USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 1 MET N :NH3+ 170:sc= 1.04 (180deg=-0.0306) USER MOD Set 1.2: A 4 THR OG1 : rot -170:sc= 0.989 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.345 (180deg=-1.19) USER MOD Single : A 2 ASN : amide:sc= -0.0895 K(o=-0.09,f=-5!) USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= 1.26 (180deg=-0.302) USER MOD Single : A 14 GLN : amide:sc= -2.16 K(o=-2.2,f=-0.69) USER MOD Single : A 17 THR OG1 : rot 134:sc= 0.715 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 72:sc= 0.915 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 65:sc= 0.0517 USER MOD Single : A 40 GLN : amide:sc=-0.00205 K(o=-0.0021,f=-0.7) USER MOD Single : A 42 MET CE :methyl -147:sc= -0.441 (180deg=-2.01!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 59 ASN : amide:sc= -4.36! C(o=-4.4!,f=-16!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 133:sc= 0.0772 USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0.498 (180deg=0.251) USER MOD Single : A 72 THR OG1 : rot 74:sc= 0.81 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= 0.511 (180deg=0.188) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.159 0.562 10.987 1.00 0.00 N ATOM 2 CA MET A 1 1.833 0.219 9.711 1.00 0.00 C ATOM 3 C MET A 1 0.929 -0.631 8.824 1.00 0.00 C ATOM 4 O MET A 1 0.381 -0.131 7.848 1.00 0.00 O ATOM 5 CB MET A 1 3.161 -0.508 9.970 1.00 0.00 C ATOM 6 CG MET A 1 4.272 0.406 10.470 1.00 0.00 C ATOM 7 SD MET A 1 5.692 -0.506 11.106 1.00 0.00 S ATOM 8 CE MET A 1 6.185 -1.441 9.658 1.00 0.00 C ATOM 0 H1 MET A 1 1.847 0.992 11.638 1.00 0.00 H new ATOM 0 H2 MET A 1 0.389 1.236 10.803 1.00 0.00 H new ATOM 0 H3 MET A 1 0.768 -0.301 11.416 1.00 0.00 H new ATOM 0 HA MET A 1 2.046 1.152 9.189 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.996 -1.298 10.702 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.487 -0.990 9.048 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.597 1.054 9.656 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.879 1.052 11.255 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.273 -1.461 9.591 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.807 -2.460 9.737 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.775 -0.971 8.764 1.00 0.00 H new ATOM 17 N ASN A 2 0.750 -1.907 9.179 1.00 0.00 N ATOM 18 CA ASN A 2 0.007 -2.854 8.331 1.00 0.00 C ATOM 19 C ASN A 2 -1.376 -2.309 7.964 1.00 0.00 C ATOM 20 O ASN A 2 -1.791 -2.372 6.804 1.00 0.00 O ATOM 21 CB ASN A 2 -0.115 -4.231 9.014 1.00 0.00 C ATOM 22 CG ASN A 2 -0.963 -4.225 10.280 1.00 0.00 C ATOM 23 OD1 ASN A 2 -1.051 -3.221 10.985 1.00 0.00 O ATOM 24 ND2 ASN A 2 -1.582 -5.355 10.583 1.00 0.00 N ATOM 0 H ASN A 2 1.107 -2.311 10.045 1.00 0.00 H new ATOM 0 HA ASN A 2 0.573 -2.980 7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.544 -4.939 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.884 -4.592 9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.155 -5.413 11.425 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.486 -6.168 9.975 1.00 0.00 H new ATOM 31 N ALA A 3 -2.075 -1.758 8.948 1.00 0.00 N ATOM 32 CA ALA A 3 -3.391 -1.166 8.723 1.00 0.00 C ATOM 33 C ALA A 3 -3.248 0.229 8.123 1.00 0.00 C ATOM 34 O ALA A 3 -3.998 0.614 7.229 1.00 0.00 O ATOM 35 CB ALA A 3 -4.183 -1.117 10.023 1.00 0.00 C ATOM 0 H ALA A 3 -1.752 -1.708 9.914 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.938 -1.789 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.161 -0.673 9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.311 -2.128 10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.644 -0.515 10.755 1.00 0.00 H new ATOM 41 N THR A 4 -2.257 0.962 8.616 1.00 0.00 N ATOM 42 CA THR A 4 -1.955 2.318 8.156 1.00 0.00 C ATOM 43 C THR A 4 -1.791 2.369 6.632 1.00 0.00 C ATOM 44 O THR A 4 -2.279 3.284 5.959 1.00 0.00 O ATOM 45 CB THR A 4 -0.641 2.802 8.807 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.677 2.567 10.220 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.394 4.278 8.534 1.00 0.00 C ATOM 0 H THR A 4 -1.633 0.632 9.353 1.00 0.00 H new ATOM 0 HA THR A 4 -2.788 2.961 8.442 1.00 0.00 H new ATOM 0 HB THR A 4 0.179 2.236 8.365 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.084 3.015 10.646 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.539 4.584 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.327 4.443 7.459 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.217 4.866 8.941 1.00 0.00 H new ATOM 55 N ILE A 5 -1.101 1.365 6.108 1.00 0.00 N ATOM 56 CA ILE A 5 -0.768 1.290 4.693 1.00 0.00 C ATOM 57 C ILE A 5 -2.025 1.062 3.868 1.00 0.00 C ATOM 58 O ILE A 5 -2.275 1.766 2.894 1.00 0.00 O ATOM 59 CB ILE A 5 0.260 0.157 4.436 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.576 0.469 5.176 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.506 -0.030 2.938 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.496 -0.725 5.344 1.00 0.00 C ATOM 0 H ILE A 5 -0.755 0.577 6.655 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.319 2.237 4.392 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.146 -0.778 4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.109 1.249 4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.339 0.871 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.230 -0.830 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.431 -0.290 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.894 0.896 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.398 -0.418 5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.985 -1.500 5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.767 -1.116 4.363 1.00 0.00 H new ATOM 74 N ARG A 6 -2.832 0.095 4.282 1.00 0.00 N ATOM 75 CA ARG A 6 -4.089 -0.188 3.601 1.00 0.00 C ATOM 76 C ARG A 6 -5.027 1.014 3.706 1.00 0.00 C ATOM 77 O ARG A 6 -5.724 1.364 2.750 1.00 0.00 O ATOM 78 CB ARG A 6 -4.767 -1.426 4.203 1.00 0.00 C ATOM 79 CG ARG A 6 -6.110 -1.743 3.559 1.00 0.00 C ATOM 80 CD ARG A 6 -6.821 -2.916 4.225 1.00 0.00 C ATOM 81 NE ARG A 6 -8.067 -3.256 3.530 1.00 0.00 N ATOM 82 CZ ARG A 6 -9.156 -3.752 4.126 1.00 0.00 C ATOM 83 NH1 ARG A 6 -9.187 -3.920 5.443 1.00 0.00 N ATOM 84 NH2 ARG A 6 -10.223 -4.062 3.404 1.00 0.00 N ATOM 0 H ARG A 6 -2.640 -0.506 5.084 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.871 -0.385 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.106 -2.285 4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.911 -1.270 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.749 -0.861 3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.958 -1.968 2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.161 -3.784 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.039 -2.668 5.264 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.105 -3.103 2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.376 -3.670 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.022 -4.299 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.213 -3.922 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.054 -4.440 3.859 1.00 0.00 H new ATOM 98 N GLU A 7 -5.017 1.648 4.873 1.00 0.00 N ATOM 99 CA GLU A 7 -5.897 2.772 5.159 1.00 0.00 C ATOM 100 C GLU A 7 -5.634 3.935 4.206 1.00 0.00 C ATOM 101 O GLU A 7 -6.572 4.581 3.729 1.00 0.00 O ATOM 102 CB GLU A 7 -5.717 3.229 6.614 1.00 0.00 C ATOM 103 CG GLU A 7 -6.596 4.413 6.999 1.00 0.00 C ATOM 104 CD GLU A 7 -6.407 4.848 8.442 1.00 0.00 C ATOM 105 OE1 GLU A 7 -5.538 5.703 8.703 1.00 0.00 O ATOM 106 OE2 GLU A 7 -7.136 4.346 9.323 1.00 0.00 O ATOM 0 H GLU A 7 -4.400 1.397 5.645 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.925 2.441 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.938 2.393 7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.673 3.496 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.374 5.253 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.641 4.150 6.839 1.00 0.00 H new ATOM 113 N ILE A 8 -4.361 4.198 3.910 1.00 0.00 N ATOM 114 CA ILE A 8 -4.012 5.338 3.075 1.00 0.00 C ATOM 115 C ILE A 8 -4.598 5.182 1.668 1.00 0.00 C ATOM 116 O ILE A 8 -4.950 6.166 1.027 1.00 0.00 O ATOM 117 CB ILE A 8 -2.484 5.603 3.002 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.236 7.065 2.594 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.797 4.652 2.025 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.781 7.447 2.505 1.00 0.00 C ATOM 0 H ILE A 8 -3.568 3.644 4.232 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.455 6.211 3.554 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.056 5.423 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.706 7.245 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.728 7.719 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.729 4.866 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.953 3.623 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.218 4.787 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.697 8.493 2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.307 7.303 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.285 6.821 1.763 1.00 0.00 H new ATOM 132 N LEU A 9 -4.710 3.942 1.191 1.00 0.00 N ATOM 133 CA LEU A 9 -5.328 3.677 -0.114 1.00 0.00 C ATOM 134 C LEU A 9 -6.788 4.134 -0.124 1.00 0.00 C ATOM 135 O LEU A 9 -7.307 4.561 -1.154 1.00 0.00 O ATOM 136 CB LEU A 9 -5.251 2.180 -0.476 1.00 0.00 C ATOM 137 CG LEU A 9 -3.916 1.697 -1.069 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.599 2.440 -2.367 1.00 0.00 C ATOM 139 CD2 LEU A 9 -2.779 1.850 -0.062 1.00 0.00 C ATOM 0 H LEU A 9 -4.385 3.109 1.682 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.771 4.243 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.458 1.598 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.044 1.958 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.016 0.636 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.651 2.083 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.392 2.259 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.528 3.509 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.848 1.501 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.677 2.899 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.999 1.259 0.827 1.00 0.00 H new ATOM 151 N ALA A 10 -7.437 4.050 1.031 1.00 0.00 N ATOM 152 CA ALA A 10 -8.857 4.367 1.148 1.00 0.00 C ATOM 153 C ALA A 10 -9.107 5.876 1.164 1.00 0.00 C ATOM 154 O ALA A 10 -10.156 6.348 0.717 1.00 0.00 O ATOM 155 CB ALA A 10 -9.430 3.715 2.401 1.00 0.00 C ATOM 0 H ALA A 10 -6.999 3.763 1.907 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.363 3.968 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.490 3.955 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.306 2.634 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.904 4.089 3.279 1.00 0.00 H new ATOM 161 N LYS A 11 -8.146 6.632 1.690 1.00 0.00 N ATOM 162 CA LYS A 11 -8.318 8.077 1.879 1.00 0.00 C ATOM 163 C LYS A 11 -7.419 8.909 0.950 1.00 0.00 C ATOM 164 O LYS A 11 -7.684 10.092 0.727 1.00 0.00 O ATOM 165 CB LYS A 11 -8.070 8.440 3.356 1.00 0.00 C ATOM 166 CG LYS A 11 -6.803 7.822 3.942 1.00 0.00 C ATOM 167 CD LYS A 11 -6.591 8.218 5.402 1.00 0.00 C ATOM 168 CE LYS A 11 -5.298 7.632 5.959 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.088 7.985 7.388 1.00 0.00 N ATOM 0 H LYS A 11 -7.241 6.272 1.993 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.345 8.325 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.009 9.524 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.927 8.117 3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.862 6.736 3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.941 8.136 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.564 9.305 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.435 7.873 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.319 6.547 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.455 7.993 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.069 8.053 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.541 8.899 7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.507 7.250 7.992 1.00 0.00 H new ATOM 183 N PHE A 12 -6.359 8.303 0.416 1.00 0.00 N ATOM 184 CA PHE A 12 -5.415 9.014 -0.465 1.00 0.00 C ATOM 185 C PHE A 12 -5.314 8.335 -1.827 1.00 0.00 C ATOM 186 O PHE A 12 -5.251 9.004 -2.857 1.00 0.00 O ATOM 187 CB PHE A 12 -4.005 9.054 0.156 1.00 0.00 C ATOM 188 CG PHE A 12 -3.810 10.037 1.288 1.00 0.00 C ATOM 189 CD1 PHE A 12 -4.720 10.122 2.328 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.691 10.859 1.321 1.00 0.00 C ATOM 191 CE1 PHE A 12 -4.524 11.003 3.372 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.493 11.744 2.363 1.00 0.00 C ATOM 193 CZ PHE A 12 -3.410 11.814 3.390 1.00 0.00 C ATOM 0 H PHE A 12 -6.127 7.322 0.574 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.798 10.027 -0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.761 8.056 0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.289 9.289 -0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.596 9.490 2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.966 10.806 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.244 11.057 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.621 12.381 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.256 12.503 4.207 1.00 0.00 H new ATOM 203 N GLY A 13 -5.323 7.005 -1.822 1.00 0.00 N ATOM 204 CA GLY A 13 -5.088 6.247 -3.039 1.00 0.00 C ATOM 205 C GLY A 13 -6.202 6.408 -4.051 1.00 0.00 C ATOM 206 O GLY A 13 -7.378 6.272 -3.708 1.00 0.00 O ATOM 0 H GLY A 13 -5.490 6.436 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.147 6.568 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.979 5.192 -2.790 1.00 0.00 H new ATOM 210 N GLN A 14 -5.839 6.697 -5.299 1.00 0.00 N ATOM 211 CA GLN A 14 -6.829 6.852 -6.362 1.00 0.00 C ATOM 212 C GLN A 14 -7.306 5.476 -6.821 1.00 0.00 C ATOM 213 O GLN A 14 -6.914 4.974 -7.876 1.00 0.00 O ATOM 214 CB GLN A 14 -6.260 7.684 -7.532 1.00 0.00 C ATOM 215 CG GLN A 14 -7.314 8.160 -8.545 1.00 0.00 C ATOM 216 CD GLN A 14 -7.633 7.153 -9.648 1.00 0.00 C ATOM 217 OE1 GLN A 14 -8.776 7.050 -10.101 1.00 0.00 O ATOM 218 NE2 GLN A 14 -6.622 6.439 -10.122 1.00 0.00 N ATOM 0 H GLN A 14 -4.873 6.828 -5.598 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.688 7.400 -5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.745 8.555 -7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.513 7.088 -8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.233 8.396 -8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.966 9.085 -9.005 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.689 6.549 -9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.777 5.780 -10.885 1.00 0.00 H new ATOM 227 N LEU A 15 -8.092 4.839 -5.970 1.00 0.00 N ATOM 228 CA LEU A 15 -8.702 3.555 -6.277 1.00 0.00 C ATOM 229 C LEU A 15 -10.195 3.765 -6.549 1.00 0.00 C ATOM 230 O LEU A 15 -10.911 4.294 -5.697 1.00 0.00 O ATOM 231 CB LEU A 15 -8.492 2.576 -5.105 1.00 0.00 C ATOM 232 CG LEU A 15 -8.888 1.112 -5.382 1.00 0.00 C ATOM 233 CD1 LEU A 15 -8.052 0.527 -6.511 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.740 0.260 -4.125 1.00 0.00 C ATOM 0 H LEU A 15 -8.326 5.198 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.235 3.125 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.441 2.601 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.065 2.933 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.935 1.104 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.351 -0.506 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.208 1.110 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.998 0.558 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.025 -0.768 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.703 0.284 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.385 0.654 -3.340 1.00 0.00 H new ATOM 246 N PRO A 16 -10.688 3.356 -7.738 1.00 0.00 N ATOM 247 CA PRO A 16 -12.094 3.546 -8.126 1.00 0.00 C ATOM 248 C PRO A 16 -13.012 2.539 -7.441 1.00 0.00 C ATOM 249 O PRO A 16 -14.215 2.486 -7.702 1.00 0.00 O ATOM 250 CB PRO A 16 -12.074 3.304 -9.636 1.00 0.00 C ATOM 251 CG PRO A 16 -10.935 2.367 -9.862 1.00 0.00 C ATOM 252 CD PRO A 16 -9.918 2.656 -8.787 1.00 0.00 C ATOM 0 HA PRO A 16 -12.474 4.527 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.014 2.872 -9.979 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.933 4.236 -10.183 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.270 1.331 -9.810 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.504 2.513 -10.852 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.469 1.738 -8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.105 3.276 -9.165 1.00 0.00 H new ATOM 260 N THR A 17 -12.419 1.744 -6.573 1.00 0.00 N ATOM 261 CA THR A 17 -13.091 0.669 -5.891 1.00 0.00 C ATOM 262 C THR A 17 -12.811 0.769 -4.387 1.00 0.00 C ATOM 263 O THR A 17 -11.690 1.088 -3.991 1.00 0.00 O ATOM 264 CB THR A 17 -12.568 -0.665 -6.461 1.00 0.00 C ATOM 265 OG1 THR A 17 -13.042 -0.851 -7.805 1.00 0.00 O ATOM 266 CG2 THR A 17 -12.960 -1.847 -5.597 1.00 0.00 C ATOM 0 H THR A 17 -11.435 1.834 -6.320 1.00 0.00 H new ATOM 0 HA THR A 17 -14.169 0.727 -6.041 1.00 0.00 H new ATOM 0 HB THR A 17 -11.479 -0.613 -6.466 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.299 -1.137 -8.377 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.570 -2.765 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.546 -1.720 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.047 -1.908 -5.535 1.00 0.00 H new ATOM 274 N PRO A 18 -13.820 0.525 -3.528 1.00 0.00 N ATOM 275 CA PRO A 18 -13.650 0.630 -2.073 1.00 0.00 C ATOM 276 C PRO A 18 -12.613 -0.365 -1.545 1.00 0.00 C ATOM 277 O PRO A 18 -12.761 -1.576 -1.710 1.00 0.00 O ATOM 278 CB PRO A 18 -15.051 0.321 -1.515 1.00 0.00 C ATOM 279 CG PRO A 18 -15.755 -0.409 -2.612 1.00 0.00 C ATOM 280 CD PRO A 18 -15.191 0.131 -3.901 1.00 0.00 C ATOM 0 HA PRO A 18 -13.280 1.610 -1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.990 -0.287 -0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.580 1.236 -1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.590 -1.484 -2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.832 -0.247 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.194 -0.622 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.768 0.979 -4.269 1.00 0.00 H new ATOM 288 N VAL A 19 -11.572 0.153 -0.896 1.00 0.00 N ATOM 289 CA VAL A 19 -10.490 -0.676 -0.356 1.00 0.00 C ATOM 290 C VAL A 19 -11.032 -1.680 0.667 1.00 0.00 C ATOM 291 O VAL A 19 -10.381 -2.676 0.997 1.00 0.00 O ATOM 292 CB VAL A 19 -9.391 0.201 0.301 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.219 -0.648 0.796 1.00 0.00 C ATOM 294 CG2 VAL A 19 -8.907 1.269 -0.676 1.00 0.00 C ATOM 0 H VAL A 19 -11.453 1.152 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.048 -1.224 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.831 0.694 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.468 -0.002 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.576 -1.365 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.777 -1.183 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.137 1.875 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.494 0.790 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.744 1.906 -0.963 1.00 0.00 H new ATOM 304 N ASP A 20 -12.235 -1.414 1.153 1.00 0.00 N ATOM 305 CA ASP A 20 -12.897 -2.294 2.110 1.00 0.00 C ATOM 306 C ASP A 20 -13.237 -3.650 1.482 1.00 0.00 C ATOM 307 O ASP A 20 -13.216 -4.677 2.166 1.00 0.00 O ATOM 308 CB ASP A 20 -14.168 -1.623 2.650 1.00 0.00 C ATOM 309 CG ASP A 20 -14.920 -2.499 3.641 1.00 0.00 C ATOM 310 OD1 ASP A 20 -14.415 -2.702 4.765 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.018 -2.993 3.299 1.00 0.00 O ATOM 0 H ASP A 20 -12.778 -0.589 0.899 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.208 -2.474 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.900 -0.683 3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.826 -1.377 1.817 1.00 0.00 H new ATOM 316 N THR A 21 -13.529 -3.659 0.178 1.00 0.00 N ATOM 317 CA THR A 21 -13.949 -4.888 -0.503 1.00 0.00 C ATOM 318 C THR A 21 -12.752 -5.803 -0.786 1.00 0.00 C ATOM 319 O THR A 21 -12.912 -7.013 -0.954 1.00 0.00 O ATOM 320 CB THR A 21 -14.711 -4.594 -1.824 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.406 -5.771 -2.258 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.768 -4.137 -2.935 1.00 0.00 C ATOM 0 H THR A 21 -13.483 -2.836 -0.423 1.00 0.00 H new ATOM 0 HA THR A 21 -14.633 -5.399 0.174 1.00 0.00 H new ATOM 0 HB THR A 21 -15.417 -3.789 -1.621 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.886 -5.579 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.341 -3.942 -3.841 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.256 -3.225 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.032 -4.917 -3.132 1.00 0.00 H new ATOM 330 N ILE A 22 -11.553 -5.221 -0.840 1.00 0.00 N ATOM 331 CA ILE A 22 -10.328 -6.003 -0.990 1.00 0.00 C ATOM 332 C ILE A 22 -9.743 -6.293 0.391 1.00 0.00 C ATOM 333 O ILE A 22 -10.347 -5.943 1.407 1.00 0.00 O ATOM 334 CB ILE A 22 -9.273 -5.296 -1.890 1.00 0.00 C ATOM 335 CG1 ILE A 22 -8.975 -3.877 -1.377 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.744 -5.262 -3.345 1.00 0.00 C ATOM 337 CD1 ILE A 22 -7.929 -3.139 -2.188 1.00 0.00 C ATOM 0 H ILE A 22 -11.406 -4.213 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.587 -6.936 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.347 -5.870 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.899 -3.298 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.641 -3.938 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.993 -4.764 -3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.889 -6.281 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.686 -4.717 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.774 -2.147 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.991 -3.694 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.268 -3.045 -3.220 1.00 0.00 H new ATOM 349 N ALA A 23 -8.573 -6.916 0.430 1.00 0.00 N ATOM 350 CA ALA A 23 -7.990 -7.371 1.686 1.00 0.00 C ATOM 351 C ALA A 23 -6.482 -7.545 1.548 1.00 0.00 C ATOM 352 O ALA A 23 -5.908 -7.211 0.512 1.00 0.00 O ATOM 353 CB ALA A 23 -8.651 -8.675 2.125 1.00 0.00 C ATOM 0 H ALA A 23 -8.008 -7.118 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.170 -6.616 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.210 -9.008 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.720 -8.512 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.496 -9.437 1.361 1.00 0.00 H new ATOM 359 N ASP A 24 -5.855 -8.080 2.590 1.00 0.00 N ATOM 360 CA ASP A 24 -4.402 -8.221 2.638 1.00 0.00 C ATOM 361 C ASP A 24 -3.893 -9.202 1.579 1.00 0.00 C ATOM 362 O ASP A 24 -2.862 -8.960 0.948 1.00 0.00 O ATOM 363 CB ASP A 24 -3.950 -8.676 4.036 1.00 0.00 C ATOM 364 CG ASP A 24 -4.362 -10.105 4.360 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.562 -10.432 4.216 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.491 -10.911 4.758 1.00 0.00 O ATOM 0 H ASP A 24 -6.335 -8.426 3.421 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.973 -7.242 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.866 -8.592 4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.371 -8.004 4.784 1.00 0.00 H new ATOM 371 N GLU A 25 -4.611 -10.310 1.392 1.00 0.00 N ATOM 372 CA GLU A 25 -4.201 -11.338 0.430 1.00 0.00 C ATOM 373 C GLU A 25 -4.908 -11.175 -0.911 1.00 0.00 C ATOM 374 O GLU A 25 -4.584 -11.866 -1.882 1.00 0.00 O ATOM 375 CB GLU A 25 -4.468 -12.739 0.988 1.00 0.00 C ATOM 376 CG GLU A 25 -3.832 -12.981 2.347 1.00 0.00 C ATOM 377 CD GLU A 25 -3.679 -14.451 2.680 1.00 0.00 C ATOM 378 OE1 GLU A 25 -4.691 -15.108 3.002 1.00 0.00 O ATOM 379 OE2 GLU A 25 -2.537 -14.954 2.623 1.00 0.00 O ATOM 0 H GLU A 25 -5.476 -10.520 1.891 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.131 -11.213 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.544 -12.891 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.092 -13.480 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.852 -12.505 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.439 -12.502 3.116 1.00 0.00 H new ATOM 386 N ALA A 26 -5.872 -10.265 -0.969 1.00 0.00 N ATOM 387 CA ALA A 26 -6.593 -10.005 -2.207 1.00 0.00 C ATOM 388 C ALA A 26 -5.736 -9.154 -3.136 1.00 0.00 C ATOM 389 O ALA A 26 -5.076 -8.213 -2.690 1.00 0.00 O ATOM 390 CB ALA A 26 -7.925 -9.321 -1.923 1.00 0.00 C ATOM 0 H ALA A 26 -6.171 -9.697 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.804 -10.956 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.447 -9.136 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.536 -9.963 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.746 -8.373 -1.415 1.00 0.00 H new ATOM 396 N ASP A 27 -5.738 -9.501 -4.417 1.00 0.00 N ATOM 397 CA ASP A 27 -4.938 -8.792 -5.410 1.00 0.00 C ATOM 398 C ASP A 27 -5.398 -7.343 -5.510 1.00 0.00 C ATOM 399 O ASP A 27 -6.425 -7.046 -6.121 1.00 0.00 O ATOM 400 CB ASP A 27 -5.039 -9.485 -6.777 1.00 0.00 C ATOM 401 CG ASP A 27 -4.561 -10.927 -6.726 1.00 0.00 C ATOM 402 OD1 ASP A 27 -5.301 -11.786 -6.200 1.00 0.00 O ATOM 403 OD2 ASP A 27 -3.443 -11.213 -7.207 1.00 0.00 O ATOM 0 H ASP A 27 -6.287 -10.273 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.894 -8.808 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.073 -9.459 -7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.447 -8.933 -7.507 1.00 0.00 H new ATOM 408 N LEU A 28 -4.635 -6.451 -4.891 1.00 0.00 N ATOM 409 CA LEU A 28 -5.000 -5.038 -4.796 1.00 0.00 C ATOM 410 C LEU A 28 -5.251 -4.434 -6.177 1.00 0.00 C ATOM 411 O LEU A 28 -6.241 -3.730 -6.394 1.00 0.00 O ATOM 412 CB LEU A 28 -3.891 -4.259 -4.079 1.00 0.00 C ATOM 413 CG LEU A 28 -3.462 -4.827 -2.717 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.327 -3.993 -2.126 1.00 0.00 C ATOM 415 CD2 LEU A 28 -4.653 -4.889 -1.760 1.00 0.00 C ATOM 0 H LEU A 28 -3.749 -6.682 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.925 -4.966 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.017 -4.222 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.226 -3.232 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.096 -5.843 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.035 -4.408 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.473 -4.010 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.663 -2.965 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.329 -5.294 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.054 -3.886 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.426 -5.531 -2.182 1.00 0.00 H new ATOM 427 N TYR A 29 -4.354 -4.733 -7.111 1.00 0.00 N ATOM 428 CA TYR A 29 -4.442 -4.199 -8.470 1.00 0.00 C ATOM 429 C TYR A 29 -5.710 -4.675 -9.183 1.00 0.00 C ATOM 430 O TYR A 29 -6.194 -4.008 -10.096 1.00 0.00 O ATOM 431 CB TYR A 29 -3.188 -4.568 -9.280 1.00 0.00 C ATOM 432 CG TYR A 29 -2.848 -6.049 -9.282 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.105 -6.610 -8.250 1.00 0.00 C ATOM 434 CD2 TYR A 29 -3.258 -6.881 -10.320 1.00 0.00 C ATOM 435 CE1 TYR A 29 -1.780 -7.951 -8.251 1.00 0.00 C ATOM 436 CE2 TYR A 29 -2.938 -8.225 -10.324 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.200 -8.753 -9.290 1.00 0.00 C ATOM 438 OH TYR A 29 -1.873 -10.091 -9.296 1.00 0.00 O ATOM 0 H TYR A 29 -3.553 -5.345 -6.953 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.498 -3.113 -8.395 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.327 -4.239 -10.310 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.338 -4.014 -8.881 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.776 -5.985 -7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.835 -6.469 -11.135 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.200 -8.370 -7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.266 -8.858 -11.135 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.389 -10.557 -8.606 1.00 0.00 H new ATOM 448 N ALA A 30 -6.263 -5.805 -8.737 1.00 0.00 N ATOM 449 CA ALA A 30 -7.475 -6.362 -9.345 1.00 0.00 C ATOM 450 C ALA A 30 -8.674 -5.447 -9.104 1.00 0.00 C ATOM 451 O ALA A 30 -9.621 -5.425 -9.893 1.00 0.00 O ATOM 452 CB ALA A 30 -7.751 -7.761 -8.804 1.00 0.00 C ATOM 0 H ALA A 30 -5.893 -6.351 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.314 -6.434 -10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.654 -8.158 -9.267 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.908 -8.413 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.888 -7.713 -7.724 1.00 0.00 H new ATOM 458 N ALA A 31 -8.624 -4.690 -8.010 1.00 0.00 N ATOM 459 CA ALA A 31 -9.668 -3.715 -7.693 1.00 0.00 C ATOM 460 C ALA A 31 -9.554 -2.498 -8.607 1.00 0.00 C ATOM 461 O ALA A 31 -10.459 -1.662 -8.677 1.00 0.00 O ATOM 462 CB ALA A 31 -9.573 -3.290 -6.234 1.00 0.00 C ATOM 0 H ALA A 31 -7.869 -4.733 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.639 -4.183 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.356 -2.565 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.696 -4.162 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.598 -2.838 -6.049 1.00 0.00 H new ATOM 468 N GLY A 32 -8.419 -2.404 -9.286 1.00 0.00 N ATOM 469 CA GLY A 32 -8.170 -1.316 -10.217 1.00 0.00 C ATOM 470 C GLY A 32 -7.161 -0.331 -9.672 1.00 0.00 C ATOM 471 O GLY A 32 -7.270 0.875 -9.900 1.00 0.00 O ATOM 0 H GLY A 32 -7.653 -3.073 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.808 -1.722 -11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.105 -0.798 -10.430 1.00 0.00 H new ATOM 475 N LEU A 33 -6.182 -0.850 -8.933 1.00 0.00 N ATOM 476 CA LEU A 33 -5.151 -0.016 -8.325 1.00 0.00 C ATOM 477 C LEU A 33 -4.178 0.452 -9.408 1.00 0.00 C ATOM 478 O LEU A 33 -3.492 -0.358 -10.034 1.00 0.00 O ATOM 479 CB LEU A 33 -4.421 -0.795 -7.208 1.00 0.00 C ATOM 480 CG LEU A 33 -3.911 0.046 -6.018 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.312 -0.852 -4.937 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.890 1.088 -6.472 1.00 0.00 C ATOM 0 H LEU A 33 -6.083 -1.847 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.609 0.861 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.097 -1.559 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.571 -1.315 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.766 0.574 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.959 -0.238 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.072 -1.545 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.476 -1.415 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.550 1.664 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.039 0.587 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.352 1.758 -7.197 1.00 0.00 H new ATOM 494 N SER A 34 -4.144 1.760 -9.636 1.00 0.00 N ATOM 495 CA SER A 34 -3.340 2.339 -10.704 1.00 0.00 C ATOM 496 C SER A 34 -1.982 2.810 -10.182 1.00 0.00 C ATOM 497 O SER A 34 -1.813 3.032 -8.978 1.00 0.00 O ATOM 498 CB SER A 34 -4.099 3.513 -11.323 1.00 0.00 C ATOM 499 OG SER A 34 -5.389 3.112 -11.751 1.00 0.00 O ATOM 0 H SER A 34 -4.669 2.444 -9.090 1.00 0.00 H new ATOM 0 HA SER A 34 -3.159 1.574 -11.459 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.187 4.319 -10.594 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.537 3.909 -12.169 1.00 0.00 H new ATOM 0 HG SER A 34 -5.857 3.879 -12.142 1.00 0.00 H new ATOM 505 N SER A 35 -1.025 2.967 -11.098 1.00 0.00 N ATOM 506 CA SER A 35 0.317 3.441 -10.761 1.00 0.00 C ATOM 507 C SER A 35 0.248 4.749 -9.970 1.00 0.00 C ATOM 508 O SER A 35 0.932 4.910 -8.958 1.00 0.00 O ATOM 509 CB SER A 35 1.134 3.631 -12.046 1.00 0.00 C ATOM 510 OG SER A 35 0.422 4.420 -12.988 1.00 0.00 O ATOM 0 H SER A 35 -1.158 2.770 -12.090 1.00 0.00 H new ATOM 0 HA SER A 35 0.807 2.696 -10.134 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.085 4.109 -11.810 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.366 2.659 -12.481 1.00 0.00 H new ATOM 0 HG SER A 35 0.962 4.529 -13.798 1.00 0.00 H new ATOM 516 N PHE A 36 -0.600 5.666 -10.432 1.00 0.00 N ATOM 517 CA PHE A 36 -0.822 6.942 -9.750 1.00 0.00 C ATOM 518 C PHE A 36 -1.256 6.704 -8.306 1.00 0.00 C ATOM 519 O PHE A 36 -0.695 7.278 -7.375 1.00 0.00 O ATOM 520 CB PHE A 36 -1.884 7.763 -10.498 1.00 0.00 C ATOM 521 CG PHE A 36 -2.236 9.076 -9.839 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.399 10.177 -9.959 1.00 0.00 C ATOM 523 CD2 PHE A 36 -3.406 9.210 -9.101 1.00 0.00 C ATOM 524 CE1 PHE A 36 -1.721 11.379 -9.357 1.00 0.00 C ATOM 525 CE2 PHE A 36 -3.731 10.411 -8.500 1.00 0.00 C ATOM 526 CZ PHE A 36 -2.888 11.496 -8.627 1.00 0.00 C ATOM 0 H PHE A 36 -1.149 5.548 -11.283 1.00 0.00 H new ATOM 0 HA PHE A 36 0.113 7.502 -9.742 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.527 7.962 -11.508 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.789 7.163 -10.592 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.486 10.093 -10.529 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.070 8.365 -8.996 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.060 12.227 -9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.645 10.500 -7.931 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.140 12.435 -8.157 1.00 0.00 H new ATOM 536 N ALA A 37 -2.247 5.833 -8.130 1.00 0.00 N ATOM 537 CA ALA A 37 -2.770 5.518 -6.804 1.00 0.00 C ATOM 538 C ALA A 37 -1.689 4.886 -5.932 1.00 0.00 C ATOM 539 O ALA A 37 -1.685 5.053 -4.713 1.00 0.00 O ATOM 540 CB ALA A 37 -3.977 4.590 -6.913 1.00 0.00 C ATOM 0 H ALA A 37 -2.705 5.332 -8.892 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.088 6.448 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.354 4.365 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.759 5.077 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.681 3.664 -7.406 1.00 0.00 H new ATOM 546 N SER A 38 -0.769 4.169 -6.571 1.00 0.00 N ATOM 547 CA SER A 38 0.301 3.487 -5.857 1.00 0.00 C ATOM 548 C SER A 38 1.339 4.492 -5.351 1.00 0.00 C ATOM 549 O SER A 38 1.628 4.552 -4.156 1.00 0.00 O ATOM 550 CB SER A 38 0.973 2.447 -6.764 1.00 0.00 C ATOM 551 OG SER A 38 0.026 1.532 -7.286 1.00 0.00 O ATOM 0 H SER A 38 -0.745 4.046 -7.583 1.00 0.00 H new ATOM 0 HA SER A 38 -0.135 2.976 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.484 2.952 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.733 1.906 -6.200 1.00 0.00 H new ATOM 0 HG SER A 38 -0.599 2.007 -7.872 1.00 0.00 H new ATOM 557 N VAL A 39 1.879 5.296 -6.263 1.00 0.00 N ATOM 558 CA VAL A 39 2.904 6.275 -5.907 1.00 0.00 C ATOM 559 C VAL A 39 2.352 7.295 -4.913 1.00 0.00 C ATOM 560 O VAL A 39 3.059 7.752 -4.014 1.00 0.00 O ATOM 561 CB VAL A 39 3.465 7.006 -7.158 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.145 6.012 -8.101 1.00 0.00 C ATOM 563 CG2 VAL A 39 2.367 7.782 -7.886 1.00 0.00 C ATOM 0 H VAL A 39 1.626 5.290 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 39 3.724 5.728 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 39 4.211 7.726 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.532 6.542 -8.971 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.967 5.521 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.421 5.264 -8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.791 8.282 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.587 7.093 -8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.939 8.525 -7.213 1.00 0.00 H new ATOM 573 N GLN A 40 1.070 7.608 -5.062 1.00 0.00 N ATOM 574 CA GLN A 40 0.401 8.598 -4.226 1.00 0.00 C ATOM 575 C GLN A 40 0.306 8.123 -2.774 1.00 0.00 C ATOM 576 O GLN A 40 0.366 8.928 -1.840 1.00 0.00 O ATOM 577 CB GLN A 40 -0.998 8.879 -4.793 1.00 0.00 C ATOM 578 CG GLN A 40 -1.764 9.986 -4.080 1.00 0.00 C ATOM 579 CD GLN A 40 -3.122 10.249 -4.711 1.00 0.00 C ATOM 580 OE1 GLN A 40 -3.754 9.342 -5.258 1.00 0.00 O ATOM 581 NE2 GLN A 40 -3.571 11.493 -4.651 1.00 0.00 N ATOM 0 H GLN A 40 0.465 7.183 -5.765 1.00 0.00 H new ATOM 0 HA GLN A 40 0.987 9.517 -4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.902 9.143 -5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.585 7.962 -4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.899 9.715 -3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.174 10.902 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.016 12.214 -4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.472 11.731 -5.067 1.00 0.00 H new ATOM 590 N LEU A 41 0.179 6.810 -2.587 1.00 0.00 N ATOM 591 CA LEU A 41 0.024 6.241 -1.251 1.00 0.00 C ATOM 592 C LEU A 41 1.356 6.292 -0.497 1.00 0.00 C ATOM 593 O LEU A 41 1.384 6.287 0.732 1.00 0.00 O ATOM 594 CB LEU A 41 -0.517 4.792 -1.339 1.00 0.00 C ATOM 595 CG LEU A 41 0.532 3.655 -1.430 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.897 3.123 -0.043 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.031 2.517 -2.321 1.00 0.00 C ATOM 0 H LEU A 41 0.180 6.123 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.702 6.835 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.140 4.609 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.166 4.725 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 41 1.431 4.075 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.635 2.327 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.313 3.931 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.003 2.732 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.786 1.732 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.891 2.109 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.160 2.898 -3.324 1.00 0.00 H new ATOM 609 N MET A 42 2.455 6.368 -1.242 1.00 0.00 N ATOM 610 CA MET A 42 3.790 6.336 -0.647 1.00 0.00 C ATOM 611 C MET A 42 4.079 7.627 0.116 1.00 0.00 C ATOM 612 O MET A 42 4.484 7.592 1.279 1.00 0.00 O ATOM 613 CB MET A 42 4.863 6.124 -1.724 1.00 0.00 C ATOM 614 CG MET A 42 4.591 4.945 -2.650 1.00 0.00 C ATOM 615 SD MET A 42 5.989 4.563 -3.722 1.00 0.00 S ATOM 616 CE MET A 42 6.313 6.165 -4.465 1.00 0.00 C ATOM 0 H MET A 42 2.449 6.452 -2.259 1.00 0.00 H new ATOM 0 HA MET A 42 3.819 5.500 0.052 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.945 7.031 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.827 5.975 -1.237 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.347 4.067 -2.051 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.717 5.165 -3.264 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.676 6.027 -5.483 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.394 6.750 -4.484 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.066 6.692 -3.880 1.00 0.00 H new ATOM 626 N LEU A 43 3.844 8.760 -0.543 1.00 0.00 N ATOM 627 CA LEU A 43 4.173 10.074 0.019 1.00 0.00 C ATOM 628 C LEU A 43 3.525 10.278 1.389 1.00 0.00 C ATOM 629 O LEU A 43 4.181 10.713 2.339 1.00 0.00 O ATOM 630 CB LEU A 43 3.754 11.205 -0.941 1.00 0.00 C ATOM 631 CG LEU A 43 4.662 11.413 -2.172 1.00 0.00 C ATOM 632 CD1 LEU A 43 4.654 10.190 -3.083 1.00 0.00 C ATOM 633 CD2 LEU A 43 4.240 12.665 -2.941 1.00 0.00 C ATOM 0 H LEU A 43 3.425 8.797 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 43 5.255 10.108 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.741 11.003 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.717 12.138 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 43 5.683 11.551 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.303 10.370 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.015 9.322 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.638 10.002 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.890 12.797 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.208 12.556 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.320 13.536 -2.290 1.00 0.00 H new ATOM 645 N GLY A 44 2.238 9.958 1.491 1.00 0.00 N ATOM 646 CA GLY A 44 1.527 10.130 2.747 1.00 0.00 C ATOM 647 C GLY A 44 1.945 9.107 3.788 1.00 0.00 C ATOM 648 O GLY A 44 1.951 9.391 4.988 1.00 0.00 O ATOM 0 H GLY A 44 1.675 9.583 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.711 11.133 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.455 10.048 2.570 1.00 0.00 H new ATOM 652 N ILE A 45 2.297 7.913 3.320 1.00 0.00 N ATOM 653 CA ILE A 45 2.686 6.818 4.201 1.00 0.00 C ATOM 654 C ILE A 45 4.062 7.066 4.826 1.00 0.00 C ATOM 655 O ILE A 45 4.329 6.627 5.949 1.00 0.00 O ATOM 656 CB ILE A 45 2.642 5.450 3.446 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.294 4.745 3.697 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.812 4.538 3.817 1.00 0.00 C ATOM 659 CD1 ILE A 45 1.022 4.438 5.157 1.00 0.00 C ATOM 0 H ILE A 45 2.321 7.679 2.328 1.00 0.00 H new ATOM 0 HA ILE A 45 1.962 6.773 5.015 1.00 0.00 H new ATOM 0 HB ILE A 45 2.739 5.664 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.490 5.373 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.271 3.814 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.733 3.602 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.751 5.030 3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.787 4.331 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.056 3.943 5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.804 3.784 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.011 5.366 5.728 1.00 0.00 H new ATOM 671 N GLU A 46 4.921 7.794 4.109 1.00 0.00 N ATOM 672 CA GLU A 46 6.257 8.119 4.609 1.00 0.00 C ATOM 673 C GLU A 46 6.167 8.788 5.979 1.00 0.00 C ATOM 674 O GLU A 46 6.741 8.316 6.963 1.00 0.00 O ATOM 675 CB GLU A 46 6.981 9.063 3.638 1.00 0.00 C ATOM 676 CG GLU A 46 8.401 9.419 4.076 1.00 0.00 C ATOM 677 CD GLU A 46 8.965 10.615 3.330 1.00 0.00 C ATOM 678 OE1 GLU A 46 9.386 10.458 2.166 1.00 0.00 O ATOM 679 OE2 GLU A 46 8.976 11.728 3.903 1.00 0.00 O ATOM 0 H GLU A 46 4.715 8.168 3.183 1.00 0.00 H new ATOM 0 HA GLU A 46 6.818 7.188 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.019 8.598 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.401 9.980 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.404 9.629 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.051 8.559 3.918 1.00 0.00 H new ATOM 686 N GLU A 47 5.413 9.876 6.035 1.00 0.00 N ATOM 687 CA GLU A 47 5.245 10.639 7.264 1.00 0.00 C ATOM 688 C GLU A 47 4.403 9.860 8.272 1.00 0.00 C ATOM 689 O GLU A 47 4.566 10.022 9.483 1.00 0.00 O ATOM 690 CB GLU A 47 4.630 12.013 6.964 1.00 0.00 C ATOM 691 CG GLU A 47 3.331 11.962 6.172 1.00 0.00 C ATOM 692 CD GLU A 47 2.821 13.348 5.810 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.234 14.018 6.684 1.00 0.00 O ATOM 694 OE2 GLU A 47 3.007 13.778 4.651 1.00 0.00 O ATOM 0 H GLU A 47 4.903 10.253 5.236 1.00 0.00 H new ATOM 0 HA GLU A 47 6.227 10.802 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.446 12.529 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.356 12.609 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.486 11.385 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.573 11.439 6.755 1.00 0.00 H new ATOM 701 N ALA A 48 3.510 9.014 7.760 1.00 0.00 N ATOM 702 CA ALA A 48 2.577 8.268 8.599 1.00 0.00 C ATOM 703 C ALA A 48 3.286 7.489 9.712 1.00 0.00 C ATOM 704 O ALA A 48 2.900 7.595 10.879 1.00 0.00 O ATOM 705 CB ALA A 48 1.737 7.325 7.746 1.00 0.00 C ATOM 0 H ALA A 48 3.414 8.828 6.762 1.00 0.00 H new ATOM 0 HA ALA A 48 1.926 8.997 9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.046 6.775 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.173 7.902 7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.391 6.622 7.229 1.00 0.00 H new ATOM 711 N PHE A 49 4.327 6.714 9.378 1.00 0.00 N ATOM 712 CA PHE A 49 5.022 5.931 10.409 1.00 0.00 C ATOM 713 C PHE A 49 6.539 6.137 10.420 1.00 0.00 C ATOM 714 O PHE A 49 7.142 6.139 11.494 1.00 0.00 O ATOM 715 CB PHE A 49 4.681 4.434 10.295 1.00 0.00 C ATOM 716 CG PHE A 49 5.045 3.782 8.981 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.326 3.287 8.763 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.102 3.643 7.974 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.654 2.671 7.572 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.428 3.029 6.780 1.00 0.00 C ATOM 721 CZ PHE A 49 5.704 2.543 6.579 1.00 0.00 C ATOM 0 H PHE A 49 4.698 6.613 8.433 1.00 0.00 H new ATOM 0 HA PHE A 49 4.654 6.309 11.363 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.190 3.901 11.098 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.610 4.310 10.458 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.074 3.386 9.536 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.101 4.019 8.125 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.653 2.290 7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.684 2.929 6.004 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.959 2.063 5.646 1.00 0.00 H new ATOM 731 N ASP A 50 7.163 6.347 9.254 1.00 0.00 N ATOM 732 CA ASP A 50 8.628 6.482 9.199 1.00 0.00 C ATOM 733 C ASP A 50 9.109 6.780 7.777 1.00 0.00 C ATOM 734 O ASP A 50 9.603 7.874 7.500 1.00 0.00 O ATOM 735 CB ASP A 50 9.311 5.205 9.724 1.00 0.00 C ATOM 736 CG ASP A 50 10.793 5.401 10.027 1.00 0.00 C ATOM 737 OD1 ASP A 50 11.117 5.981 11.085 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.645 4.958 9.233 1.00 0.00 O ATOM 0 H ASP A 50 6.691 6.426 8.353 1.00 0.00 H new ATOM 0 HA ASP A 50 8.903 7.322 9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.802 4.874 10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.199 4.411 8.986 1.00 0.00 H new ATOM 743 N ILE A 51 8.943 5.808 6.876 1.00 0.00 N ATOM 744 CA ILE A 51 9.410 5.940 5.490 1.00 0.00 C ATOM 745 C ILE A 51 8.381 5.389 4.512 1.00 0.00 C ATOM 746 O ILE A 51 7.398 4.762 4.914 1.00 0.00 O ATOM 747 CB ILE A 51 10.761 5.207 5.225 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.621 3.667 5.335 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.857 5.723 6.150 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.274 3.140 6.719 1.00 0.00 C ATOM 0 H ILE A 51 8.488 4.918 7.081 1.00 0.00 H new ATOM 0 HA ILE A 51 9.558 7.009 5.337 1.00 0.00 H new ATOM 0 HB ILE A 51 11.049 5.431 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.852 3.338 4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.558 3.210 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.787 5.194 5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.002 6.790 5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.567 5.554 7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.200 2.053 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.053 3.429 7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.320 3.559 7.039 1.00 0.00 H new ATOM 762 N GLU A 52 8.615 5.641 3.226 1.00 0.00 N ATOM 763 CA GLU A 52 7.821 5.046 2.159 1.00 0.00 C ATOM 764 C GLU A 52 8.576 3.867 1.549 1.00 0.00 C ATOM 765 O GLU A 52 9.766 3.672 1.818 1.00 0.00 O ATOM 766 CB GLU A 52 7.436 6.086 1.083 1.00 0.00 C ATOM 767 CG GLU A 52 8.453 7.206 0.854 1.00 0.00 C ATOM 768 CD GLU A 52 9.828 6.714 0.437 1.00 0.00 C ATOM 769 OE1 GLU A 52 10.011 6.369 -0.747 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.741 6.693 1.293 1.00 0.00 O ATOM 0 H GLU A 52 9.356 6.260 2.898 1.00 0.00 H new ATOM 0 HA GLU A 52 6.888 4.681 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.278 5.564 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.483 6.536 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.071 7.879 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.549 7.789 1.770 1.00 0.00 H new ATOM 777 N PHE A 53 7.878 3.080 0.744 1.00 0.00 N ATOM 778 CA PHE A 53 8.433 1.850 0.192 1.00 0.00 C ATOM 779 C PHE A 53 9.595 2.144 -0.762 1.00 0.00 C ATOM 780 O PHE A 53 9.424 2.845 -1.760 1.00 0.00 O ATOM 781 CB PHE A 53 7.325 1.062 -0.513 1.00 0.00 C ATOM 782 CG PHE A 53 6.144 0.799 0.388 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.275 -0.026 1.497 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.912 1.392 0.142 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.203 -0.258 2.338 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.838 1.164 0.983 1.00 0.00 C ATOM 787 CZ PHE A 53 3.986 0.339 2.082 1.00 0.00 C ATOM 0 H PHE A 53 6.919 3.272 0.456 1.00 0.00 H new ATOM 0 HA PHE A 53 8.833 1.247 1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.992 1.615 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.727 0.113 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.227 -0.492 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.792 2.038 -0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.318 -0.906 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.885 1.630 0.781 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.149 0.162 2.741 1.00 0.00 H new ATOM 797 N PRO A 54 10.798 1.609 -0.458 1.00 0.00 N ATOM 798 CA PRO A 54 12.007 1.873 -1.249 1.00 0.00 C ATOM 799 C PRO A 54 11.918 1.307 -2.665 1.00 0.00 C ATOM 800 O PRO A 54 11.292 0.267 -2.895 1.00 0.00 O ATOM 801 CB PRO A 54 13.120 1.175 -0.450 1.00 0.00 C ATOM 802 CG PRO A 54 12.414 0.116 0.324 1.00 0.00 C ATOM 803 CD PRO A 54 11.072 0.702 0.674 1.00 0.00 C ATOM 0 HA PRO A 54 12.175 2.941 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.875 0.748 -1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.633 1.874 0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.303 -0.794 -0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.972 -0.152 1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.307 -0.069 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.101 1.238 1.622 1.00 0.00 H new ATOM 811 N ASP A 55 12.574 1.994 -3.600 1.00 0.00 N ATOM 812 CA ASP A 55 12.605 1.594 -5.010 1.00 0.00 C ATOM 813 C ASP A 55 13.024 0.130 -5.156 1.00 0.00 C ATOM 814 O ASP A 55 12.646 -0.545 -6.115 1.00 0.00 O ATOM 815 CB ASP A 55 13.583 2.484 -5.792 1.00 0.00 C ATOM 816 CG ASP A 55 15.039 2.196 -5.447 1.00 0.00 C ATOM 817 OD1 ASP A 55 15.446 2.463 -4.298 1.00 0.00 O ATOM 818 OD2 ASP A 55 15.778 1.697 -6.322 1.00 0.00 O ATOM 0 H ASP A 55 13.100 2.845 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 55 11.600 1.713 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.430 2.334 -6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.364 3.531 -5.582 1.00 0.00 H new ATOM 823 N ASN A 56 13.810 -0.342 -4.191 1.00 0.00 N ATOM 824 CA ASN A 56 14.297 -1.721 -4.181 1.00 0.00 C ATOM 825 C ASN A 56 13.142 -2.722 -4.246 1.00 0.00 C ATOM 826 O ASN A 56 13.203 -3.704 -4.993 1.00 0.00 O ATOM 827 CB ASN A 56 15.143 -1.975 -2.924 1.00 0.00 C ATOM 828 CG ASN A 56 15.713 -3.385 -2.876 1.00 0.00 C ATOM 829 OD1 ASN A 56 15.089 -4.304 -2.347 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.906 -3.563 -3.427 1.00 0.00 N ATOM 0 H ASN A 56 14.126 0.216 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 56 14.916 -1.863 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.961 -1.255 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.531 -1.804 -2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.337 -4.487 -3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.392 -2.776 -3.856 1.00 0.00 H new ATOM 837 N LEU A 57 12.086 -2.467 -3.472 1.00 0.00 N ATOM 838 CA LEU A 57 10.934 -3.370 -3.420 1.00 0.00 C ATOM 839 C LEU A 57 9.729 -2.754 -4.125 1.00 0.00 C ATOM 840 O LEU A 57 8.694 -3.405 -4.278 1.00 0.00 O ATOM 841 CB LEU A 57 10.592 -3.738 -1.959 1.00 0.00 C ATOM 842 CG LEU A 57 10.112 -2.586 -1.041 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.621 -2.289 -1.240 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.400 -2.910 0.426 1.00 0.00 C ATOM 0 H LEU A 57 12.004 -1.645 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 57 11.197 -4.288 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.817 -4.505 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.476 -4.187 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 57 10.669 -1.691 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.321 -1.476 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.443 -2.000 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.038 -3.180 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.056 -2.089 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.878 -3.825 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.472 -3.048 0.564 1.00 0.00 H new ATOM 856 N LEU A 58 9.858 -1.492 -4.538 1.00 0.00 N ATOM 857 CA LEU A 58 8.788 -0.807 -5.256 1.00 0.00 C ATOM 858 C LEU A 58 8.561 -1.515 -6.590 1.00 0.00 C ATOM 859 O LEU A 58 9.158 -1.163 -7.611 1.00 0.00 O ATOM 860 CB LEU A 58 9.135 0.683 -5.455 1.00 0.00 C ATOM 861 CG LEU A 58 7.941 1.639 -5.690 1.00 0.00 C ATOM 862 CD1 LEU A 58 8.401 3.094 -5.623 1.00 0.00 C ATOM 863 CD2 LEU A 58 7.251 1.360 -7.027 1.00 0.00 C ATOM 0 H LEU A 58 10.693 -0.926 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 58 7.867 -0.844 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.681 1.027 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.812 0.766 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 58 7.214 1.461 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.549 3.753 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.828 3.296 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.154 3.273 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.418 2.050 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.965 1.495 -7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.879 0.336 -7.037 1.00 0.00 H new ATOM 875 N ASN A 59 7.722 -2.542 -6.553 1.00 0.00 N ATOM 876 CA ASN A 59 7.501 -3.417 -7.694 1.00 0.00 C ATOM 877 C ASN A 59 6.151 -4.121 -7.544 1.00 0.00 C ATOM 878 O ASN A 59 5.680 -4.339 -6.420 1.00 0.00 O ATOM 879 CB ASN A 59 8.663 -4.434 -7.775 1.00 0.00 C ATOM 880 CG ASN A 59 8.599 -5.372 -8.975 1.00 0.00 C ATOM 881 OD1 ASN A 59 7.532 -5.803 -9.395 1.00 0.00 O ATOM 882 ND2 ASN A 59 9.754 -5.696 -9.534 1.00 0.00 N ATOM 0 H ASN A 59 7.175 -2.791 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 59 7.478 -2.841 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.606 -3.888 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.671 -5.031 -6.863 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.773 -6.322 -10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.625 -5.320 -9.160 1.00 0.00 H new ATOM 889 N ARG A 60 5.538 -4.459 -8.677 1.00 0.00 N ATOM 890 CA ARG A 60 4.237 -5.131 -8.714 1.00 0.00 C ATOM 891 C ARG A 60 4.198 -6.329 -7.761 1.00 0.00 C ATOM 892 O ARG A 60 3.151 -6.654 -7.208 1.00 0.00 O ATOM 893 CB ARG A 60 3.931 -5.597 -10.148 1.00 0.00 C ATOM 894 CG ARG A 60 4.902 -6.658 -10.669 1.00 0.00 C ATOM 895 CD ARG A 60 4.687 -6.967 -12.147 1.00 0.00 C ATOM 896 NE ARG A 60 4.990 -5.816 -13.002 1.00 0.00 N ATOM 897 CZ ARG A 60 5.471 -5.909 -14.244 1.00 0.00 C ATOM 898 NH1 ARG A 60 5.739 -7.101 -14.769 1.00 0.00 N ATOM 899 NH2 ARG A 60 5.693 -4.809 -14.953 1.00 0.00 N ATOM 0 H ARG A 60 5.930 -4.274 -9.600 1.00 0.00 H new ATOM 0 HA ARG A 60 3.480 -4.417 -8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.917 -5.996 -10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.957 -4.735 -10.814 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.926 -6.316 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.782 -7.573 -10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.317 -7.808 -12.436 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.653 -7.274 -12.306 1.00 0.00 H new ATOM 0 HE ARG A 60 4.823 -4.884 -12.624 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.577 -7.947 -14.223 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.106 -7.169 -15.718 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.496 -3.893 -14.549 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.060 -4.879 -15.902 1.00 0.00 H new ATOM 913 N LYS A 61 5.352 -6.970 -7.572 1.00 0.00 N ATOM 914 CA LYS A 61 5.457 -8.148 -6.713 1.00 0.00 C ATOM 915 C LYS A 61 5.029 -7.835 -5.278 1.00 0.00 C ATOM 916 O LYS A 61 4.266 -8.588 -4.671 1.00 0.00 O ATOM 917 CB LYS A 61 6.894 -8.699 -6.730 1.00 0.00 C ATOM 918 CG LYS A 61 7.095 -9.931 -5.846 1.00 0.00 C ATOM 919 CD LYS A 61 8.478 -10.556 -6.027 1.00 0.00 C ATOM 920 CE LYS A 61 9.604 -9.608 -5.626 1.00 0.00 C ATOM 921 NZ LYS A 61 10.943 -10.216 -5.855 1.00 0.00 N ATOM 0 H LYS A 61 6.232 -6.690 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 61 4.781 -8.906 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.164 -8.952 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.577 -7.915 -6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.959 -9.652 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.331 -10.672 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.543 -11.466 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.607 -10.849 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.522 -8.683 -6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.500 -9.343 -4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.683 -9.543 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.031 -11.085 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.052 -10.445 -6.863 1.00 0.00 H new ATOM 935 N SER A 62 5.514 -6.716 -4.749 1.00 0.00 N ATOM 936 CA SER A 62 5.225 -6.328 -3.372 1.00 0.00 C ATOM 937 C SER A 62 3.858 -5.648 -3.271 1.00 0.00 C ATOM 938 O SER A 62 3.124 -5.851 -2.305 1.00 0.00 O ATOM 939 CB SER A 62 6.328 -5.400 -2.851 1.00 0.00 C ATOM 940 OG SER A 62 7.598 -6.026 -2.948 1.00 0.00 O ATOM 0 H SER A 62 6.110 -6.060 -5.254 1.00 0.00 H new ATOM 0 HA SER A 62 5.197 -7.227 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.330 -4.472 -3.423 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.126 -5.134 -1.813 1.00 0.00 H new ATOM 0 HG SER A 62 8.239 -5.404 -3.351 1.00 0.00 H new ATOM 946 N PHE A 63 3.521 -4.852 -4.283 1.00 0.00 N ATOM 947 CA PHE A 63 2.243 -4.131 -4.313 1.00 0.00 C ATOM 948 C PHE A 63 1.098 -5.040 -4.774 1.00 0.00 C ATOM 949 O PHE A 63 -0.043 -4.594 -4.900 1.00 0.00 O ATOM 950 CB PHE A 63 2.350 -2.896 -5.223 1.00 0.00 C ATOM 951 CG PHE A 63 3.175 -1.776 -4.632 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.547 -1.913 -4.471 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.574 -0.590 -4.228 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.300 -0.891 -3.922 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.325 0.433 -3.679 1.00 0.00 C ATOM 956 CZ PHE A 63 4.689 0.281 -3.525 1.00 0.00 C ATOM 0 H PHE A 63 4.114 -4.687 -5.096 1.00 0.00 H new ATOM 0 HA PHE A 63 2.018 -3.804 -3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.788 -3.194 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.348 -2.524 -5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.032 -2.828 -4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.507 -0.466 -4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.367 -1.010 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.845 1.350 -3.371 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.277 1.078 -3.094 1.00 0.00 H new ATOM 966 N ALA A 64 1.411 -6.308 -5.025 1.00 0.00 N ATOM 967 CA ALA A 64 0.403 -7.289 -5.422 1.00 0.00 C ATOM 968 C ALA A 64 -0.552 -7.578 -4.265 1.00 0.00 C ATOM 969 O ALA A 64 -1.777 -7.580 -4.435 1.00 0.00 O ATOM 970 CB ALA A 64 1.073 -8.576 -5.894 1.00 0.00 C ATOM 0 H ALA A 64 2.358 -6.682 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.175 -6.874 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.310 -9.297 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.715 -8.360 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.674 -8.991 -5.085 1.00 0.00 H new ATOM 976 N SER A 65 0.020 -7.804 -3.086 1.00 0.00 N ATOM 977 CA SER A 65 -0.754 -8.122 -1.896 1.00 0.00 C ATOM 978 C SER A 65 -0.115 -7.481 -0.660 1.00 0.00 C ATOM 979 O SER A 65 1.111 -7.355 -0.576 1.00 0.00 O ATOM 980 CB SER A 65 -0.868 -9.643 -1.737 1.00 0.00 C ATOM 981 OG SER A 65 0.408 -10.264 -1.761 1.00 0.00 O ATOM 0 H SER A 65 1.028 -7.772 -2.931 1.00 0.00 H new ATOM 0 HA SER A 65 -1.759 -7.714 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.370 -9.875 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.487 -10.049 -2.538 1.00 0.00 H new ATOM 0 HG SER A 65 0.305 -11.215 -1.976 1.00 0.00 H new ATOM 987 N ILE A 66 -0.953 -7.095 0.297 1.00 0.00 N ATOM 988 CA ILE A 66 -0.511 -6.312 1.449 1.00 0.00 C ATOM 989 C ILE A 66 0.435 -7.096 2.360 1.00 0.00 C ATOM 990 O ILE A 66 1.509 -6.603 2.696 1.00 0.00 O ATOM 991 CB ILE A 66 -1.717 -5.798 2.274 1.00 0.00 C ATOM 992 CG1 ILE A 66 -2.594 -4.883 1.404 1.00 0.00 C ATOM 993 CG2 ILE A 66 -1.245 -5.069 3.535 1.00 0.00 C ATOM 994 CD1 ILE A 66 -3.840 -4.368 2.094 1.00 0.00 C ATOM 0 H ILE A 66 -1.949 -7.313 0.298 1.00 0.00 H new ATOM 0 HA ILE A 66 0.038 -5.461 1.045 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.314 -6.653 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.997 -4.032 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.889 -5.429 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.110 -4.718 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.663 -5.752 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.625 -4.218 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.399 -3.731 1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.463 -5.210 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.556 -3.792 2.975 1.00 0.00 H new ATOM 1006 N LYS A 67 0.046 -8.314 2.746 1.00 0.00 N ATOM 1007 CA LYS A 67 0.819 -9.083 3.732 1.00 0.00 C ATOM 1008 C LYS A 67 2.287 -9.219 3.315 1.00 0.00 C ATOM 1009 O LYS A 67 3.173 -9.319 4.160 1.00 0.00 O ATOM 1010 CB LYS A 67 0.213 -10.477 3.986 1.00 0.00 C ATOM 1011 CG LYS A 67 0.377 -11.475 2.839 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.608 -11.222 1.707 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.444 -12.238 0.583 1.00 0.00 C ATOM 1014 NZ LYS A 67 -0.480 -13.641 1.079 1.00 0.00 N ATOM 0 H LYS A 67 -0.788 -8.786 2.398 1.00 0.00 H new ATOM 0 HA LYS A 67 0.772 -8.520 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.671 -10.898 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.850 -10.361 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.394 -11.416 2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.238 -12.487 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.626 -11.267 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.460 -10.216 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.236 -12.094 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.502 -12.060 0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.569 -14.292 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.398 -13.849 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.294 -13.764 1.715 1.00 0.00 H new ATOM 1028 N ALA A 68 2.536 -9.205 2.009 1.00 0.00 N ATOM 1029 CA ALA A 68 3.890 -9.332 1.488 1.00 0.00 C ATOM 1030 C ALA A 68 4.672 -8.034 1.683 1.00 0.00 C ATOM 1031 O ALA A 68 5.809 -8.043 2.166 1.00 0.00 O ATOM 1032 CB ALA A 68 3.850 -9.715 0.013 1.00 0.00 C ATOM 0 H ALA A 68 1.816 -9.107 1.293 1.00 0.00 H new ATOM 0 HA ALA A 68 4.400 -10.120 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.868 -9.807 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.332 -10.667 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.322 -8.945 -0.549 1.00 0.00 H new ATOM 1038 N ILE A 69 4.054 -6.916 1.314 1.00 0.00 N ATOM 1039 CA ILE A 69 4.722 -5.619 1.364 1.00 0.00 C ATOM 1040 C ILE A 69 4.887 -5.132 2.811 1.00 0.00 C ATOM 1041 O ILE A 69 5.921 -4.556 3.165 1.00 0.00 O ATOM 1042 CB ILE A 69 3.970 -4.559 0.509 1.00 0.00 C ATOM 1043 CG1 ILE A 69 4.826 -3.295 0.329 1.00 0.00 C ATOM 1044 CG2 ILE A 69 2.616 -4.206 1.127 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.219 -2.281 -0.620 1.00 0.00 C ATOM 0 H ILE A 69 3.092 -6.882 0.977 1.00 0.00 H new ATOM 0 HA ILE A 69 5.716 -5.750 0.937 1.00 0.00 H new ATOM 0 HB ILE A 69 3.788 -4.995 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.975 -2.826 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.810 -3.582 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.115 -3.463 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.999 -5.103 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.767 -3.800 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.878 -1.416 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.095 -2.733 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.247 -1.964 -0.241 1.00 0.00 H new ATOM 1057 N GLU A 70 3.883 -5.392 3.654 1.00 0.00 N ATOM 1058 CA GLU A 70 3.914 -4.948 5.049 1.00 0.00 C ATOM 1059 C GLU A 70 4.947 -5.748 5.836 1.00 0.00 C ATOM 1060 O GLU A 70 5.573 -5.231 6.760 1.00 0.00 O ATOM 1061 CB GLU A 70 2.510 -5.039 5.692 1.00 0.00 C ATOM 1062 CG GLU A 70 1.926 -6.453 5.808 1.00 0.00 C ATOM 1063 CD GLU A 70 2.279 -7.159 7.113 1.00 0.00 C ATOM 1064 OE1 GLU A 70 1.771 -6.743 8.173 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.061 -8.132 7.089 1.00 0.00 O ATOM 0 H GLU A 70 3.041 -5.906 3.395 1.00 0.00 H new ATOM 0 HA GLU A 70 4.211 -3.900 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.557 -4.602 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.822 -4.428 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.841 -6.397 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.284 -7.054 4.972 1.00 0.00 H new ATOM 1072 N ASP A 71 5.139 -7.001 5.444 1.00 0.00 N ATOM 1073 CA ASP A 71 6.140 -7.865 6.069 1.00 0.00 C ATOM 1074 C ASP A 71 7.544 -7.348 5.784 1.00 0.00 C ATOM 1075 O ASP A 71 8.424 -7.378 6.648 1.00 0.00 O ATOM 1076 CB ASP A 71 5.995 -9.305 5.555 1.00 0.00 C ATOM 1077 CG ASP A 71 7.045 -10.246 6.126 1.00 0.00 C ATOM 1078 OD1 ASP A 71 6.984 -10.546 7.338 1.00 0.00 O ATOM 1079 OD2 ASP A 71 7.928 -10.699 5.366 1.00 0.00 O ATOM 0 H ASP A 71 4.613 -7.446 4.692 1.00 0.00 H new ATOM 0 HA ASP A 71 5.978 -7.857 7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.003 -9.678 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.066 -9.306 4.467 1.00 0.00 H new ATOM 1084 N THR A 72 7.735 -6.852 4.569 1.00 0.00 N ATOM 1085 CA THR A 72 9.039 -6.383 4.124 1.00 0.00 C ATOM 1086 C THR A 72 9.395 -5.029 4.752 1.00 0.00 C ATOM 1087 O THR A 72 10.543 -4.801 5.139 1.00 0.00 O ATOM 1088 CB THR A 72 9.082 -6.282 2.583 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.631 -7.521 2.011 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.494 -5.976 2.086 1.00 0.00 C ATOM 0 H THR A 72 6.997 -6.764 3.870 1.00 0.00 H new ATOM 0 HA THR A 72 9.780 -7.112 4.453 1.00 0.00 H new ATOM 0 HB THR A 72 8.428 -5.466 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.660 -7.597 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.491 -5.911 0.998 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.830 -5.027 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.171 -6.771 2.400 1.00 0.00 H new ATOM 1098 N VAL A 73 8.409 -4.137 4.870 1.00 0.00 N ATOM 1099 CA VAL A 73 8.652 -2.806 5.433 1.00 0.00 C ATOM 1100 C VAL A 73 9.048 -2.903 6.912 1.00 0.00 C ATOM 1101 O VAL A 73 9.790 -2.061 7.424 1.00 0.00 O ATOM 1102 CB VAL A 73 7.430 -1.860 5.264 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.236 -2.335 6.085 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.802 -0.419 5.622 1.00 0.00 C ATOM 0 H VAL A 73 7.444 -4.309 4.587 1.00 0.00 H new ATOM 0 HA VAL A 73 9.480 -2.373 4.871 1.00 0.00 H new ATOM 0 HB VAL A 73 7.137 -1.885 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.401 -1.650 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.945 -3.334 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.507 -2.361 7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.931 0.224 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.137 -0.377 6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.603 -0.077 4.967 1.00 0.00 H new ATOM 1114 N LYS A 74 8.558 -3.942 7.589 1.00 0.00 N ATOM 1115 CA LYS A 74 8.924 -4.202 8.985 1.00 0.00 C ATOM 1116 C LYS A 74 10.435 -4.385 9.113 1.00 0.00 C ATOM 1117 O LYS A 74 11.055 -3.908 10.069 1.00 0.00 O ATOM 1118 CB LYS A 74 8.199 -5.454 9.501 1.00 0.00 C ATOM 1119 CG LYS A 74 6.684 -5.294 9.581 1.00 0.00 C ATOM 1120 CD LYS A 74 5.976 -6.629 9.809 1.00 0.00 C ATOM 1121 CE LYS A 74 4.460 -6.462 9.811 1.00 0.00 C ATOM 1122 NZ LYS A 74 3.747 -7.769 9.834 1.00 0.00 N ATOM 0 H LYS A 74 7.905 -4.619 7.194 1.00 0.00 H new ATOM 0 HA LYS A 74 8.621 -3.345 9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.433 -6.294 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.582 -5.703 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.435 -4.609 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.318 -4.843 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.265 -7.334 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.298 -7.056 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.163 -5.873 10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.157 -5.901 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.776 -7.641 9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.248 -8.448 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.718 -8.132 10.808 1.00 0.00 H new ATOM 1136 N LEU A 75 11.019 -5.062 8.128 1.00 0.00 N ATOM 1137 CA LEU A 75 12.455 -5.330 8.111 1.00 0.00 C ATOM 1138 C LEU A 75 13.249 -4.026 8.028 1.00 0.00 C ATOM 1139 O LEU A 75 14.352 -3.923 8.568 1.00 0.00 O ATOM 1140 CB LEU A 75 12.813 -6.246 6.932 1.00 0.00 C ATOM 1141 CG LEU A 75 12.112 -7.617 6.929 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.496 -8.419 5.690 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.443 -8.396 8.202 1.00 0.00 C ATOM 0 H LEU A 75 10.515 -5.438 7.325 1.00 0.00 H new ATOM 0 HA LEU A 75 12.719 -5.834 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.568 -5.729 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.891 -6.407 6.933 1.00 0.00 H new ATOM 0 HG LEU A 75 11.036 -7.448 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.989 -9.384 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.199 -7.871 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.575 -8.576 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.938 -9.362 8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.520 -8.552 8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.108 -7.831 9.072 1.00 0.00 H new ATOM 1155 N ILE A 76 12.674 -3.029 7.359 1.00 0.00 N ATOM 1156 CA ILE A 76 13.310 -1.719 7.231 1.00 0.00 C ATOM 1157 C ILE A 76 13.463 -1.073 8.607 1.00 0.00 C ATOM 1158 O ILE A 76 14.472 -0.431 8.901 1.00 0.00 O ATOM 1159 CB ILE A 76 12.494 -0.775 6.308 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.317 -1.406 4.915 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.168 0.596 6.197 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.483 -0.573 3.963 1.00 0.00 C ATOM 0 H ILE A 76 11.768 -3.103 6.897 1.00 0.00 H new ATOM 0 HA ILE A 76 14.291 -1.873 6.782 1.00 0.00 H new ATOM 0 HB ILE A 76 11.508 -0.632 6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.300 -1.569 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.852 -2.385 5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.578 1.240 5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.238 1.048 7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.168 0.477 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.405 -1.085 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.486 -0.432 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.957 0.398 3.818 1.00 0.00 H new ATOM 1174 N LEU A 77 12.451 -1.259 9.450 1.00 0.00 N ATOM 1175 CA LEU A 77 12.475 -0.729 10.810 1.00 0.00 C ATOM 1176 C LEU A 77 13.373 -1.580 11.705 1.00 0.00 C ATOM 1177 O LEU A 77 13.939 -1.083 12.684 1.00 0.00 O ATOM 1178 CB LEU A 77 11.055 -0.635 11.388 1.00 0.00 C ATOM 1179 CG LEU A 77 10.121 0.349 10.661 1.00 0.00 C ATOM 1180 CD1 LEU A 77 8.780 0.455 11.379 1.00 0.00 C ATOM 1181 CD2 LEU A 77 10.775 1.726 10.533 1.00 0.00 C ATOM 0 H LEU A 77 11.603 -1.774 9.215 1.00 0.00 H new ATOM 0 HA LEU A 77 12.889 0.279 10.774 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.603 -1.627 11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.124 -0.341 12.435 1.00 0.00 H new ATOM 0 HG LEU A 77 9.940 -0.037 9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.137 1.156 10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.304 -0.525 11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.939 0.810 12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.096 2.404 10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.994 2.119 11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.701 1.637 9.966 1.00 0.00 H new ATOM 1193 N ASP A 78 13.489 -2.866 11.379 1.00 0.00 N ATOM 1194 CA ASP A 78 14.412 -3.753 12.087 1.00 0.00 C ATOM 1195 C ASP A 78 15.839 -3.242 11.910 1.00 0.00 C ATOM 1196 O ASP A 78 16.582 -3.084 12.877 1.00 0.00 O ATOM 1197 CB ASP A 78 14.308 -5.195 11.564 1.00 0.00 C ATOM 1198 CG ASP A 78 15.247 -6.157 12.287 1.00 0.00 C ATOM 1199 OD1 ASP A 78 16.466 -6.151 11.999 1.00 0.00 O ATOM 1200 OD2 ASP A 78 14.775 -6.929 13.146 1.00 0.00 O ATOM 0 H ASP A 78 12.959 -3.316 10.633 1.00 0.00 H new ATOM 0 HA ASP A 78 14.146 -3.757 13.144 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.281 -5.544 11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.534 -5.207 10.498 1.00 0.00 H new ATOM 1205 N GLY A 79 16.201 -2.974 10.659 1.00 0.00 N ATOM 1206 CA GLY A 79 17.516 -2.445 10.352 1.00 0.00 C ATOM 1207 C GLY A 79 17.469 -0.966 10.023 1.00 0.00 C ATOM 1208 O GLY A 79 17.841 -0.561 8.918 1.00 0.00 O ATOM 0 H GLY A 79 15.601 -3.116 9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.180 -2.607 11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.939 -2.991 9.509 1.00 0.00 H new