USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot -97:sc= -0.388 USER MOD Set 1.2: A 51 GLN : amide:sc= -8.87! C(o=-9.3!,f=-30!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -150:sc= -1.94 USER MOD Single : A 20 SER OG : rot -56:sc= 0.417 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0.0853 USER MOD Single : A 28 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.0047) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.277 (180deg=-0.277) USER MOD Single : A 39 ASN : amide:sc= -0.0938 K(o=-0.094,f=-1.3!) USER MOD Single : A 41 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.9!) USER MOD Single : A 45 MET CE :methyl -106:sc= -0.209 (180deg=-2.06!) USER MOD Single : A 46 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.5) USER MOD Single : A 48 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.93) USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -0.238 (180deg=-1.23!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.762 13.597 -3.166 1.00 0.00 N ATOM 2 CA ILE A 6 0.097 14.160 -2.086 1.00 0.00 C ATOM 3 C ILE A 6 1.529 13.612 -2.265 1.00 0.00 C ATOM 4 O ILE A 6 1.705 12.451 -2.579 1.00 0.00 O ATOM 5 CB ILE A 6 -0.505 13.742 -0.708 1.00 0.00 C ATOM 6 CG1 ILE A 6 -1.296 14.919 -0.111 1.00 0.00 C ATOM 7 CG2 ILE A 6 0.586 13.307 0.295 1.00 0.00 C ATOM 8 CD1 ILE A 6 -2.043 14.458 1.141 1.00 0.00 C ATOM 0 HA ILE A 6 0.134 15.248 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.161 12.889 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.618 15.735 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.003 15.305 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.120 13.025 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.133 12.455 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.276 14.134 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.602 15.295 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.733 13.656 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.327 14.094 1.878 1.00 0.00 H new ATOM 20 N PRO A 7 2.548 14.417 -2.052 1.00 0.00 N ATOM 21 CA PRO A 7 3.948 13.939 -2.186 1.00 0.00 C ATOM 22 C PRO A 7 4.151 12.603 -1.452 1.00 0.00 C ATOM 23 O PRO A 7 3.934 12.490 -0.262 1.00 0.00 O ATOM 24 CB PRO A 7 4.820 15.056 -1.580 1.00 0.00 C ATOM 25 CG PRO A 7 3.926 16.258 -1.376 1.00 0.00 C ATOM 26 CD PRO A 7 2.474 15.840 -1.677 1.00 0.00 C ATOM 0 HA PRO A 7 4.213 13.747 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.255 14.734 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.649 15.301 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.011 16.625 -0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.230 17.073 -2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.835 15.984 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.052 16.438 -2.485 1.00 0.00 H new ATOM 34 N ILE A 8 4.547 11.594 -2.171 1.00 0.00 N ATOM 35 CA ILE A 8 4.755 10.252 -1.576 1.00 0.00 C ATOM 36 C ILE A 8 5.536 10.327 -0.242 1.00 0.00 C ATOM 37 O ILE A 8 5.488 9.411 0.551 1.00 0.00 O ATOM 38 CB ILE A 8 5.528 9.417 -2.601 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.492 7.955 -2.191 1.00 0.00 C ATOM 40 CG2 ILE A 8 6.961 9.904 -2.684 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.274 7.117 -3.204 1.00 0.00 C ATOM 0 H ILE A 8 4.739 11.647 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 8 3.791 9.799 -1.345 1.00 0.00 H new ATOM 0 HB ILE A 8 5.065 9.524 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.922 7.835 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.460 7.608 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.507 9.307 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.973 10.950 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.436 9.806 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.247 6.069 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.825 7.227 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.309 7.458 -3.237 1.00 0.00 H new ATOM 53 N TRP A 9 6.267 11.391 0.009 1.00 0.00 N ATOM 54 CA TRP A 9 7.055 11.488 1.299 1.00 0.00 C ATOM 55 C TRP A 9 6.258 12.282 2.349 1.00 0.00 C ATOM 56 O TRP A 9 6.761 12.568 3.417 1.00 0.00 O ATOM 57 CB TRP A 9 8.414 12.194 1.040 1.00 0.00 C ATOM 58 CG TRP A 9 8.287 13.036 -0.179 1.00 0.00 C ATOM 59 CD1 TRP A 9 7.761 14.279 -0.224 1.00 0.00 C ATOM 60 CD2 TRP A 9 8.646 12.691 -1.537 1.00 0.00 C ATOM 61 NE1 TRP A 9 7.769 14.715 -1.532 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.296 13.767 -2.381 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.229 11.552 -2.112 1.00 0.00 C ATOM 64 CZ2 TRP A 9 8.508 13.712 -3.753 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.439 11.491 -3.493 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.075 12.568 -4.311 1.00 0.00 C ATOM 0 H TRP A 9 6.356 12.194 -0.614 1.00 0.00 H new ATOM 0 HA TRP A 9 7.236 10.480 1.673 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.690 12.808 1.897 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.205 11.456 0.909 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.395 14.839 0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.427 15.627 -1.834 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.516 10.720 -1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.236 14.548 -4.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.884 10.610 -3.931 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.234 12.512 -5.378 1.00 0.00 H new ATOM 77 N GLU A 10 5.028 12.646 2.057 1.00 0.00 N ATOM 78 CA GLU A 10 4.207 13.432 3.045 1.00 0.00 C ATOM 79 C GLU A 10 2.924 12.665 3.384 1.00 0.00 C ATOM 80 O GLU A 10 2.209 13.017 4.302 1.00 0.00 O ATOM 81 CB GLU A 10 3.844 14.800 2.433 1.00 0.00 C ATOM 82 CG GLU A 10 4.958 15.814 2.721 1.00 0.00 C ATOM 83 CD GLU A 10 4.580 17.173 2.129 1.00 0.00 C ATOM 84 OE1 GLU A 10 3.462 17.605 2.355 1.00 0.00 O ATOM 85 OE2 GLU A 10 5.416 17.759 1.461 1.00 0.00 O ATOM 0 H GLU A 10 4.556 12.434 1.178 1.00 0.00 H new ATOM 0 HA GLU A 10 4.785 13.580 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.701 14.700 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.901 15.155 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.112 15.905 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.898 15.468 2.292 1.00 0.00 H new ATOM 92 N ARG A 11 2.620 11.625 2.660 1.00 0.00 N ATOM 93 CA ARG A 11 1.377 10.856 2.964 1.00 0.00 C ATOM 94 C ARG A 11 1.638 9.913 4.140 1.00 0.00 C ATOM 95 O ARG A 11 2.700 9.908 4.727 1.00 0.00 O ATOM 96 CB ARG A 11 0.928 10.036 1.732 1.00 0.00 C ATOM 97 CG ARG A 11 2.138 9.600 0.892 1.00 0.00 C ATOM 98 CD ARG A 11 3.092 8.733 1.730 1.00 0.00 C ATOM 99 NE ARG A 11 4.052 9.610 2.460 1.00 0.00 N ATOM 100 CZ ARG A 11 4.794 9.116 3.413 1.00 0.00 C ATOM 101 NH1 ARG A 11 4.695 7.855 3.731 1.00 0.00 N ATOM 102 NH2 ARG A 11 5.635 9.885 4.050 1.00 0.00 N ATOM 0 H ARG A 11 3.172 11.275 1.877 1.00 0.00 H new ATOM 0 HA ARG A 11 0.584 11.558 3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.371 9.157 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.252 10.633 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.800 9.040 0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.666 10.478 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.524 8.129 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.634 8.042 1.084 1.00 0.00 H new ATOM 0 HE ARG A 11 4.129 10.597 2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.037 7.254 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.275 7.470 4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.712 10.872 3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.215 9.499 4.795 1.00 0.00 H new ATOM 116 N TYR A 12 0.665 9.109 4.471 1.00 0.00 N ATOM 117 CA TYR A 12 0.814 8.132 5.590 1.00 0.00 C ATOM 118 C TYR A 12 0.716 6.733 4.992 1.00 0.00 C ATOM 119 O TYR A 12 1.018 5.742 5.626 1.00 0.00 O ATOM 120 CB TYR A 12 -0.319 8.339 6.597 1.00 0.00 C ATOM 121 CG TYR A 12 -1.633 8.453 5.856 1.00 0.00 C ATOM 122 CD1 TYR A 12 -1.947 9.629 5.164 1.00 0.00 C ATOM 123 CD2 TYR A 12 -2.534 7.381 5.858 1.00 0.00 C ATOM 124 CE1 TYR A 12 -3.162 9.733 4.475 1.00 0.00 C ATOM 125 CE2 TYR A 12 -3.749 7.485 5.170 1.00 0.00 C ATOM 126 CZ TYR A 12 -4.062 8.661 4.478 1.00 0.00 C ATOM 127 OH TYR A 12 -5.260 8.762 3.800 1.00 0.00 O ATOM 0 H TYR A 12 -0.243 9.087 4.006 1.00 0.00 H new ATOM 0 HA TYR A 12 1.768 8.267 6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.355 7.505 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.140 9.240 7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.252 10.456 5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.292 6.473 6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.404 10.640 3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.444 6.659 5.173 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.766 7.929 3.903 1.00 0.00 H new ATOM 137 N THR A 13 0.292 6.664 3.756 1.00 0.00 N ATOM 138 CA THR A 13 0.152 5.356 3.056 1.00 0.00 C ATOM 139 C THR A 13 0.592 5.533 1.594 1.00 0.00 C ATOM 140 O THR A 13 0.799 6.639 1.135 1.00 0.00 O ATOM 141 CB THR A 13 -1.324 4.928 3.093 1.00 0.00 C ATOM 142 OG1 THR A 13 -2.133 6.070 2.848 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.706 4.332 4.461 1.00 0.00 C ATOM 0 H THR A 13 0.033 7.475 3.194 1.00 0.00 H new ATOM 0 HA THR A 13 0.767 4.598 3.541 1.00 0.00 H new ATOM 0 HB THR A 13 -1.481 4.163 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.439 6.443 3.701 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.756 4.041 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.089 3.456 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.544 5.077 5.240 1.00 0.00 H new ATOM 151 N LEU A 14 0.727 4.452 0.862 1.00 0.00 N ATOM 152 CA LEU A 14 1.146 4.534 -0.579 1.00 0.00 C ATOM 153 C LEU A 14 0.070 3.886 -1.453 1.00 0.00 C ATOM 154 O LEU A 14 -0.515 2.887 -1.099 1.00 0.00 O ATOM 155 CB LEU A 14 2.488 3.789 -0.772 1.00 0.00 C ATOM 156 CG LEU A 14 3.673 4.756 -0.608 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.891 5.095 0.872 1.00 0.00 C ATOM 158 CD2 LEU A 14 4.937 4.103 -1.166 1.00 0.00 C ATOM 0 H LEU A 14 0.563 3.505 1.204 1.00 0.00 H new ATOM 0 HA LEU A 14 1.271 5.578 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.569 2.980 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.518 3.333 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 14 3.454 5.675 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.733 5.780 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.993 5.565 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.101 4.181 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.780 4.785 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.140 3.181 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.794 3.877 -2.223 1.00 0.00 H new ATOM 170 N THR A 15 -0.193 4.452 -2.595 1.00 0.00 N ATOM 171 CA THR A 15 -1.229 3.871 -3.487 1.00 0.00 C ATOM 172 C THR A 15 -0.645 2.693 -4.248 1.00 0.00 C ATOM 173 O THR A 15 0.421 2.201 -3.937 1.00 0.00 O ATOM 174 CB THR A 15 -1.677 4.919 -4.499 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.556 5.358 -5.249 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.299 6.099 -3.772 1.00 0.00 C ATOM 0 H THR A 15 0.265 5.292 -2.949 1.00 0.00 H new ATOM 0 HA THR A 15 -2.075 3.545 -2.881 1.00 0.00 H new ATOM 0 HB THR A 15 -2.416 4.482 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.692 6.288 -5.527 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.618 6.847 -4.498 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.161 5.759 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.565 6.539 -3.097 1.00 0.00 H new ATOM 184 N ILE A 16 -1.327 2.254 -5.264 1.00 0.00 N ATOM 185 CA ILE A 16 -0.807 1.131 -6.067 1.00 0.00 C ATOM 186 C ILE A 16 0.411 1.637 -6.847 1.00 0.00 C ATOM 187 O ILE A 16 1.405 0.954 -6.991 1.00 0.00 O ATOM 188 CB ILE A 16 -1.892 0.675 -7.060 1.00 0.00 C ATOM 189 CG1 ILE A 16 -2.950 -0.189 -6.335 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.244 -0.117 -8.211 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.499 -1.654 -6.253 1.00 0.00 C ATOM 0 H ILE A 16 -2.225 2.629 -5.570 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.531 0.294 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.390 1.552 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.117 0.201 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.901 -0.126 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.015 -0.438 -8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.524 0.517 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.733 -0.992 -7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.260 -2.241 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.356 -2.047 -7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.560 -1.715 -5.702 1.00 0.00 H new ATOM 203 N GLU A 17 0.319 2.832 -7.364 1.00 0.00 N ATOM 204 CA GLU A 17 1.450 3.394 -8.153 1.00 0.00 C ATOM 205 C GLU A 17 2.627 3.677 -7.224 1.00 0.00 C ATOM 206 O GLU A 17 3.745 3.290 -7.500 1.00 0.00 O ATOM 207 CB GLU A 17 1.017 4.681 -8.874 1.00 0.00 C ATOM 208 CG GLU A 17 0.227 5.590 -7.929 1.00 0.00 C ATOM 209 CD GLU A 17 -0.186 6.860 -8.675 1.00 0.00 C ATOM 210 OE1 GLU A 17 -0.337 6.790 -9.884 1.00 0.00 O ATOM 211 OE2 GLU A 17 -0.344 7.880 -8.025 1.00 0.00 O ATOM 0 H GLU A 17 -0.492 3.444 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 17 1.754 2.668 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.895 5.209 -9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.406 4.430 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.656 5.069 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.834 5.846 -7.061 1.00 0.00 H new ATOM 218 N GLU A 18 2.399 4.328 -6.115 1.00 0.00 N ATOM 219 CA GLU A 18 3.526 4.592 -5.194 1.00 0.00 C ATOM 220 C GLU A 18 4.035 3.248 -4.672 1.00 0.00 C ATOM 221 O GLU A 18 5.211 3.065 -4.451 1.00 0.00 O ATOM 222 CB GLU A 18 3.060 5.470 -4.024 1.00 0.00 C ATOM 223 CG GLU A 18 2.407 6.765 -4.533 1.00 0.00 C ATOM 224 CD GLU A 18 3.279 7.419 -5.607 1.00 0.00 C ATOM 225 OE1 GLU A 18 3.197 6.994 -6.748 1.00 0.00 O ATOM 226 OE2 GLU A 18 4.013 8.333 -5.272 1.00 0.00 O ATOM 0 H GLU A 18 1.491 4.682 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 18 4.323 5.120 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.349 4.917 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.910 5.713 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.420 6.546 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.262 7.457 -3.703 1.00 0.00 H new ATOM 233 N ALA A 19 3.159 2.294 -4.491 1.00 0.00 N ATOM 234 CA ALA A 19 3.613 0.961 -4.002 1.00 0.00 C ATOM 235 C ALA A 19 4.468 0.297 -5.080 1.00 0.00 C ATOM 236 O ALA A 19 5.578 -0.118 -4.833 1.00 0.00 O ATOM 237 CB ALA A 19 2.404 0.076 -3.688 1.00 0.00 C ATOM 0 H ALA A 19 2.157 2.380 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 19 4.200 1.091 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.747 -0.895 -3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.796 0.551 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.807 -0.059 -4.590 1.00 0.00 H new ATOM 243 N SER A 20 3.967 0.180 -6.275 1.00 0.00 N ATOM 244 CA SER A 20 4.779 -0.469 -7.336 1.00 0.00 C ATOM 245 C SER A 20 6.156 0.205 -7.413 1.00 0.00 C ATOM 246 O SER A 20 7.162 -0.447 -7.575 1.00 0.00 O ATOM 247 CB SER A 20 4.057 -0.345 -8.670 1.00 0.00 C ATOM 248 OG SER A 20 4.297 0.943 -9.221 1.00 0.00 O ATOM 0 H SER A 20 3.042 0.501 -6.561 1.00 0.00 H new ATOM 0 HA SER A 20 4.916 -1.525 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.405 -1.117 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.987 -0.500 -8.532 1.00 0.00 H new ATOM 0 HG SER A 20 4.016 1.630 -8.581 1.00 0.00 H new ATOM 254 N LYS A 21 6.216 1.501 -7.289 1.00 0.00 N ATOM 255 CA LYS A 21 7.542 2.187 -7.338 1.00 0.00 C ATOM 256 C LYS A 21 8.275 1.970 -6.009 1.00 0.00 C ATOM 257 O LYS A 21 9.344 1.400 -5.951 1.00 0.00 O ATOM 258 CB LYS A 21 7.333 3.685 -7.563 1.00 0.00 C ATOM 259 CG LYS A 21 8.695 4.384 -7.641 1.00 0.00 C ATOM 260 CD LYS A 21 8.508 5.855 -8.038 1.00 0.00 C ATOM 261 CE LYS A 21 8.035 6.673 -6.831 1.00 0.00 C ATOM 262 NZ LYS A 21 8.066 8.123 -7.172 1.00 0.00 N ATOM 0 H LYS A 21 5.411 2.114 -7.157 1.00 0.00 H new ATOM 0 HA LYS A 21 8.135 1.776 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.774 3.851 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.742 4.107 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.201 4.320 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.330 3.880 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.447 6.260 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.780 5.932 -8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.025 6.376 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.676 6.477 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.745 8.679 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.037 8.401 -7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.437 8.303 -7.981 1.00 0.00 H new ATOM 276 N TYR A 22 7.689 2.444 -4.947 1.00 0.00 N ATOM 277 CA TYR A 22 8.292 2.315 -3.584 1.00 0.00 C ATOM 278 C TYR A 22 8.377 0.832 -3.175 1.00 0.00 C ATOM 279 O TYR A 22 9.436 0.310 -2.891 1.00 0.00 O ATOM 280 CB TYR A 22 7.355 3.063 -2.626 1.00 0.00 C ATOM 281 CG TYR A 22 8.069 3.564 -1.393 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.167 2.747 -0.262 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.583 4.866 -1.366 1.00 0.00 C ATOM 284 CE1 TYR A 22 8.782 3.228 0.898 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.205 5.349 -0.209 1.00 0.00 C ATOM 286 CZ TYR A 22 9.303 4.530 0.925 1.00 0.00 C ATOM 287 OH TYR A 22 9.910 5.006 2.069 1.00 0.00 O ATOM 0 H TYR A 22 6.792 2.930 -4.964 1.00 0.00 H new ATOM 0 HA TYR A 22 9.302 2.725 -3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.904 3.906 -3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.542 2.401 -2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.767 1.744 -0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.500 5.498 -2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.856 2.598 1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.609 6.351 -0.190 1.00 0.00 H new ATOM 0 HH TYR A 22 10.217 5.925 1.919 1.00 0.00 H new ATOM 297 N PHE A 23 7.253 0.164 -3.149 1.00 0.00 N ATOM 298 CA PHE A 23 7.206 -1.280 -2.767 1.00 0.00 C ATOM 299 C PHE A 23 7.267 -2.134 -4.031 1.00 0.00 C ATOM 300 O PHE A 23 6.300 -2.764 -4.393 1.00 0.00 O ATOM 301 CB PHE A 23 5.890 -1.571 -2.027 1.00 0.00 C ATOM 302 CG PHE A 23 5.993 -1.094 -0.600 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.675 0.228 -0.280 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.420 -1.973 0.398 1.00 0.00 C ATOM 305 CE1 PHE A 23 5.784 0.675 1.042 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.527 -1.532 1.720 1.00 0.00 C ATOM 307 CZ PHE A 23 6.211 -0.206 2.044 1.00 0.00 C ATOM 0 H PHE A 23 6.346 0.568 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 23 8.050 -1.514 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.061 -1.071 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.678 -2.640 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.345 0.906 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.668 -2.994 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.539 1.697 1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.853 -2.213 2.492 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.296 0.136 3.065 1.00 0.00 H new ATOM 317 N ARG A 24 8.380 -2.133 -4.713 1.00 0.00 N ATOM 318 CA ARG A 24 8.498 -2.930 -5.978 1.00 0.00 C ATOM 319 C ARG A 24 7.831 -4.301 -5.825 1.00 0.00 C ATOM 320 O ARG A 24 8.459 -5.284 -5.489 1.00 0.00 O ATOM 321 CB ARG A 24 9.980 -3.114 -6.355 1.00 0.00 C ATOM 322 CG ARG A 24 10.550 -1.819 -6.986 1.00 0.00 C ATOM 323 CD ARG A 24 11.131 -0.909 -5.897 1.00 0.00 C ATOM 324 NE ARG A 24 11.762 0.282 -6.531 1.00 0.00 N ATOM 325 CZ ARG A 24 12.060 1.326 -5.807 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.799 1.329 -4.528 1.00 0.00 N ATOM 327 NH2 ARG A 24 12.617 2.366 -6.362 1.00 0.00 N ATOM 0 H ARG A 24 9.218 -1.614 -4.451 1.00 0.00 H new ATOM 0 HA ARG A 24 7.989 -2.382 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.556 -3.376 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.082 -3.942 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.324 -2.070 -7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.764 -1.293 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.344 -0.595 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.868 -1.454 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 24 11.961 0.282 -7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.362 0.515 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.032 2.145 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.820 2.363 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.850 3.182 -5.797 1.00 0.00 H new ATOM 341 N ILE A 25 6.555 -4.356 -6.099 1.00 0.00 N ATOM 342 CA ILE A 25 5.789 -5.636 -6.009 1.00 0.00 C ATOM 343 C ILE A 25 4.882 -5.705 -7.254 1.00 0.00 C ATOM 344 O ILE A 25 4.636 -4.706 -7.900 1.00 0.00 O ATOM 345 CB ILE A 25 4.962 -5.631 -4.684 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.653 -6.493 -3.603 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.548 -6.181 -4.895 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.948 -5.832 -3.099 1.00 0.00 C ATOM 0 H ILE A 25 5.999 -3.551 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 25 6.439 -6.511 -5.988 1.00 0.00 H new ATOM 0 HB ILE A 25 4.902 -4.592 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.971 -6.645 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.881 -7.478 -4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.005 -6.161 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.024 -5.567 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.607 -7.207 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.408 -6.465 -2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.639 -5.704 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.715 -4.858 -2.667 1.00 0.00 H new ATOM 360 N GLY A 26 4.390 -6.864 -7.599 1.00 0.00 N ATOM 361 CA GLY A 26 3.513 -6.966 -8.804 1.00 0.00 C ATOM 362 C GLY A 26 2.273 -6.083 -8.624 1.00 0.00 C ATOM 363 O GLY A 26 1.489 -6.269 -7.715 1.00 0.00 O ATOM 0 H GLY A 26 4.555 -7.740 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.064 -6.657 -9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.213 -8.002 -8.959 1.00 0.00 H new ATOM 367 N GLU A 27 2.095 -5.121 -9.489 1.00 0.00 N ATOM 368 CA GLU A 27 0.913 -4.214 -9.388 1.00 0.00 C ATOM 369 C GLU A 27 -0.378 -5.041 -9.277 1.00 0.00 C ATOM 370 O GLU A 27 -1.294 -4.690 -8.559 1.00 0.00 O ATOM 371 CB GLU A 27 0.840 -3.347 -10.655 1.00 0.00 C ATOM 372 CG GLU A 27 1.840 -2.190 -10.555 1.00 0.00 C ATOM 373 CD GLU A 27 2.112 -1.619 -11.949 1.00 0.00 C ATOM 374 OE1 GLU A 27 1.186 -1.088 -12.541 1.00 0.00 O ATOM 375 OE2 GLU A 27 3.240 -1.722 -12.401 1.00 0.00 O ATOM 0 H GLU A 27 2.723 -4.922 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 27 1.016 -3.586 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.059 -3.953 -11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.170 -2.956 -10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.445 -1.411 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.770 -2.539 -10.107 1.00 0.00 H new ATOM 382 N ASN A 28 -0.464 -6.117 -10.011 1.00 0.00 N ATOM 383 CA ASN A 28 -1.701 -6.957 -9.990 1.00 0.00 C ATOM 384 C ASN A 28 -1.951 -7.547 -8.600 1.00 0.00 C ATOM 385 O ASN A 28 -3.082 -7.707 -8.184 1.00 0.00 O ATOM 386 CB ASN A 28 -1.547 -8.100 -10.992 1.00 0.00 C ATOM 387 CG ASN A 28 -1.324 -7.529 -12.393 1.00 0.00 C ATOM 388 OD1 ASN A 28 -0.356 -7.857 -13.049 1.00 0.00 O ATOM 389 ND2 ASN A 28 -2.187 -6.681 -12.884 1.00 0.00 N ATOM 0 H ASN A 28 0.274 -6.454 -10.629 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.548 -6.324 -10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.707 -8.734 -10.709 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.438 -8.728 -10.982 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.048 -6.295 -13.818 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.000 -6.405 -12.334 1.00 0.00 H new ATOM 396 N LYS A 29 -0.921 -7.888 -7.882 1.00 0.00 N ATOM 397 CA LYS A 29 -1.131 -8.483 -6.531 1.00 0.00 C ATOM 398 C LYS A 29 -1.701 -7.420 -5.600 1.00 0.00 C ATOM 399 O LYS A 29 -2.771 -7.567 -5.055 1.00 0.00 O ATOM 400 CB LYS A 29 0.204 -8.964 -5.957 1.00 0.00 C ATOM 401 CG LYS A 29 0.933 -9.882 -6.963 1.00 0.00 C ATOM 402 CD LYS A 29 2.448 -9.767 -6.767 1.00 0.00 C ATOM 403 CE LYS A 29 2.838 -10.350 -5.408 1.00 0.00 C ATOM 404 NZ LYS A 29 4.313 -10.236 -5.224 1.00 0.00 N ATOM 0 H LYS A 29 0.053 -7.782 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.818 -9.325 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.833 -8.106 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.032 -9.502 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.616 -10.915 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.667 -9.603 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.969 -10.298 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.754 -8.722 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.319 -9.819 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.533 -11.395 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.579 -10.632 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.799 -10.761 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.592 -9.235 -5.265 1.00 0.00 H new ATOM 418 N LEU A 30 -0.976 -6.356 -5.412 1.00 0.00 N ATOM 419 CA LEU A 30 -1.448 -5.260 -4.504 1.00 0.00 C ATOM 420 C LEU A 30 -2.944 -4.989 -4.714 1.00 0.00 C ATOM 421 O LEU A 30 -3.699 -4.863 -3.771 1.00 0.00 O ATOM 422 CB LEU A 30 -0.663 -3.980 -4.811 1.00 0.00 C ATOM 423 CG LEU A 30 0.773 -4.084 -4.261 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.719 -3.218 -5.106 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.817 -3.598 -2.806 1.00 0.00 C ATOM 0 H LEU A 30 -0.069 -6.191 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.286 -5.568 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.635 -3.812 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.168 -3.121 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 30 1.089 -5.126 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.732 -3.296 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.704 -3.564 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.393 -2.179 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.836 -3.676 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.491 -2.559 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.155 -4.214 -2.197 1.00 0.00 H new ATOM 437 N ARG A 31 -3.374 -4.877 -5.941 1.00 0.00 N ATOM 438 CA ARG A 31 -4.815 -4.588 -6.206 1.00 0.00 C ATOM 439 C ARG A 31 -5.696 -5.733 -5.694 1.00 0.00 C ATOM 440 O ARG A 31 -6.709 -5.508 -5.062 1.00 0.00 O ATOM 441 CB ARG A 31 -5.027 -4.414 -7.713 1.00 0.00 C ATOM 442 CG ARG A 31 -6.465 -3.950 -7.987 1.00 0.00 C ATOM 443 CD ARG A 31 -6.553 -3.357 -9.396 1.00 0.00 C ATOM 444 NE ARG A 31 -5.608 -2.211 -9.509 1.00 0.00 N ATOM 445 CZ ARG A 31 -5.284 -1.747 -10.684 1.00 0.00 C ATOM 446 NH1 ARG A 31 -5.789 -2.284 -11.760 1.00 0.00 N ATOM 447 NH2 ARG A 31 -4.453 -0.745 -10.781 1.00 0.00 N ATOM 0 H ARG A 31 -2.791 -4.973 -6.772 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.094 -3.673 -5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.319 -3.685 -8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.835 -5.356 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.153 -4.790 -7.891 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.765 -3.206 -7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.311 -4.117 -10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.571 -3.025 -9.600 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.214 -1.789 -8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.438 -3.067 -11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.535 -1.921 -12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.058 -0.326 -9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.198 -0.381 -11.699 1.00 0.00 H new ATOM 461 N ARG A 32 -5.333 -6.955 -5.968 1.00 0.00 N ATOM 462 CA ARG A 32 -6.168 -8.100 -5.500 1.00 0.00 C ATOM 463 C ARG A 32 -5.900 -8.375 -4.019 1.00 0.00 C ATOM 464 O ARG A 32 -6.728 -8.926 -3.323 1.00 0.00 O ATOM 465 CB ARG A 32 -5.821 -9.351 -6.316 1.00 0.00 C ATOM 466 CG ARG A 32 -6.289 -9.183 -7.772 1.00 0.00 C ATOM 467 CD ARG A 32 -7.777 -9.539 -7.902 1.00 0.00 C ATOM 468 NE ARG A 32 -8.150 -9.582 -9.343 1.00 0.00 N ATOM 469 CZ ARG A 32 -9.263 -10.154 -9.709 1.00 0.00 C ATOM 470 NH1 ARG A 32 -10.052 -10.679 -8.812 1.00 0.00 N ATOM 471 NH2 ARG A 32 -9.587 -10.200 -10.971 1.00 0.00 N ATOM 0 H ARG A 32 -4.497 -7.211 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.220 -7.850 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.745 -9.524 -6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.296 -10.226 -5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.125 -8.156 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.697 -9.823 -8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.974 -10.504 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.386 -8.802 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.536 -9.165 -10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.798 -10.642 -7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.923 -11.127 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.970 -9.789 -11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.458 -10.647 -11.258 1.00 0.00 H new ATOM 485 N LEU A 33 -4.750 -8.003 -3.534 1.00 0.00 N ATOM 486 CA LEU A 33 -4.423 -8.249 -2.102 1.00 0.00 C ATOM 487 C LEU A 33 -5.354 -7.414 -1.214 1.00 0.00 C ATOM 488 O LEU A 33 -5.869 -7.887 -0.221 1.00 0.00 O ATOM 489 CB LEU A 33 -2.948 -7.862 -1.855 1.00 0.00 C ATOM 490 CG LEU A 33 -2.334 -8.740 -0.745 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.852 -10.074 -1.334 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.138 -8.012 -0.115 1.00 0.00 C ATOM 0 H LEU A 33 -4.018 -7.537 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.564 -9.302 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.377 -7.979 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.885 -6.811 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.094 -8.931 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.420 -10.686 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.695 -10.600 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.098 -9.883 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.705 -8.634 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.386 -7.817 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.472 -7.067 0.314 1.00 0.00 H new ATOM 504 N ALA A 34 -5.572 -6.177 -1.567 1.00 0.00 N ATOM 505 CA ALA A 34 -6.469 -5.314 -0.747 1.00 0.00 C ATOM 506 C ALA A 34 -7.928 -5.620 -1.088 1.00 0.00 C ATOM 507 O ALA A 34 -8.767 -5.744 -0.218 1.00 0.00 O ATOM 508 CB ALA A 34 -6.179 -3.844 -1.053 1.00 0.00 C ATOM 0 H ALA A 34 -5.168 -5.726 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.292 -5.512 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.834 -3.212 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.140 -3.620 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.356 -3.651 -2.111 1.00 0.00 H new ATOM 514 N GLU A 35 -8.238 -5.736 -2.349 1.00 0.00 N ATOM 515 CA GLU A 35 -9.643 -6.026 -2.747 1.00 0.00 C ATOM 516 C GLU A 35 -10.067 -7.392 -2.198 1.00 0.00 C ATOM 517 O GLU A 35 -11.239 -7.670 -2.041 1.00 0.00 O ATOM 518 CB GLU A 35 -9.751 -6.029 -4.276 1.00 0.00 C ATOM 519 CG GLU A 35 -11.218 -5.890 -4.686 1.00 0.00 C ATOM 520 CD GLU A 35 -11.348 -6.095 -6.196 1.00 0.00 C ATOM 521 OE1 GLU A 35 -10.922 -5.221 -6.932 1.00 0.00 O ATOM 522 OE2 GLU A 35 -11.873 -7.124 -6.591 1.00 0.00 O ATOM 0 H GLU A 35 -7.578 -5.642 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.299 -5.258 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.167 -5.209 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.336 -6.953 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.826 -6.623 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.592 -4.905 -4.409 1.00 0.00 H new ATOM 529 N GLU A 36 -9.126 -8.249 -1.907 1.00 0.00 N ATOM 530 CA GLU A 36 -9.472 -9.590 -1.375 1.00 0.00 C ATOM 531 C GLU A 36 -9.647 -9.509 0.146 1.00 0.00 C ATOM 532 O GLU A 36 -10.589 -10.041 0.701 1.00 0.00 O ATOM 533 CB GLU A 36 -8.338 -10.557 -1.722 1.00 0.00 C ATOM 534 CG GLU A 36 -8.541 -11.874 -0.984 1.00 0.00 C ATOM 535 CD GLU A 36 -7.647 -12.954 -1.598 1.00 0.00 C ATOM 536 OE1 GLU A 36 -6.451 -12.909 -1.361 1.00 0.00 O ATOM 537 OE2 GLU A 36 -8.173 -13.804 -2.297 1.00 0.00 O ATOM 0 H GLU A 36 -8.127 -8.073 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.405 -9.942 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.313 -10.732 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.378 -10.120 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.304 -11.750 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.586 -12.177 -1.043 1.00 0.00 H new ATOM 544 N ASN A 37 -8.740 -8.850 0.822 1.00 0.00 N ATOM 545 CA ASN A 37 -8.829 -8.729 2.313 1.00 0.00 C ATOM 546 C ASN A 37 -9.263 -7.309 2.691 1.00 0.00 C ATOM 547 O ASN A 37 -8.551 -6.592 3.366 1.00 0.00 O ATOM 548 CB ASN A 37 -7.455 -9.014 2.922 1.00 0.00 C ATOM 549 CG ASN A 37 -7.046 -10.454 2.609 1.00 0.00 C ATOM 550 OD1 ASN A 37 -7.504 -11.380 3.249 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.198 -10.685 1.644 1.00 0.00 N ATOM 0 H ASN A 37 -7.934 -8.386 0.403 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.559 -9.444 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.717 -8.320 2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.485 -8.860 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.920 -11.642 1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.813 -9.908 1.106 1.00 0.00 H new ATOM 558 N LYS A 38 -10.424 -6.899 2.260 1.00 0.00 N ATOM 559 CA LYS A 38 -10.910 -5.527 2.591 1.00 0.00 C ATOM 560 C LYS A 38 -10.674 -5.226 4.075 1.00 0.00 C ATOM 561 O LYS A 38 -10.697 -4.086 4.496 1.00 0.00 O ATOM 562 CB LYS A 38 -12.410 -5.436 2.298 1.00 0.00 C ATOM 563 CG LYS A 38 -12.682 -5.775 0.826 1.00 0.00 C ATOM 564 CD LYS A 38 -12.332 -4.581 -0.071 1.00 0.00 C ATOM 565 CE LYS A 38 -12.929 -4.800 -1.463 1.00 0.00 C ATOM 566 NZ LYS A 38 -12.559 -3.659 -2.347 1.00 0.00 N ATOM 0 H LYS A 38 -11.061 -7.457 1.690 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.364 -4.803 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.957 -6.123 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.772 -4.432 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.094 -6.644 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.731 -6.041 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.721 -3.660 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.250 -4.469 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.561 -5.735 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.014 -4.885 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.964 -3.807 -3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.931 -2.774 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.523 -3.598 -2.420 1.00 0.00 H new ATOM 580 N ASN A 39 -10.462 -6.240 4.875 1.00 0.00 N ATOM 581 CA ASN A 39 -10.240 -6.023 6.338 1.00 0.00 C ATOM 582 C ASN A 39 -8.743 -6.076 6.650 1.00 0.00 C ATOM 583 O ASN A 39 -8.341 -6.177 7.793 1.00 0.00 O ATOM 584 CB ASN A 39 -10.960 -7.125 7.117 1.00 0.00 C ATOM 585 CG ASN A 39 -12.465 -6.851 7.123 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.887 -5.714 7.188 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.299 -7.854 7.059 1.00 0.00 N ATOM 0 H ASN A 39 -10.433 -7.215 4.576 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.630 -5.046 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.759 -8.096 6.663 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.584 -7.167 8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.304 -7.682 7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.945 -8.809 7.004 1.00 0.00 H new ATOM 594 N ALA A 40 -7.914 -6.008 5.648 1.00 0.00 N ATOM 595 CA ALA A 40 -6.445 -6.054 5.893 1.00 0.00 C ATOM 596 C ALA A 40 -6.062 -4.956 6.894 1.00 0.00 C ATOM 597 O ALA A 40 -6.655 -3.900 6.928 1.00 0.00 O ATOM 598 CB ALA A 40 -5.713 -5.826 4.564 1.00 0.00 C ATOM 0 H ALA A 40 -8.189 -5.923 4.669 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.164 -7.024 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.636 -5.858 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.993 -6.606 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.989 -4.852 4.159 1.00 0.00 H new ATOM 604 N ASN A 41 -5.078 -5.200 7.712 1.00 0.00 N ATOM 605 CA ASN A 41 -4.656 -4.163 8.697 1.00 0.00 C ATOM 606 C ASN A 41 -3.736 -3.143 8.012 1.00 0.00 C ATOM 607 O ASN A 41 -3.477 -2.077 8.536 1.00 0.00 O ATOM 608 CB ASN A 41 -3.904 -4.831 9.851 1.00 0.00 C ATOM 609 CG ASN A 41 -3.648 -3.806 10.958 1.00 0.00 C ATOM 610 OD1 ASN A 41 -4.059 -2.667 10.856 1.00 0.00 O ATOM 611 ND2 ASN A 41 -2.981 -4.165 12.022 1.00 0.00 N ATOM 0 H ASN A 41 -4.547 -6.071 7.743 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.538 -3.652 9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.485 -5.666 10.242 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.959 -5.240 9.494 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.806 -3.490 12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.635 -5.121 12.109 1.00 0.00 H new ATOM 618 N TRP A 42 -3.205 -3.482 6.861 1.00 0.00 N ATOM 619 CA TRP A 42 -2.256 -2.559 6.152 1.00 0.00 C ATOM 620 C TRP A 42 -2.938 -1.801 5.000 1.00 0.00 C ATOM 621 O TRP A 42 -2.379 -0.862 4.468 1.00 0.00 O ATOM 622 CB TRP A 42 -1.109 -3.397 5.580 1.00 0.00 C ATOM 623 CG TRP A 42 -1.680 -4.581 4.870 1.00 0.00 C ATOM 624 CD1 TRP A 42 -1.755 -5.831 5.381 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.264 -4.647 3.538 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.352 -6.660 4.448 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.684 -5.975 3.295 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.470 -3.691 2.527 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.289 -6.342 2.094 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.077 -4.057 1.316 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.488 -5.379 1.099 1.00 0.00 C ATOM 0 H TRP A 42 -3.388 -4.362 6.379 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.896 -1.821 6.869 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.511 -2.798 4.893 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.444 -3.722 6.380 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.406 -6.133 6.358 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.526 -7.655 4.593 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.159 -2.669 2.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.602 -7.363 1.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.228 -3.315 0.546 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.957 -5.654 0.166 1.00 0.00 H new ATOM 642 N LEU A 43 -4.115 -2.198 4.581 1.00 0.00 N ATOM 643 CA LEU A 43 -4.780 -1.494 3.438 1.00 0.00 C ATOM 644 C LEU A 43 -5.692 -0.376 3.958 1.00 0.00 C ATOM 645 O LEU A 43 -6.032 -0.323 5.123 1.00 0.00 O ATOM 646 CB LEU A 43 -5.572 -2.547 2.624 1.00 0.00 C ATOM 647 CG LEU A 43 -7.082 -2.616 3.002 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.297 -2.650 4.538 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.871 -1.436 2.364 1.00 0.00 C ATOM 0 H LEU A 43 -4.643 -2.975 4.978 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.039 -1.023 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.481 -2.318 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.122 -3.528 2.778 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.470 -3.551 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.364 -2.698 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.802 -3.527 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.876 -1.749 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.922 -1.508 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.464 -0.490 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.780 -1.482 1.279 1.00 0.00 H new ATOM 661 N ILE A 44 -6.077 0.524 3.092 1.00 0.00 N ATOM 662 CA ILE A 44 -6.954 1.652 3.495 1.00 0.00 C ATOM 663 C ILE A 44 -7.959 1.896 2.364 1.00 0.00 C ATOM 664 O ILE A 44 -7.713 1.554 1.224 1.00 0.00 O ATOM 665 CB ILE A 44 -6.068 2.895 3.703 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.330 2.812 5.056 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.908 4.171 3.645 1.00 0.00 C ATOM 668 CD1 ILE A 44 -6.315 2.704 6.233 1.00 0.00 C ATOM 0 H ILE A 44 -5.814 0.521 2.107 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.492 1.434 4.418 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.331 2.925 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.666 1.948 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.704 3.695 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.264 5.038 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.394 4.243 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.666 4.143 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.759 2.648 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.962 3.581 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.923 1.807 6.118 1.00 0.00 H new ATOM 680 N MET A 45 -9.090 2.483 2.669 1.00 0.00 N ATOM 681 CA MET A 45 -10.114 2.747 1.611 1.00 0.00 C ATOM 682 C MET A 45 -10.713 4.139 1.804 1.00 0.00 C ATOM 683 O MET A 45 -11.462 4.382 2.730 1.00 0.00 O ATOM 684 CB MET A 45 -11.231 1.701 1.704 1.00 0.00 C ATOM 685 CG MET A 45 -10.654 0.280 1.515 1.00 0.00 C ATOM 686 SD MET A 45 -11.814 -0.730 0.554 1.00 0.00 S ATOM 687 CE MET A 45 -11.687 0.175 -1.013 1.00 0.00 C ATOM 0 H MET A 45 -9.349 2.791 3.606 1.00 0.00 H new ATOM 0 HA MET A 45 -9.637 2.690 0.633 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.726 1.774 2.672 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.987 1.898 0.944 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.693 0.333 1.003 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.473 -0.181 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.590 0.766 -1.166 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.821 0.837 -0.982 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.573 -0.533 -1.834 1.00 0.00 H new ATOM 697 N ASN A 46 -10.396 5.050 0.920 1.00 0.00 N ATOM 698 CA ASN A 46 -10.945 6.439 1.013 1.00 0.00 C ATOM 699 C ASN A 46 -11.957 6.636 -0.115 1.00 0.00 C ATOM 700 O ASN A 46 -11.651 7.201 -1.146 1.00 0.00 O ATOM 701 CB ASN A 46 -9.805 7.448 0.858 1.00 0.00 C ATOM 702 CG ASN A 46 -8.984 7.495 2.147 1.00 0.00 C ATOM 703 OD1 ASN A 46 -8.269 6.564 2.460 1.00 0.00 O ATOM 704 ND2 ASN A 46 -9.057 8.548 2.915 1.00 0.00 N ATOM 0 H ASN A 46 -9.773 4.890 0.128 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.427 6.589 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.168 7.167 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.208 8.436 0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.514 8.589 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.657 9.330 2.653 1.00 0.00 H new ATOM 711 N GLY A 47 -13.156 6.154 0.065 1.00 0.00 N ATOM 712 CA GLY A 47 -14.183 6.292 -1.004 1.00 0.00 C ATOM 713 C GLY A 47 -13.975 5.186 -2.028 1.00 0.00 C ATOM 714 O GLY A 47 -14.737 4.244 -2.110 1.00 0.00 O ATOM 0 H GLY A 47 -13.468 5.670 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.184 6.228 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.102 7.269 -1.481 1.00 0.00 H new ATOM 718 N ASN A 48 -12.944 5.299 -2.817 1.00 0.00 N ATOM 719 CA ASN A 48 -12.676 4.261 -3.851 1.00 0.00 C ATOM 720 C ASN A 48 -11.166 4.122 -4.083 1.00 0.00 C ATOM 721 O ASN A 48 -10.718 3.220 -4.763 1.00 0.00 O ATOM 722 CB ASN A 48 -13.363 4.684 -5.147 1.00 0.00 C ATOM 723 CG ASN A 48 -13.459 3.484 -6.090 1.00 0.00 C ATOM 724 OD1 ASN A 48 -14.098 3.553 -7.122 1.00 0.00 O ATOM 725 ND2 ASN A 48 -12.843 2.381 -5.775 1.00 0.00 N ATOM 0 H ASN A 48 -12.274 6.067 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.062 3.298 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.359 5.072 -4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.802 5.489 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.896 1.572 -6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.307 2.325 -4.909 1.00 0.00 H new ATOM 732 N ARG A 49 -10.376 5.009 -3.536 1.00 0.00 N ATOM 733 CA ARG A 49 -8.900 4.927 -3.737 1.00 0.00 C ATOM 734 C ARG A 49 -8.277 4.057 -2.642 1.00 0.00 C ATOM 735 O ARG A 49 -8.382 4.353 -1.468 1.00 0.00 O ATOM 736 CB ARG A 49 -8.308 6.336 -3.655 1.00 0.00 C ATOM 737 CG ARG A 49 -8.986 7.243 -4.697 1.00 0.00 C ATOM 738 CD ARG A 49 -8.723 8.719 -4.368 1.00 0.00 C ATOM 739 NE ARG A 49 -9.772 9.575 -5.015 1.00 0.00 N ATOM 740 CZ ARG A 49 -10.026 9.496 -6.295 1.00 0.00 C ATOM 741 NH1 ARG A 49 -9.243 8.816 -7.087 1.00 0.00 N ATOM 742 NH2 ARG A 49 -11.037 10.152 -6.795 1.00 0.00 N ATOM 0 H ARG A 49 -10.691 5.788 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.689 4.488 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.452 6.744 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.233 6.301 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.607 7.012 -5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.059 7.052 -4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.733 8.868 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.734 9.010 -4.721 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.299 10.234 -4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.424 8.340 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.450 8.761 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.625 10.723 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.239 10.094 -7.793 1.00 0.00 H new ATOM 756 N ILE A 50 -7.620 2.989 -3.011 1.00 0.00 N ATOM 757 CA ILE A 50 -6.984 2.114 -1.983 1.00 0.00 C ATOM 758 C ILE A 50 -5.619 2.698 -1.608 1.00 0.00 C ATOM 759 O ILE A 50 -4.855 3.102 -2.463 1.00 0.00 O ATOM 760 CB ILE A 50 -6.803 0.699 -2.544 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.179 0.091 -2.836 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.072 -0.169 -1.514 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.008 -1.247 -3.560 1.00 0.00 C ATOM 0 H ILE A 50 -7.497 2.686 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.620 2.065 -1.099 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.219 0.742 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.728 -0.055 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.767 0.775 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.943 -1.175 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.095 0.265 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.657 -0.215 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.988 -1.677 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.477 -1.088 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.437 -1.930 -2.931 1.00 0.00 H new ATOM 775 N GLN A 51 -5.313 2.749 -0.333 1.00 0.00 N ATOM 776 CA GLN A 51 -3.998 3.311 0.128 1.00 0.00 C ATOM 777 C GLN A 51 -3.228 2.209 0.885 1.00 0.00 C ATOM 778 O GLN A 51 -3.787 1.484 1.685 1.00 0.00 O ATOM 779 CB GLN A 51 -4.280 4.523 1.055 1.00 0.00 C ATOM 780 CG GLN A 51 -3.856 5.851 0.395 1.00 0.00 C ATOM 781 CD GLN A 51 -2.343 5.880 0.141 1.00 0.00 C ATOM 782 OE1 GLN A 51 -1.692 4.861 0.154 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.752 7.024 -0.093 1.00 0.00 N ATOM 0 H GLN A 51 -5.923 2.423 0.417 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.395 3.643 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.342 4.558 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.744 4.396 1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.389 5.980 -0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.137 6.686 1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.297 7.886 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.747 7.053 -0.263 1.00 0.00 H new ATOM 792 N ILE A 52 -1.952 2.073 0.620 1.00 0.00 N ATOM 793 CA ILE A 52 -1.127 1.015 1.296 1.00 0.00 C ATOM 794 C ILE A 52 -0.351 1.628 2.469 1.00 0.00 C ATOM 795 O ILE A 52 0.261 2.662 2.336 1.00 0.00 O ATOM 796 CB ILE A 52 -0.106 0.448 0.296 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.799 0.040 -1.028 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.621 -0.751 0.920 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.478 -1.328 -0.911 1.00 0.00 C ATOM 0 H ILE A 52 -1.439 2.654 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.791 0.229 1.655 1.00 0.00 H new ATOM 0 HB ILE A 52 0.625 1.223 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.540 0.792 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.063 0.014 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.343 -1.149 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.140 -0.432 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.104 -1.525 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.953 -1.581 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.732 -2.084 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.232 -1.294 -0.125 1.00 0.00 H new ATOM 811 N LYS A 53 -0.335 0.990 3.608 1.00 0.00 N ATOM 812 CA LYS A 53 0.440 1.557 4.753 1.00 0.00 C ATOM 813 C LYS A 53 1.921 1.253 4.537 1.00 0.00 C ATOM 814 O LYS A 53 2.276 0.259 3.943 1.00 0.00 O ATOM 815 CB LYS A 53 -0.037 0.925 6.077 1.00 0.00 C ATOM 816 CG LYS A 53 -1.253 1.689 6.622 1.00 0.00 C ATOM 817 CD LYS A 53 -1.591 1.187 8.030 1.00 0.00 C ATOM 818 CE LYS A 53 -2.620 2.120 8.673 1.00 0.00 C ATOM 819 NZ LYS A 53 -2.096 3.515 8.675 1.00 0.00 N ATOM 0 H LYS A 53 -0.818 0.111 3.796 1.00 0.00 H new ATOM 0 HA LYS A 53 0.285 2.635 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.298 -0.121 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.771 0.943 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.041 2.758 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.108 1.550 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.986 0.172 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.688 1.148 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.560 2.075 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.831 1.798 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.508 4.039 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.061 3.497 8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.353 3.984 7.783 1.00 0.00 H new ATOM 833 N ARG A 54 2.788 2.110 5.011 1.00 0.00 N ATOM 834 CA ARG A 54 4.254 1.878 4.839 1.00 0.00 C ATOM 835 C ARG A 54 4.828 1.347 6.159 1.00 0.00 C ATOM 836 O ARG A 54 5.767 0.584 6.174 1.00 0.00 O ATOM 837 CB ARG A 54 4.948 3.202 4.477 1.00 0.00 C ATOM 838 CG ARG A 54 4.322 4.373 5.272 1.00 0.00 C ATOM 839 CD ARG A 54 5.406 5.390 5.657 1.00 0.00 C ATOM 840 NE ARG A 54 6.396 5.499 4.548 1.00 0.00 N ATOM 841 CZ ARG A 54 7.259 6.478 4.534 1.00 0.00 C ATOM 842 NH1 ARG A 54 7.268 7.353 5.502 1.00 0.00 N ATOM 843 NH2 ARG A 54 8.116 6.577 3.556 1.00 0.00 N ATOM 0 H ARG A 54 2.543 2.964 5.512 1.00 0.00 H new ATOM 0 HA ARG A 54 4.422 1.155 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.014 3.133 4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.854 3.389 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.553 4.860 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.834 3.993 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.955 6.363 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.904 5.078 6.575 1.00 0.00 H new ATOM 0 HE ARG A 54 6.399 4.807 3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.601 7.272 6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.942 8.118 5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.112 5.890 2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.791 7.342 3.545 1.00 0.00 H new ATOM 857 N LYS A 55 4.276 1.750 7.272 1.00 0.00 N ATOM 858 CA LYS A 55 4.811 1.262 8.578 1.00 0.00 C ATOM 859 C LYS A 55 4.641 -0.261 8.672 1.00 0.00 C ATOM 860 O LYS A 55 5.603 -0.995 8.768 1.00 0.00 O ATOM 861 CB LYS A 55 4.072 1.952 9.751 1.00 0.00 C ATOM 862 CG LYS A 55 2.591 2.245 9.383 1.00 0.00 C ATOM 863 CD LYS A 55 2.421 3.722 8.977 1.00 0.00 C ATOM 864 CE LYS A 55 2.282 4.598 10.228 1.00 0.00 C ATOM 865 NZ LYS A 55 2.577 6.016 9.877 1.00 0.00 N ATOM 0 H LYS A 55 3.485 2.390 7.335 1.00 0.00 H new ATOM 0 HA LYS A 55 5.871 1.508 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.111 1.315 10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.578 2.883 10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.278 1.598 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.947 2.018 10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.279 4.047 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.540 3.835 8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.273 4.515 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.966 4.254 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.483 6.610 10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.547 6.088 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.907 6.340 9.151 1.00 0.00 H new ATOM 879 N GLN A 56 3.429 -0.740 8.661 1.00 0.00 N ATOM 880 CA GLN A 56 3.204 -2.211 8.769 1.00 0.00 C ATOM 881 C GLN A 56 3.790 -2.939 7.552 1.00 0.00 C ATOM 882 O GLN A 56 4.159 -4.094 7.632 1.00 0.00 O ATOM 883 CB GLN A 56 1.700 -2.484 8.850 1.00 0.00 C ATOM 884 CG GLN A 56 1.163 -1.988 10.195 1.00 0.00 C ATOM 885 CD GLN A 56 -0.364 -1.900 10.137 1.00 0.00 C ATOM 886 OE1 GLN A 56 -0.962 -1.081 10.807 1.00 0.00 O ATOM 887 NE2 GLN A 56 -1.024 -2.714 9.360 1.00 0.00 N ATOM 0 H GLN A 56 2.582 -0.177 8.582 1.00 0.00 H new ATOM 0 HA GLN A 56 3.701 -2.579 9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.184 -1.981 8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.507 -3.551 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.468 -2.666 10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.585 -1.011 10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.522 -3.401 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.042 -2.663 9.315 1.00 0.00 H new ATOM 896 N PHE A 57 3.870 -2.285 6.423 1.00 0.00 N ATOM 897 CA PHE A 57 4.422 -2.956 5.204 1.00 0.00 C ATOM 898 C PHE A 57 5.956 -2.815 5.181 1.00 0.00 C ATOM 899 O PHE A 57 6.668 -3.791 5.107 1.00 0.00 O ATOM 900 CB PHE A 57 3.794 -2.304 3.954 1.00 0.00 C ATOM 901 CG PHE A 57 3.679 -3.302 2.806 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.750 -4.150 2.474 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.490 -3.371 2.064 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.630 -5.054 1.415 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.374 -4.278 1.003 1.00 0.00 C ATOM 906 CZ PHE A 57 3.444 -5.119 0.678 1.00 0.00 C ATOM 0 H PHE A 57 3.578 -1.317 6.290 1.00 0.00 H new ATOM 0 HA PHE A 57 4.179 -4.019 5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.806 -1.916 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.401 -1.455 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.669 -4.103 3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.662 -2.723 2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.456 -5.704 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.457 -4.328 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.354 -5.817 -0.141 1.00 0.00 H new ATOM 916 N GLU A 58 6.466 -1.616 5.228 1.00 0.00 N ATOM 917 CA GLU A 58 7.952 -1.427 5.194 1.00 0.00 C ATOM 918 C GLU A 58 8.628 -2.351 6.212 1.00 0.00 C ATOM 919 O GLU A 58 9.778 -2.714 6.064 1.00 0.00 O ATOM 920 CB GLU A 58 8.290 0.028 5.539 1.00 0.00 C ATOM 921 CG GLU A 58 9.783 0.296 5.309 1.00 0.00 C ATOM 922 CD GLU A 58 10.601 -0.276 6.470 1.00 0.00 C ATOM 923 OE1 GLU A 58 10.256 0.006 7.606 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.557 -0.985 6.202 1.00 0.00 O ATOM 0 H GLU A 58 5.922 -0.756 5.289 1.00 0.00 H new ATOM 0 HA GLU A 58 8.314 -1.668 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.694 0.703 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.033 0.232 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.102 -0.157 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.960 1.368 5.222 1.00 0.00 H new ATOM 931 N LYS A 59 7.935 -2.731 7.247 1.00 0.00 N ATOM 932 CA LYS A 59 8.563 -3.615 8.270 1.00 0.00 C ATOM 933 C LYS A 59 8.748 -5.017 7.691 1.00 0.00 C ATOM 934 O LYS A 59 9.383 -5.859 8.296 1.00 0.00 O ATOM 935 CB LYS A 59 7.646 -3.688 9.517 1.00 0.00 C ATOM 936 CG LYS A 59 8.321 -3.029 10.729 1.00 0.00 C ATOM 937 CD LYS A 59 8.462 -1.517 10.501 1.00 0.00 C ATOM 938 CE LYS A 59 8.633 -0.814 11.847 1.00 0.00 C ATOM 939 NZ LYS A 59 8.829 0.646 11.625 1.00 0.00 N ATOM 0 H LYS A 59 6.966 -2.470 7.430 1.00 0.00 H new ATOM 0 HA LYS A 59 9.535 -3.210 8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.699 -3.191 9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.416 -4.729 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.733 -3.215 11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.303 -3.472 10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.320 -1.313 9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.582 -1.132 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.756 -0.983 12.471 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.488 -1.229 12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.945 1.124 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.679 0.798 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.000 1.037 11.134 1.00 0.00 H new ATOM 953 N ILE A 60 8.186 -5.283 6.541 1.00 0.00 N ATOM 954 CA ILE A 60 8.314 -6.643 5.940 1.00 0.00 C ATOM 955 C ILE A 60 8.670 -6.556 4.451 1.00 0.00 C ATOM 956 O ILE A 60 8.314 -7.421 3.682 1.00 0.00 O ATOM 957 CB ILE A 60 6.984 -7.382 6.095 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.844 -6.482 5.609 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.762 -7.733 7.569 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.545 -7.288 5.546 1.00 0.00 C ATOM 0 H ILE A 60 7.643 -4.616 5.992 1.00 0.00 H new ATOM 0 HA ILE A 60 9.112 -7.178 6.455 1.00 0.00 H new ATOM 0 HB ILE A 60 7.005 -8.297 5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.725 -5.633 6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.081 -6.077 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.814 -8.260 7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.574 -8.371 7.917 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.740 -6.818 8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.735 -6.646 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.667 -8.122 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.306 -7.671 6.538 1.00 0.00 H new ATOM 972 N ILE A 61 9.366 -5.538 4.025 1.00 0.00 N ATOM 973 CA ILE A 61 9.716 -5.453 2.573 1.00 0.00 C ATOM 974 C ILE A 61 10.874 -6.414 2.265 1.00 0.00 C ATOM 975 O ILE A 61 10.975 -6.949 1.180 1.00 0.00 O ATOM 976 CB ILE A 61 10.118 -4.015 2.220 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.615 -3.938 0.764 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.232 -3.559 3.159 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.574 -4.537 -0.190 1.00 0.00 C ATOM 0 H ILE A 61 9.704 -4.771 4.606 1.00 0.00 H new ATOM 0 HA ILE A 61 8.850 -5.735 1.975 1.00 0.00 H new ATOM 0 HB ILE A 61 9.248 -3.367 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.810 -2.900 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.558 -4.475 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.521 -2.537 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.878 -3.597 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.094 -4.217 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.941 -4.475 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.400 -5.581 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.640 -3.982 -0.105 1.00 0.00 H new ATOM 991 N ASP A 62 11.750 -6.641 3.209 1.00 0.00 N ATOM 992 CA ASP A 62 12.900 -7.570 2.962 1.00 0.00 C ATOM 993 C ASP A 62 12.547 -8.974 3.467 1.00 0.00 C ATOM 994 O ASP A 62 13.297 -9.915 3.296 1.00 0.00 O ATOM 995 CB ASP A 62 14.132 -7.056 3.709 1.00 0.00 C ATOM 996 CG ASP A 62 13.754 -6.737 5.157 1.00 0.00 C ATOM 997 OD1 ASP A 62 13.073 -5.746 5.367 1.00 0.00 O ATOM 998 OD2 ASP A 62 14.152 -7.489 6.032 1.00 0.00 O ATOM 0 H ASP A 62 11.722 -6.225 4.140 1.00 0.00 H new ATOM 0 HA ASP A 62 13.109 -7.614 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.924 -7.805 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.522 -6.164 3.219 1.00 0.00 H new ATOM 1003 N THR A 63 11.411 -9.117 4.093 1.00 0.00 N ATOM 1004 CA THR A 63 10.991 -10.451 4.625 1.00 0.00 C ATOM 1005 C THR A 63 10.258 -11.222 3.525 1.00 0.00 C ATOM 1006 O THR A 63 10.016 -12.408 3.637 1.00 0.00 O ATOM 1007 CB THR A 63 10.077 -10.206 5.851 1.00 0.00 C ATOM 1008 OG1 THR A 63 10.779 -10.557 7.033 1.00 0.00 O ATOM 1009 CG2 THR A 63 8.766 -11.006 5.794 1.00 0.00 C ATOM 0 H THR A 63 10.747 -8.361 4.262 1.00 0.00 H new ATOM 0 HA THR A 63 11.851 -11.046 4.933 1.00 0.00 H new ATOM 0 HB THR A 63 9.812 -9.149 5.846 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.205 -10.402 7.812 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.170 -10.791 6.681 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.206 -10.723 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.991 -12.072 5.758 1.00 0.00 H new ATOM 1017 N LEU A 64 9.888 -10.555 2.475 1.00 0.00 N ATOM 1018 CA LEU A 64 9.153 -11.249 1.387 1.00 0.00 C ATOM 1019 C LEU A 64 10.137 -12.110 0.586 1.00 0.00 C ATOM 1020 O LEU A 64 9.882 -13.265 0.308 1.00 0.00 O ATOM 1021 CB LEU A 64 8.479 -10.220 0.454 1.00 0.00 C ATOM 1022 CG LEU A 64 8.107 -8.932 1.206 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.545 -7.924 0.208 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.049 -9.223 2.279 1.00 0.00 C ATOM 0 H LEU A 64 10.061 -9.562 2.321 1.00 0.00 H new ATOM 0 HA LEU A 64 8.379 -11.881 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.151 -9.980 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.582 -10.658 0.016 1.00 0.00 H new ATOM 0 HG LEU A 64 8.997 -8.532 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.277 -7.005 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.297 -7.705 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.659 -8.341 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.797 -8.300 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.154 -9.628 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.443 -9.948 2.992 1.00 0.00 H new TER 1036 LEU A 64