USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 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 -154:sc= 1.75 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.61 K(o=3.4,f=-1.8) USER MOD Set 2.1: A 32 CYS SG : rot 179:sc= 0.491 USER MOD Set 2.2: A 35 CYS SG : rot 72:sc= -0.186 USER MOD Set 3.1: A 8 THR OG1 : rot -37:sc= 1.2 USER MOD Set 3.2: A 11 SER OG : rot 20:sc= 3.02 USER MOD Single : A 6 HIS : no HD1:sc=-0.00788 X(o=-0.0079,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.104) USER MOD Single : A 36 LYS NZ :NH3+ -123:sc=-0.00566 (180deg=-0.861) USER MOD Single : A 37 MET CE :methyl -176:sc= 0 (180deg=-0.0171) USER MOD Single : A 49 TYR OH : rot 110:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0984) USER MOD Single : A 54 THR OG1 : rot 77:sc= 0.854 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0.987 (180deg=0.969) USER MOD Single : A 59 ASN : amide:sc= 1.04 K(o=1,f=-9.8!) USER MOD Single : A 62 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.026) USER MOD Single : A 63 ASN : amide:sc= 1.63 K(o=1.6,f=-5.8!) USER MOD Single : A 66 THR OG1 : rot 71:sc= 1.14 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= 0.858 (180deg=0.682) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0674 USER MOD Single : A 77 THR OG1 : rot -60:sc= 1.15 USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.04) USER MOD Single : A 83 ASN : amide:sc=-0.00189 K(o=-0.0019,f=-1.7) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 1.51 (180deg=1.51) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 0.373 (180deg=0.356) USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 0.686 (180deg=0.685) USER MOD Single : A 106 ASN : amide:sc= 0.686 K(o=0.69,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.445 -2.992 -9.299 1.00 0.00 N ATOM 47 CA ILE A 4 -8.001 -2.957 -9.174 1.00 0.00 C ATOM 48 C ILE A 4 -7.393 -4.143 -9.917 1.00 0.00 C ATOM 49 O ILE A 4 -7.991 -5.216 -9.970 1.00 0.00 O ATOM 50 CB ILE A 4 -7.635 -2.955 -7.677 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.150 -1.658 -7.021 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.127 -3.123 -7.458 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.717 -1.480 -5.563 1.00 0.00 C ATOM 0 HA ILE A 4 -7.594 -2.052 -9.625 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.118 -3.810 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.796 -0.805 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.239 -1.647 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.912 -3.116 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.800 -4.070 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.596 -2.303 -7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.120 -0.544 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.094 -2.312 -4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.629 -1.457 -5.507 1.00 0.00 H new ATOM 65 N ILE A 5 -6.194 -3.958 -10.476 1.00 0.00 N ATOM 66 CA ILE A 5 -5.477 -5.020 -11.171 1.00 0.00 C ATOM 67 C ILE A 5 -4.637 -5.796 -10.147 1.00 0.00 C ATOM 68 O ILE A 5 -3.601 -5.308 -9.696 1.00 0.00 O ATOM 69 CB ILE A 5 -4.618 -4.432 -12.307 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.422 -3.526 -13.260 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.914 -5.549 -13.091 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.651 -4.189 -13.890 1.00 0.00 C ATOM 0 H ILE A 5 -5.697 -3.067 -10.457 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.179 -5.712 -11.636 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.866 -3.801 -11.833 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.745 -2.641 -12.712 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.762 -3.184 -14.057 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.313 -5.111 -13.888 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.268 -6.114 -12.419 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.660 -6.216 -13.524 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.153 -3.477 -14.544 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.339 -5.057 -14.470 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.337 -4.506 -13.104 1.00 0.00 H new ATOM 84 N HIS A 6 -5.073 -7.000 -9.767 1.00 0.00 N ATOM 85 CA HIS A 6 -4.335 -7.838 -8.826 1.00 0.00 C ATOM 86 C HIS A 6 -3.208 -8.557 -9.572 1.00 0.00 C ATOM 87 O HIS A 6 -3.424 -9.607 -10.171 1.00 0.00 O ATOM 88 CB HIS A 6 -5.273 -8.804 -8.095 1.00 0.00 C ATOM 89 CG HIS A 6 -6.047 -8.112 -6.998 1.00 0.00 C ATOM 90 ND1 HIS A 6 -5.845 -8.263 -5.638 1.00 0.00 N ATOM 91 CD2 HIS A 6 -6.992 -7.143 -7.179 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.669 -7.406 -5.006 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.374 -6.717 -5.923 1.00 0.00 N ATOM 0 H HIS A 6 -5.942 -7.417 -10.102 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.884 -7.216 -8.053 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.969 -9.245 -8.809 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.692 -9.622 -7.669 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.368 -6.780 -8.124 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.751 -7.290 -3.935 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.073 -6.001 -5.723 1.00 0.00 H new ATOM 102 N LEU A 7 -2.006 -7.980 -9.537 1.00 0.00 N ATOM 103 CA LEU A 7 -0.818 -8.496 -10.196 1.00 0.00 C ATOM 104 C LEU A 7 -0.179 -9.635 -9.408 1.00 0.00 C ATOM 105 O LEU A 7 -0.384 -9.788 -8.202 1.00 0.00 O ATOM 106 CB LEU A 7 0.234 -7.381 -10.293 1.00 0.00 C ATOM 107 CG LEU A 7 -0.177 -6.185 -11.154 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.750 -5.016 -10.822 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.098 -6.510 -12.645 1.00 0.00 C ATOM 0 H LEU A 7 -1.833 -7.112 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.128 -8.857 -11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.461 -7.026 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.154 -7.803 -10.697 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.213 -5.928 -10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.475 -4.151 -11.425 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.656 -4.766 -9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.781 -5.296 -11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.397 -5.636 -13.224 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.925 -6.784 -12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.765 -7.342 -12.872 1.00 0.00 H new ATOM 121 N THR A 8 0.670 -10.380 -10.113 1.00 0.00 N ATOM 122 CA THR A 8 1.526 -11.428 -9.597 1.00 0.00 C ATOM 123 C THR A 8 2.912 -11.203 -10.212 1.00 0.00 C ATOM 124 O THR A 8 3.035 -10.502 -11.223 1.00 0.00 O ATOM 125 CB THR A 8 0.968 -12.813 -9.957 1.00 0.00 C ATOM 126 OG1 THR A 8 1.102 -13.050 -11.347 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.503 -12.969 -9.555 1.00 0.00 C ATOM 0 H THR A 8 0.780 -10.255 -11.119 1.00 0.00 H new ATOM 0 HA THR A 8 1.581 -11.394 -8.509 1.00 0.00 H new ATOM 0 HB THR A 8 1.549 -13.545 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.934 -12.219 -11.838 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.852 -13.964 -9.830 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.602 -12.835 -8.478 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.103 -12.219 -10.071 1.00 0.00 H new ATOM 135 N ASP A 9 3.949 -11.805 -9.628 1.00 0.00 N ATOM 136 CA ASP A 9 5.321 -11.696 -10.105 1.00 0.00 C ATOM 137 C ASP A 9 5.404 -12.092 -11.580 1.00 0.00 C ATOM 138 O ASP A 9 5.984 -11.373 -12.391 1.00 0.00 O ATOM 139 CB ASP A 9 6.224 -12.576 -9.233 1.00 0.00 C ATOM 140 CG ASP A 9 7.689 -12.455 -9.636 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.080 -13.169 -10.584 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.401 -11.656 -8.989 1.00 0.00 O ATOM 0 H ASP A 9 3.854 -12.390 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 9 5.661 -10.663 -10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.110 -12.291 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.908 -13.616 -9.316 1.00 0.00 H new ATOM 147 N ASP A 10 4.788 -13.229 -11.920 1.00 0.00 N ATOM 148 CA ASP A 10 4.750 -13.759 -13.276 1.00 0.00 C ATOM 149 C ASP A 10 4.164 -12.748 -14.264 1.00 0.00 C ATOM 150 O ASP A 10 4.699 -12.557 -15.354 1.00 0.00 O ATOM 151 CB ASP A 10 3.933 -15.055 -13.286 1.00 0.00 C ATOM 152 CG ASP A 10 3.798 -15.613 -14.699 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.756 -16.288 -15.136 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.740 -15.355 -15.312 1.00 0.00 O ATOM 0 H ASP A 10 4.295 -13.813 -11.244 1.00 0.00 H new ATOM 0 HA ASP A 10 5.772 -13.964 -13.596 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.412 -15.795 -12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.943 -14.867 -12.871 1.00 0.00 H new ATOM 159 N SER A 11 3.060 -12.100 -13.889 1.00 0.00 N ATOM 160 CA SER A 11 2.373 -11.167 -14.770 1.00 0.00 C ATOM 161 C SER A 11 3.081 -9.812 -14.823 1.00 0.00 C ATOM 162 O SER A 11 2.978 -9.104 -15.823 1.00 0.00 O ATOM 163 CB SER A 11 0.935 -10.998 -14.263 1.00 0.00 C ATOM 164 OG SER A 11 0.931 -10.807 -12.858 1.00 0.00 O ATOM 0 H SER A 11 2.624 -12.209 -12.974 1.00 0.00 H new ATOM 0 HA SER A 11 2.376 -11.566 -15.784 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.466 -10.146 -14.755 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.345 -11.878 -14.519 1.00 0.00 H new ATOM 0 HG SER A 11 1.817 -10.508 -12.566 1.00 0.00 H new ATOM 170 N PHE A 12 3.773 -9.445 -13.741 1.00 0.00 N ATOM 171 CA PHE A 12 4.464 -8.174 -13.563 1.00 0.00 C ATOM 172 C PHE A 12 5.165 -7.667 -14.827 1.00 0.00 C ATOM 173 O PHE A 12 5.001 -6.511 -15.218 1.00 0.00 O ATOM 174 CB PHE A 12 5.460 -8.309 -12.407 1.00 0.00 C ATOM 175 CG PHE A 12 5.862 -6.983 -11.811 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.895 -6.226 -12.391 1.00 0.00 C ATOM 177 CD2 PHE A 12 5.137 -6.467 -10.723 1.00 0.00 C ATOM 178 CE1 PHE A 12 7.204 -4.957 -11.874 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.519 -5.249 -10.143 1.00 0.00 C ATOM 180 CZ PHE A 12 6.555 -4.495 -10.720 1.00 0.00 C ATOM 0 H PHE A 12 3.868 -10.057 -12.931 1.00 0.00 H new ATOM 0 HA PHE A 12 3.708 -7.423 -13.333 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.020 -8.932 -11.628 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.352 -8.825 -12.763 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.449 -6.619 -13.231 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.287 -7.008 -10.334 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.940 -4.338 -12.365 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.018 -4.891 -9.255 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.852 -3.558 -10.274 1.00 0.00 H new ATOM 190 N ASP A 13 5.956 -8.527 -15.472 1.00 0.00 N ATOM 191 CA ASP A 13 6.671 -8.165 -16.688 1.00 0.00 C ATOM 192 C ASP A 13 5.725 -7.536 -17.714 1.00 0.00 C ATOM 193 O ASP A 13 5.872 -6.379 -18.103 1.00 0.00 O ATOM 194 CB ASP A 13 7.355 -9.409 -17.272 1.00 0.00 C ATOM 195 CG ASP A 13 7.853 -9.153 -18.692 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.918 -8.512 -18.813 1.00 0.00 O ATOM 197 OD2 ASP A 13 7.140 -9.577 -19.629 1.00 0.00 O ATOM 0 H ASP A 13 6.115 -9.487 -15.165 1.00 0.00 H new ATOM 0 HA ASP A 13 7.430 -7.423 -16.441 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.193 -9.698 -16.637 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.655 -10.244 -17.275 1.00 0.00 H new ATOM 202 N THR A 14 4.763 -8.322 -18.178 1.00 0.00 N ATOM 203 CA THR A 14 3.852 -7.899 -19.219 1.00 0.00 C ATOM 204 C THR A 14 2.909 -6.796 -18.736 1.00 0.00 C ATOM 205 O THR A 14 2.696 -5.806 -19.431 1.00 0.00 O ATOM 206 CB THR A 14 3.100 -9.140 -19.715 1.00 0.00 C ATOM 207 OG1 THR A 14 3.996 -10.239 -19.744 1.00 0.00 O ATOM 208 CG2 THR A 14 2.517 -8.924 -21.114 1.00 0.00 C ATOM 0 H THR A 14 4.597 -9.270 -17.840 1.00 0.00 H new ATOM 0 HA THR A 14 4.407 -7.457 -20.047 1.00 0.00 H new ATOM 0 HB THR A 14 2.272 -9.336 -19.033 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.524 -11.038 -20.059 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.991 -9.824 -21.432 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.821 -8.086 -21.093 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.323 -8.708 -21.815 1.00 0.00 H new ATOM 216 N ASP A 15 2.318 -6.987 -17.556 1.00 0.00 N ATOM 217 CA ASP A 15 1.308 -6.087 -17.027 1.00 0.00 C ATOM 218 C ASP A 15 1.850 -4.769 -16.480 1.00 0.00 C ATOM 219 O ASP A 15 1.079 -3.818 -16.397 1.00 0.00 O ATOM 220 CB ASP A 15 0.456 -6.810 -15.979 1.00 0.00 C ATOM 221 CG ASP A 15 -0.413 -7.905 -16.590 1.00 0.00 C ATOM 222 OD1 ASP A 15 0.167 -8.939 -16.989 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.643 -7.694 -16.640 1.00 0.00 O ATOM 0 H ASP A 15 2.531 -7.774 -16.943 1.00 0.00 H new ATOM 0 HA ASP A 15 0.689 -5.801 -17.877 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.108 -7.247 -15.223 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.181 -6.086 -15.470 1.00 0.00 H new ATOM 228 N VAL A 16 3.125 -4.697 -16.083 1.00 0.00 N ATOM 229 CA VAL A 16 3.721 -3.472 -15.553 1.00 0.00 C ATOM 230 C VAL A 16 4.869 -3.021 -16.446 1.00 0.00 C ATOM 231 O VAL A 16 4.815 -1.939 -17.029 1.00 0.00 O ATOM 232 CB VAL A 16 4.180 -3.646 -14.092 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.690 -2.316 -13.516 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.037 -4.150 -13.207 1.00 0.00 C ATOM 0 H VAL A 16 3.770 -5.487 -16.121 1.00 0.00 H new ATOM 0 HA VAL A 16 2.957 -2.695 -15.552 1.00 0.00 H new ATOM 0 HB VAL A 16 4.986 -4.380 -14.098 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.008 -2.465 -12.484 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.534 -1.963 -14.109 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.890 -1.576 -13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.392 -4.263 -12.183 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.216 -3.433 -13.230 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.688 -5.114 -13.578 1.00 0.00 H new ATOM 244 N LEU A 17 5.925 -3.829 -16.554 1.00 0.00 N ATOM 245 CA LEU A 17 7.112 -3.416 -17.294 1.00 0.00 C ATOM 246 C LEU A 17 6.815 -3.115 -18.762 1.00 0.00 C ATOM 247 O LEU A 17 7.374 -2.166 -19.306 1.00 0.00 O ATOM 248 CB LEU A 17 8.278 -4.390 -17.091 1.00 0.00 C ATOM 249 CG LEU A 17 8.622 -4.582 -15.604 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.786 -5.565 -15.467 1.00 0.00 C ATOM 251 CD2 LEU A 17 9.004 -3.256 -14.926 1.00 0.00 C ATOM 0 H LEU A 17 5.981 -4.761 -16.143 1.00 0.00 H new ATOM 0 HA LEU A 17 7.438 -2.466 -16.871 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.024 -5.354 -17.531 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.156 -4.019 -17.620 1.00 0.00 H new ATOM 0 HG LEU A 17 7.732 -4.972 -15.110 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.027 -5.699 -14.412 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.504 -6.525 -15.899 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.657 -5.173 -15.991 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.239 -3.438 -13.877 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.875 -2.830 -15.424 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.169 -2.558 -14.995 1.00 0.00 H new ATOM 263 N LYS A 18 5.928 -3.880 -19.405 1.00 0.00 N ATOM 264 CA LYS A 18 5.564 -3.613 -20.795 1.00 0.00 C ATOM 265 C LYS A 18 4.315 -2.724 -20.898 1.00 0.00 C ATOM 266 O LYS A 18 3.761 -2.580 -21.988 1.00 0.00 O ATOM 267 CB LYS A 18 5.418 -4.928 -21.569 1.00 0.00 C ATOM 268 CG LYS A 18 6.745 -5.696 -21.575 1.00 0.00 C ATOM 269 CD LYS A 18 6.632 -6.980 -22.407 1.00 0.00 C ATOM 270 CE LYS A 18 7.959 -7.748 -22.445 1.00 0.00 C ATOM 271 NZ LYS A 18 9.012 -6.999 -23.153 1.00 0.00 N ATOM 0 H LYS A 18 5.454 -4.681 -18.988 1.00 0.00 H new ATOM 0 HA LYS A 18 6.371 -3.047 -21.259 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.639 -5.540 -21.115 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.105 -4.722 -22.593 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.534 -5.063 -21.981 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.030 -5.944 -20.553 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.854 -7.618 -21.988 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.327 -6.730 -23.423 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.286 -7.957 -21.426 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.807 -8.710 -22.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.835 -7.616 -23.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.649 -6.675 -24.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.296 -6.177 -22.583 1.00 0.00 H new ATOM 285 N ALA A 19 3.864 -2.104 -19.799 1.00 0.00 N ATOM 286 CA ALA A 19 2.689 -1.247 -19.831 1.00 0.00 C ATOM 287 C ALA A 19 3.069 0.183 -20.200 1.00 0.00 C ATOM 288 O ALA A 19 3.549 0.940 -19.355 1.00 0.00 O ATOM 289 CB ALA A 19 1.965 -1.276 -18.489 1.00 0.00 C ATOM 0 H ALA A 19 4.301 -2.185 -18.881 1.00 0.00 H new ATOM 0 HA ALA A 19 2.014 -1.629 -20.596 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.089 -0.629 -18.534 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.651 -2.296 -18.267 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.636 -0.924 -17.706 1.00 0.00 H new ATOM 295 N ASP A 20 2.820 0.572 -21.453 1.00 0.00 N ATOM 296 CA ASP A 20 3.068 1.924 -21.937 1.00 0.00 C ATOM 297 C ASP A 20 1.977 2.870 -21.424 1.00 0.00 C ATOM 298 O ASP A 20 1.170 3.386 -22.194 1.00 0.00 O ATOM 299 CB ASP A 20 3.162 1.913 -23.464 1.00 0.00 C ATOM 300 CG ASP A 20 3.527 3.285 -24.028 1.00 0.00 C ATOM 301 OD1 ASP A 20 4.504 3.871 -23.511 1.00 0.00 O ATOM 302 OD2 ASP A 20 2.842 3.714 -24.981 1.00 0.00 O ATOM 0 H ASP A 20 2.437 -0.052 -22.163 1.00 0.00 H new ATOM 0 HA ASP A 20 4.019 2.292 -21.553 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.909 1.183 -23.775 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.209 1.591 -23.883 1.00 0.00 H new ATOM 307 N GLY A 21 1.938 3.067 -20.108 1.00 0.00 N ATOM 308 CA GLY A 21 0.968 3.917 -19.437 1.00 0.00 C ATOM 309 C GLY A 21 1.303 4.037 -17.952 1.00 0.00 C ATOM 310 O GLY A 21 2.338 3.536 -17.512 1.00 0.00 O ATOM 0 H GLY A 21 2.598 2.627 -19.467 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.962 4.906 -19.896 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.033 3.503 -19.558 1.00 0.00 H new ATOM 314 N ALA A 22 0.431 4.710 -17.190 1.00 0.00 N ATOM 315 CA ALA A 22 0.569 4.942 -15.759 1.00 0.00 C ATOM 316 C ALA A 22 -0.124 3.840 -14.954 1.00 0.00 C ATOM 317 O ALA A 22 -1.324 3.599 -15.131 1.00 0.00 O ATOM 318 CB ALA A 22 -0.016 6.313 -15.410 1.00 0.00 C ATOM 0 H ALA A 22 -0.420 5.121 -17.575 1.00 0.00 H new ATOM 0 HA ALA A 22 1.627 4.924 -15.499 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.086 6.490 -14.339 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.520 7.088 -15.958 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.071 6.339 -15.684 1.00 0.00 H new ATOM 324 N ILE A 23 0.624 3.186 -14.059 1.00 0.00 N ATOM 325 CA ILE A 23 0.142 2.130 -13.192 1.00 0.00 C ATOM 326 C ILE A 23 0.621 2.373 -11.758 1.00 0.00 C ATOM 327 O ILE A 23 1.824 2.443 -11.515 1.00 0.00 O ATOM 328 CB ILE A 23 0.603 0.754 -13.712 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.302 0.569 -15.215 1.00 0.00 C ATOM 330 CG2 ILE A 23 0.041 -0.367 -12.827 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.150 -0.894 -15.634 1.00 0.00 C ATOM 0 H ILE A 23 1.614 3.392 -13.921 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.948 2.136 -13.193 1.00 0.00 H new ATOM 0 HB ILE A 23 1.689 0.700 -13.637 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.614 1.106 -15.462 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.105 1.023 -15.796 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.375 -1.333 -13.207 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.396 -0.236 -11.805 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.048 -0.329 -12.840 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.060 -0.947 -16.702 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.073 -1.432 -15.419 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.672 -1.348 -15.080 1.00 0.00 H new ATOM 343 N LEU A 24 -0.307 2.439 -10.799 1.00 0.00 N ATOM 344 CA LEU A 24 0.021 2.545 -9.383 1.00 0.00 C ATOM 345 C LEU A 24 0.027 1.122 -8.860 1.00 0.00 C ATOM 346 O LEU A 24 -1.034 0.515 -8.753 1.00 0.00 O ATOM 347 CB LEU A 24 -1.006 3.419 -8.653 1.00 0.00 C ATOM 348 CG LEU A 24 -0.727 3.657 -7.155 1.00 0.00 C ATOM 349 CD1 LEU A 24 -0.884 2.437 -6.247 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.626 4.336 -6.917 1.00 0.00 C ATOM 0 H LEU A 24 -1.309 2.420 -10.988 1.00 0.00 H new ATOM 0 HA LEU A 24 0.987 3.023 -9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.056 4.386 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.988 2.957 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.526 4.336 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.664 2.719 -5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.907 2.065 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.193 1.656 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.777 4.482 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.423 3.707 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.642 5.302 -7.421 1.00 0.00 H new ATOM 362 N VAL A 25 1.205 0.587 -8.551 1.00 0.00 N ATOM 363 CA VAL A 25 1.358 -0.778 -8.071 1.00 0.00 C ATOM 364 C VAL A 25 1.504 -0.768 -6.554 1.00 0.00 C ATOM 365 O VAL A 25 2.552 -0.388 -6.032 1.00 0.00 O ATOM 366 CB VAL A 25 2.550 -1.467 -8.751 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.619 -2.922 -8.277 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.416 -1.450 -10.279 1.00 0.00 C ATOM 0 H VAL A 25 2.086 1.095 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 25 0.469 -1.353 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 25 3.456 -0.925 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.463 -3.421 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.748 -2.946 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.696 -3.436 -8.544 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.278 -1.946 -10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.505 -1.973 -10.570 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.370 -0.419 -10.629 1.00 0.00 H new ATOM 378 N ASP A 26 0.461 -1.206 -5.849 1.00 0.00 N ATOM 379 CA ASP A 26 0.452 -1.299 -4.401 1.00 0.00 C ATOM 380 C ASP A 26 0.921 -2.694 -3.998 1.00 0.00 C ATOM 381 O ASP A 26 0.136 -3.636 -4.041 1.00 0.00 O ATOM 382 CB ASP A 26 -0.958 -1.013 -3.863 1.00 0.00 C ATOM 383 CG ASP A 26 -1.095 -1.410 -2.399 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.153 -1.852 -1.965 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.008 -1.275 -1.596 1.00 0.00 O ATOM 0 H ASP A 26 -0.412 -1.509 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 26 1.127 -0.558 -3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.181 0.048 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.692 -1.557 -4.458 1.00 0.00 H new ATOM 391 N PHE A 27 2.167 -2.824 -3.551 1.00 0.00 N ATOM 392 CA PHE A 27 2.683 -4.082 -3.039 1.00 0.00 C ATOM 393 C PHE A 27 2.109 -4.162 -1.627 1.00 0.00 C ATOM 394 O PHE A 27 2.324 -3.234 -0.848 1.00 0.00 O ATOM 395 CB PHE A 27 4.218 -4.088 -3.007 1.00 0.00 C ATOM 396 CG PHE A 27 4.929 -4.157 -4.351 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.785 -3.120 -5.293 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.852 -5.191 -4.605 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.507 -3.147 -6.498 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.614 -5.186 -5.789 1.00 0.00 C ATOM 401 CZ PHE A 27 6.433 -4.174 -6.741 1.00 0.00 C ATOM 0 H PHE A 27 2.843 -2.060 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 27 2.401 -4.931 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.551 -3.187 -2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.543 -4.938 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.115 -2.298 -5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.975 -5.990 -3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.349 -2.377 -7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.341 -5.965 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.003 -4.184 -7.658 1.00 0.00 H new ATOM 411 N TRP A 28 1.342 -5.212 -1.317 1.00 0.00 N ATOM 412 CA TRP A 28 0.641 -5.352 -0.047 1.00 0.00 C ATOM 413 C TRP A 28 0.742 -6.762 0.527 1.00 0.00 C ATOM 414 O TRP A 28 1.138 -7.693 -0.171 1.00 0.00 O ATOM 415 CB TRP A 28 -0.832 -4.983 -0.246 1.00 0.00 C ATOM 416 CG TRP A 28 -1.671 -5.942 -1.032 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.649 -6.078 -2.371 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.678 -6.884 -0.557 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.535 -7.058 -2.762 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.210 -7.583 -1.682 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.216 -7.207 0.707 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.207 -8.562 -1.561 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.244 -8.162 0.834 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.720 -8.856 -0.289 1.00 0.00 C ATOM 0 H TRP A 28 1.192 -5.996 -1.952 1.00 0.00 H new ATOM 0 HA TRP A 28 1.115 -4.680 0.668 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.287 -4.861 0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.875 -4.012 -0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.027 -5.503 -3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.673 -7.357 -3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.834 -6.715 1.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.574 -9.082 -2.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.670 -8.362 1.806 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.480 -9.615 -0.174 1.00 0.00 H new ATOM 435 N ALA A 29 0.336 -6.920 1.790 1.00 0.00 N ATOM 436 CA ALA A 29 0.290 -8.189 2.493 1.00 0.00 C ATOM 437 C ALA A 29 -0.968 -8.206 3.360 1.00 0.00 C ATOM 438 O ALA A 29 -1.321 -7.182 3.942 1.00 0.00 O ATOM 439 CB ALA A 29 1.538 -8.356 3.354 1.00 0.00 C ATOM 0 H ALA A 29 0.021 -6.137 2.363 1.00 0.00 H new ATOM 0 HA ALA A 29 0.261 -9.015 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.494 -9.311 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.424 -8.330 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.589 -7.546 4.081 1.00 0.00 H new ATOM 445 N GLU A 30 -1.645 -9.354 3.431 1.00 0.00 N ATOM 446 CA GLU A 30 -2.906 -9.502 4.151 1.00 0.00 C ATOM 447 C GLU A 30 -2.800 -9.082 5.622 1.00 0.00 C ATOM 448 O GLU A 30 -3.617 -8.310 6.117 1.00 0.00 O ATOM 449 CB GLU A 30 -3.400 -10.950 3.998 1.00 0.00 C ATOM 450 CG GLU A 30 -4.865 -11.130 4.424 1.00 0.00 C ATOM 451 CD GLU A 30 -5.830 -10.423 3.475 1.00 0.00 C ATOM 452 OE1 GLU A 30 -5.909 -10.874 2.312 1.00 0.00 O ATOM 453 OE2 GLU A 30 -6.459 -9.439 3.923 1.00 0.00 O ATOM 0 H GLU A 30 -1.328 -10.214 2.985 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.638 -8.824 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.289 -11.259 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.770 -11.609 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.104 -12.193 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.999 -10.741 5.433 1.00 0.00 H new ATOM 460 N TRP A 31 -1.797 -9.615 6.320 1.00 0.00 N ATOM 461 CA TRP A 31 -1.570 -9.359 7.739 1.00 0.00 C ATOM 462 C TRP A 31 -1.338 -7.875 8.046 1.00 0.00 C ATOM 463 O TRP A 31 -1.665 -7.408 9.136 1.00 0.00 O ATOM 464 CB TRP A 31 -0.406 -10.232 8.234 1.00 0.00 C ATOM 465 CG TRP A 31 0.812 -10.268 7.359 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.043 -11.183 6.391 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.957 -9.359 7.328 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.216 -10.880 5.737 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.827 -9.766 6.272 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.341 -8.219 8.068 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.999 -9.067 5.948 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.534 -7.530 7.775 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.361 -7.949 6.716 1.00 0.00 C ATOM 0 H TRP A 31 -1.110 -10.246 5.907 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.477 -9.629 8.280 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.108 -9.879 9.221 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.770 -11.252 8.357 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.404 -12.024 6.165 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.588 -11.415 4.952 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.710 -7.870 8.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.614 -9.384 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.817 -6.673 8.368 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.272 -7.412 6.495 1.00 0.00 H new ATOM 484 N CYS A 32 -0.777 -7.114 7.102 1.00 0.00 N ATOM 485 CA CYS A 32 -0.501 -5.704 7.329 1.00 0.00 C ATOM 486 C CYS A 32 -1.772 -4.876 7.158 1.00 0.00 C ATOM 487 O CYS A 32 -1.985 -4.259 6.117 1.00 0.00 O ATOM 488 CB CYS A 32 0.632 -5.235 6.422 1.00 0.00 C ATOM 489 SG CYS A 32 0.935 -3.472 6.715 1.00 0.00 S ATOM 0 H CYS A 32 -0.508 -7.455 6.179 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.168 -5.562 8.357 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.536 -5.810 6.622 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.371 -5.403 5.377 1.00 0.00 H new ATOM 0 HG CYS A 32 1.921 -3.071 5.968 1.00 0.00 H new ATOM 495 N GLY A 33 -2.603 -4.866 8.207 1.00 0.00 N ATOM 496 CA GLY A 33 -3.869 -4.142 8.332 1.00 0.00 C ATOM 497 C GLY A 33 -4.017 -2.917 7.415 1.00 0.00 C ATOM 498 O GLY A 33 -4.926 -2.902 6.583 1.00 0.00 O ATOM 0 H GLY A 33 -2.392 -5.402 9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.686 -4.833 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.983 -3.817 9.366 1.00 0.00 H new ATOM 502 N PRO A 34 -3.152 -1.892 7.539 1.00 0.00 N ATOM 503 CA PRO A 34 -3.169 -0.695 6.703 1.00 0.00 C ATOM 504 C PRO A 34 -3.414 -0.968 5.212 1.00 0.00 C ATOM 505 O PRO A 34 -4.130 -0.216 4.556 1.00 0.00 O ATOM 506 CB PRO A 34 -1.817 -0.021 6.942 1.00 0.00 C ATOM 507 CG PRO A 34 -1.539 -0.369 8.404 1.00 0.00 C ATOM 508 CD PRO A 34 -2.074 -1.799 8.513 1.00 0.00 C ATOM 0 HA PRO A 34 -4.010 -0.059 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.045 -0.409 6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.865 1.056 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.476 -0.315 8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.051 0.309 9.087 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.291 -2.527 8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.437 -2.005 9.520 1.00 0.00 H new ATOM 516 N CYS A 35 -2.854 -2.059 4.682 1.00 0.00 N ATOM 517 CA CYS A 35 -3.043 -2.473 3.295 1.00 0.00 C ATOM 518 C CYS A 35 -4.529 -2.606 2.972 1.00 0.00 C ATOM 519 O CYS A 35 -4.999 -2.158 1.929 1.00 0.00 O ATOM 520 CB CYS A 35 -2.395 -3.834 3.037 1.00 0.00 C ATOM 521 SG CYS A 35 -0.593 -3.733 3.158 1.00 0.00 S ATOM 0 H CYS A 35 -2.249 -2.685 5.214 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.581 -1.710 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.770 -4.561 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.676 -4.192 2.047 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.249 -3.585 4.403 1.00 0.00 H new ATOM 527 N LYS A 36 -5.269 -3.227 3.891 1.00 0.00 N ATOM 528 CA LYS A 36 -6.697 -3.419 3.762 1.00 0.00 C ATOM 529 C LYS A 36 -7.373 -2.060 3.909 1.00 0.00 C ATOM 530 O LYS A 36 -8.234 -1.713 3.107 1.00 0.00 O ATOM 531 CB LYS A 36 -7.203 -4.430 4.800 1.00 0.00 C ATOM 532 CG LYS A 36 -6.468 -5.777 4.709 1.00 0.00 C ATOM 533 CD LYS A 36 -6.767 -6.720 5.883 1.00 0.00 C ATOM 534 CE LYS A 36 -8.216 -7.221 5.936 1.00 0.00 C ATOM 535 NZ LYS A 36 -9.113 -6.279 6.629 1.00 0.00 N ATOM 0 H LYS A 36 -4.881 -3.612 4.752 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.940 -3.834 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.075 -4.016 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.271 -4.591 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.745 -6.271 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.394 -5.594 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.100 -7.580 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.539 -6.204 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.579 -7.383 4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.245 -8.186 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.579 -6.764 7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.560 -5.476 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.833 -5.932 5.964 1.00 0.00 H new ATOM 549 N MET A 37 -6.957 -1.270 4.906 1.00 0.00 N ATOM 550 CA MET A 37 -7.517 0.059 5.133 1.00 0.00 C ATOM 551 C MET A 37 -7.452 0.924 3.867 1.00 0.00 C ATOM 552 O MET A 37 -8.419 1.614 3.552 1.00 0.00 O ATOM 553 CB MET A 37 -6.848 0.761 6.322 1.00 0.00 C ATOM 554 CG MET A 37 -6.930 -0.041 7.629 1.00 0.00 C ATOM 555 SD MET A 37 -8.578 -0.554 8.184 1.00 0.00 S ATOM 556 CE MET A 37 -9.386 1.048 8.389 1.00 0.00 C ATOM 0 H MET A 37 -6.229 -1.534 5.570 1.00 0.00 H new ATOM 0 HA MET A 37 -8.569 -0.076 5.384 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.801 0.946 6.083 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.317 1.733 6.471 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.318 -0.936 7.515 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.478 0.556 8.421 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.387 0.901 8.796 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.803 1.665 9.073 1.00 0.00 H new ATOM 0 HE3 MET A 37 -9.457 1.546 7.422 1.00 0.00 H new ATOM 566 N ILE A 38 -6.334 0.897 3.133 1.00 0.00 N ATOM 567 CA ILE A 38 -6.222 1.684 1.905 1.00 0.00 C ATOM 568 C ILE A 38 -6.979 1.064 0.721 1.00 0.00 C ATOM 569 O ILE A 38 -7.147 1.742 -0.287 1.00 0.00 O ATOM 570 CB ILE A 38 -4.763 2.018 1.539 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.950 0.770 1.162 1.00 0.00 C ATOM 572 CG2 ILE A 38 -4.083 2.814 2.660 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.631 1.124 0.471 1.00 0.00 C ATOM 0 H ILE A 38 -5.507 0.347 3.365 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.715 2.631 2.126 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.795 2.646 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.743 0.189 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.544 0.137 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.054 3.037 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.624 3.746 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.087 2.226 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.092 0.209 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.837 1.681 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.023 1.734 1.139 1.00 0.00 H new ATOM 585 N ALA A 39 -7.445 -0.190 0.802 1.00 0.00 N ATOM 586 CA ALA A 39 -8.175 -0.829 -0.294 1.00 0.00 C ATOM 587 C ALA A 39 -9.342 0.031 -0.815 1.00 0.00 C ATOM 588 O ALA A 39 -9.334 0.374 -1.998 1.00 0.00 O ATOM 589 CB ALA A 39 -8.599 -2.256 0.071 1.00 0.00 C ATOM 0 H ALA A 39 -7.326 -0.783 1.623 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.483 -0.911 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.139 -2.700 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.714 -2.854 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.246 -2.230 0.948 1.00 0.00 H new ATOM 595 N PRO A 40 -10.333 0.419 0.012 1.00 0.00 N ATOM 596 CA PRO A 40 -11.424 1.274 -0.434 1.00 0.00 C ATOM 597 C PRO A 40 -10.899 2.574 -1.047 1.00 0.00 C ATOM 598 O PRO A 40 -11.403 3.007 -2.081 1.00 0.00 O ATOM 599 CB PRO A 40 -12.310 1.533 0.789 1.00 0.00 C ATOM 600 CG PRO A 40 -11.399 1.216 1.972 1.00 0.00 C ATOM 601 CD PRO A 40 -10.508 0.106 1.421 1.00 0.00 C ATOM 0 HA PRO A 40 -12.000 0.790 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.659 2.565 0.818 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.195 0.897 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.819 2.086 2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.966 0.886 2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.550 0.077 1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.971 -0.872 1.552 1.00 0.00 H new ATOM 609 N ILE A 41 -9.873 3.185 -0.446 1.00 0.00 N ATOM 610 CA ILE A 41 -9.287 4.407 -0.985 1.00 0.00 C ATOM 611 C ILE A 41 -8.815 4.129 -2.417 1.00 0.00 C ATOM 612 O ILE A 41 -9.216 4.818 -3.350 1.00 0.00 O ATOM 613 CB ILE A 41 -8.151 4.950 -0.094 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.563 5.001 1.390 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.763 6.355 -0.580 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.456 5.571 2.279 1.00 0.00 C ATOM 0 H ILE A 41 -9.435 2.851 0.412 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.043 5.192 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.299 4.275 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.461 5.610 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.818 3.997 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.960 6.747 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.425 6.302 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.628 7.014 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.794 5.587 3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.566 4.947 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.219 6.586 1.959 1.00 0.00 H new ATOM 628 N LEU A 42 -7.997 3.092 -2.601 1.00 0.00 N ATOM 629 CA LEU A 42 -7.505 2.684 -3.909 1.00 0.00 C ATOM 630 C LEU A 42 -8.672 2.406 -4.864 1.00 0.00 C ATOM 631 O LEU A 42 -8.598 2.781 -6.029 1.00 0.00 O ATOM 632 CB LEU A 42 -6.539 1.495 -3.774 1.00 0.00 C ATOM 633 CG LEU A 42 -5.168 1.879 -3.189 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.433 0.601 -2.774 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.291 2.635 -4.196 1.00 0.00 C ATOM 0 H LEU A 42 -7.657 2.509 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.934 3.501 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.996 0.736 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.393 1.043 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.347 2.536 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.459 0.860 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.019 0.071 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.296 -0.039 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.336 2.882 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.119 2.008 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.795 3.552 -4.500 1.00 0.00 H new ATOM 647 N ASP A 43 -9.762 1.792 -4.394 1.00 0.00 N ATOM 648 CA ASP A 43 -10.938 1.552 -5.232 1.00 0.00 C ATOM 649 C ASP A 43 -11.537 2.883 -5.707 1.00 0.00 C ATOM 650 O ASP A 43 -11.803 3.065 -6.896 1.00 0.00 O ATOM 651 CB ASP A 43 -11.998 0.733 -4.484 1.00 0.00 C ATOM 652 CG ASP A 43 -11.539 -0.669 -4.092 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.756 -1.259 -4.867 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.993 -1.137 -3.026 1.00 0.00 O ATOM 0 H ASP A 43 -9.853 1.452 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.617 0.977 -6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.291 1.273 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.887 0.651 -5.110 1.00 0.00 H new ATOM 659 N GLU A 44 -11.740 3.825 -4.779 1.00 0.00 N ATOM 660 CA GLU A 44 -12.282 5.143 -5.100 1.00 0.00 C ATOM 661 C GLU A 44 -11.385 5.807 -6.144 1.00 0.00 C ATOM 662 O GLU A 44 -11.853 6.246 -7.192 1.00 0.00 O ATOM 663 CB GLU A 44 -12.372 6.013 -3.840 1.00 0.00 C ATOM 664 CG GLU A 44 -13.411 5.499 -2.837 1.00 0.00 C ATOM 665 CD GLU A 44 -13.201 6.131 -1.463 1.00 0.00 C ATOM 666 OE1 GLU A 44 -13.192 7.381 -1.412 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.041 5.359 -0.493 1.00 0.00 O ATOM 0 H GLU A 44 -11.533 3.693 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.289 5.032 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.395 6.049 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.624 7.034 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.414 5.727 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.340 4.414 -2.757 1.00 0.00 H new ATOM 674 N ILE A 45 -10.085 5.843 -5.856 1.00 0.00 N ATOM 675 CA ILE A 45 -9.059 6.388 -6.730 1.00 0.00 C ATOM 676 C ILE A 45 -9.170 5.737 -8.113 1.00 0.00 C ATOM 677 O ILE A 45 -9.182 6.436 -9.123 1.00 0.00 O ATOM 678 CB ILE A 45 -7.694 6.172 -6.053 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.544 7.030 -4.778 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.490 6.364 -6.978 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.315 8.525 -5.006 1.00 0.00 C ATOM 0 H ILE A 45 -9.710 5.481 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.183 7.459 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.690 5.119 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.442 6.907 -4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.710 6.638 -4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.570 6.193 -6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.549 5.656 -7.804 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.491 7.381 -7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.224 9.030 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.400 8.670 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.158 8.942 -5.557 1.00 0.00 H new ATOM 693 N ALA A 46 -9.273 4.406 -8.169 1.00 0.00 N ATOM 694 CA ALA A 46 -9.407 3.675 -9.420 1.00 0.00 C ATOM 695 C ALA A 46 -10.598 4.191 -10.219 1.00 0.00 C ATOM 696 O ALA A 46 -10.474 4.425 -11.417 1.00 0.00 O ATOM 697 CB ALA A 46 -9.532 2.173 -9.165 1.00 0.00 C ATOM 0 H ALA A 46 -9.265 3.809 -7.342 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.504 3.841 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.631 1.649 -10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.642 1.817 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.412 1.980 -8.551 1.00 0.00 H new ATOM 703 N ASP A 47 -11.746 4.384 -9.563 1.00 0.00 N ATOM 704 CA ASP A 47 -12.919 4.922 -10.236 1.00 0.00 C ATOM 705 C ASP A 47 -12.638 6.347 -10.734 1.00 0.00 C ATOM 706 O ASP A 47 -12.824 6.647 -11.912 1.00 0.00 O ATOM 707 CB ASP A 47 -14.137 4.877 -9.310 1.00 0.00 C ATOM 708 CG ASP A 47 -15.373 5.400 -10.031 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.927 4.625 -10.842 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.735 6.567 -9.766 1.00 0.00 O ATOM 0 H ASP A 47 -11.882 4.176 -8.574 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.145 4.304 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.309 3.854 -8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.947 5.476 -8.420 1.00 0.00 H new ATOM 715 N GLU A 48 -12.180 7.223 -9.835 1.00 0.00 N ATOM 716 CA GLU A 48 -11.868 8.616 -10.139 1.00 0.00 C ATOM 717 C GLU A 48 -10.964 8.738 -11.369 1.00 0.00 C ATOM 718 O GLU A 48 -11.254 9.510 -12.282 1.00 0.00 O ATOM 719 CB GLU A 48 -11.219 9.283 -8.920 1.00 0.00 C ATOM 720 CG GLU A 48 -12.227 9.489 -7.782 1.00 0.00 C ATOM 721 CD GLU A 48 -11.541 10.005 -6.523 1.00 0.00 C ATOM 722 OE1 GLU A 48 -10.981 9.160 -5.789 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.579 11.236 -6.310 1.00 0.00 O ATOM 0 H GLU A 48 -12.014 6.976 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.801 9.129 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.392 8.668 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.799 10.245 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.995 10.196 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.731 8.547 -7.564 1.00 0.00 H new ATOM 730 N TYR A 49 -9.866 7.981 -11.393 1.00 0.00 N ATOM 731 CA TYR A 49 -8.907 7.991 -12.490 1.00 0.00 C ATOM 732 C TYR A 49 -9.141 6.817 -13.446 1.00 0.00 C ATOM 733 O TYR A 49 -8.192 6.322 -14.055 1.00 0.00 O ATOM 734 CB TYR A 49 -7.486 7.956 -11.913 1.00 0.00 C ATOM 735 CG TYR A 49 -7.106 9.138 -11.045 1.00 0.00 C ATOM 736 CD1 TYR A 49 -6.699 10.351 -11.629 1.00 0.00 C ATOM 737 CD2 TYR A 49 -7.020 8.974 -9.655 1.00 0.00 C ATOM 738 CE1 TYR A 49 -6.186 11.385 -10.822 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.478 9.990 -8.854 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.059 11.195 -9.436 1.00 0.00 C ATOM 741 OH TYR A 49 -5.528 12.169 -8.645 1.00 0.00 O ATOM 0 H TYR A 49 -9.618 7.338 -10.641 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.039 8.905 -13.070 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.373 7.045 -11.326 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.778 7.892 -12.740 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.780 10.490 -12.697 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.373 8.061 -9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.891 12.323 -11.268 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.383 9.844 -7.788 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.233 12.555 -8.083 1.00 0.00 H new ATOM 751 N GLN A 50 -10.385 6.353 -13.596 1.00 0.00 N ATOM 752 CA GLN A 50 -10.680 5.228 -14.471 1.00 0.00 C ATOM 753 C GLN A 50 -10.276 5.563 -15.909 1.00 0.00 C ATOM 754 O GLN A 50 -10.749 6.542 -16.482 1.00 0.00 O ATOM 755 CB GLN A 50 -12.161 4.859 -14.347 1.00 0.00 C ATOM 756 CG GLN A 50 -12.563 3.676 -15.235 1.00 0.00 C ATOM 757 CD GLN A 50 -13.924 3.104 -14.844 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.119 1.893 -14.858 1.00 0.00 O ATOM 759 NE2 GLN A 50 -14.877 3.955 -14.473 1.00 0.00 N ATOM 0 H GLN A 50 -11.199 6.742 -13.121 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.099 4.356 -14.172 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.383 4.617 -13.308 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.768 5.725 -14.609 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.590 3.997 -16.276 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.807 2.894 -15.162 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.692 4.958 -14.469 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.793 3.604 -14.192 1.00 0.00 H new ATOM 768 N GLY A 51 -9.372 4.760 -16.476 1.00 0.00 N ATOM 769 CA GLY A 51 -8.851 4.967 -17.820 1.00 0.00 C ATOM 770 C GLY A 51 -7.762 6.044 -17.867 1.00 0.00 C ATOM 771 O GLY A 51 -7.271 6.363 -18.945 1.00 0.00 O ATOM 0 H GLY A 51 -8.981 3.943 -16.007 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.446 4.028 -18.198 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.668 5.251 -18.483 1.00 0.00 H new ATOM 775 N LYS A 52 -7.376 6.595 -16.709 1.00 0.00 N ATOM 776 CA LYS A 52 -6.350 7.621 -16.569 1.00 0.00 C ATOM 777 C LYS A 52 -5.158 7.043 -15.797 1.00 0.00 C ATOM 778 O LYS A 52 -4.010 7.287 -16.162 1.00 0.00 O ATOM 779 CB LYS A 52 -6.921 8.864 -15.868 1.00 0.00 C ATOM 780 CG LYS A 52 -8.344 9.201 -16.335 1.00 0.00 C ATOM 781 CD LYS A 52 -8.812 10.539 -15.745 1.00 0.00 C ATOM 782 CE LYS A 52 -10.341 10.653 -15.779 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.878 10.461 -17.138 1.00 0.00 N ATOM 0 H LYS A 52 -7.788 6.325 -15.816 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.009 7.932 -17.557 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.925 8.700 -14.790 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.268 9.716 -16.058 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.372 9.249 -17.424 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.027 8.407 -16.034 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.460 10.630 -14.717 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.370 11.362 -16.307 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.775 9.911 -15.109 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.640 11.632 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.883 10.727 -17.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.350 11.057 -17.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.780 9.463 -17.412 1.00 0.00 H new ATOM 797 N LEU A 53 -5.432 6.269 -14.739 1.00 0.00 N ATOM 798 CA LEU A 53 -4.422 5.620 -13.915 1.00 0.00 C ATOM 799 C LEU A 53 -4.833 4.169 -13.700 1.00 0.00 C ATOM 800 O LEU A 53 -5.970 3.898 -13.318 1.00 0.00 O ATOM 801 CB LEU A 53 -4.325 6.332 -12.560 1.00 0.00 C ATOM 802 CG LEU A 53 -3.343 5.684 -11.574 1.00 0.00 C ATOM 803 CD1 LEU A 53 -1.885 5.825 -12.028 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.531 6.344 -10.207 1.00 0.00 C ATOM 0 H LEU A 53 -6.385 6.077 -14.431 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.452 5.666 -14.409 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.024 7.366 -12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.315 6.358 -12.105 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.555 4.616 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.229 5.351 -11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.757 5.343 -12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.631 6.882 -12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.842 5.898 -9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.329 7.412 -10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.556 6.193 -9.868 1.00 0.00 H new ATOM 816 N THR A 54 -3.906 3.239 -13.913 1.00 0.00 N ATOM 817 CA THR A 54 -4.165 1.828 -13.699 1.00 0.00 C ATOM 818 C THR A 54 -3.877 1.521 -12.227 1.00 0.00 C ATOM 819 O THR A 54 -2.718 1.371 -11.839 1.00 0.00 O ATOM 820 CB THR A 54 -3.287 1.002 -14.648 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.192 1.623 -15.915 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.777 -0.435 -14.808 1.00 0.00 C ATOM 0 H THR A 54 -2.961 3.446 -14.237 1.00 0.00 H new ATOM 0 HA THR A 54 -5.202 1.570 -13.915 1.00 0.00 H new ATOM 0 HB THR A 54 -2.299 0.959 -14.191 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.565 2.374 -15.865 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.117 -0.971 -15.490 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.775 -0.930 -13.837 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.790 -0.431 -15.211 1.00 0.00 H new ATOM 830 N VAL A 55 -4.904 1.433 -11.382 1.00 0.00 N ATOM 831 CA VAL A 55 -4.680 1.103 -9.983 1.00 0.00 C ATOM 832 C VAL A 55 -4.478 -0.408 -9.906 1.00 0.00 C ATOM 833 O VAL A 55 -5.304 -1.184 -10.391 1.00 0.00 O ATOM 834 CB VAL A 55 -5.835 1.593 -9.102 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.608 1.190 -7.642 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.923 3.123 -9.152 1.00 0.00 C ATOM 0 H VAL A 55 -5.880 1.583 -11.639 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.795 1.610 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.753 1.142 -9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.438 1.547 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.545 0.104 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.678 1.632 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.747 3.461 -8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.989 3.553 -8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.096 3.444 -10.179 1.00 0.00 H new ATOM 846 N ALA A 56 -3.356 -0.826 -9.322 1.00 0.00 N ATOM 847 CA ALA A 56 -2.976 -2.221 -9.222 1.00 0.00 C ATOM 848 C ALA A 56 -2.552 -2.562 -7.799 1.00 0.00 C ATOM 849 O ALA A 56 -2.048 -1.714 -7.063 1.00 0.00 O ATOM 850 CB ALA A 56 -1.856 -2.506 -10.225 1.00 0.00 C ATOM 0 H ALA A 56 -2.680 -0.189 -8.901 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.831 -2.853 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.564 -3.554 -10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.208 -2.293 -11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.997 -1.874 -10.000 1.00 0.00 H new ATOM 856 N LYS A 57 -2.741 -3.825 -7.422 1.00 0.00 N ATOM 857 CA LYS A 57 -2.351 -4.374 -6.138 1.00 0.00 C ATOM 858 C LYS A 57 -1.515 -5.611 -6.418 1.00 0.00 C ATOM 859 O LYS A 57 -1.794 -6.334 -7.366 1.00 0.00 O ATOM 860 CB LYS A 57 -3.585 -4.746 -5.301 1.00 0.00 C ATOM 861 CG LYS A 57 -4.063 -3.587 -4.418 1.00 0.00 C ATOM 862 CD LYS A 57 -5.302 -4.013 -3.614 1.00 0.00 C ATOM 863 CE LYS A 57 -5.766 -2.932 -2.630 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.827 -2.763 -1.506 1.00 0.00 N ATOM 0 H LYS A 57 -3.186 -4.514 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.785 -3.638 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.393 -5.050 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.349 -5.605 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.266 -3.284 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.301 -2.722 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.115 -4.246 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.078 -4.927 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.873 -1.984 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.751 -3.194 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.221 -2.085 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.678 -3.679 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.918 -2.406 -1.864 1.00 0.00 H new ATOM 878 N LEU A 58 -0.492 -5.862 -5.606 1.00 0.00 N ATOM 879 CA LEU A 58 0.364 -7.023 -5.735 1.00 0.00 C ATOM 880 C LEU A 58 0.534 -7.640 -4.354 1.00 0.00 C ATOM 881 O LEU A 58 1.147 -7.038 -3.475 1.00 0.00 O ATOM 882 CB LEU A 58 1.678 -6.606 -6.389 1.00 0.00 C ATOM 883 CG LEU A 58 2.552 -7.836 -6.693 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.364 -7.549 -7.949 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.516 -8.183 -5.553 1.00 0.00 C ATOM 0 H LEU A 58 -0.236 -5.251 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.071 -7.785 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.474 -6.062 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.217 -5.925 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 58 1.886 -8.689 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.991 -8.410 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.689 -7.356 -8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.994 -6.675 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.104 -9.059 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.183 -7.340 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.947 -8.397 -4.648 1.00 0.00 H new ATOM 897 N ASN A 59 -0.032 -8.829 -4.142 1.00 0.00 N ATOM 898 CA ASN A 59 0.065 -9.488 -2.851 1.00 0.00 C ATOM 899 C ASN A 59 1.436 -10.157 -2.718 1.00 0.00 C ATOM 900 O ASN A 59 1.710 -11.151 -3.398 1.00 0.00 O ATOM 901 CB ASN A 59 -1.068 -10.495 -2.658 1.00 0.00 C ATOM 902 CG ASN A 59 -0.887 -11.150 -1.297 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.205 -12.159 -1.199 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.437 -10.577 -0.232 1.00 0.00 N ATOM 0 H ASN A 59 -0.558 -9.348 -4.846 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.036 -8.740 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.035 -9.996 -2.715 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.049 -11.246 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.294 -10.979 0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.002 -9.735 -0.341 1.00 0.00 H new ATOM 911 N ILE A 60 2.293 -9.620 -1.845 1.00 0.00 N ATOM 912 CA ILE A 60 3.631 -10.153 -1.635 1.00 0.00 C ATOM 913 C ILE A 60 3.612 -11.495 -0.901 1.00 0.00 C ATOM 914 O ILE A 60 4.561 -12.259 -1.037 1.00 0.00 O ATOM 915 CB ILE A 60 4.576 -9.137 -0.965 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.202 -8.806 0.490 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.676 -7.858 -1.808 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.429 -8.387 1.302 1.00 0.00 C ATOM 0 H ILE A 60 2.075 -8.807 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 60 4.041 -10.344 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 60 5.553 -9.617 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.464 -8.004 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.737 -9.676 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.347 -7.152 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.064 -8.103 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.688 -7.409 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.128 -8.160 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.156 -9.199 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.879 -7.502 0.852 1.00 0.00 H new ATOM 930 N ASP A 61 2.554 -11.815 -0.146 1.00 0.00 N ATOM 931 CA ASP A 61 2.480 -13.105 0.541 1.00 0.00 C ATOM 932 C ASP A 61 2.568 -14.224 -0.499 1.00 0.00 C ATOM 933 O ASP A 61 3.318 -15.182 -0.340 1.00 0.00 O ATOM 934 CB ASP A 61 1.203 -13.259 1.386 1.00 0.00 C ATOM 935 CG ASP A 61 0.937 -12.086 2.322 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.823 -11.821 3.162 1.00 0.00 O ATOM 937 OD2 ASP A 61 -0.152 -11.479 2.188 1.00 0.00 O ATOM 0 H ASP A 61 1.749 -11.206 0.002 1.00 0.00 H new ATOM 0 HA ASP A 61 3.317 -13.163 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.350 -13.379 0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.277 -14.172 1.976 1.00 0.00 H new ATOM 942 N GLN A 62 1.794 -14.082 -1.577 1.00 0.00 N ATOM 943 CA GLN A 62 1.773 -15.008 -2.698 1.00 0.00 C ATOM 944 C GLN A 62 2.948 -14.748 -3.645 1.00 0.00 C ATOM 945 O GLN A 62 3.361 -15.659 -4.357 1.00 0.00 O ATOM 946 CB GLN A 62 0.433 -14.885 -3.442 1.00 0.00 C ATOM 947 CG GLN A 62 -0.791 -15.210 -2.572 1.00 0.00 C ATOM 948 CD GLN A 62 -0.833 -16.665 -2.113 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.510 -17.491 -2.714 1.00 0.00 O ATOM 950 NE2 GLN A 62 -0.118 -16.994 -1.040 1.00 0.00 N ATOM 0 H GLN A 62 1.151 -13.299 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 62 1.876 -16.024 -2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.334 -13.870 -3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.443 -15.554 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.790 -14.560 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.698 -14.987 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.436 -16.285 -0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.124 -17.955 -0.698 1.00 0.00 H new ATOM 959 N ASN A 63 3.485 -13.520 -3.672 1.00 0.00 N ATOM 960 CA ASN A 63 4.589 -13.146 -4.560 1.00 0.00 C ATOM 961 C ASN A 63 5.761 -12.504 -3.807 1.00 0.00 C ATOM 962 O ASN A 63 6.031 -11.318 -4.020 1.00 0.00 O ATOM 963 CB ASN A 63 4.057 -12.172 -5.621 1.00 0.00 C ATOM 964 CG ASN A 63 2.895 -12.741 -6.417 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.095 -13.365 -7.454 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.671 -12.501 -5.965 1.00 0.00 N ATOM 0 H ASN A 63 3.163 -12.758 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 63 4.972 -14.056 -5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.740 -11.250 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.865 -11.910 -6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.860 -12.839 -6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.541 -11.979 -5.099 1.00 0.00 H new ATOM 973 N PRO A 64 6.483 -13.243 -2.946 1.00 0.00 N ATOM 974 CA PRO A 64 7.587 -12.691 -2.176 1.00 0.00 C ATOM 975 C PRO A 64 8.643 -12.007 -3.041 1.00 0.00 C ATOM 976 O PRO A 64 8.951 -10.843 -2.809 1.00 0.00 O ATOM 977 CB PRO A 64 8.179 -13.852 -1.371 1.00 0.00 C ATOM 978 CG PRO A 64 7.011 -14.827 -1.260 1.00 0.00 C ATOM 979 CD PRO A 64 6.278 -14.640 -2.588 1.00 0.00 C ATOM 0 HA PRO A 64 7.221 -11.900 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.032 -14.301 -1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.527 -13.527 -0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.353 -15.854 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.370 -14.594 -0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.676 -15.305 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.217 -14.869 -2.487 1.00 0.00 H new ATOM 987 N GLY A 65 9.197 -12.734 -4.018 1.00 0.00 N ATOM 988 CA GLY A 65 10.270 -12.295 -4.910 1.00 0.00 C ATOM 989 C GLY A 65 10.178 -10.830 -5.342 1.00 0.00 C ATOM 990 O GLY A 65 11.170 -10.101 -5.313 1.00 0.00 O ATOM 0 H GLY A 65 8.894 -13.688 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.227 -12.454 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.265 -12.924 -5.800 1.00 0.00 H new ATOM 994 N THR A 66 8.989 -10.395 -5.754 1.00 0.00 N ATOM 995 CA THR A 66 8.746 -9.038 -6.208 1.00 0.00 C ATOM 996 C THR A 66 9.213 -7.988 -5.185 1.00 0.00 C ATOM 997 O THR A 66 9.697 -6.926 -5.575 1.00 0.00 O ATOM 998 CB THR A 66 7.261 -8.890 -6.605 1.00 0.00 C ATOM 999 OG1 THR A 66 6.575 -10.121 -6.443 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.156 -8.461 -8.072 1.00 0.00 C ATOM 0 H THR A 66 8.159 -10.988 -5.780 1.00 0.00 H new ATOM 0 HA THR A 66 9.350 -8.845 -7.095 1.00 0.00 H new ATOM 0 HB THR A 66 6.810 -8.137 -5.959 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.480 -10.319 -5.488 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.106 -8.358 -8.347 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.662 -7.505 -8.209 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.625 -9.214 -8.706 1.00 0.00 H new ATOM 1008 N ALA A 67 9.099 -8.275 -3.883 1.00 0.00 N ATOM 1009 CA ALA A 67 9.515 -7.356 -2.835 1.00 0.00 C ATOM 1010 C ALA A 67 10.993 -6.950 -2.965 1.00 0.00 C ATOM 1011 O ALA A 67 11.253 -5.789 -3.286 1.00 0.00 O ATOM 1012 CB ALA A 67 9.114 -7.882 -1.450 1.00 0.00 C ATOM 0 H ALA A 67 8.715 -9.153 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 67 8.970 -6.420 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.437 -7.176 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.031 -7.997 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.589 -8.848 -1.276 1.00 0.00 H new ATOM 1018 N PRO A 68 11.980 -7.840 -2.749 1.00 0.00 N ATOM 1019 CA PRO A 68 13.377 -7.478 -2.918 1.00 0.00 C ATOM 1020 C PRO A 68 13.650 -7.002 -4.348 1.00 0.00 C ATOM 1021 O PRO A 68 14.403 -6.047 -4.519 1.00 0.00 O ATOM 1022 CB PRO A 68 14.197 -8.715 -2.539 1.00 0.00 C ATOM 1023 CG PRO A 68 13.216 -9.870 -2.726 1.00 0.00 C ATOM 1024 CD PRO A 68 11.878 -9.233 -2.354 1.00 0.00 C ATOM 0 HA PRO A 68 13.655 -6.641 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.073 -8.826 -3.178 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.557 -8.658 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.217 -10.241 -3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.456 -10.715 -2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.054 -9.726 -2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.686 -9.323 -1.285 1.00 0.00 H new ATOM 1032 N LYS A 69 13.031 -7.620 -5.368 1.00 0.00 N ATOM 1033 CA LYS A 69 13.231 -7.189 -6.753 1.00 0.00 C ATOM 1034 C LYS A 69 12.983 -5.686 -6.921 1.00 0.00 C ATOM 1035 O LYS A 69 13.727 -5.032 -7.646 1.00 0.00 O ATOM 1036 CB LYS A 69 12.344 -7.986 -7.718 1.00 0.00 C ATOM 1037 CG LYS A 69 12.841 -9.424 -7.905 1.00 0.00 C ATOM 1038 CD LYS A 69 11.804 -10.303 -8.620 1.00 0.00 C ATOM 1039 CE LYS A 69 11.475 -9.808 -10.033 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.575 -10.745 -10.726 1.00 0.00 N ATOM 0 H LYS A 69 12.396 -8.410 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 69 14.274 -7.387 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.322 -8.003 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.318 -7.483 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.767 -9.416 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.074 -9.857 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.179 -11.325 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.889 -10.331 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.009 -8.824 -9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.396 -9.693 -10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.154 -10.275 -11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.114 -11.578 -11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.820 -11.045 -10.077 1.00 0.00 H new ATOM 1054 N TYR A 70 11.958 -5.137 -6.255 1.00 0.00 N ATOM 1055 CA TYR A 70 11.651 -3.711 -6.321 1.00 0.00 C ATOM 1056 C TYR A 70 12.076 -2.976 -5.048 1.00 0.00 C ATOM 1057 O TYR A 70 11.618 -1.865 -4.792 1.00 0.00 O ATOM 1058 CB TYR A 70 10.178 -3.523 -6.703 1.00 0.00 C ATOM 1059 CG TYR A 70 9.953 -3.823 -8.170 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.312 -2.855 -9.126 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.710 -5.148 -8.575 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.493 -3.226 -10.470 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.912 -5.524 -9.912 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.347 -4.571 -10.847 1.00 0.00 C ATOM 1065 OH TYR A 70 10.629 -4.947 -12.123 1.00 0.00 O ATOM 0 H TYR A 70 11.324 -5.670 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 70 12.243 -3.243 -7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.555 -4.179 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.871 -2.500 -6.486 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.449 -1.826 -8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.367 -5.877 -7.856 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.743 -2.480 -11.209 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.733 -6.543 -10.221 1.00 0.00 H new ATOM 0 HH TYR A 70 10.478 -5.910 -12.221 1.00 0.00 H new ATOM 1075 N GLY A 71 12.981 -3.572 -4.265 1.00 0.00 N ATOM 1076 CA GLY A 71 13.528 -2.978 -3.057 1.00 0.00 C ATOM 1077 C GLY A 71 12.455 -2.501 -2.082 1.00 0.00 C ATOM 1078 O GLY A 71 12.618 -1.457 -1.453 1.00 0.00 O ATOM 0 H GLY A 71 13.357 -4.499 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.165 -3.708 -2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.163 -2.135 -3.330 1.00 0.00 H new ATOM 1082 N ILE A 72 11.368 -3.265 -1.940 1.00 0.00 N ATOM 1083 CA ILE A 72 10.299 -2.932 -1.004 1.00 0.00 C ATOM 1084 C ILE A 72 10.883 -2.806 0.405 1.00 0.00 C ATOM 1085 O ILE A 72 11.492 -3.740 0.921 1.00 0.00 O ATOM 1086 CB ILE A 72 9.167 -3.978 -1.095 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.136 -3.611 -2.175 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.397 -4.163 0.222 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.737 -3.340 -3.554 1.00 0.00 C ATOM 0 H ILE A 72 11.208 -4.124 -2.467 1.00 0.00 H new ATOM 0 HA ILE A 72 9.854 -1.971 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 72 9.679 -4.907 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.413 -4.422 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.587 -2.727 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.617 -4.912 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.084 -4.492 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.943 -3.216 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.941 -3.089 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.438 -2.508 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.261 -4.230 -3.904 1.00 0.00 H new ATOM 1101 N ARG A 73 10.690 -1.634 1.011 1.00 0.00 N ATOM 1102 CA ARG A 73 11.174 -1.327 2.345 1.00 0.00 C ATOM 1103 C ARG A 73 10.230 -1.939 3.380 1.00 0.00 C ATOM 1104 O ARG A 73 10.664 -2.583 4.332 1.00 0.00 O ATOM 1105 CB ARG A 73 11.267 0.194 2.509 1.00 0.00 C ATOM 1106 CG ARG A 73 12.109 0.899 1.435 1.00 0.00 C ATOM 1107 CD ARG A 73 13.503 0.289 1.256 1.00 0.00 C ATOM 1108 NE ARG A 73 14.250 0.257 2.521 1.00 0.00 N ATOM 1109 CZ ARG A 73 15.372 -0.448 2.722 1.00 0.00 C ATOM 1110 NH1 ARG A 73 15.910 -1.158 1.723 1.00 0.00 N ATOM 1111 NH2 ARG A 73 15.950 -0.438 3.926 1.00 0.00 N ATOM 0 H ARG A 73 10.184 -0.863 0.576 1.00 0.00 H new ATOM 0 HA ARG A 73 12.167 -1.751 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.260 0.611 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.690 0.416 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.578 0.859 0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.212 1.952 1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.409 -0.723 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.061 0.866 0.519 1.00 0.00 H new ATOM 0 HE ARG A 73 13.890 0.809 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.466 -1.164 0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.764 -1.693 1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.537 0.104 4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.804 -0.972 4.086 1.00 0.00 H new ATOM 1125 N GLY A 74 8.928 -1.733 3.184 1.00 0.00 N ATOM 1126 CA GLY A 74 7.871 -2.246 4.035 1.00 0.00 C ATOM 1127 C GLY A 74 6.560 -2.014 3.300 1.00 0.00 C ATOM 1128 O GLY A 74 6.440 -1.029 2.571 1.00 0.00 O ATOM 0 H GLY A 74 8.575 -1.185 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.018 -3.307 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.869 -1.736 4.998 1.00 0.00 H new ATOM 1132 N ILE A 75 5.597 -2.921 3.463 1.00 0.00 N ATOM 1133 CA ILE A 75 4.302 -2.832 2.804 1.00 0.00 C ATOM 1134 C ILE A 75 3.293 -2.092 3.702 1.00 0.00 C ATOM 1135 O ILE A 75 3.415 -2.160 4.926 1.00 0.00 O ATOM 1136 CB ILE A 75 3.831 -4.224 2.333 1.00 0.00 C ATOM 1137 CG1 ILE A 75 4.039 -5.392 3.308 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.581 -4.623 1.055 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.323 -5.191 4.634 1.00 0.00 C ATOM 0 H ILE A 75 5.698 -3.742 4.060 1.00 0.00 H new ATOM 0 HA ILE A 75 4.390 -2.233 1.898 1.00 0.00 H new ATOM 0 HB ILE A 75 2.757 -4.087 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.684 -6.313 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.106 -5.519 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.244 -5.607 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.381 -3.892 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.652 -4.655 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.507 -6.049 5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.696 -4.287 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.252 -5.093 4.458 1.00 0.00 H new ATOM 1151 N PRO A 76 2.293 -1.381 3.150 1.00 0.00 N ATOM 1152 CA PRO A 76 2.014 -1.204 1.731 1.00 0.00 C ATOM 1153 C PRO A 76 3.063 -0.309 1.065 1.00 0.00 C ATOM 1154 O PRO A 76 3.444 0.714 1.632 1.00 0.00 O ATOM 1155 CB PRO A 76 0.626 -0.556 1.663 1.00 0.00 C ATOM 1156 CG PRO A 76 0.522 0.207 2.981 1.00 0.00 C ATOM 1157 CD PRO A 76 1.309 -0.673 3.951 1.00 0.00 C ATOM 0 HA PRO A 76 2.045 -2.155 1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.536 0.111 0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.162 -1.304 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.951 1.206 2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.514 0.328 3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.793 -0.069 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.649 -1.372 4.465 1.00 0.00 H new ATOM 1165 N THR A 77 3.528 -0.694 -0.127 1.00 0.00 N ATOM 1166 CA THR A 77 4.507 0.073 -0.891 1.00 0.00 C ATOM 1167 C THR A 77 3.861 0.420 -2.228 1.00 0.00 C ATOM 1168 O THR A 77 3.589 -0.478 -3.023 1.00 0.00 O ATOM 1169 CB THR A 77 5.804 -0.725 -1.102 1.00 0.00 C ATOM 1170 OG1 THR A 77 6.035 -1.623 -0.038 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.999 0.227 -1.197 1.00 0.00 C ATOM 0 H THR A 77 3.231 -1.553 -0.589 1.00 0.00 H new ATOM 0 HA THR A 77 4.784 0.977 -0.348 1.00 0.00 H new ATOM 0 HB THR A 77 5.692 -1.289 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.116 -1.123 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.912 -0.349 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.857 0.906 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.080 0.803 -0.275 1.00 0.00 H new ATOM 1179 N LEU A 78 3.602 1.701 -2.479 1.00 0.00 N ATOM 1180 CA LEU A 78 2.957 2.163 -3.695 1.00 0.00 C ATOM 1181 C LEU A 78 4.043 2.592 -4.677 1.00 0.00 C ATOM 1182 O LEU A 78 4.597 3.684 -4.546 1.00 0.00 O ATOM 1183 CB LEU A 78 1.938 3.284 -3.406 1.00 0.00 C ATOM 1184 CG LEU A 78 1.274 3.212 -2.021 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.446 4.473 -1.781 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.380 1.976 -1.890 1.00 0.00 C ATOM 0 H LEU A 78 3.839 2.453 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 78 2.377 1.355 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.441 4.246 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.160 3.253 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 78 2.063 3.138 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.023 4.419 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.094 5.348 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.325 4.553 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.073 1.958 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.404 2.012 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.979 1.077 -2.032 1.00 0.00 H new ATOM 1198 N LEU A 79 4.351 1.736 -5.653 1.00 0.00 N ATOM 1199 CA LEU A 79 5.315 2.005 -6.712 1.00 0.00 C ATOM 1200 C LEU A 79 4.494 2.577 -7.861 1.00 0.00 C ATOM 1201 O LEU A 79 3.692 1.861 -8.458 1.00 0.00 O ATOM 1202 CB LEU A 79 5.996 0.709 -7.182 1.00 0.00 C ATOM 1203 CG LEU A 79 7.117 0.121 -6.309 1.00 0.00 C ATOM 1204 CD1 LEU A 79 8.412 0.922 -6.440 1.00 0.00 C ATOM 1205 CD2 LEU A 79 6.728 -0.004 -4.835 1.00 0.00 C ATOM 0 H LEU A 79 3.923 0.813 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 79 6.099 2.680 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.224 -0.053 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.407 0.890 -8.175 1.00 0.00 H new ATOM 0 HG LEU A 79 7.283 -0.887 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.181 0.476 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.743 0.911 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.237 1.951 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.562 -0.425 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.484 0.981 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.861 -0.658 -4.742 1.00 0.00 H new ATOM 1217 N LEU A 80 4.676 3.855 -8.178 1.00 0.00 N ATOM 1218 CA LEU A 80 3.950 4.490 -9.258 1.00 0.00 C ATOM 1219 C LEU A 80 4.798 4.374 -10.515 1.00 0.00 C ATOM 1220 O LEU A 80 5.796 5.076 -10.655 1.00 0.00 O ATOM 1221 CB LEU A 80 3.636 5.928 -8.868 1.00 0.00 C ATOM 1222 CG LEU A 80 2.862 6.714 -9.940 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.827 5.903 -10.734 1.00 0.00 C ATOM 1224 CD2 LEU A 80 2.102 7.813 -9.206 1.00 0.00 C ATOM 0 H LEU A 80 5.328 4.471 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 80 2.993 4.008 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.056 5.925 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.570 6.448 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 80 3.596 7.063 -10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.339 6.550 -11.462 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.326 5.085 -11.253 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.081 5.498 -10.051 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.533 8.404 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.420 7.364 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.809 8.458 -8.685 1.00 0.00 H new ATOM 1236 N PHE A 81 4.390 3.481 -11.414 1.00 0.00 N ATOM 1237 CA PHE A 81 5.048 3.203 -12.674 1.00 0.00 C ATOM 1238 C PHE A 81 4.422 4.042 -13.780 1.00 0.00 C ATOM 1239 O PHE A 81 3.208 4.222 -13.804 1.00 0.00 O ATOM 1240 CB PHE A 81 4.880 1.717 -13.015 1.00 0.00 C ATOM 1241 CG PHE A 81 5.832 0.797 -12.281 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.480 0.257 -11.032 1.00 0.00 C ATOM 1243 CD2 PHE A 81 7.051 0.437 -12.880 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.330 -0.671 -10.406 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.904 -0.487 -12.254 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.554 -1.019 -11.004 1.00 0.00 C ATOM 0 H PHE A 81 3.556 2.911 -11.272 1.00 0.00 H new ATOM 0 HA PHE A 81 6.107 3.448 -12.589 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.857 1.418 -12.788 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.020 1.585 -14.088 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.558 0.555 -10.554 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.334 0.873 -13.827 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.043 -1.117 -9.465 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.825 -0.786 -12.733 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.226 -1.697 -10.500 1.00 0.00 H new ATOM 1256 N LYS A 82 5.245 4.500 -14.720 1.00 0.00 N ATOM 1257 CA LYS A 82 4.841 5.188 -15.929 1.00 0.00 C ATOM 1258 C LYS A 82 5.718 4.609 -17.033 1.00 0.00 C ATOM 1259 O LYS A 82 6.943 4.629 -16.919 1.00 0.00 O ATOM 1260 CB LYS A 82 4.996 6.709 -15.814 1.00 0.00 C ATOM 1261 CG LYS A 82 3.958 7.306 -14.854 1.00 0.00 C ATOM 1262 CD LYS A 82 4.022 8.841 -14.812 1.00 0.00 C ATOM 1263 CE LYS A 82 3.383 9.483 -16.052 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.496 10.952 -16.016 1.00 0.00 N ATOM 0 H LYS A 82 6.257 4.393 -14.650 1.00 0.00 H new ATOM 0 HA LYS A 82 3.781 5.036 -16.135 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.999 6.949 -15.462 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.887 7.163 -16.799 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.960 6.994 -15.161 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.122 6.910 -13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.514 9.200 -13.917 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.062 9.158 -14.737 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.867 9.101 -16.951 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.332 9.199 -16.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.861 11.367 -16.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.230 11.298 -15.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.477 11.230 -16.223 1.00 0.00 H new ATOM 1278 N ASN A 83 5.099 4.040 -18.068 1.00 0.00 N ATOM 1279 CA ASN A 83 5.795 3.420 -19.191 1.00 0.00 C ATOM 1280 C ASN A 83 6.857 2.437 -18.696 1.00 0.00 C ATOM 1281 O ASN A 83 8.003 2.464 -19.135 1.00 0.00 O ATOM 1282 CB ASN A 83 6.372 4.482 -20.143 1.00 0.00 C ATOM 1283 CG ASN A 83 5.300 5.363 -20.781 1.00 0.00 C ATOM 1284 OD1 ASN A 83 4.104 5.176 -20.568 1.00 0.00 O ATOM 1285 ND2 ASN A 83 5.719 6.349 -21.569 1.00 0.00 N ATOM 0 H ASN A 83 4.083 3.997 -18.149 1.00 0.00 H new ATOM 0 HA ASN A 83 5.073 2.844 -19.769 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.071 5.112 -19.593 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.941 3.985 -20.929 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.042 6.970 -22.012 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.717 6.484 -21.730 1.00 0.00 H new ATOM 1292 N GLY A 84 6.467 1.562 -17.766 1.00 0.00 N ATOM 1293 CA GLY A 84 7.340 0.546 -17.202 1.00 0.00 C ATOM 1294 C GLY A 84 8.429 1.066 -16.258 1.00 0.00 C ATOM 1295 O GLY A 84 9.119 0.248 -15.649 1.00 0.00 O ATOM 0 H GLY A 84 5.522 1.544 -17.383 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.728 -0.175 -16.661 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.819 0.008 -18.020 1.00 0.00 H new ATOM 1299 N GLU A 85 8.595 2.385 -16.091 1.00 0.00 N ATOM 1300 CA GLU A 85 9.613 2.962 -15.218 1.00 0.00 C ATOM 1301 C GLU A 85 8.967 3.517 -13.952 1.00 0.00 C ATOM 1302 O GLU A 85 7.920 4.155 -14.027 1.00 0.00 O ATOM 1303 CB GLU A 85 10.344 4.084 -15.964 1.00 0.00 C ATOM 1304 CG GLU A 85 11.100 3.539 -17.180 1.00 0.00 C ATOM 1305 CD GLU A 85 11.795 4.658 -17.945 1.00 0.00 C ATOM 1306 OE1 GLU A 85 11.111 5.290 -18.780 1.00 0.00 O ATOM 1307 OE2 GLU A 85 12.995 4.870 -17.673 1.00 0.00 O ATOM 0 H GLU A 85 8.020 3.082 -16.564 1.00 0.00 H new ATOM 0 HA GLU A 85 10.325 2.187 -14.936 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.626 4.838 -16.287 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.043 4.578 -15.289 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.837 2.806 -16.854 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.405 3.020 -17.841 1.00 0.00 H new ATOM 1314 N VAL A 86 9.592 3.302 -12.794 1.00 0.00 N ATOM 1315 CA VAL A 86 9.104 3.840 -11.527 1.00 0.00 C ATOM 1316 C VAL A 86 9.227 5.369 -11.576 1.00 0.00 C ATOM 1317 O VAL A 86 10.333 5.903 -11.530 1.00 0.00 O ATOM 1318 CB VAL A 86 9.877 3.232 -10.338 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.448 3.863 -9.011 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.621 1.722 -10.233 1.00 0.00 C ATOM 0 H VAL A 86 10.447 2.752 -12.709 1.00 0.00 H new ATOM 0 HA VAL A 86 8.058 3.573 -11.380 1.00 0.00 H new ATOM 0 HB VAL A 86 10.933 3.430 -10.522 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.012 3.412 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.643 4.935 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.383 3.692 -8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.177 1.317 -9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.556 1.543 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.948 1.233 -11.150 1.00 0.00 H new ATOM 1330 N ALA A 87 8.094 6.066 -11.663 1.00 0.00 N ATOM 1331 CA ALA A 87 8.019 7.520 -11.683 1.00 0.00 C ATOM 1332 C ALA A 87 8.148 8.059 -10.261 1.00 0.00 C ATOM 1333 O ALA A 87 8.869 9.024 -10.024 1.00 0.00 O ATOM 1334 CB ALA A 87 6.687 7.956 -12.299 1.00 0.00 C ATOM 0 H ALA A 87 7.179 5.618 -11.723 1.00 0.00 H new ATOM 0 HA ALA A 87 8.834 7.920 -12.286 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.632 9.045 -12.313 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.615 7.575 -13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.864 7.559 -11.705 1.00 0.00 H new ATOM 1340 N ALA A 88 7.455 7.424 -9.312 1.00 0.00 N ATOM 1341 CA ALA A 88 7.496 7.799 -7.907 1.00 0.00 C ATOM 1342 C ALA A 88 7.253 6.563 -7.052 1.00 0.00 C ATOM 1343 O ALA A 88 6.893 5.497 -7.560 1.00 0.00 O ATOM 1344 CB ALA A 88 6.476 8.898 -7.606 1.00 0.00 C ATOM 0 H ALA A 88 6.846 6.629 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 88 8.480 8.203 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.526 9.161 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.700 9.777 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.474 8.540 -7.844 1.00 0.00 H new ATOM 1350 N THR A 89 7.472 6.679 -5.744 1.00 0.00 N ATOM 1351 CA THR A 89 7.322 5.571 -4.821 1.00 0.00 C ATOM 1352 C THR A 89 6.931 6.118 -3.454 1.00 0.00 C ATOM 1353 O THR A 89 7.463 7.144 -3.037 1.00 0.00 O ATOM 1354 CB THR A 89 8.640 4.785 -4.769 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.938 4.283 -6.052 1.00 0.00 O ATOM 1356 CG2 THR A 89 8.580 3.616 -3.781 1.00 0.00 C ATOM 0 H THR A 89 7.759 7.551 -5.299 1.00 0.00 H new ATOM 0 HA THR A 89 6.537 4.890 -5.149 1.00 0.00 H new ATOM 0 HB THR A 89 9.416 5.472 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.780 3.783 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.535 3.091 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.374 3.996 -2.780 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.788 2.928 -4.079 1.00 0.00 H new ATOM 1364 N LYS A 90 6.007 5.436 -2.774 1.00 0.00 N ATOM 1365 CA LYS A 90 5.542 5.787 -1.442 1.00 0.00 C ATOM 1366 C LYS A 90 5.575 4.523 -0.584 1.00 0.00 C ATOM 1367 O LYS A 90 5.156 3.459 -1.038 1.00 0.00 O ATOM 1368 CB LYS A 90 4.125 6.369 -1.537 1.00 0.00 C ATOM 1369 CG LYS A 90 3.455 6.599 -0.175 1.00 0.00 C ATOM 1370 CD LYS A 90 4.193 7.651 0.666 1.00 0.00 C ATOM 1371 CE LYS A 90 3.412 8.030 1.929 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.086 6.854 2.755 1.00 0.00 N ATOM 0 H LYS A 90 5.553 4.603 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 90 6.180 6.543 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.167 7.316 -2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.504 5.695 -2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.424 6.918 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.419 5.658 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.173 7.267 0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.362 8.543 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.998 8.735 2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.491 8.540 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.573 7.159 3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.491 6.200 2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.964 6.372 3.034 1.00 0.00 H new ATOM 1386 N VAL A 91 6.051 4.648 0.656 1.00 0.00 N ATOM 1387 CA VAL A 91 6.107 3.581 1.640 1.00 0.00 C ATOM 1388 C VAL A 91 5.087 3.948 2.717 1.00 0.00 C ATOM 1389 O VAL A 91 5.181 5.032 3.292 1.00 0.00 O ATOM 1390 CB VAL A 91 7.529 3.487 2.226 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.646 2.290 3.177 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.595 3.358 1.130 1.00 0.00 C ATOM 0 H VAL A 91 6.420 5.531 1.009 1.00 0.00 H new ATOM 0 HA VAL A 91 5.876 2.608 1.206 1.00 0.00 H new ATOM 0 HB VAL A 91 7.704 4.414 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.658 2.242 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.935 2.405 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.428 1.371 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.582 3.295 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.408 2.458 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.553 4.230 0.477 1.00 0.00 H new ATOM 1402 N GLY A 92 4.108 3.082 2.978 1.00 0.00 N ATOM 1403 CA GLY A 92 3.070 3.322 3.969 1.00 0.00 C ATOM 1404 C GLY A 92 1.806 3.917 3.345 1.00 0.00 C ATOM 1405 O GLY A 92 1.781 4.272 2.166 1.00 0.00 O ATOM 0 H GLY A 92 4.016 2.186 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.821 2.385 4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.449 3.999 4.734 1.00 0.00 H new ATOM 1409 N ALA A 93 0.747 4.008 4.154 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.553 4.520 3.743 1.00 0.00 C ATOM 1411 C ALA A 93 -0.530 6.031 3.477 1.00 0.00 C ATOM 1412 O ALA A 93 0.440 6.720 3.791 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.587 4.169 4.819 1.00 0.00 C ATOM 0 H ALA A 93 0.775 3.721 5.132 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.825 4.049 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.565 4.548 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.637 3.086 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.295 4.623 5.766 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.630 6.538 2.913 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.857 7.935 2.574 1.00 0.00 C ATOM 1421 C LEU A 94 -3.305 8.278 2.901 1.00 0.00 C ATOM 1422 O LEU A 94 -4.150 7.385 2.966 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.714 8.116 1.056 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.276 8.268 0.556 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.208 7.805 -0.899 1.00 0.00 C ATOM 1426 CD2 LEU A 94 0.090 9.748 0.569 1.00 0.00 C ATOM 0 H LEU A 94 -2.426 5.948 2.670 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.149 8.558 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.167 7.258 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.282 8.996 0.755 1.00 0.00 H new ATOM 0 HG LEU A 94 0.395 7.686 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.813 7.909 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.512 6.760 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.876 8.415 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.113 9.873 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.589 10.297 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.008 10.134 1.585 1.00 0.00 H new ATOM 1438 N SER A 95 -3.604 9.575 3.003 1.00 0.00 N ATOM 1439 CA SER A 95 -4.970 10.051 3.096 1.00 0.00 C ATOM 1440 C SER A 95 -5.482 10.135 1.657 1.00 0.00 C ATOM 1441 O SER A 95 -4.685 10.183 0.716 1.00 0.00 O ATOM 1442 CB SER A 95 -4.988 11.437 3.749 1.00 0.00 C ATOM 1443 OG SER A 95 -4.316 12.361 2.913 1.00 0.00 O ATOM 0 H SER A 95 -2.903 10.316 3.023 1.00 0.00 H new ATOM 0 HA SER A 95 -5.593 9.392 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.016 11.760 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.506 11.397 4.726 1.00 0.00 H new ATOM 0 HG SER A 95 -3.967 13.099 3.455 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.802 10.193 1.467 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.347 10.339 0.124 1.00 0.00 C ATOM 1451 C LYS A 96 -6.768 11.607 -0.519 1.00 0.00 C ATOM 1452 O LYS A 96 -6.349 11.581 -1.671 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.881 10.348 0.173 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.473 10.298 -1.240 1.00 0.00 C ATOM 1455 CD LYS A 96 -11.003 10.214 -1.182 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.608 10.118 -2.589 1.00 0.00 C ATOM 1457 NZ LYS A 96 -11.331 11.323 -3.392 1.00 0.00 N ATOM 0 H LYS A 96 -7.497 10.142 2.212 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.059 9.490 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.236 9.494 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.227 11.246 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.173 11.185 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.076 9.436 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.300 9.344 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.399 11.092 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.205 9.242 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.686 9.974 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.827 11.254 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.662 12.165 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.308 11.400 -3.560 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.719 12.706 0.239 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.176 13.974 -0.224 1.00 0.00 C ATOM 1473 C GLY A 97 -4.721 13.842 -0.677 1.00 0.00 C ATOM 1474 O GLY A 97 -4.394 14.152 -1.823 1.00 0.00 O ATOM 0 H GLY A 97 -7.060 12.735 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.781 14.347 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.241 14.711 0.577 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.833 13.377 0.209 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.425 13.244 -0.133 1.00 0.00 C ATOM 1480 C GLN A 98 -2.242 12.286 -1.310 1.00 0.00 C ATOM 1481 O GLN A 98 -1.411 12.534 -2.181 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.608 12.827 1.095 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.219 14.001 2.007 1.00 0.00 C ATOM 1484 CD GLN A 98 -2.383 14.902 2.416 1.00 0.00 C ATOM 1485 OE1 GLN A 98 -3.044 14.655 3.419 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -2.647 15.957 1.651 1.00 0.00 N ATOM 0 H GLN A 98 -4.068 13.090 1.159 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.046 14.215 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.182 12.104 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.702 12.321 0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.750 13.604 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.470 14.607 1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.082 16.140 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.415 16.583 1.893 1.00 0.00 H new ATOM 1495 N LEU A 99 -3.017 11.201 -1.361 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.934 10.261 -2.467 1.00 0.00 C ATOM 1497 C LEU A 99 -3.357 10.946 -3.770 1.00 0.00 C ATOM 1498 O LEU A 99 -2.614 10.885 -4.747 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.730 9.001 -2.118 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.766 7.906 -3.195 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.388 7.438 -3.681 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.466 6.695 -2.576 1.00 0.00 C ATOM 0 H LEU A 99 -3.705 10.957 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.907 9.935 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.313 8.573 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.755 9.294 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.275 8.328 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.513 6.665 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.847 8.282 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.824 7.034 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.515 5.889 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.907 6.359 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.476 6.973 -2.275 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.502 11.638 -3.789 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.947 12.391 -4.961 1.00 0.00 C ATOM 1516 C LYS A 100 -3.828 13.333 -5.418 1.00 0.00 C ATOM 1517 O LYS A 100 -3.472 13.347 -6.593 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.222 13.194 -4.646 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.495 12.338 -4.548 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.043 11.861 -5.902 1.00 0.00 C ATOM 1521 CE LYS A 100 -8.616 12.967 -6.800 1.00 0.00 C ATOM 1522 NZ LYS A 100 -9.815 13.586 -6.210 1.00 0.00 N ATOM 0 H LYS A 100 -5.141 11.690 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.180 11.689 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.081 13.725 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.363 13.949 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.286 11.467 -3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.268 12.914 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.243 11.354 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.823 11.122 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.856 13.731 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.865 12.550 -7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.182 14.316 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.543 12.859 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.568 14.021 -5.298 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.263 14.108 -4.487 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.174 15.036 -4.772 1.00 0.00 C ATOM 1538 C GLU A 101 -0.987 14.301 -5.414 1.00 0.00 C ATOM 1539 O GLU A 101 -0.534 14.675 -6.494 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.770 15.747 -3.473 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.880 16.685 -2.970 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.823 16.936 -1.464 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.728 16.768 -0.881 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.888 17.278 -0.908 1.00 0.00 O ATOM 0 H GLU A 101 -3.553 14.106 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.507 15.786 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.545 15.005 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.858 16.319 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.805 17.638 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.850 16.257 -3.224 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.491 13.253 -4.751 1.00 0.00 N ATOM 1552 CA PHE A 102 0.628 12.430 -5.203 1.00 0.00 C ATOM 1553 C PHE A 102 0.397 11.923 -6.631 1.00 0.00 C ATOM 1554 O PHE A 102 1.237 12.107 -7.515 1.00 0.00 O ATOM 1555 CB PHE A 102 0.816 11.272 -4.208 1.00 0.00 C ATOM 1556 CG PHE A 102 1.826 10.202 -4.588 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.192 10.376 -4.292 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.377 8.958 -5.073 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.088 9.297 -4.423 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.274 7.885 -5.216 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.624 8.045 -4.865 1.00 0.00 C ATOM 0 H PHE A 102 -0.872 12.946 -3.856 1.00 0.00 H new ATOM 0 HA PHE A 102 1.540 13.027 -5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.112 11.694 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.151 10.790 -4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.553 11.339 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.338 8.828 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.133 9.431 -4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.924 6.937 -5.596 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.304 7.209 -4.934 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.752 11.284 -6.862 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.095 10.746 -8.168 1.00 0.00 C ATOM 1573 C LEU A 103 -1.182 11.871 -9.196 1.00 0.00 C ATOM 1574 O LEU A 103 -0.540 11.795 -10.239 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.408 9.964 -8.096 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.332 8.735 -7.178 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.727 8.132 -7.064 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.324 7.684 -7.647 1.00 0.00 C ATOM 0 H LEU A 103 -1.464 11.129 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.310 10.058 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.198 10.626 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.687 9.643 -9.099 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.973 9.067 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.693 7.257 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.409 8.870 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.078 7.837 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.323 6.845 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.601 7.332 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.328 8.126 -7.683 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.957 12.919 -8.905 1.00 0.00 N ATOM 1591 CA ASP A 104 -2.124 14.063 -9.793 1.00 0.00 C ATOM 1592 C ASP A 104 -0.768 14.626 -10.215 1.00 0.00 C ATOM 1593 O ASP A 104 -0.514 14.804 -11.404 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.972 15.142 -9.111 1.00 0.00 C ATOM 1595 CG ASP A 104 -3.172 16.334 -10.038 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -4.076 16.234 -10.896 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.419 17.318 -9.876 1.00 0.00 O ATOM 0 H ASP A 104 -2.489 12.994 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.643 13.730 -10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.940 14.727 -8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.485 15.467 -8.192 1.00 0.00 H new ATOM 1602 N ALA A 105 0.107 14.889 -9.240 1.00 0.00 N ATOM 1603 CA ALA A 105 1.442 15.417 -9.479 1.00 0.00 C ATOM 1604 C ALA A 105 2.234 14.534 -10.446 1.00 0.00 C ATOM 1605 O ALA A 105 2.988 15.044 -11.273 1.00 0.00 O ATOM 1606 CB ALA A 105 2.182 15.564 -8.147 1.00 0.00 C ATOM 0 H ALA A 105 -0.100 14.737 -8.253 1.00 0.00 H new ATOM 0 HA ALA A 105 1.345 16.397 -9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.182 15.959 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.633 16.247 -7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.259 14.590 -7.664 1.00 0.00 H new ATOM 1612 N ASN A 106 2.059 13.212 -10.360 1.00 0.00 N ATOM 1613 CA ASN A 106 2.774 12.275 -11.218 1.00 0.00 C ATOM 1614 C ASN A 106 2.136 12.224 -12.602 1.00 0.00 C ATOM 1615 O ASN A 106 2.843 12.257 -13.606 1.00 0.00 O ATOM 1616 CB ASN A 106 2.769 10.876 -10.597 1.00 0.00 C ATOM 1617 CG ASN A 106 3.919 10.693 -9.618 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.966 10.178 -9.992 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.733 11.090 -8.363 1.00 0.00 N ATOM 0 H ASN A 106 1.422 12.768 -9.698 1.00 0.00 H new ATOM 0 HA ASN A 106 3.804 12.619 -11.316 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.823 10.709 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.839 10.127 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.476 10.970 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.847 11.515 -8.088 1.00 0.00 H new ATOM 1626 N LEU A 107 0.804 12.145 -12.671 1.00 0.00 N ATOM 1627 CA LEU A 107 0.076 12.118 -13.929 1.00 0.00 C ATOM 1628 C LEU A 107 0.407 13.380 -14.727 1.00 0.00 C ATOM 1629 O LEU A 107 0.736 13.306 -15.909 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.428 12.003 -13.644 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.835 10.619 -13.107 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.226 10.707 -12.469 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.860 9.566 -14.223 1.00 0.00 C ATOM 0 H LEU A 107 0.203 12.098 -11.848 1.00 0.00 H new ATOM 0 HA LEU A 107 0.371 11.254 -14.524 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.714 12.766 -12.920 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.982 12.209 -14.560 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.095 10.316 -12.366 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.514 9.727 -12.089 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.205 11.423 -11.648 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.949 11.033 -13.216 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.151 8.602 -13.807 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.578 9.863 -14.988 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.869 9.484 -14.668 1.00 0.00 H new ATOM 1645 N ALA A 108 0.353 14.542 -14.070 1.00 0.00 N ATOM 1646 CA ALA A 108 0.693 15.817 -14.678 1.00 0.00 C ATOM 1647 C ALA A 108 2.148 15.792 -15.146 1.00 0.00 C ATOM 1648 O ALA A 108 2.594 16.705 -15.840 1.00 0.00 O ATOM 1649 CB ALA A 108 0.456 16.943 -13.667 1.00 0.00 C ATOM 0 H ALA A 108 0.069 14.617 -13.093 1.00 0.00 H new ATOM 0 HA ALA A 108 0.060 15.996 -15.547 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.711 17.900 -14.122 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.593 16.950 -13.370 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.081 16.781 -12.789 1.00 0.00 H new