USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 95 SER OG : rot -134:sc= 1.95 USER MOD Set 1.2: A 98 GLN : amide:sc= 0.999 K(o=2.9,f=-0.92) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -174:sc= 0.989 (180deg=0.955) USER MOD Set 3.1: A 32 CYS SG : rot 167:sc= 0.714 USER MOD Set 3.2: A 35 CYS SG : rot 68:sc= -0.645 USER MOD Set 4.1: A 8 THR OG1 : rot -49:sc= 1.15 USER MOD Set 4.2: A 11 SER OG : rot 180:sc= 0.987 USER MOD Single : A 6 HIS : no HD1:sc= -0.0839 X(o=-0.084,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= 0.705 (180deg=0.401) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0174) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 1.16 K(o=1.2,f=-0.0019) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.064) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.84 (180deg=0.794) USER MOD Single : A 59 ASN : amide:sc= -0.443 K(o=-0.44,f=-14!) USER MOD Single : A 62 GLN : amide:sc= 0.691 K(o=0.69,f=-0.14) USER MOD Single : A 63 ASN : amide:sc= 1.47 K(o=1.5,f=-6.4!) USER MOD Single : A 66 THR OG1 : rot -60:sc= 1.3 USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= 0.668 (180deg=0.61) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 1.14 (180deg=1) USER MOD Single : A 83 ASN : amide:sc= 0.824 K(o=0.82,f=0) USER MOD Single : A 89 THR OG1 : rot 30:sc= 2.25 USER MOD Single : A 90 LYS NZ :NH3+ -128:sc= 0.144 (180deg=-0.499) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 1.6 (180deg=1.57) USER MOD Single : A 106 ASN : amide:sc= 0.709 K(o=0.71,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.307 -2.964 -9.573 1.00 0.00 N ATOM 47 CA ILE A 4 -7.871 -3.011 -9.380 1.00 0.00 C ATOM 48 C ILE A 4 -7.294 -4.236 -10.082 1.00 0.00 C ATOM 49 O ILE A 4 -7.921 -5.292 -10.109 1.00 0.00 O ATOM 50 CB ILE A 4 -7.578 -3.013 -7.867 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.097 -1.698 -7.250 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.086 -3.204 -7.583 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.627 -1.442 -5.815 1.00 0.00 C ATOM 0 HA ILE A 4 -7.393 -2.136 -9.820 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.096 -3.856 -7.409 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.778 -0.866 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.187 -1.709 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.917 -3.200 -6.506 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.755 -4.156 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.521 -2.392 -8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.039 -0.497 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.969 -2.251 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.538 -1.395 -5.792 1.00 0.00 H new ATOM 65 N ILE A 5 -6.085 -4.101 -10.630 1.00 0.00 N ATOM 66 CA ILE A 5 -5.387 -5.205 -11.274 1.00 0.00 C ATOM 67 C ILE A 5 -4.594 -5.963 -10.202 1.00 0.00 C ATOM 68 O ILE A 5 -3.586 -5.459 -9.707 1.00 0.00 O ATOM 69 CB ILE A 5 -4.479 -4.681 -12.404 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.215 -3.757 -13.393 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.816 -5.850 -13.149 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.459 -4.374 -14.042 1.00 0.00 C ATOM 0 H ILE A 5 -5.566 -3.223 -10.638 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.098 -5.890 -11.737 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.709 -4.074 -11.927 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.509 -2.847 -12.869 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.520 -3.462 -14.179 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.179 -5.461 -13.943 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.213 -6.431 -12.451 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.586 -6.489 -13.582 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.911 -3.652 -14.722 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.174 -5.267 -14.598 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.178 -4.643 -13.268 1.00 0.00 H new ATOM 84 N HIS A 6 -5.036 -7.167 -9.833 1.00 0.00 N ATOM 85 CA HIS A 6 -4.335 -7.995 -8.855 1.00 0.00 C ATOM 86 C HIS A 6 -3.172 -8.676 -9.573 1.00 0.00 C ATOM 87 O HIS A 6 -3.337 -9.744 -10.158 1.00 0.00 O ATOM 88 CB HIS A 6 -5.281 -9.010 -8.203 1.00 0.00 C ATOM 89 CG HIS A 6 -6.279 -8.366 -7.272 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.319 -8.487 -5.897 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.294 -7.538 -7.651 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.354 -7.750 -5.452 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.964 -7.169 -6.502 1.00 0.00 N ATOM 0 H HIS A 6 -5.886 -7.592 -10.203 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.953 -7.379 -8.041 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.816 -9.553 -8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.694 -9.743 -7.649 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.529 -7.229 -8.659 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.648 -7.642 -4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.781 -6.560 -6.456 1.00 0.00 H new ATOM 102 N LEU A 7 -2.001 -8.043 -9.546 1.00 0.00 N ATOM 103 CA LEU A 7 -0.807 -8.528 -10.209 1.00 0.00 C ATOM 104 C LEU A 7 -0.171 -9.686 -9.448 1.00 0.00 C ATOM 105 O LEU A 7 -0.379 -9.864 -8.247 1.00 0.00 O ATOM 106 CB LEU A 7 0.228 -7.397 -10.288 1.00 0.00 C ATOM 107 CG LEU A 7 -0.196 -6.223 -11.174 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.721 -5.041 -10.860 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.092 -6.575 -12.659 1.00 0.00 C ATOM 0 H LEU A 7 -1.860 -7.162 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.100 -8.870 -11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.423 -7.027 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.166 -7.803 -10.666 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.238 -5.976 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.441 -4.189 -11.479 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.623 -4.774 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.755 -5.317 -11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.401 -5.719 -13.258 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.939 -6.834 -12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.740 -7.424 -12.878 1.00 0.00 H new ATOM 121 N THR A 8 0.691 -10.408 -10.162 1.00 0.00 N ATOM 122 CA THR A 8 1.552 -11.444 -9.639 1.00 0.00 C ATOM 123 C THR A 8 2.905 -11.218 -10.314 1.00 0.00 C ATOM 124 O THR A 8 2.968 -10.533 -11.338 1.00 0.00 O ATOM 125 CB THR A 8 0.996 -12.846 -9.922 1.00 0.00 C ATOM 126 OG1 THR A 8 1.090 -13.158 -11.298 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.451 -13.012 -9.449 1.00 0.00 C ATOM 0 H THR A 8 0.806 -10.273 -11.166 1.00 0.00 H new ATOM 0 HA THR A 8 1.632 -11.390 -8.553 1.00 0.00 H new ATOM 0 HB THR A 8 1.610 -13.542 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.724 -12.419 -11.827 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.794 -14.022 -9.674 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.504 -12.842 -8.374 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.087 -12.290 -9.962 1.00 0.00 H new ATOM 135 N ASP A 9 3.974 -11.787 -9.759 1.00 0.00 N ATOM 136 CA ASP A 9 5.320 -11.657 -10.297 1.00 0.00 C ATOM 137 C ASP A 9 5.334 -12.061 -11.774 1.00 0.00 C ATOM 138 O ASP A 9 5.897 -11.364 -12.613 1.00 0.00 O ATOM 139 CB ASP A 9 6.280 -12.514 -9.466 1.00 0.00 C ATOM 140 CG ASP A 9 7.727 -12.182 -9.810 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.218 -11.169 -9.262 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.314 -12.936 -10.614 1.00 0.00 O ATOM 0 H ASP A 9 3.925 -12.357 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 9 5.649 -10.619 -10.237 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.104 -12.342 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.089 -13.571 -9.654 1.00 0.00 H new ATOM 147 N ASP A 10 4.670 -13.180 -12.076 1.00 0.00 N ATOM 148 CA ASP A 10 4.531 -13.729 -13.418 1.00 0.00 C ATOM 149 C ASP A 10 3.919 -12.710 -14.382 1.00 0.00 C ATOM 150 O ASP A 10 4.331 -12.623 -15.535 1.00 0.00 O ATOM 151 CB ASP A 10 3.664 -14.992 -13.371 1.00 0.00 C ATOM 152 CG ASP A 10 4.231 -16.053 -12.435 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.121 -15.836 -11.207 1.00 0.00 O ATOM 154 OD2 ASP A 10 4.769 -17.053 -12.961 1.00 0.00 O ATOM 0 H ASP A 10 4.201 -13.743 -11.367 1.00 0.00 H new ATOM 0 HA ASP A 10 5.526 -13.979 -13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.658 -14.726 -13.047 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.577 -15.407 -14.375 1.00 0.00 H new ATOM 159 N SER A 11 2.927 -11.942 -13.923 1.00 0.00 N ATOM 160 CA SER A 11 2.241 -10.971 -14.763 1.00 0.00 C ATOM 161 C SER A 11 3.099 -9.712 -14.915 1.00 0.00 C ATOM 162 O SER A 11 3.212 -9.152 -16.005 1.00 0.00 O ATOM 163 CB SER A 11 0.896 -10.608 -14.118 1.00 0.00 C ATOM 164 OG SER A 11 0.338 -11.718 -13.441 1.00 0.00 O ATOM 0 H SER A 11 2.582 -11.979 -12.964 1.00 0.00 H new ATOM 0 HA SER A 11 2.070 -11.401 -15.750 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.036 -9.784 -13.418 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.204 -10.261 -14.885 1.00 0.00 H new ATOM 0 HG SER A 11 -0.517 -11.459 -13.038 1.00 0.00 H new ATOM 170 N PHE A 12 3.677 -9.273 -13.794 1.00 0.00 N ATOM 171 CA PHE A 12 4.496 -8.081 -13.622 1.00 0.00 C ATOM 172 C PHE A 12 5.310 -7.679 -14.854 1.00 0.00 C ATOM 173 O PHE A 12 5.227 -6.544 -15.324 1.00 0.00 O ATOM 174 CB PHE A 12 5.422 -8.296 -12.421 1.00 0.00 C ATOM 175 CG PHE A 12 5.869 -7.008 -11.781 1.00 0.00 C ATOM 176 CD1 PHE A 12 7.008 -6.332 -12.249 1.00 0.00 C ATOM 177 CD2 PHE A 12 5.098 -6.458 -10.744 1.00 0.00 C ATOM 178 CE1 PHE A 12 7.379 -5.111 -11.665 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.520 -5.284 -10.105 1.00 0.00 C ATOM 180 CZ PHE A 12 6.665 -4.615 -10.562 1.00 0.00 C ATOM 0 H PHE A 12 3.573 -9.785 -12.918 1.00 0.00 H new ATOM 0 HA PHE A 12 3.811 -7.250 -13.456 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.907 -8.905 -11.677 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.299 -8.859 -12.742 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.595 -6.750 -13.054 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.181 -6.939 -10.439 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.213 -4.553 -12.064 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.965 -4.896 -9.264 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.998 -3.716 -10.064 1.00 0.00 H new ATOM 190 N ASP A 13 6.126 -8.605 -15.361 1.00 0.00 N ATOM 191 CA ASP A 13 7.005 -8.359 -16.491 1.00 0.00 C ATOM 192 C ASP A 13 6.259 -7.846 -17.721 1.00 0.00 C ATOM 193 O ASP A 13 6.783 -7.007 -18.450 1.00 0.00 O ATOM 194 CB ASP A 13 7.805 -9.626 -16.804 1.00 0.00 C ATOM 195 CG ASP A 13 8.803 -9.949 -15.696 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.336 -10.366 -14.615 1.00 0.00 O ATOM 197 OD2 ASP A 13 10.012 -9.752 -15.944 1.00 0.00 O ATOM 0 H ASP A 13 6.191 -9.553 -14.991 1.00 0.00 H new ATOM 0 HA ASP A 13 7.694 -7.562 -16.211 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.122 -10.465 -16.935 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.336 -9.498 -17.747 1.00 0.00 H new ATOM 202 N THR A 14 5.046 -8.334 -17.958 1.00 0.00 N ATOM 203 CA THR A 14 4.242 -7.902 -19.087 1.00 0.00 C ATOM 204 C THR A 14 3.379 -6.712 -18.667 1.00 0.00 C ATOM 205 O THR A 14 3.372 -5.666 -19.309 1.00 0.00 O ATOM 206 CB THR A 14 3.392 -9.087 -19.572 1.00 0.00 C ATOM 207 OG1 THR A 14 4.241 -10.198 -19.783 1.00 0.00 O ATOM 208 CG2 THR A 14 2.668 -8.764 -20.884 1.00 0.00 C ATOM 0 H THR A 14 4.597 -9.038 -17.372 1.00 0.00 H new ATOM 0 HA THR A 14 4.874 -7.577 -19.913 1.00 0.00 H new ATOM 0 HB THR A 14 2.641 -9.303 -18.812 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.710 -10.962 -20.091 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.077 -9.626 -21.195 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.010 -7.908 -20.735 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.401 -8.529 -21.656 1.00 0.00 H new ATOM 216 N ASP A 15 2.627 -6.887 -17.583 1.00 0.00 N ATOM 217 CA ASP A 15 1.663 -5.906 -17.110 1.00 0.00 C ATOM 218 C ASP A 15 2.301 -4.571 -16.740 1.00 0.00 C ATOM 219 O ASP A 15 1.813 -3.521 -17.148 1.00 0.00 O ATOM 220 CB ASP A 15 0.907 -6.462 -15.896 1.00 0.00 C ATOM 221 CG ASP A 15 -0.057 -7.592 -16.248 1.00 0.00 C ATOM 222 OD1 ASP A 15 0.411 -8.586 -16.841 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.245 -7.454 -15.884 1.00 0.00 O ATOM 0 H ASP A 15 2.673 -7.725 -17.004 1.00 0.00 H new ATOM 0 HA ASP A 15 0.977 -5.718 -17.936 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.628 -6.824 -15.163 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.350 -5.653 -15.423 1.00 0.00 H new ATOM 228 N VAL A 16 3.352 -4.611 -15.923 1.00 0.00 N ATOM 229 CA VAL A 16 3.998 -3.424 -15.390 1.00 0.00 C ATOM 230 C VAL A 16 5.179 -3.007 -16.257 1.00 0.00 C ATOM 231 O VAL A 16 5.211 -1.891 -16.775 1.00 0.00 O ATOM 232 CB VAL A 16 4.419 -3.675 -13.930 1.00 0.00 C ATOM 233 CG1 VAL A 16 5.032 -2.415 -13.315 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.216 -4.090 -13.075 1.00 0.00 C ATOM 0 H VAL A 16 3.781 -5.483 -15.612 1.00 0.00 H new ATOM 0 HA VAL A 16 3.290 -2.596 -15.404 1.00 0.00 H new ATOM 0 HB VAL A 16 5.156 -4.478 -13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.321 -2.617 -12.284 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.912 -2.121 -13.888 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.300 -1.607 -13.335 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.541 -4.261 -12.049 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.467 -3.298 -13.091 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.783 -5.006 -13.476 1.00 0.00 H new ATOM 244 N LEU A 17 6.174 -3.883 -16.402 1.00 0.00 N ATOM 245 CA LEU A 17 7.393 -3.511 -17.116 1.00 0.00 C ATOM 246 C LEU A 17 7.157 -3.165 -18.588 1.00 0.00 C ATOM 247 O LEU A 17 7.930 -2.392 -19.147 1.00 0.00 O ATOM 248 CB LEU A 17 8.525 -4.515 -16.876 1.00 0.00 C ATOM 249 CG LEU A 17 8.829 -4.694 -15.377 1.00 0.00 C ATOM 250 CD1 LEU A 17 10.017 -5.644 -15.196 1.00 0.00 C ATOM 251 CD2 LEU A 17 9.156 -3.360 -14.690 1.00 0.00 C ATOM 0 H LEU A 17 6.161 -4.837 -16.042 1.00 0.00 H new ATOM 0 HA LEU A 17 7.736 -2.572 -16.682 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.253 -5.478 -17.308 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.425 -4.177 -17.391 1.00 0.00 H new ATOM 0 HG LEU A 17 7.933 -5.107 -14.915 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.227 -5.766 -14.133 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.777 -6.614 -15.632 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.894 -5.229 -15.693 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.363 -3.536 -13.634 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.031 -2.912 -15.162 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.306 -2.684 -14.785 1.00 0.00 H new ATOM 263 N LYS A 18 6.083 -3.672 -19.201 1.00 0.00 N ATOM 264 CA LYS A 18 5.704 -3.311 -20.565 1.00 0.00 C ATOM 265 C LYS A 18 4.359 -2.569 -20.533 1.00 0.00 C ATOM 266 O LYS A 18 3.561 -2.683 -21.460 1.00 0.00 O ATOM 267 CB LYS A 18 5.689 -4.551 -21.466 1.00 0.00 C ATOM 268 CG LYS A 18 7.051 -5.251 -21.466 1.00 0.00 C ATOM 269 CD LYS A 18 7.008 -6.505 -22.349 1.00 0.00 C ATOM 270 CE LYS A 18 8.206 -7.418 -22.067 1.00 0.00 C ATOM 271 NZ LYS A 18 8.055 -8.127 -20.782 1.00 0.00 N ATOM 0 H LYS A 18 5.453 -4.344 -18.763 1.00 0.00 H new ATOM 0 HA LYS A 18 6.442 -2.635 -20.997 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.921 -5.244 -21.123 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.426 -4.262 -22.483 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.818 -4.568 -21.831 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.326 -5.525 -20.448 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.081 -7.049 -22.168 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.007 -6.214 -23.400 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.310 -8.143 -22.874 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.121 -6.825 -22.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.987 -8.233 -20.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.429 -7.582 -20.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.643 -9.067 -20.950 1.00 0.00 H new ATOM 285 N ALA A 19 4.101 -1.812 -19.458 1.00 0.00 N ATOM 286 CA ALA A 19 2.859 -1.070 -19.290 1.00 0.00 C ATOM 287 C ALA A 19 2.603 -0.084 -20.430 1.00 0.00 C ATOM 288 O ALA A 19 3.521 0.571 -20.926 1.00 0.00 O ATOM 289 CB ALA A 19 2.885 -0.306 -17.967 1.00 0.00 C ATOM 0 H ALA A 19 4.754 -1.701 -18.682 1.00 0.00 H new ATOM 0 HA ALA A 19 2.051 -1.801 -19.296 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.953 0.247 -17.848 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.997 -1.010 -17.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.723 0.391 -17.966 1.00 0.00 H new ATOM 295 N ASP A 20 1.330 0.065 -20.804 1.00 0.00 N ATOM 296 CA ASP A 20 0.871 0.980 -21.834 1.00 0.00 C ATOM 297 C ASP A 20 0.310 2.260 -21.200 1.00 0.00 C ATOM 298 O ASP A 20 -0.657 2.825 -21.705 1.00 0.00 O ATOM 299 CB ASP A 20 -0.197 0.268 -22.670 1.00 0.00 C ATOM 300 CG ASP A 20 0.356 -0.944 -23.409 1.00 0.00 C ATOM 301 OD1 ASP A 20 1.057 -0.721 -24.420 1.00 0.00 O ATOM 302 OD2 ASP A 20 0.062 -2.070 -22.953 1.00 0.00 O ATOM 0 H ASP A 20 0.571 -0.469 -20.380 1.00 0.00 H new ATOM 0 HA ASP A 20 1.702 1.270 -22.476 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.013 -0.048 -22.020 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.617 0.969 -23.391 1.00 0.00 H new ATOM 307 N GLY A 21 0.904 2.731 -20.100 1.00 0.00 N ATOM 308 CA GLY A 21 0.467 3.940 -19.418 1.00 0.00 C ATOM 309 C GLY A 21 0.963 3.964 -17.974 1.00 0.00 C ATOM 310 O GLY A 21 1.949 3.301 -17.643 1.00 0.00 O ATOM 0 H GLY A 21 1.705 2.278 -19.660 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.840 4.816 -19.949 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.621 3.997 -19.433 1.00 0.00 H new ATOM 314 N ALA A 22 0.269 4.735 -17.130 1.00 0.00 N ATOM 315 CA ALA A 22 0.543 4.901 -15.712 1.00 0.00 C ATOM 316 C ALA A 22 -0.172 3.818 -14.901 1.00 0.00 C ATOM 317 O ALA A 22 -1.405 3.743 -14.914 1.00 0.00 O ATOM 318 CB ALA A 22 0.084 6.298 -15.279 1.00 0.00 C ATOM 0 H ALA A 22 -0.535 5.282 -17.438 1.00 0.00 H new ATOM 0 HA ALA A 22 1.613 4.801 -15.529 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.285 6.434 -14.216 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.626 7.052 -15.850 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.985 6.403 -15.463 1.00 0.00 H new ATOM 324 N ILE A 23 0.602 2.992 -14.194 1.00 0.00 N ATOM 325 CA ILE A 23 0.112 1.921 -13.346 1.00 0.00 C ATOM 326 C ILE A 23 0.573 2.172 -11.910 1.00 0.00 C ATOM 327 O ILE A 23 1.774 2.214 -11.646 1.00 0.00 O ATOM 328 CB ILE A 23 0.585 0.552 -13.867 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.318 0.422 -15.379 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.076 -0.565 -13.049 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.289 -1.027 -15.872 1.00 0.00 C ATOM 0 H ILE A 23 1.620 3.059 -14.201 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.978 1.906 -13.365 1.00 0.00 H new ATOM 0 HB ILE A 23 1.663 0.461 -13.737 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.635 0.896 -15.614 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.088 0.967 -15.924 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.259 -1.534 -13.419 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.202 -0.461 -12.000 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.159 -0.495 -13.146 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.096 -1.043 -16.945 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.250 -1.500 -15.669 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.500 -1.572 -15.354 1.00 0.00 H new ATOM 343 N LEU A 24 -0.372 2.296 -10.976 1.00 0.00 N ATOM 344 CA LEU A 24 -0.063 2.439 -9.561 1.00 0.00 C ATOM 345 C LEU A 24 -0.057 1.030 -8.995 1.00 0.00 C ATOM 346 O LEU A 24 -1.117 0.435 -8.841 1.00 0.00 O ATOM 347 CB LEU A 24 -1.098 3.326 -8.864 1.00 0.00 C ATOM 348 CG LEU A 24 -0.819 3.603 -7.374 1.00 0.00 C ATOM 349 CD1 LEU A 24 -0.976 2.405 -6.432 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.530 4.295 -7.153 1.00 0.00 C ATOM 0 H LEU A 24 -1.371 2.300 -11.184 1.00 0.00 H new ATOM 0 HA LEU A 24 0.900 2.925 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.152 4.278 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.077 2.856 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.620 4.288 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.756 2.714 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.999 2.032 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.285 1.616 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.680 4.468 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.331 3.661 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.540 5.249 -7.681 1.00 0.00 H new ATOM 362 N VAL A 25 1.123 0.499 -8.699 1.00 0.00 N ATOM 363 CA VAL A 25 1.285 -0.847 -8.177 1.00 0.00 C ATOM 364 C VAL A 25 1.433 -0.788 -6.663 1.00 0.00 C ATOM 365 O VAL A 25 2.470 -0.353 -6.165 1.00 0.00 O ATOM 366 CB VAL A 25 2.495 -1.532 -8.828 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.608 -2.965 -8.298 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.372 -1.564 -10.355 1.00 0.00 C ATOM 0 H VAL A 25 2.004 1.000 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 25 0.402 -1.439 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 25 3.387 -0.959 -8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.466 -3.456 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.738 -2.944 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.700 -3.516 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.247 -2.056 -10.780 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.474 -2.114 -10.636 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.308 -0.545 -10.736 1.00 0.00 H new ATOM 378 N ASP A 26 0.409 -1.235 -5.932 1.00 0.00 N ATOM 379 CA ASP A 26 0.434 -1.276 -4.481 1.00 0.00 C ATOM 380 C ASP A 26 0.898 -2.654 -4.014 1.00 0.00 C ATOM 381 O ASP A 26 0.143 -3.615 -4.117 1.00 0.00 O ATOM 382 CB ASP A 26 -0.937 -0.937 -3.898 1.00 0.00 C ATOM 383 CG ASP A 26 -1.023 -1.260 -2.409 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.059 -1.734 -1.954 1.00 0.00 O ATOM 385 OD2 ASP A 26 0.061 -1.020 -1.611 1.00 0.00 O ATOM 0 H ASP A 26 -0.461 -1.579 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 26 1.137 -0.525 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.144 0.122 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.706 -1.493 -4.434 1.00 0.00 H new ATOM 391 N PHE A 27 2.099 -2.742 -3.448 1.00 0.00 N ATOM 392 CA PHE A 27 2.613 -3.974 -2.876 1.00 0.00 C ATOM 393 C PHE A 27 1.997 -4.078 -1.476 1.00 0.00 C ATOM 394 O PHE A 27 2.204 -3.171 -0.665 1.00 0.00 O ATOM 395 CB PHE A 27 4.147 -3.962 -2.835 1.00 0.00 C ATOM 396 CG PHE A 27 4.854 -4.023 -4.182 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.729 -2.972 -5.112 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.735 -5.088 -4.465 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.445 -3.004 -6.321 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.480 -5.097 -5.656 1.00 0.00 C ATOM 401 CZ PHE A 27 6.328 -4.061 -6.590 1.00 0.00 C ATOM 0 H PHE A 27 2.743 -1.954 -3.375 1.00 0.00 H new ATOM 0 HA PHE A 27 2.344 -4.842 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.469 -3.057 -2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.481 -4.808 -2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.079 -2.137 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.837 -5.901 -3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.315 -2.213 -7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.171 -5.903 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.889 -4.077 -7.513 1.00 0.00 H new ATOM 411 N TRP A 28 1.225 -5.141 -1.214 1.00 0.00 N ATOM 412 CA TRP A 28 0.494 -5.350 0.034 1.00 0.00 C ATOM 413 C TRP A 28 0.621 -6.788 0.540 1.00 0.00 C ATOM 414 O TRP A 28 1.136 -7.652 -0.167 1.00 0.00 O ATOM 415 CB TRP A 28 -0.989 -5.025 -0.201 1.00 0.00 C ATOM 416 CG TRP A 28 -1.757 -5.986 -1.057 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.689 -6.061 -2.401 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.721 -7.006 -0.654 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.495 -7.084 -2.856 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.165 -7.696 -1.821 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.285 -7.402 0.576 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.103 -8.739 -1.768 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.235 -8.438 0.640 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.634 -9.116 -0.526 1.00 0.00 C ATOM 0 H TRP A 28 1.091 -5.897 -1.885 1.00 0.00 H new ATOM 0 HA TRP A 28 0.922 -4.694 0.792 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.482 -4.963 0.769 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.054 -4.036 -0.656 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.092 -5.416 -3.029 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.583 -7.353 -3.836 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.983 -6.902 1.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.412 -9.244 -2.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.662 -8.715 1.593 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.347 -9.925 -0.465 1.00 0.00 H new ATOM 435 N ALA A 29 0.105 -7.054 1.746 1.00 0.00 N ATOM 436 CA ALA A 29 0.053 -8.379 2.348 1.00 0.00 C ATOM 437 C ALA A 29 -1.226 -8.494 3.167 1.00 0.00 C ATOM 438 O ALA A 29 -1.717 -7.497 3.692 1.00 0.00 O ATOM 439 CB ALA A 29 1.258 -8.624 3.254 1.00 0.00 C ATOM 0 H ALA A 29 -0.297 -6.330 2.341 1.00 0.00 H new ATOM 0 HA ALA A 29 0.070 -9.125 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.190 -9.621 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.175 -8.544 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.271 -7.881 4.052 1.00 0.00 H new ATOM 445 N GLU A 30 -1.746 -9.716 3.282 1.00 0.00 N ATOM 446 CA GLU A 30 -2.977 -10.029 3.994 1.00 0.00 C ATOM 447 C GLU A 30 -2.922 -9.573 5.453 1.00 0.00 C ATOM 448 O GLU A 30 -3.826 -8.901 5.942 1.00 0.00 O ATOM 449 CB GLU A 30 -3.212 -11.544 3.889 1.00 0.00 C ATOM 450 CG GLU A 30 -3.465 -11.979 2.435 1.00 0.00 C ATOM 451 CD GLU A 30 -2.891 -13.364 2.135 1.00 0.00 C ATOM 452 OE1 GLU A 30 -3.177 -14.285 2.929 1.00 0.00 O ATOM 453 OE2 GLU A 30 -2.171 -13.473 1.115 1.00 0.00 O ATOM 0 H GLU A 30 -1.306 -10.538 2.868 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.809 -9.489 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.345 -12.075 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.065 -11.824 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.538 -11.983 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.021 -11.250 1.757 1.00 0.00 H new ATOM 460 N TRP A 31 -1.857 -9.963 6.149 1.00 0.00 N ATOM 461 CA TRP A 31 -1.651 -9.663 7.559 1.00 0.00 C ATOM 462 C TRP A 31 -1.392 -8.174 7.819 1.00 0.00 C ATOM 463 O TRP A 31 -1.628 -7.693 8.927 1.00 0.00 O ATOM 464 CB TRP A 31 -0.491 -10.520 8.083 1.00 0.00 C ATOM 465 CG TRP A 31 0.780 -10.432 7.292 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.138 -11.274 6.299 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.849 -9.440 7.378 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.330 -10.861 5.748 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.821 -9.738 6.378 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.091 -8.309 8.189 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.970 -8.956 6.186 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.242 -7.517 8.009 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.180 -7.839 7.012 1.00 0.00 C ATOM 0 H TRP A 31 -1.099 -10.508 5.738 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.569 -9.905 8.095 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.280 -10.227 9.112 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.813 -11.561 8.108 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.575 -12.140 5.985 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.793 -11.329 4.969 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.382 -8.047 8.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.682 -9.209 5.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.405 -6.657 8.641 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.061 -7.228 6.881 1.00 0.00 H new ATOM 484 N CYS A 32 -0.898 -7.430 6.826 1.00 0.00 N ATOM 485 CA CYS A 32 -0.576 -6.025 7.029 1.00 0.00 C ATOM 486 C CYS A 32 -1.837 -5.166 6.973 1.00 0.00 C ATOM 487 O CYS A 32 -2.125 -4.523 5.964 1.00 0.00 O ATOM 488 CB CYS A 32 0.500 -5.559 6.048 1.00 0.00 C ATOM 489 SG CYS A 32 0.850 -3.823 6.431 1.00 0.00 S ATOM 0 H CYS A 32 -0.716 -7.777 5.884 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.157 -5.906 8.028 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.401 -6.165 6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.156 -5.665 5.019 1.00 0.00 H new ATOM 0 HG CYS A 32 1.940 -3.456 5.825 1.00 0.00 H new ATOM 495 N GLY A 33 -2.579 -5.164 8.086 1.00 0.00 N ATOM 496 CA GLY A 33 -3.817 -4.422 8.317 1.00 0.00 C ATOM 497 C GLY A 33 -3.962 -3.135 7.491 1.00 0.00 C ATOM 498 O GLY A 33 -4.895 -3.048 6.696 1.00 0.00 O ATOM 0 H GLY A 33 -2.311 -5.717 8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.662 -5.075 8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.879 -4.167 9.375 1.00 0.00 H new ATOM 502 N PRO A 34 -3.067 -2.141 7.649 1.00 0.00 N ATOM 503 CA PRO A 34 -3.092 -0.878 6.910 1.00 0.00 C ATOM 504 C PRO A 34 -3.341 -1.008 5.399 1.00 0.00 C ATOM 505 O PRO A 34 -3.941 -0.121 4.792 1.00 0.00 O ATOM 506 CB PRO A 34 -1.750 -0.209 7.211 1.00 0.00 C ATOM 507 CG PRO A 34 -1.438 -0.708 8.620 1.00 0.00 C ATOM 508 CD PRO A 34 -1.953 -2.145 8.586 1.00 0.00 C ATOM 0 HA PRO A 34 -3.945 -0.284 7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.981 -0.504 6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.821 0.878 7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.371 -0.665 8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.943 -0.114 9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.172 -2.833 8.263 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.275 -2.469 9.576 1.00 0.00 H new ATOM 516 N CYS A 35 -2.934 -2.116 4.779 1.00 0.00 N ATOM 517 CA CYS A 35 -3.204 -2.355 3.363 1.00 0.00 C ATOM 518 C CYS A 35 -4.712 -2.278 3.107 1.00 0.00 C ATOM 519 O CYS A 35 -5.169 -1.689 2.127 1.00 0.00 O ATOM 520 CB CYS A 35 -2.673 -3.723 2.923 1.00 0.00 C ATOM 521 SG CYS A 35 -0.869 -3.779 3.075 1.00 0.00 S ATOM 0 H CYS A 35 -2.414 -2.864 5.238 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.692 -1.588 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.120 -4.507 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.964 -3.918 1.891 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.538 -3.740 4.332 1.00 0.00 H new ATOM 527 N LYS A 36 -5.493 -2.845 4.027 1.00 0.00 N ATOM 528 CA LYS A 36 -6.944 -2.842 3.973 1.00 0.00 C ATOM 529 C LYS A 36 -7.507 -1.444 4.253 1.00 0.00 C ATOM 530 O LYS A 36 -8.635 -1.164 3.860 1.00 0.00 O ATOM 531 CB LYS A 36 -7.519 -3.888 4.937 1.00 0.00 C ATOM 532 CG LYS A 36 -6.867 -5.267 4.845 1.00 0.00 C ATOM 533 CD LYS A 36 -6.846 -5.855 3.433 1.00 0.00 C ATOM 534 CE LYS A 36 -8.233 -6.014 2.796 1.00 0.00 C ATOM 535 NZ LYS A 36 -9.127 -6.850 3.619 1.00 0.00 N ATOM 0 H LYS A 36 -5.121 -3.328 4.845 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.250 -3.114 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.414 -3.519 5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.587 -3.992 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.844 -5.198 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.398 -5.953 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.237 -5.215 2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.359 -6.830 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.683 -5.031 2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.129 -6.460 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.036 -6.974 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.688 -7.780 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.289 -6.387 4.536 1.00 0.00 H new ATOM 549 N MET A 37 -6.736 -0.555 4.892 1.00 0.00 N ATOM 550 CA MET A 37 -7.152 0.822 5.123 1.00 0.00 C ATOM 551 C MET A 37 -7.037 1.579 3.800 1.00 0.00 C ATOM 552 O MET A 37 -7.968 2.285 3.419 1.00 0.00 O ATOM 553 CB MET A 37 -6.356 1.459 6.274 1.00 0.00 C ATOM 554 CG MET A 37 -6.634 2.958 6.449 1.00 0.00 C ATOM 555 SD MET A 37 -5.661 4.053 5.375 1.00 0.00 S ATOM 556 CE MET A 37 -6.297 5.662 5.889 1.00 0.00 C ATOM 0 H MET A 37 -5.810 -0.775 5.260 1.00 0.00 H new ATOM 0 HA MET A 37 -8.191 0.864 5.449 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.596 0.941 7.203 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.291 1.313 6.094 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.693 3.139 6.263 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.442 3.229 7.487 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.799 6.448 5.321 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.370 5.705 5.704 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.106 5.806 6.952 1.00 0.00 H new ATOM 566 N ILE A 38 -5.916 1.427 3.084 1.00 0.00 N ATOM 567 CA ILE A 38 -5.779 2.102 1.794 1.00 0.00 C ATOM 568 C ILE A 38 -6.660 1.456 0.717 1.00 0.00 C ATOM 569 O ILE A 38 -7.109 2.156 -0.182 1.00 0.00 O ATOM 570 CB ILE A 38 -4.321 2.275 1.338 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.617 0.933 1.118 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.535 3.161 2.314 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.321 1.101 0.324 1.00 0.00 C ATOM 0 H ILE A 38 -5.116 0.861 3.366 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.148 3.116 1.947 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.350 2.779 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.397 0.475 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.284 0.254 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.508 3.265 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.001 4.145 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.537 2.704 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.849 0.128 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.545 1.536 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.644 1.759 0.868 1.00 0.00 H new ATOM 585 N ALA A 39 -6.909 0.139 0.780 1.00 0.00 N ATOM 586 CA ALA A 39 -7.736 -0.585 -0.191 1.00 0.00 C ATOM 587 C ALA A 39 -8.970 0.195 -0.698 1.00 0.00 C ATOM 588 O ALA A 39 -9.052 0.444 -1.900 1.00 0.00 O ATOM 589 CB ALA A 39 -8.095 -1.978 0.339 1.00 0.00 C ATOM 0 H ALA A 39 -6.536 -0.459 1.517 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.121 -0.703 -1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.709 -2.500 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.182 -2.546 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.650 -1.880 1.272 1.00 0.00 H new ATOM 595 N PRO A 40 -9.927 0.610 0.154 1.00 0.00 N ATOM 596 CA PRO A 40 -11.082 1.382 -0.288 1.00 0.00 C ATOM 597 C PRO A 40 -10.659 2.670 -0.997 1.00 0.00 C ATOM 598 O PRO A 40 -11.236 3.024 -2.022 1.00 0.00 O ATOM 599 CB PRO A 40 -11.922 1.663 0.961 1.00 0.00 C ATOM 600 CG PRO A 40 -10.928 1.498 2.108 1.00 0.00 C ATOM 601 CD PRO A 40 -9.992 0.410 1.590 1.00 0.00 C ATOM 0 HA PRO A 40 -11.665 0.826 -1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.347 2.666 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.755 0.965 1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.394 2.425 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.423 1.200 3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.004 0.493 2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.372 -0.583 1.832 1.00 0.00 H new ATOM 609 N ILE A 41 -9.629 3.355 -0.493 1.00 0.00 N ATOM 610 CA ILE A 41 -9.123 4.567 -1.121 1.00 0.00 C ATOM 611 C ILE A 41 -8.694 4.220 -2.551 1.00 0.00 C ATOM 612 O ILE A 41 -9.123 4.860 -3.507 1.00 0.00 O ATOM 613 CB ILE A 41 -7.966 5.204 -0.325 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.240 5.234 1.190 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.752 6.631 -0.843 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.084 5.874 1.962 1.00 0.00 C ATOM 0 H ILE A 41 -9.130 3.084 0.354 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.915 5.316 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.073 4.596 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.158 5.789 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.400 4.218 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.937 7.100 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.502 6.599 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.665 7.210 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.315 5.877 3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.171 5.303 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.941 6.899 1.619 1.00 0.00 H new ATOM 628 N LEU A 42 -7.869 3.180 -2.698 1.00 0.00 N ATOM 629 CA LEU A 42 -7.414 2.705 -3.996 1.00 0.00 C ATOM 630 C LEU A 42 -8.612 2.360 -4.887 1.00 0.00 C ATOM 631 O LEU A 42 -8.603 2.694 -6.068 1.00 0.00 O ATOM 632 CB LEU A 42 -6.440 1.528 -3.831 1.00 0.00 C ATOM 633 CG LEU A 42 -5.069 1.933 -3.262 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.317 0.660 -2.865 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.216 2.691 -4.289 1.00 0.00 C ATOM 0 H LEU A 42 -7.499 2.645 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.862 3.501 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.891 0.785 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.294 1.050 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.239 2.590 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.341 0.926 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.889 0.120 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.185 0.027 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.258 2.956 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.047 2.058 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.736 3.598 -4.596 1.00 0.00 H new ATOM 647 N ASP A 43 -9.655 1.728 -4.339 1.00 0.00 N ATOM 648 CA ASP A 43 -10.863 1.411 -5.100 1.00 0.00 C ATOM 649 C ASP A 43 -11.506 2.702 -5.627 1.00 0.00 C ATOM 650 O ASP A 43 -11.827 2.814 -6.810 1.00 0.00 O ATOM 651 CB ASP A 43 -11.869 0.620 -4.249 1.00 0.00 C ATOM 652 CG ASP A 43 -11.338 -0.703 -3.703 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.373 -1.234 -4.291 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.924 -1.176 -2.704 1.00 0.00 O ATOM 0 H ASP A 43 -9.684 1.425 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.577 0.784 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.185 1.242 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.756 0.420 -4.851 1.00 0.00 H new ATOM 659 N GLU A 44 -11.681 3.694 -4.747 1.00 0.00 N ATOM 660 CA GLU A 44 -12.256 4.985 -5.118 1.00 0.00 C ATOM 661 C GLU A 44 -11.421 5.603 -6.242 1.00 0.00 C ATOM 662 O GLU A 44 -11.958 5.986 -7.280 1.00 0.00 O ATOM 663 CB GLU A 44 -12.332 5.912 -3.899 1.00 0.00 C ATOM 664 CG GLU A 44 -13.318 5.404 -2.839 1.00 0.00 C ATOM 665 CD GLU A 44 -13.079 6.079 -1.491 1.00 0.00 C ATOM 666 OE1 GLU A 44 -13.196 7.324 -1.454 1.00 0.00 O ATOM 667 OE2 GLU A 44 -12.775 5.348 -0.525 1.00 0.00 O ATOM 0 H GLU A 44 -11.428 3.622 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.275 4.842 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.341 6.005 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.632 6.909 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.339 5.595 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.215 4.324 -2.731 1.00 0.00 H new ATOM 674 N ILE A 45 -10.102 5.670 -6.046 1.00 0.00 N ATOM 675 CA ILE A 45 -9.174 6.183 -7.046 1.00 0.00 C ATOM 676 C ILE A 45 -9.357 5.420 -8.361 1.00 0.00 C ATOM 677 O ILE A 45 -9.431 6.042 -9.416 1.00 0.00 O ATOM 678 CB ILE A 45 -7.730 6.093 -6.522 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.466 7.045 -5.338 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.682 6.313 -7.623 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.547 8.542 -5.650 1.00 0.00 C ATOM 0 H ILE A 45 -9.650 5.367 -5.183 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.385 7.235 -7.240 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.624 5.070 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.183 6.819 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.475 6.830 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.683 6.238 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.803 5.555 -8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.816 7.302 -8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.344 9.114 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.810 8.795 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.545 8.784 -6.016 1.00 0.00 H new ATOM 693 N ALA A 46 -9.435 4.089 -8.315 1.00 0.00 N ATOM 694 CA ALA A 46 -9.610 3.267 -9.504 1.00 0.00 C ATOM 695 C ALA A 46 -10.842 3.709 -10.291 1.00 0.00 C ATOM 696 O ALA A 46 -10.805 3.778 -11.518 1.00 0.00 O ATOM 697 CB ALA A 46 -9.685 1.788 -9.128 1.00 0.00 C ATOM 0 H ALA A 46 -9.378 3.554 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.742 3.402 -10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.816 1.190 -10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.763 1.493 -8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.530 1.625 -8.459 1.00 0.00 H new ATOM 703 N ASP A 47 -11.935 4.028 -9.593 1.00 0.00 N ATOM 704 CA ASP A 47 -13.131 4.526 -10.254 1.00 0.00 C ATOM 705 C ASP A 47 -12.880 5.937 -10.801 1.00 0.00 C ATOM 706 O ASP A 47 -13.059 6.181 -11.993 1.00 0.00 O ATOM 707 CB ASP A 47 -14.326 4.500 -9.296 1.00 0.00 C ATOM 708 CG ASP A 47 -15.574 5.023 -9.999 1.00 0.00 C ATOM 709 OD1 ASP A 47 -16.121 4.260 -10.825 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.944 6.182 -9.713 1.00 0.00 O ATOM 0 H ASP A 47 -12.011 3.949 -8.579 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.370 3.875 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.497 3.483 -8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.111 5.110 -8.418 1.00 0.00 H new ATOM 715 N GLU A 48 -12.476 6.868 -9.935 1.00 0.00 N ATOM 716 CA GLU A 48 -12.236 8.264 -10.291 1.00 0.00 C ATOM 717 C GLU A 48 -11.331 8.410 -11.520 1.00 0.00 C ATOM 718 O GLU A 48 -11.649 9.151 -12.448 1.00 0.00 O ATOM 719 CB GLU A 48 -11.617 8.994 -9.093 1.00 0.00 C ATOM 720 CG GLU A 48 -12.592 9.161 -7.922 1.00 0.00 C ATOM 721 CD GLU A 48 -11.869 9.644 -6.670 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.027 10.559 -6.808 1.00 0.00 O ATOM 723 OE2 GLU A 48 -12.164 9.084 -5.593 1.00 0.00 O ATOM 0 H GLU A 48 -12.304 6.668 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.197 8.709 -10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.740 8.443 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.271 9.977 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.372 9.873 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.085 8.211 -7.717 1.00 0.00 H new ATOM 730 N TYR A 49 -10.192 7.717 -11.514 1.00 0.00 N ATOM 731 CA TYR A 49 -9.189 7.772 -12.568 1.00 0.00 C ATOM 732 C TYR A 49 -9.347 6.612 -13.557 1.00 0.00 C ATOM 733 O TYR A 49 -8.363 6.210 -14.180 1.00 0.00 O ATOM 734 CB TYR A 49 -7.786 7.770 -11.936 1.00 0.00 C ATOM 735 CG TYR A 49 -7.431 8.994 -11.112 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.934 9.127 -9.808 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.513 9.943 -11.601 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.547 10.211 -9.006 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.099 11.012 -10.787 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.621 11.149 -9.488 1.00 0.00 C ATOM 741 OH TYR A 49 -6.242 12.189 -8.694 1.00 0.00 O ATOM 0 H TYR A 49 -9.939 7.086 -10.754 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.328 8.693 -13.134 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.696 6.889 -11.301 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.049 7.665 -12.733 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.623 8.391 -9.420 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.126 9.849 -12.605 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.963 10.324 -8.016 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.381 11.728 -11.159 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.595 12.748 -9.173 1.00 0.00 H new ATOM 751 N GLN A 50 -10.555 6.062 -13.731 1.00 0.00 N ATOM 752 CA GLN A 50 -10.753 4.964 -14.662 1.00 0.00 C ATOM 753 C GLN A 50 -10.275 5.353 -16.065 1.00 0.00 C ATOM 754 O GLN A 50 -10.680 6.380 -16.603 1.00 0.00 O ATOM 755 CB GLN A 50 -12.214 4.500 -14.633 1.00 0.00 C ATOM 756 CG GLN A 50 -13.229 5.526 -15.158 1.00 0.00 C ATOM 757 CD GLN A 50 -14.653 5.058 -14.875 1.00 0.00 C ATOM 758 OE1 GLN A 50 -15.342 4.557 -15.758 1.00 0.00 O ATOM 759 NE2 GLN A 50 -15.099 5.211 -13.634 1.00 0.00 N ATOM 0 H GLN A 50 -11.398 6.362 -13.241 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.145 4.113 -14.354 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.302 3.588 -15.224 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.478 4.242 -13.607 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.056 6.493 -14.685 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.092 5.667 -16.230 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.499 5.632 -12.925 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.042 4.908 -13.390 1.00 0.00 H new ATOM 768 N GLY A 51 -9.365 4.560 -16.640 1.00 0.00 N ATOM 769 CA GLY A 51 -8.790 4.829 -17.951 1.00 0.00 C ATOM 770 C GLY A 51 -7.678 5.885 -17.919 1.00 0.00 C ATOM 771 O GLY A 51 -6.975 6.051 -18.912 1.00 0.00 O ATOM 0 H GLY A 51 -9.008 3.710 -16.202 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.390 3.902 -18.362 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.579 5.162 -18.625 1.00 0.00 H new ATOM 775 N LYS A 52 -7.499 6.586 -16.794 1.00 0.00 N ATOM 776 CA LYS A 52 -6.479 7.611 -16.612 1.00 0.00 C ATOM 777 C LYS A 52 -5.293 7.013 -15.850 1.00 0.00 C ATOM 778 O LYS A 52 -4.141 7.273 -16.191 1.00 0.00 O ATOM 779 CB LYS A 52 -7.058 8.815 -15.852 1.00 0.00 C ATOM 780 CG LYS A 52 -8.455 9.222 -16.338 1.00 0.00 C ATOM 781 CD LYS A 52 -8.903 10.522 -15.653 1.00 0.00 C ATOM 782 CE LYS A 52 -10.421 10.711 -15.758 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.880 10.717 -17.159 1.00 0.00 N ATOM 0 H LYS A 52 -8.078 6.448 -15.966 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.139 7.960 -17.587 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.105 8.577 -14.789 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.382 9.663 -15.959 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.445 9.358 -17.419 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.168 8.426 -16.123 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.608 10.503 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.396 11.371 -16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.925 9.911 -15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.704 11.649 -15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.885 10.981 -17.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.322 11.405 -17.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.757 9.769 -17.569 1.00 0.00 H new ATOM 797 N LEU A 53 -5.578 6.210 -14.818 1.00 0.00 N ATOM 798 CA LEU A 53 -4.577 5.553 -13.989 1.00 0.00 C ATOM 799 C LEU A 53 -4.995 4.101 -13.794 1.00 0.00 C ATOM 800 O LEU A 53 -6.119 3.836 -13.371 1.00 0.00 O ATOM 801 CB LEU A 53 -4.499 6.263 -12.631 1.00 0.00 C ATOM 802 CG LEU A 53 -3.483 5.650 -11.656 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.041 5.965 -12.062 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.757 6.211 -10.259 1.00 0.00 C ATOM 0 H LEU A 53 -6.535 5.998 -14.535 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.598 5.595 -14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.242 7.309 -12.795 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.486 6.246 -12.168 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.596 4.566 -11.670 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.354 5.513 -11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.846 5.562 -13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.894 7.045 -12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.045 5.787 -9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.651 7.296 -10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.771 5.950 -9.954 1.00 0.00 H new ATOM 816 N THR A 54 -4.091 3.158 -14.062 1.00 0.00 N ATOM 817 CA THR A 54 -4.369 1.750 -13.837 1.00 0.00 C ATOM 818 C THR A 54 -4.001 1.438 -12.386 1.00 0.00 C ATOM 819 O THR A 54 -2.824 1.322 -12.050 1.00 0.00 O ATOM 820 CB THR A 54 -3.571 0.904 -14.837 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.869 1.324 -16.151 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.875 -0.590 -14.713 1.00 0.00 C ATOM 0 H THR A 54 -3.161 3.350 -14.435 1.00 0.00 H new ATOM 0 HA THR A 54 -5.421 1.514 -13.994 1.00 0.00 H new ATOM 0 HB THR A 54 -2.514 1.049 -14.612 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.358 0.785 -16.790 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.284 -1.143 -15.443 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.623 -0.931 -13.709 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.935 -0.762 -14.899 1.00 0.00 H new ATOM 830 N VAL A 55 -4.995 1.307 -11.508 1.00 0.00 N ATOM 831 CA VAL A 55 -4.723 0.970 -10.120 1.00 0.00 C ATOM 832 C VAL A 55 -4.476 -0.537 -10.063 1.00 0.00 C ATOM 833 O VAL A 55 -5.233 -1.325 -10.631 1.00 0.00 O ATOM 834 CB VAL A 55 -5.875 1.420 -9.213 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.578 1.076 -7.748 1.00 0.00 C ATOM 836 CG2 VAL A 55 -6.057 2.939 -9.305 1.00 0.00 C ATOM 0 H VAL A 55 -5.982 1.428 -11.733 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.841 1.493 -9.750 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.776 0.904 -9.544 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.408 1.404 -7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.450 -0.002 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.665 1.581 -7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.878 3.247 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.139 3.435 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.284 3.217 -10.334 1.00 0.00 H new ATOM 846 N ALA A 56 -3.393 -0.943 -9.404 1.00 0.00 N ATOM 847 CA ALA A 56 -2.989 -2.331 -9.303 1.00 0.00 C ATOM 848 C ALA A 56 -2.569 -2.651 -7.873 1.00 0.00 C ATOM 849 O ALA A 56 -2.087 -1.785 -7.142 1.00 0.00 O ATOM 850 CB ALA A 56 -1.869 -2.604 -10.305 1.00 0.00 C ATOM 0 H ALA A 56 -2.766 -0.301 -8.920 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.827 -2.984 -9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.562 -3.647 -10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.226 -2.400 -11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.018 -1.959 -10.084 1.00 0.00 H new ATOM 856 N LYS A 57 -2.741 -3.911 -7.482 1.00 0.00 N ATOM 857 CA LYS A 57 -2.368 -4.429 -6.180 1.00 0.00 C ATOM 858 C LYS A 57 -1.533 -5.677 -6.418 1.00 0.00 C ATOM 859 O LYS A 57 -1.820 -6.440 -7.335 1.00 0.00 O ATOM 860 CB LYS A 57 -3.614 -4.763 -5.349 1.00 0.00 C ATOM 861 CG LYS A 57 -4.078 -3.565 -4.513 1.00 0.00 C ATOM 862 CD LYS A 57 -5.310 -3.955 -3.682 1.00 0.00 C ATOM 863 CE LYS A 57 -5.734 -2.841 -2.716 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.760 -2.655 -1.622 1.00 0.00 N ATOM 0 H LYS A 57 -3.158 -4.618 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.801 -3.685 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.420 -5.077 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.397 -5.604 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.274 -3.236 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.319 -2.726 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.138 -4.188 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.093 -4.861 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.843 -1.907 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.711 -3.079 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.141 -1.979 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.585 -3.567 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.868 -2.288 -2.010 1.00 0.00 H new ATOM 878 N LEU A 58 -0.500 -5.881 -5.607 1.00 0.00 N ATOM 879 CA LEU A 58 0.386 -7.020 -5.697 1.00 0.00 C ATOM 880 C LEU A 58 0.561 -7.616 -4.307 1.00 0.00 C ATOM 881 O LEU A 58 1.093 -6.969 -3.404 1.00 0.00 O ATOM 882 CB LEU A 58 1.698 -6.571 -6.329 1.00 0.00 C ATOM 883 CG LEU A 58 2.603 -7.770 -6.654 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.403 -7.402 -7.894 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.571 -8.111 -5.515 1.00 0.00 C ATOM 0 H LEU A 58 -0.256 -5.239 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.026 -7.804 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.491 -6.011 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.218 -5.894 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 58 1.978 -8.650 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.061 -8.229 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.721 -7.200 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.001 -6.513 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.184 -8.965 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.214 -7.254 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.004 -8.356 -4.617 1.00 0.00 H new ATOM 897 N ASN A 59 0.084 -8.845 -4.126 1.00 0.00 N ATOM 898 CA ASN A 59 0.162 -9.537 -2.854 1.00 0.00 C ATOM 899 C ASN A 59 1.561 -10.135 -2.696 1.00 0.00 C ATOM 900 O ASN A 59 1.890 -11.109 -3.381 1.00 0.00 O ATOM 901 CB ASN A 59 -0.928 -10.608 -2.800 1.00 0.00 C ATOM 902 CG ASN A 59 -0.922 -11.336 -1.463 1.00 0.00 C ATOM 903 OD1 ASN A 59 0.122 -11.772 -0.992 1.00 0.00 O ATOM 904 ND2 ASN A 59 -2.078 -11.489 -0.834 1.00 0.00 N ATOM 0 H ASN A 59 -0.368 -9.386 -4.863 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.004 -8.848 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.902 -10.147 -2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.777 -11.325 -3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.111 -11.978 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.935 -11.118 -1.244 1.00 0.00 H new ATOM 911 N ILE A 60 2.378 -9.565 -1.805 1.00 0.00 N ATOM 912 CA ILE A 60 3.740 -10.032 -1.579 1.00 0.00 C ATOM 913 C ILE A 60 3.794 -11.376 -0.851 1.00 0.00 C ATOM 914 O ILE A 60 4.783 -12.089 -0.984 1.00 0.00 O ATOM 915 CB ILE A 60 4.625 -8.975 -0.897 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.252 -8.698 0.569 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.641 -7.675 -1.712 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.476 -8.247 1.370 1.00 0.00 C ATOM 0 H ILE A 60 2.111 -8.770 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 60 4.160 -10.199 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 60 5.629 -9.398 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.481 -7.929 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.831 -9.598 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.273 -6.940 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.035 -7.875 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.627 -7.285 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.185 -8.058 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.236 -9.028 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.880 -7.334 0.934 1.00 0.00 H new ATOM 930 N ASP A 61 2.751 -11.755 -0.101 1.00 0.00 N ATOM 931 CA ASP A 61 2.734 -13.058 0.562 1.00 0.00 C ATOM 932 C ASP A 61 2.799 -14.132 -0.516 1.00 0.00 C ATOM 933 O ASP A 61 3.596 -15.063 -0.436 1.00 0.00 O ATOM 934 CB ASP A 61 1.476 -13.275 1.417 1.00 0.00 C ATOM 935 CG ASP A 61 1.280 -12.227 2.500 1.00 0.00 C ATOM 936 OD1 ASP A 61 2.262 -11.981 3.236 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.150 -11.694 2.583 1.00 0.00 O ATOM 0 H ASP A 61 1.921 -11.185 0.058 1.00 0.00 H new ATOM 0 HA ASP A 61 3.588 -13.108 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.602 -13.278 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.530 -14.259 1.883 1.00 0.00 H new ATOM 942 N GLN A 62 1.955 -13.975 -1.537 1.00 0.00 N ATOM 943 CA GLN A 62 1.920 -14.888 -2.664 1.00 0.00 C ATOM 944 C GLN A 62 3.115 -14.635 -3.593 1.00 0.00 C ATOM 945 O GLN A 62 3.623 -15.571 -4.204 1.00 0.00 O ATOM 946 CB GLN A 62 0.581 -14.769 -3.410 1.00 0.00 C ATOM 947 CG GLN A 62 -0.658 -14.852 -2.499 1.00 0.00 C ATOM 948 CD GLN A 62 -0.622 -15.999 -1.492 1.00 0.00 C ATOM 949 OE1 GLN A 62 -0.250 -17.117 -1.829 1.00 0.00 O ATOM 950 NE2 GLN A 62 -1.018 -15.743 -0.246 1.00 0.00 N ATOM 0 H GLN A 62 1.281 -13.212 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 62 2.000 -15.911 -2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.560 -13.821 -3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.522 -15.560 -4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.760 -13.912 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.546 -14.959 -3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.323 -14.804 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.016 -16.486 0.453 1.00 0.00 H new ATOM 959 N ASN A 63 3.553 -13.375 -3.718 1.00 0.00 N ATOM 960 CA ASN A 63 4.646 -12.973 -4.607 1.00 0.00 C ATOM 961 C ASN A 63 5.808 -12.338 -3.837 1.00 0.00 C ATOM 962 O ASN A 63 6.030 -11.133 -3.961 1.00 0.00 O ATOM 963 CB ASN A 63 4.120 -11.982 -5.650 1.00 0.00 C ATOM 964 CG ASN A 63 2.971 -12.559 -6.453 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.180 -13.198 -7.479 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.744 -12.326 -6.004 1.00 0.00 N ATOM 0 H ASN A 63 3.151 -12.597 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 63 5.023 -13.871 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.792 -11.070 -5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.929 -11.702 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.937 -12.682 -6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.608 -11.790 -5.147 1.00 0.00 H new ATOM 973 N PRO A 64 6.578 -13.109 -3.057 1.00 0.00 N ATOM 974 CA PRO A 64 7.683 -12.559 -2.290 1.00 0.00 C ATOM 975 C PRO A 64 8.736 -11.934 -3.206 1.00 0.00 C ATOM 976 O PRO A 64 9.160 -10.807 -2.971 1.00 0.00 O ATOM 977 CB PRO A 64 8.227 -13.721 -1.451 1.00 0.00 C ATOM 978 CG PRO A 64 7.765 -14.976 -2.197 1.00 0.00 C ATOM 979 CD PRO A 64 6.443 -14.538 -2.828 1.00 0.00 C ATOM 0 HA PRO A 64 7.366 -11.743 -1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.314 -13.681 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.834 -13.695 -0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.488 -15.286 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.629 -15.820 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.258 -15.070 -3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.603 -14.752 -2.168 1.00 0.00 H new ATOM 987 N GLY A 65 9.151 -12.664 -4.247 1.00 0.00 N ATOM 988 CA GLY A 65 10.173 -12.262 -5.208 1.00 0.00 C ATOM 989 C GLY A 65 10.106 -10.799 -5.656 1.00 0.00 C ATOM 990 O GLY A 65 11.139 -10.142 -5.775 1.00 0.00 O ATOM 0 H GLY A 65 8.766 -13.587 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.154 -12.447 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.092 -12.899 -6.089 1.00 0.00 H new ATOM 994 N THR A 66 8.909 -10.278 -5.930 1.00 0.00 N ATOM 995 CA THR A 66 8.751 -8.913 -6.408 1.00 0.00 C ATOM 996 C THR A 66 9.194 -7.868 -5.370 1.00 0.00 C ATOM 997 O THR A 66 9.577 -6.762 -5.746 1.00 0.00 O ATOM 998 CB THR A 66 7.317 -8.709 -6.919 1.00 0.00 C ATOM 999 OG1 THR A 66 6.759 -9.960 -7.278 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.294 -7.811 -8.159 1.00 0.00 C ATOM 0 H THR A 66 8.032 -10.789 -5.827 1.00 0.00 H new ATOM 0 HA THR A 66 9.425 -8.755 -7.250 1.00 0.00 H new ATOM 0 HB THR A 66 6.743 -8.239 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.298 -10.367 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.266 -7.685 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.716 -6.837 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.883 -8.271 -8.952 1.00 0.00 H new ATOM 1008 N ALA A 67 9.167 -8.194 -4.072 1.00 0.00 N ATOM 1009 CA ALA A 67 9.571 -7.261 -3.024 1.00 0.00 C ATOM 1010 C ALA A 67 11.023 -6.777 -3.190 1.00 0.00 C ATOM 1011 O ALA A 67 11.218 -5.582 -3.420 1.00 0.00 O ATOM 1012 CB ALA A 67 9.255 -7.829 -1.635 1.00 0.00 C ATOM 0 H ALA A 67 8.867 -9.105 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 67 8.972 -6.356 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.565 -7.116 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.183 -8.008 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.792 -8.767 -1.495 1.00 0.00 H new ATOM 1018 N PRO A 68 12.052 -7.642 -3.095 1.00 0.00 N ATOM 1019 CA PRO A 68 13.433 -7.223 -3.279 1.00 0.00 C ATOM 1020 C PRO A 68 13.649 -6.627 -4.671 1.00 0.00 C ATOM 1021 O PRO A 68 14.382 -5.649 -4.793 1.00 0.00 O ATOM 1022 CB PRO A 68 14.301 -8.460 -3.032 1.00 0.00 C ATOM 1023 CG PRO A 68 13.350 -9.622 -3.302 1.00 0.00 C ATOM 1024 CD PRO A 68 12.009 -9.068 -2.822 1.00 0.00 C ATOM 0 HA PRO A 68 13.704 -6.431 -2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.164 -8.484 -3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.685 -8.484 -2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.324 -9.889 -4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.639 -10.519 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.179 -9.542 -3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.865 -9.259 -1.759 1.00 0.00 H new ATOM 1032 N LYS A 69 12.998 -7.170 -5.711 1.00 0.00 N ATOM 1033 CA LYS A 69 13.114 -6.641 -7.070 1.00 0.00 C ATOM 1034 C LYS A 69 12.835 -5.130 -7.122 1.00 0.00 C ATOM 1035 O LYS A 69 13.421 -4.440 -7.951 1.00 0.00 O ATOM 1036 CB LYS A 69 12.204 -7.408 -8.040 1.00 0.00 C ATOM 1037 CG LYS A 69 12.745 -8.815 -8.331 1.00 0.00 C ATOM 1038 CD LYS A 69 11.740 -9.712 -9.071 1.00 0.00 C ATOM 1039 CE LYS A 69 11.201 -9.094 -10.366 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.302 -10.029 -11.069 1.00 0.00 N ATOM 0 H LYS A 69 12.383 -7.980 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 69 14.146 -6.788 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.202 -7.483 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.115 -6.852 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.654 -8.731 -8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.023 -9.291 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.218 -10.663 -9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.903 -9.930 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.665 -8.173 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.033 -8.825 -11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.822 -9.531 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.857 -10.819 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.593 -10.397 -10.402 1.00 0.00 H new ATOM 1054 N TYR A 70 11.967 -4.615 -6.239 1.00 0.00 N ATOM 1055 CA TYR A 70 11.672 -3.188 -6.150 1.00 0.00 C ATOM 1056 C TYR A 70 12.030 -2.623 -4.776 1.00 0.00 C ATOM 1057 O TYR A 70 11.525 -1.574 -4.380 1.00 0.00 O ATOM 1058 CB TYR A 70 10.219 -2.937 -6.560 1.00 0.00 C ATOM 1059 CG TYR A 70 10.040 -3.182 -8.042 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.603 -2.269 -8.954 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.701 -4.476 -8.472 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.901 -2.675 -10.267 1.00 0.00 C ATOM 1063 CE2 TYR A 70 10.020 -4.890 -9.774 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.670 -4.007 -10.652 1.00 0.00 C ATOM 1065 OH TYR A 70 11.066 -4.452 -11.876 1.00 0.00 O ATOM 0 H TYR A 70 11.451 -5.183 -5.567 1.00 0.00 H new ATOM 0 HA TYR A 70 12.303 -2.642 -6.851 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.556 -3.592 -5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.938 -1.912 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.806 -1.255 -8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.194 -5.153 -7.800 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.305 -1.967 -10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.766 -5.887 -10.101 1.00 0.00 H new ATOM 0 HH TYR A 70 10.827 -5.397 -11.973 1.00 0.00 H new ATOM 1075 N GLY A 71 12.928 -3.303 -4.060 1.00 0.00 N ATOM 1076 CA GLY A 71 13.421 -2.893 -2.760 1.00 0.00 C ATOM 1077 C GLY A 71 12.311 -2.447 -1.811 1.00 0.00 C ATOM 1078 O GLY A 71 12.477 -1.444 -1.121 1.00 0.00 O ATOM 0 H GLY A 71 13.339 -4.178 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.967 -3.721 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.131 -2.076 -2.889 1.00 0.00 H new ATOM 1082 N ILE A 72 11.191 -3.176 -1.773 1.00 0.00 N ATOM 1083 CA ILE A 72 10.091 -2.884 -0.854 1.00 0.00 C ATOM 1084 C ILE A 72 10.641 -2.730 0.567 1.00 0.00 C ATOM 1085 O ILE A 72 11.229 -3.656 1.122 1.00 0.00 O ATOM 1086 CB ILE A 72 8.979 -3.947 -0.991 1.00 0.00 C ATOM 1087 CG1 ILE A 72 7.920 -3.535 -2.027 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.238 -4.254 0.315 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.483 -3.156 -3.395 1.00 0.00 C ATOM 0 H ILE A 72 11.024 -3.981 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 72 9.619 -1.935 -1.108 1.00 0.00 H new ATOM 0 HB ILE A 72 9.514 -4.842 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.215 -4.357 -2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.356 -2.689 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.474 -5.010 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.946 -4.626 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.766 -3.345 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.666 -2.880 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.164 -2.312 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.022 -4.006 -3.815 1.00 0.00 H new ATOM 1101 N ARG A 73 10.480 -1.530 1.129 1.00 0.00 N ATOM 1102 CA ARG A 73 11.012 -1.159 2.428 1.00 0.00 C ATOM 1103 C ARG A 73 10.140 -1.703 3.561 1.00 0.00 C ATOM 1104 O ARG A 73 10.637 -2.102 4.611 1.00 0.00 O ATOM 1105 CB ARG A 73 11.077 0.371 2.508 1.00 0.00 C ATOM 1106 CG ARG A 73 11.730 1.031 1.278 1.00 0.00 C ATOM 1107 CD ARG A 73 10.708 1.518 0.236 1.00 0.00 C ATOM 1108 NE ARG A 73 10.745 0.774 -1.033 1.00 0.00 N ATOM 1109 CZ ARG A 73 10.031 1.134 -2.115 1.00 0.00 C ATOM 1110 NH1 ARG A 73 9.222 2.198 -2.061 1.00 0.00 N ATOM 1111 NH2 ARG A 73 10.122 0.446 -3.256 1.00 0.00 N ATOM 0 H ARG A 73 9.963 -0.776 0.677 1.00 0.00 H new ATOM 0 HA ARG A 73 12.007 -1.589 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.067 0.763 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.635 0.655 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.335 1.876 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.407 0.318 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.707 1.442 0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.888 2.573 0.032 1.00 0.00 H new ATOM 0 HE ARG A 73 11.339 -0.053 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.146 2.738 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.681 2.470 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.739 -0.364 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.575 0.731 -4.068 1.00 0.00 H new ATOM 1125 N GLY A 74 8.829 -1.702 3.335 1.00 0.00 N ATOM 1126 CA GLY A 74 7.793 -2.160 4.241 1.00 0.00 C ATOM 1127 C GLY A 74 6.511 -2.162 3.419 1.00 0.00 C ATOM 1128 O GLY A 74 6.577 -1.901 2.218 1.00 0.00 O ATOM 0 H GLY A 74 8.443 -1.358 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.017 -3.156 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.706 -1.500 5.104 1.00 0.00 H new ATOM 1132 N ILE A 75 5.350 -2.429 4.015 1.00 0.00 N ATOM 1133 CA ILE A 75 4.092 -2.435 3.280 1.00 0.00 C ATOM 1134 C ILE A 75 2.989 -1.797 4.131 1.00 0.00 C ATOM 1135 O ILE A 75 3.077 -1.872 5.356 1.00 0.00 O ATOM 1136 CB ILE A 75 3.732 -3.862 2.836 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.955 -4.871 3.971 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.532 -4.268 1.588 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.151 -6.135 3.702 1.00 0.00 C ATOM 0 H ILE A 75 5.257 -2.644 5.008 1.00 0.00 H new ATOM 0 HA ILE A 75 4.198 -1.838 2.374 1.00 0.00 H new ATOM 0 HB ILE A 75 2.672 -3.870 2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.015 -5.113 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.655 -4.434 4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.259 -5.282 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.307 -3.581 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.598 -4.230 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.313 -6.848 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.091 -5.887 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.472 -6.577 2.759 1.00 0.00 H new ATOM 1151 N PRO A 76 1.956 -1.181 3.527 1.00 0.00 N ATOM 1152 CA PRO A 76 1.756 -1.040 2.091 1.00 0.00 C ATOM 1153 C PRO A 76 2.803 -0.119 1.472 1.00 0.00 C ATOM 1154 O PRO A 76 3.294 0.798 2.126 1.00 0.00 O ATOM 1155 CB PRO A 76 0.366 -0.422 1.914 1.00 0.00 C ATOM 1156 CG PRO A 76 0.133 0.317 3.232 1.00 0.00 C ATOM 1157 CD PRO A 76 0.867 -0.553 4.252 1.00 0.00 C ATOM 0 HA PRO A 76 1.845 -2.008 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.334 0.257 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.393 -1.185 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.535 1.330 3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.929 0.402 3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.244 0.048 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.200 -1.301 4.680 1.00 0.00 H new ATOM 1165 N THR A 77 3.137 -0.375 0.211 1.00 0.00 N ATOM 1166 CA THR A 77 4.050 0.440 -0.573 1.00 0.00 C ATOM 1167 C THR A 77 3.366 0.625 -1.919 1.00 0.00 C ATOM 1168 O THR A 77 2.667 -0.287 -2.368 1.00 0.00 O ATOM 1169 CB THR A 77 5.440 -0.222 -0.669 1.00 0.00 C ATOM 1170 OG1 THR A 77 6.172 0.092 0.492 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.276 0.257 -1.855 1.00 0.00 C ATOM 0 H THR A 77 2.770 -1.175 -0.304 1.00 0.00 H new ATOM 0 HA THR A 77 4.248 1.410 -0.117 1.00 0.00 H new ATOM 0 HB THR A 77 5.257 -1.289 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.190 -0.686 1.088 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.238 -0.255 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.750 0.036 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.437 1.332 -1.776 1.00 0.00 H new ATOM 1179 N LEU A 78 3.540 1.789 -2.548 1.00 0.00 N ATOM 1180 CA LEU A 78 2.973 2.098 -3.850 1.00 0.00 C ATOM 1181 C LEU A 78 4.146 2.440 -4.772 1.00 0.00 C ATOM 1182 O LEU A 78 4.997 3.241 -4.386 1.00 0.00 O ATOM 1183 CB LEU A 78 1.971 3.273 -3.803 1.00 0.00 C ATOM 1184 CG LEU A 78 1.176 3.508 -2.504 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.385 4.818 -2.620 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.160 2.415 -2.189 1.00 0.00 C ATOM 0 H LEU A 78 4.090 2.553 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 78 2.407 1.239 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.521 4.187 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.253 3.129 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 78 1.920 3.525 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.178 4.986 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.075 5.647 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.305 4.753 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.357 2.655 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.565 2.347 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.674 1.460 -2.081 1.00 0.00 H new ATOM 1198 N LEU A 79 4.197 1.860 -5.971 1.00 0.00 N ATOM 1199 CA LEU A 79 5.182 2.152 -7.007 1.00 0.00 C ATOM 1200 C LEU A 79 4.359 2.677 -8.178 1.00 0.00 C ATOM 1201 O LEU A 79 3.526 1.940 -8.704 1.00 0.00 O ATOM 1202 CB LEU A 79 5.911 0.885 -7.483 1.00 0.00 C ATOM 1203 CG LEU A 79 7.058 0.299 -6.646 1.00 0.00 C ATOM 1204 CD1 LEU A 79 8.347 1.106 -6.799 1.00 0.00 C ATOM 1205 CD2 LEU A 79 6.697 0.141 -5.173 1.00 0.00 C ATOM 0 H LEU A 79 3.526 1.146 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 79 5.936 2.844 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.161 0.103 -7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.308 1.093 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 79 7.232 -0.701 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.132 0.657 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.654 1.106 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.175 2.131 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.546 -0.277 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.444 1.115 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.842 -0.528 -5.078 1.00 0.00 H new ATOM 1217 N LEU A 80 4.568 3.926 -8.588 1.00 0.00 N ATOM 1218 CA LEU A 80 3.834 4.495 -9.704 1.00 0.00 C ATOM 1219 C LEU A 80 4.673 4.286 -10.960 1.00 0.00 C ATOM 1220 O LEU A 80 5.597 5.046 -11.236 1.00 0.00 O ATOM 1221 CB LEU A 80 3.498 5.951 -9.389 1.00 0.00 C ATOM 1222 CG LEU A 80 2.676 6.671 -10.477 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.751 5.771 -11.309 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.775 7.687 -9.774 1.00 0.00 C ATOM 0 H LEU A 80 5.242 4.561 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 80 2.875 4.008 -9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.945 5.987 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.427 6.499 -9.232 1.00 0.00 H new ATOM 0 HG LEU A 80 3.404 7.100 -11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.220 6.376 -12.044 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.345 5.015 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.031 5.283 -10.652 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.177 8.217 -10.515 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.115 7.168 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.390 8.401 -9.226 1.00 0.00 H new ATOM 1236 N PHE A 81 4.349 3.228 -11.703 1.00 0.00 N ATOM 1237 CA PHE A 81 5.039 2.809 -12.907 1.00 0.00 C ATOM 1238 C PHE A 81 4.434 3.471 -14.140 1.00 0.00 C ATOM 1239 O PHE A 81 3.367 3.061 -14.587 1.00 0.00 O ATOM 1240 CB PHE A 81 4.922 1.287 -13.041 1.00 0.00 C ATOM 1241 CG PHE A 81 5.898 0.520 -12.176 1.00 0.00 C ATOM 1242 CD1 PHE A 81 7.181 0.232 -12.672 1.00 0.00 C ATOM 1243 CD2 PHE A 81 5.493 -0.006 -10.937 1.00 0.00 C ATOM 1244 CE1 PHE A 81 8.037 -0.629 -11.968 1.00 0.00 C ATOM 1245 CE2 PHE A 81 6.342 -0.882 -10.239 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.623 -1.169 -10.741 1.00 0.00 C ATOM 0 H PHE A 81 3.565 2.619 -11.467 1.00 0.00 H new ATOM 0 HA PHE A 81 6.085 3.107 -12.835 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.907 0.986 -12.782 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.080 1.010 -14.083 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.510 0.676 -13.600 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.532 0.262 -10.523 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.009 -0.875 -12.369 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.010 -1.335 -9.316 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.290 -1.807 -10.181 1.00 0.00 H new ATOM 1256 N LYS A 82 5.136 4.436 -14.731 1.00 0.00 N ATOM 1257 CA LYS A 82 4.741 5.051 -15.986 1.00 0.00 C ATOM 1258 C LYS A 82 5.513 4.322 -17.083 1.00 0.00 C ATOM 1259 O LYS A 82 6.734 4.445 -17.177 1.00 0.00 O ATOM 1260 CB LYS A 82 4.997 6.563 -15.963 1.00 0.00 C ATOM 1261 CG LYS A 82 4.060 7.240 -14.954 1.00 0.00 C ATOM 1262 CD LYS A 82 4.196 8.770 -14.954 1.00 0.00 C ATOM 1263 CE LYS A 82 3.470 9.420 -16.138 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.597 10.889 -16.104 1.00 0.00 N ATOM 0 H LYS A 82 6.002 4.813 -14.345 1.00 0.00 H new ATOM 0 HA LYS A 82 3.671 4.955 -16.168 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.035 6.760 -15.696 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.838 6.982 -16.957 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.029 6.971 -15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.273 6.860 -13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.795 9.168 -14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.252 9.038 -14.987 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.881 9.039 -17.073 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.416 9.143 -16.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.913 11.312 -16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.406 11.232 -15.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.561 11.161 -16.384 1.00 0.00 H new ATOM 1278 N ASN A 83 4.801 3.519 -17.881 1.00 0.00 N ATOM 1279 CA ASN A 83 5.367 2.729 -18.970 1.00 0.00 C ATOM 1280 C ASN A 83 6.610 1.954 -18.532 1.00 0.00 C ATOM 1281 O ASN A 83 7.631 1.965 -19.211 1.00 0.00 O ATOM 1282 CB ASN A 83 5.641 3.608 -20.200 1.00 0.00 C ATOM 1283 CG ASN A 83 4.359 4.173 -20.796 1.00 0.00 C ATOM 1284 OD1 ASN A 83 4.088 5.365 -20.699 1.00 0.00 O ATOM 1285 ND2 ASN A 83 3.539 3.321 -21.405 1.00 0.00 N ATOM 0 H ASN A 83 3.793 3.400 -17.782 1.00 0.00 H new ATOM 0 HA ASN A 83 4.625 1.983 -19.255 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.302 4.428 -19.919 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.164 3.021 -20.955 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.662 3.655 -21.804 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.787 2.334 -21.473 1.00 0.00 H new ATOM 1292 N GLY A 84 6.519 1.267 -17.391 1.00 0.00 N ATOM 1293 CA GLY A 84 7.610 0.456 -16.875 1.00 0.00 C ATOM 1294 C GLY A 84 8.622 1.229 -16.028 1.00 0.00 C ATOM 1295 O GLY A 84 9.357 0.600 -15.267 1.00 0.00 O ATOM 0 H GLY A 84 5.685 1.261 -16.804 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.194 -0.353 -16.275 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.132 -0.005 -17.713 1.00 0.00 H new ATOM 1299 N GLU A 85 8.662 2.564 -16.102 1.00 0.00 N ATOM 1300 CA GLU A 85 9.588 3.351 -15.298 1.00 0.00 C ATOM 1301 C GLU A 85 8.902 3.827 -14.022 1.00 0.00 C ATOM 1302 O GLU A 85 7.826 4.418 -14.076 1.00 0.00 O ATOM 1303 CB GLU A 85 10.114 4.551 -16.091 1.00 0.00 C ATOM 1304 CG GLU A 85 11.155 4.132 -17.136 1.00 0.00 C ATOM 1305 CD GLU A 85 10.536 3.448 -18.349 1.00 0.00 C ATOM 1306 OE1 GLU A 85 9.905 4.177 -19.147 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.723 2.216 -18.463 1.00 0.00 O ATOM 0 H GLU A 85 8.061 3.117 -16.713 1.00 0.00 H new ATOM 0 HA GLU A 85 10.434 2.717 -15.032 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.282 5.051 -16.587 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.558 5.273 -15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.707 5.012 -17.464 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.876 3.458 -16.673 1.00 0.00 H new ATOM 1314 N VAL A 86 9.544 3.605 -12.875 1.00 0.00 N ATOM 1315 CA VAL A 86 9.034 4.086 -11.599 1.00 0.00 C ATOM 1316 C VAL A 86 9.154 5.612 -11.603 1.00 0.00 C ATOM 1317 O VAL A 86 10.260 6.142 -11.529 1.00 0.00 O ATOM 1318 CB VAL A 86 9.806 3.459 -10.423 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.300 4.008 -9.080 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.640 1.936 -10.402 1.00 0.00 C ATOM 0 H VAL A 86 10.423 3.092 -12.808 1.00 0.00 H new ATOM 0 HA VAL A 86 7.992 3.795 -11.470 1.00 0.00 H new ATOM 0 HB VAL A 86 10.856 3.716 -10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.861 3.550 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.439 5.089 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.241 3.775 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.196 1.521 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.584 1.686 -10.297 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.022 1.516 -11.332 1.00 0.00 H new ATOM 1330 N ALA A 87 8.025 6.316 -11.680 1.00 0.00 N ATOM 1331 CA ALA A 87 7.988 7.770 -11.675 1.00 0.00 C ATOM 1332 C ALA A 87 8.148 8.266 -10.238 1.00 0.00 C ATOM 1333 O ALA A 87 8.854 9.241 -9.990 1.00 0.00 O ATOM 1334 CB ALA A 87 6.668 8.244 -12.284 1.00 0.00 C ATOM 0 H ALA A 87 7.103 5.884 -11.748 1.00 0.00 H new ATOM 0 HA ALA A 87 8.803 8.176 -12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.637 9.334 -12.282 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.589 7.881 -13.309 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.836 7.856 -11.696 1.00 0.00 H new ATOM 1340 N ALA A 88 7.522 7.567 -9.288 1.00 0.00 N ATOM 1341 CA ALA A 88 7.620 7.856 -7.868 1.00 0.00 C ATOM 1342 C ALA A 88 7.191 6.615 -7.097 1.00 0.00 C ATOM 1343 O ALA A 88 6.662 5.663 -7.680 1.00 0.00 O ATOM 1344 CB ALA A 88 6.739 9.047 -7.487 1.00 0.00 C ATOM 0 H ALA A 88 6.922 6.769 -9.496 1.00 0.00 H new ATOM 0 HA ALA A 88 8.649 8.118 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.832 9.241 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.057 9.928 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.700 8.822 -7.726 1.00 0.00 H new ATOM 1350 N THR A 89 7.398 6.638 -5.781 1.00 0.00 N ATOM 1351 CA THR A 89 7.018 5.562 -4.894 1.00 0.00 C ATOM 1352 C THR A 89 6.598 6.166 -3.553 1.00 0.00 C ATOM 1353 O THR A 89 6.933 7.313 -3.257 1.00 0.00 O ATOM 1354 CB THR A 89 8.143 4.520 -4.802 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.733 3.399 -4.044 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.448 5.067 -4.220 1.00 0.00 C ATOM 0 H THR A 89 7.842 7.422 -5.303 1.00 0.00 H new ATOM 0 HA THR A 89 6.159 5.012 -5.279 1.00 0.00 H new ATOM 0 HB THR A 89 8.347 4.228 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.765 3.279 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.193 4.272 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.813 5.881 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.269 5.438 -3.211 1.00 0.00 H new ATOM 1364 N LYS A 90 5.826 5.405 -2.779 1.00 0.00 N ATOM 1365 CA LYS A 90 5.262 5.777 -1.495 1.00 0.00 C ATOM 1366 C LYS A 90 5.401 4.564 -0.580 1.00 0.00 C ATOM 1367 O LYS A 90 5.299 3.439 -1.066 1.00 0.00 O ATOM 1368 CB LYS A 90 3.789 6.121 -1.731 1.00 0.00 C ATOM 1369 CG LYS A 90 2.944 6.295 -0.466 1.00 0.00 C ATOM 1370 CD LYS A 90 3.309 7.509 0.399 1.00 0.00 C ATOM 1371 CE LYS A 90 3.131 8.839 -0.346 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.379 9.291 -0.988 1.00 0.00 N ATOM 0 H LYS A 90 5.566 4.458 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 90 5.761 6.633 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.737 7.042 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.343 5.335 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.896 6.377 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.037 5.395 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.688 7.512 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.344 7.417 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.355 8.728 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.788 9.602 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.579 10.272 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.165 8.678 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.275 9.242 -2.022 1.00 0.00 H new ATOM 1386 N VAL A 91 5.612 4.792 0.718 1.00 0.00 N ATOM 1387 CA VAL A 91 5.763 3.759 1.733 1.00 0.00 C ATOM 1388 C VAL A 91 4.806 4.098 2.875 1.00 0.00 C ATOM 1389 O VAL A 91 4.740 5.258 3.282 1.00 0.00 O ATOM 1390 CB VAL A 91 7.221 3.734 2.234 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.494 2.490 3.094 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.205 3.747 1.060 1.00 0.00 C ATOM 0 H VAL A 91 5.684 5.735 1.100 1.00 0.00 H new ATOM 0 HA VAL A 91 5.531 2.774 1.329 1.00 0.00 H new ATOM 0 HB VAL A 91 7.364 4.629 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.530 2.502 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.830 2.493 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.315 1.592 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.226 3.729 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.036 2.871 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.054 4.650 0.469 1.00 0.00 H new ATOM 1402 N GLY A 92 4.065 3.110 3.376 1.00 0.00 N ATOM 1403 CA GLY A 92 3.110 3.291 4.455 1.00 0.00 C ATOM 1404 C GLY A 92 1.770 3.811 3.941 1.00 0.00 C ATOM 1405 O GLY A 92 1.607 4.114 2.757 1.00 0.00 O ATOM 0 H GLY A 92 4.116 2.150 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.959 2.342 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.515 3.990 5.186 1.00 0.00 H new ATOM 1409 N ALA A 93 0.794 3.902 4.849 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.533 4.405 4.531 1.00 0.00 C ATOM 1411 C ALA A 93 -0.479 5.920 4.312 1.00 0.00 C ATOM 1412 O ALA A 93 0.516 6.568 4.633 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.508 4.036 5.655 1.00 0.00 C ATOM 0 H ALA A 93 0.908 3.627 5.825 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.888 3.946 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.501 4.414 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.548 2.952 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.169 4.479 6.591 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.559 6.487 3.774 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.676 7.904 3.480 1.00 0.00 C ATOM 1421 C LEU A 94 -3.156 8.254 3.368 1.00 0.00 C ATOM 1422 O LEU A 94 -3.993 7.357 3.262 1.00 0.00 O ATOM 1423 CB LEU A 94 -0.898 8.265 2.203 1.00 0.00 C ATOM 1424 CG LEU A 94 -1.488 7.743 0.880 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.564 8.179 -0.260 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -1.612 6.219 0.805 1.00 0.00 C ATOM 0 H LEU A 94 -2.394 5.955 3.527 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.235 8.492 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.825 9.351 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.118 7.882 2.300 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.494 8.156 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.962 7.820 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.501 9.267 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.430 7.761 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.036 5.935 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.626 5.768 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.263 5.867 1.605 1.00 0.00 H new ATOM 1438 N SER A 95 -3.480 9.547 3.391 1.00 0.00 N ATOM 1439 CA SER A 95 -4.849 10.011 3.270 1.00 0.00 C ATOM 1440 C SER A 95 -5.257 10.027 1.798 1.00 0.00 C ATOM 1441 O SER A 95 -4.406 10.026 0.904 1.00 0.00 O ATOM 1442 CB SER A 95 -4.952 11.424 3.857 1.00 0.00 C ATOM 1443 OG SER A 95 -4.244 12.334 3.036 1.00 0.00 O ATOM 0 H SER A 95 -2.796 10.297 3.494 1.00 0.00 H new ATOM 0 HA SER A 95 -5.516 9.342 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.998 11.723 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.545 11.439 4.868 1.00 0.00 H new ATOM 0 HG SER A 95 -3.696 12.922 3.597 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.566 10.107 1.543 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.058 10.240 0.183 1.00 0.00 C ATOM 1451 C LYS A 96 -6.456 11.507 -0.431 1.00 0.00 C ATOM 1452 O LYS A 96 -6.033 11.487 -1.579 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.591 10.253 0.165 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.112 10.202 -1.278 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.634 10.034 -1.307 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.112 9.925 -2.758 1.00 0.00 C ATOM 1457 NZ LYS A 96 -12.574 9.769 -2.835 1.00 0.00 N ATOM 0 H LYS A 96 -7.293 10.082 2.258 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.750 9.385 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.974 9.401 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.959 11.152 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.834 11.117 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.641 9.375 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.922 9.142 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.113 10.883 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.811 10.816 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.629 9.074 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.855 9.613 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.867 8.954 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.034 10.630 -2.476 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.386 12.597 0.341 1.00 0.00 N ATOM 1472 CA GLY A 97 -5.795 13.848 -0.105 1.00 0.00 C ATOM 1473 C GLY A 97 -4.349 13.642 -0.558 1.00 0.00 C ATOM 1474 O GLY A 97 -3.996 13.965 -1.693 1.00 0.00 O ATOM 0 H GLY A 97 -6.742 12.629 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.382 14.259 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.826 14.577 0.704 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.504 13.086 0.317 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.110 12.838 -0.023 1.00 0.00 C ATOM 1480 C GLN A 98 -2.017 11.950 -1.267 1.00 0.00 C ATOM 1481 O GLN A 98 -1.228 12.238 -2.167 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.362 12.233 1.172 1.00 0.00 C ATOM 1483 CG GLN A 98 -0.748 13.296 2.099 1.00 0.00 C ATOM 1484 CD GLN A 98 -1.772 14.238 2.724 1.00 0.00 C ATOM 1485 OE1 GLN A 98 -2.282 13.980 3.811 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -2.092 15.343 2.056 1.00 0.00 N ATOM 0 H GLN A 98 -3.765 12.802 1.261 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.627 13.786 -0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.049 11.611 1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.571 11.579 0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.197 12.795 2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.026 13.884 1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.656 15.538 1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.773 15.995 2.445 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.820 10.884 -1.333 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.809 9.997 -2.486 1.00 0.00 C ATOM 1497 C LEU A 99 -3.176 10.768 -3.760 1.00 0.00 C ATOM 1498 O LEU A 99 -2.439 10.710 -4.740 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.719 8.787 -2.232 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.751 7.760 -3.377 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.370 7.201 -3.744 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.637 6.587 -2.951 1.00 0.00 C ATOM 0 H LEU A 99 -3.481 10.620 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.802 9.608 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.390 8.286 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.733 9.143 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.134 8.279 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.472 6.484 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.719 8.017 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.936 6.705 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.672 5.848 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.226 6.129 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.645 6.948 -2.746 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.284 11.512 -3.747 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.726 12.325 -4.876 1.00 0.00 C ATOM 1516 C LYS A 100 -3.589 13.232 -5.347 1.00 0.00 C ATOM 1517 O LYS A 100 -3.276 13.262 -6.536 1.00 0.00 O ATOM 1518 CB LYS A 100 -5.953 13.166 -4.483 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.239 12.340 -4.321 1.00 0.00 C ATOM 1520 CD LYS A 100 -7.915 11.993 -5.654 1.00 0.00 C ATOM 1521 CE LYS A 100 -8.622 13.189 -6.302 1.00 0.00 C ATOM 1522 NZ LYS A 100 -9.282 12.796 -7.558 1.00 0.00 N ATOM 0 H LYS A 100 -4.906 11.566 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.009 11.663 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.743 13.684 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.116 13.932 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.004 11.417 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.942 12.895 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.166 11.605 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.640 11.196 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.360 13.597 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.899 13.980 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.666 13.641 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.591 12.336 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.056 12.133 -7.351 1.00 0.00 H new ATOM 1536 N GLU A 101 -2.962 13.960 -4.416 1.00 0.00 N ATOM 1537 CA GLU A 101 -1.864 14.859 -4.746 1.00 0.00 C ATOM 1538 C GLU A 101 -0.705 14.085 -5.382 1.00 0.00 C ATOM 1539 O GLU A 101 -0.223 14.457 -6.448 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.408 15.629 -3.499 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.471 16.622 -3.003 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.720 17.749 -4.001 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.821 18.610 -4.117 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.797 17.722 -4.635 1.00 0.00 O ATOM 0 H GLU A 101 -3.202 13.940 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.216 15.587 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.176 14.921 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.488 16.168 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.404 16.090 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.153 17.046 -2.051 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.266 13.008 -4.728 1.00 0.00 N ATOM 1552 CA PHE A 102 0.815 12.150 -5.201 1.00 0.00 C ATOM 1553 C PHE A 102 0.553 11.699 -6.642 1.00 0.00 C ATOM 1554 O PHE A 102 1.390 11.880 -7.529 1.00 0.00 O ATOM 1555 CB PHE A 102 0.945 10.963 -4.237 1.00 0.00 C ATOM 1556 CG PHE A 102 1.924 9.880 -4.647 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.295 10.016 -4.359 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.443 8.674 -5.196 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.166 8.928 -4.548 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.315 7.591 -5.390 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.668 7.706 -5.033 1.00 0.00 C ATOM 0 H PHE A 102 -0.661 12.704 -3.838 1.00 0.00 H new ATOM 0 HA PHE A 102 1.758 12.697 -5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.243 11.344 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.039 10.509 -4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.679 10.957 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.402 8.583 -5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.217 9.031 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.945 6.669 -5.814 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.326 6.855 -5.131 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.624 11.118 -6.880 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.016 10.640 -8.195 1.00 0.00 C ATOM 1573 C LEU A 103 -1.033 11.789 -9.197 1.00 0.00 C ATOM 1574 O LEU A 103 -0.397 11.698 -10.244 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.386 9.956 -8.125 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.377 8.682 -7.267 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.809 8.171 -7.124 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.468 7.597 -7.848 1.00 0.00 C ATOM 0 H LEU A 103 -1.330 10.968 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.284 9.907 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.115 10.656 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.713 9.706 -9.134 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.971 8.931 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.813 7.266 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.421 8.934 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.216 7.948 -8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.496 6.717 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.814 7.329 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.446 7.971 -7.906 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.748 12.872 -8.882 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.853 14.035 -9.752 1.00 0.00 C ATOM 1592 C ASP A 104 -0.471 14.542 -10.164 1.00 0.00 C ATOM 1593 O ASP A 104 -0.204 14.718 -11.350 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.659 15.139 -9.060 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.788 16.360 -9.962 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.694 16.329 -10.825 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -1.976 17.292 -9.781 1.00 0.00 O ATOM 0 H ASP A 104 -2.271 12.962 -8.011 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.378 13.739 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.650 14.765 -8.802 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.172 15.421 -8.126 1.00 0.00 H new ATOM 1602 N ALA A 105 0.409 14.757 -9.183 1.00 0.00 N ATOM 1603 CA ALA A 105 1.766 15.232 -9.409 1.00 0.00 C ATOM 1604 C ALA A 105 2.526 14.332 -10.385 1.00 0.00 C ATOM 1605 O ALA A 105 3.294 14.821 -11.208 1.00 0.00 O ATOM 1606 CB ALA A 105 2.503 15.326 -8.068 1.00 0.00 C ATOM 0 H ALA A 105 0.191 14.602 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 105 1.714 16.221 -9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.520 15.682 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.979 16.022 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.535 14.342 -7.601 1.00 0.00 H new ATOM 1612 N ASN A 106 2.309 13.015 -10.304 1.00 0.00 N ATOM 1613 CA ASN A 106 2.999 12.064 -11.168 1.00 0.00 C ATOM 1614 C ASN A 106 2.369 12.038 -12.555 1.00 0.00 C ATOM 1615 O ASN A 106 3.085 12.029 -13.553 1.00 0.00 O ATOM 1616 CB ASN A 106 2.943 10.662 -10.557 1.00 0.00 C ATOM 1617 CG ASN A 106 4.072 10.434 -9.565 1.00 0.00 C ATOM 1618 OD1 ASN A 106 5.107 9.886 -9.926 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.882 10.834 -8.312 1.00 0.00 N ATOM 0 H ASN A 106 1.658 12.587 -9.645 1.00 0.00 H new ATOM 0 HA ASN A 106 4.038 12.380 -11.260 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.985 10.522 -10.056 1.00 0.00 H new ATOM 0 HB3 ASN A 106 3.000 9.917 -11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.611 10.688 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.007 11.287 -8.048 1.00 0.00 H new ATOM 1626 N LEU A 107 1.037 12.024 -12.635 1.00 0.00 N ATOM 1627 CA LEU A 107 0.327 12.027 -13.904 1.00 0.00 C ATOM 1628 C LEU A 107 0.706 13.289 -14.683 1.00 0.00 C ATOM 1629 O LEU A 107 1.052 13.217 -15.859 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.182 11.945 -13.644 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.622 10.554 -13.151 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.005 10.655 -12.501 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.684 9.543 -14.304 1.00 0.00 C ATOM 0 H LEU A 107 0.425 12.010 -11.819 1.00 0.00 H new ATOM 0 HA LEU A 107 0.606 11.161 -14.504 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.461 12.694 -12.903 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.719 12.188 -14.561 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.886 10.206 -12.427 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.316 9.670 -12.152 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.961 11.342 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.724 11.025 -13.232 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.998 8.572 -13.920 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.400 9.886 -15.051 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.699 9.451 -14.761 1.00 0.00 H new ATOM 1645 N ALA A 108 0.676 14.444 -14.013 1.00 0.00 N ATOM 1646 CA ALA A 108 1.063 15.716 -14.601 1.00 0.00 C ATOM 1647 C ALA A 108 2.527 15.656 -15.038 1.00 0.00 C ATOM 1648 O ALA A 108 3.000 16.538 -15.753 1.00 0.00 O ATOM 1649 CB ALA A 108 0.838 16.838 -13.586 1.00 0.00 C ATOM 0 H ALA A 108 0.379 14.516 -13.040 1.00 0.00 H new ATOM 0 HA ALA A 108 0.451 15.919 -15.480 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.128 17.791 -14.027 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.216 16.872 -13.309 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.441 16.651 -12.697 1.00 0.00 H new