3.458 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.186 2.527 -7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.961 3.804 -7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.394 3.087 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.618 3.414 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.301 1.881 -6.022 1.00 0.00 H new ATOM 886 N LYS A 56 9.951 0.444 -10.189 1.00 0.00 N ATOM 887 CA LYS A 56 11.004 -0.296 -10.877 1.00 0.00 C ATOM 888 C LYS A 56 11.579 0.525 -12.031 1.00 0.00 C ATOM 889 O LYS A 56 10.839 0.977 -12.905 1.00 0.00 O ATOM 890 CB LYS A 56 10.460 -1.626 -11.400 1.00 0.00 C ATOM 891 CG LYS A 56 11.416 -2.793 -11.206 1.00 0.00 C ATOM 892 CD LYS A 56 11.420 -3.718 -12.412 1.00 0.00 C ATOM 893 CE LYS A 56 10.197 -4.621 -12.427 1.00 0.00 C ATOM 894 NZ LYS A 56 10.522 -6.006 -11.993 1.00 0.00 N ATOM 0 H LYS A 56 9.249 0.851 -10.807 1.00 0.00 H new ATOM 0 HA LYS A 56 11.804 -0.495 -10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.520 -1.849 -10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.234 -1.525 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.423 -2.414 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.130 -3.355 -10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.447 -3.125 -13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.323 -4.328 -12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.432 -4.206 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.777 -4.645 -13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.661 -6.589 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.234 -6.413 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.899 -5.987 -11.024 1.00 0.00 H new ATOM 908 N PRO A 57 12.909 0.729 -12.054 1.00 0.00 N ATOM 909 CA PRO A 57 13.567 1.502 -13.112 1.00 0.00 C ATOM 910 C PRO A 57 13.644 0.736 -14.428 1.00 0.00 C ATOM 911 O PRO A 57 14.199 -0.362 -14.487 1.00 0.00 O ATOM 912 CB PRO A 57 14.968 1.742 -12.552 1.00 0.00 C ATOM 913 CG PRO A 57 15.211 0.588 -11.644 1.00 0.00 C ATOM 914 CD PRO A 57 13.874 0.230 -11.054 1.00 0.00 C ATOM 0 HA PRO A 57 13.023 2.417 -13.348 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.711 1.784 -13.348 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.023 2.688 -12.014 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.634 -0.255 -12.190 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.924 0.851 -10.862 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.777 -0.845 -10.904 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.725 0.702 -10.083 1.00 0.00 H new ATOM 922 N ASP A 58 13.086 1.323 -15.479 1.00 0.00 N ATOM 923 CA ASP A 58 13.091 0.698 -16.797 1.00 0.00 C ATOM 924 C ASP A 58 14.319 1.121 -17.601 1.00 0.00 C ATOM 925 O ASP A 58 15.112 0.280 -18.024 1.00 0.00 O ATOM 926 CB ASP A 58 11.812 1.053 -17.560 1.00 0.00 C ATOM 927 CG ASP A 58 11.025 -0.177 -17.971 1.00 0.00 C ATOM 928 OD1 ASP A 58 10.652 -0.968 -17.080 1.00 0.00 O ATOM 929 OD2 ASP A 58 10.781 -0.347 -19.184 1.00 0.00 O ATOM 0 H ASP A 58 12.624 2.232 -15.445 1.00 0.00 H new ATOM 0 HA ASP A 58 13.131 -0.382 -16.657 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.185 1.691 -16.937 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.070 1.630 -18.448 1.00 0.00 H new ATOM 934 N PRO A 59 14.495 2.436 -17.828 1.00 0.00 N ATOM 935 CA PRO A 59 15.631 2.958 -18.586 1.00 0.00 C ATOM 936 C PRO A 59 16.889 3.089 -17.735 1.00 0.00 C ATOM 937 O PRO A 59 17.313 4.196 -17.398 1.00 0.00 O ATOM 938 CB PRO A 59 15.135 4.332 -19.031 1.00 0.00 C ATOM 939 CG PRO A 59 14.220 4.771 -17.939 1.00 0.00 C ATOM 940 CD PRO A 59 13.602 3.519 -17.367 1.00 0.00 C ATOM 0 HA PRO A 59 15.920 2.301 -19.406 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.962 5.030 -19.160 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.614 4.275 -19.987 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.767 5.319 -17.172 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.452 5.442 -18.323 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.553 3.560 -16.279 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.583 3.377 -17.727 1.00 0.00 H new ATOM 948 N SER A 60 17.485 1.951 -17.391 1.00 0.00 N ATOM 949 CA SER A 60 18.697 1.940 -16.580 1.00 0.00 C ATOM 950 C SER A 60 19.896 2.428 -17.387 1.00 0.00 C ATOM 951 O SER A 60 20.542 3.411 -17.024 1.00 0.00 O ATOM 952 CB SER A 60 18.964 0.531 -16.046 1.00 0.00 C ATOM 953 OG SER A 60 18.321 0.326 -14.802 1.00 0.00 O ATOM 0 H SER A 60 17.149 1.027 -17.661 1.00 0.00 H new ATOM 0 HA SER A 60 18.549 2.618 -15.739 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.612 -0.207 -16.767 1.00 0.00 H new ATOM 0 HB3 SER A 60 20.037 0.379 -15.933 1.00 0.00 H new ATOM 0 HG SER A 60 18.506 -0.582 -14.484 1.00 0.00 H new ATOM 959 N ASN A 61 20.186 1.734 -18.482 1.00 0.00 N ATOM 960 CA ASN A 61 21.307 2.096 -19.343 1.00 0.00 C ATOM 961 C ASN A 61 21.018 1.721 -20.794 1.00 0.00 C ATOM 962 O ASN A 61 21.408 0.650 -21.259 1.00 0.00 O ATOM 963 CB ASN A 61 22.588 1.406 -18.866 1.00 0.00 C ATOM 964 CG ASN A 61 23.714 2.389 -18.613 1.00 0.00 C ATOM 965 OD1 ASN A 61 24.701 2.422 -19.347 1.00 0.00 O ATOM 966 ND2 ASN A 61 23.572 3.197 -17.569 1.00 0.00 N ATOM 0 H ASN A 61 19.661 0.918 -18.795 1.00 0.00 H new ATOM 0 HA ASN A 61 21.445 3.176 -19.287 1.00 0.00 H new ATOM 0 HB2 ASN A 61 22.380 0.853 -17.950 1.00 0.00 H new ATOM 0 HB3 ASN A 61 22.905 0.679 -19.613 1.00 0.00 H new ATOM 0 HD21 ASN A 61 24.298 3.879 -17.349 1.00 0.00 H new ATOM 0 HD22 ASN A 61 22.737 3.136 -16.987 1.00 0.00 H new ATOM 973 N LYS A 62 20.328 2.609 -21.502 1.00 0.00 N ATOM 974 CA LYS A 62 19.985 2.373 -22.899 1.00 0.00 C ATOM 975 C LYS A 62 20.534 3.481 -23.791 1.00 0.00 C ATOM 976 O LYS A 62 20.324 4.665 -23.528 1.00 0.00 O ATOM 977 CB LYS A 62 18.466 2.278 -23.063 1.00 0.00 C ATOM 978 CG LYS A 62 18.033 1.587 -24.346 1.00 0.00 C ATOM 979 CD LYS A 62 16.570 1.177 -24.290 1.00 0.00 C ATOM 980 CE LYS A 62 16.278 0.028 -25.241 1.00 0.00 C ATOM 981 NZ LYS A 62 15.027 -0.693 -24.876 1.00 0.00 N ATOM 0 H LYS A 62 19.995 3.499 -21.131 1.00 0.00 H new ATOM 0 HA LYS A 62 20.438 1.429 -23.203 1.00 0.00 H new ATOM 0 HB2 LYS A 62 18.050 1.739 -22.212 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.043 3.282 -23.041 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.193 2.255 -25.192 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.653 0.706 -24.514 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.312 0.883 -23.273 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.942 2.030 -24.545 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.192 0.412 -26.258 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.115 -0.671 -25.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.864 -1.469 -25.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.118 -1.081 -23.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.224 -0.033 -24.908 1.00 0.00 H new ATOM 995 N LYS A 63 21.240 3.088 -24.846 1.00 0.00 N ATOM 996 CA LYS A 63 21.821 4.049 -25.778 1.00 0.00 C ATOM 997 C LYS A 63 20.869 4.326 -26.936 1.00 0.00 C ATOM 998 O LYS A 63 19.970 3.533 -27.217 1.00 0.00 O ATOM 999 CB LYS A 63 23.156 3.529 -26.313 1.00 0.00 C ATOM 1000 CG LYS A 63 24.139 3.137 -25.221 1.00 0.00 C ATOM 1001 CD LYS A 63 24.837 4.355 -24.632 1.00 0.00 C ATOM 1002 CE LYS A 63 26.349 4.211 -24.681 1.00 0.00 C ATOM 1003 NZ LYS A 63 26.998 4.743 -23.450 1.00 0.00 N ATOM 0 H LYS A 63 21.424 2.112 -25.077 1.00 0.00 H new ATOM 0 HA LYS A 63 21.992 4.982 -25.240 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.970 2.665 -26.950 1.00 0.00 H new ATOM 0 HB3 LYS A 63 23.610 4.296 -26.940 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.612 2.602 -24.431 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.883 2.452 -25.629 1.00 0.00 H new ATOM 0 HD2 LYS A 63 24.538 5.248 -25.181 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.517 4.494 -23.599 1.00 0.00 H new ATOM 0 HE2 LYS A 63 26.610 3.160 -24.803 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.736 4.739 -25.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.029 4.626 -23.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.770 5.752 -23.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.648 4.222 -22.620 1.00 0.00 H new ATOM 1017 N THR A 64 21.074 5.455 -27.606 1.00 0.00 N ATOM 1018 CA THR A 64 20.233 5.835 -28.735 1.00 0.00 C ATOM 1019 C THR A 64 21.038 6.601 -29.779 1.00 0.00 C ATOM 1020 O THR A 64 21.810 7.501 -29.446 1.00 0.00 O ATOM 1021 CB THR A 64 19.055 6.687 -28.257 1.00 0.00 C ATOM 1022 OG1 THR A 64 18.444 6.103 -27.120 1.00 0.00 O ATOM 1023 CG2 THR A 64 17.985 6.874 -29.310 1.00 0.00 C ATOM 0 H THR A 64 21.814 6.122 -27.387 1.00 0.00 H new ATOM 0 HA THR A 64 19.851 4.923 -29.194 1.00 0.00 H new ATOM 0 HB THR A 64 19.480 7.662 -28.020 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.694 6.662 -26.828 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.180 7.487 -28.906 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.415 7.368 -30.181 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.589 5.902 -29.603 1.00 0.00 H new ATOM 1031 N THR A 65 20.854 6.238 -31.045 1.00 0.00 N ATOM 1032 CA THR A 65 21.564 6.892 -32.138 1.00 0.00 C ATOM 1033 C THR A 65 20.678 6.998 -33.376 1.00 0.00 C ATOM 1034 O THR A 65 19.840 6.133 -33.628 1.00 0.00 O ATOM 1035 CB THR A 65 22.842 6.121 -32.476 1.00 0.00 C ATOM 1036 OG1 THR A 65 23.469 5.650 -31.297 1.00 0.00 O ATOM 1037 CG2 THR A 65 23.855 6.949 -33.236 1.00 0.00 C ATOM 0 H THR A 65 20.220 5.495 -31.339 1.00 0.00 H new ATOM 0 HA THR A 65 21.829 7.899 -31.816 1.00 0.00 H new ATOM 0 HB THR A 65 22.523 5.294 -33.110 1.00 0.00 H new ATOM 0 HG1 THR A 65 24.283 5.158 -31.533 1.00 0.00 H new ATOM 0 HG21 THR A 65 24.737 6.344 -33.444 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.417 7.287 -34.175 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.141 7.813 -32.637 1.00 0.00 H new ATOM 1045 N ALA A 66 20.871 8.065 -34.143 1.00 0.00 N ATOM 1046 CA ALA A 66 20.089 8.285 -35.356 1.00 0.00 C ATOM 1047 C ALA A 66 20.806 7.724 -36.579 1.00 0.00 C ATOM 1048 O ALA A 66 21.871 8.268 -36.940 1.00 0.00 O ATOM 1049 CB ALA A 66 19.810 9.768 -35.539 1.00 0.00 C ATOM 1050 OXT ALA A 66 20.295 6.747 -37.165 1.00 0.00 O ATOM 0 H ALA A 66 21.561 8.791 -33.948 1.00 0.00 H new ATOM 0 HA ALA A 66 19.141 7.758 -35.250 1.00 0.00 H new ATOM 0 HB1 ALA A 66 19.226 9.919 -36.447 1.00 0.00 H new ATOM 0 HB2 ALA A 66 19.250 10.141 -34.681 1.00 0.00 H new ATOM 0 HB3 ALA A 66 20.753 10.308 -35.620 1.00 0.00 H new TER 1056 ALA A 66