USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 612 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 Single : A 1 MET CE :methyl -140:sc= -1.61 (180deg=-3.84!) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.912 K(o=-0.91,f=-2.4!) USER MOD Single : A 9 SER OG : rot -113:sc= 1.16 USER MOD Single : A 20 THR OG1 : rot 49:sc= 0.844 USER MOD Single : A 22 MET CE :methyl 157:sc= 0 (180deg=-0.0573) USER MOD Single : A 23 CYS SG : rot -21:sc= -1.68 USER MOD Single : A 24 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.2) USER MOD Single : A 31 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 41:sc= 1.53 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 41:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.439 (180deg=-1.46!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-1.3) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -14:sc= 1.31 USER MOD Single : A 59 THR OG1 : rot -113:sc= -1.29 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 153:sc= -0.109 (180deg=-0.554) USER MOD Single : A 68 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -109:sc= -1.11 USER MOD Single : A 75 HIS : no HD1:sc=-0.00307 X(o=-0.0031,f=-0.0031) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.403 7.762 -6.465 1.00 0.00 N ATOM 2 CA MET A 1 -4.899 6.536 -5.787 1.00 0.00 C ATOM 3 C MET A 1 -4.913 6.710 -4.272 1.00 0.00 C ATOM 4 O MET A 1 -4.440 7.719 -3.749 1.00 0.00 O ATOM 5 CB MET A 1 -3.994 5.365 -6.177 1.00 0.00 C ATOM 6 CG MET A 1 -4.753 4.081 -6.474 1.00 0.00 C ATOM 7 SD MET A 1 -5.927 4.266 -7.829 1.00 0.00 S ATOM 8 CE MET A 1 -7.448 4.544 -6.926 1.00 0.00 C ATOM 0 H1 MET A 1 -4.340 7.591 -7.489 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.059 8.548 -6.285 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.462 8.006 -6.096 1.00 0.00 H new ATOM 0 HA MET A 1 -5.924 6.341 -6.103 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.411 5.644 -7.055 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.285 5.180 -5.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.042 3.292 -6.719 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.286 3.763 -5.578 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.263 4.008 -7.413 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.336 4.183 -5.904 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.673 5.611 -6.911 1.00 0.00 H new ATOM 20 N ARG A 2 -5.458 5.720 -3.573 1.00 0.00 N ATOM 21 CA ARG A 2 -5.533 5.764 -2.117 1.00 0.00 C ATOM 22 C ARG A 2 -4.883 4.530 -1.500 1.00 0.00 C ATOM 23 O ARG A 2 -4.710 3.510 -2.164 1.00 0.00 O ATOM 24 CB ARG A 2 -6.992 5.863 -1.664 1.00 0.00 C ATOM 25 CG ARG A 2 -7.747 7.023 -2.293 1.00 0.00 C ATOM 26 CD ARG A 2 -8.628 6.558 -3.441 1.00 0.00 C ATOM 27 NE ARG A 2 -9.878 7.312 -3.512 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.931 7.078 -2.731 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.892 6.113 -1.822 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.027 7.814 -2.862 1.00 0.00 N ATOM 0 H ARG A 2 -5.854 4.878 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.991 6.647 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.504 4.932 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.021 5.967 -0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.361 7.511 -1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.037 7.766 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.086 6.665 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.850 5.498 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.948 8.062 -4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.052 5.544 -1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.702 5.940 -1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.062 8.557 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.835 7.637 -2.265 1.00 0.00 H new ATOM 44 N ILE A 3 -4.527 4.632 -0.224 1.00 0.00 N ATOM 45 CA ILE A 3 -3.896 3.527 0.493 1.00 0.00 C ATOM 46 C ILE A 3 -4.717 2.247 0.386 1.00 0.00 C ATOM 47 O ILE A 3 -4.185 1.145 0.523 1.00 0.00 O ATOM 48 CB ILE A 3 -3.689 3.878 1.980 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.882 2.786 2.688 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.029 4.085 2.671 1.00 0.00 C ATOM 51 CD1 ILE A 3 -1.756 2.212 1.856 1.00 0.00 C ATOM 0 H ILE A 3 -4.665 5.472 0.338 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.926 3.359 0.025 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.125 4.809 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.467 3.196 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.556 1.979 2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.863 4.332 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.566 4.901 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.619 3.171 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.234 1.446 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.164 1.770 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.058 3.006 1.592 1.00 0.00 H new ATOM 63 N ASP A 4 -6.012 2.393 0.141 1.00 0.00 N ATOM 64 CA ASP A 4 -6.890 1.238 0.019 1.00 0.00 C ATOM 65 C ASP A 4 -6.677 0.532 -1.318 1.00 0.00 C ATOM 66 O ASP A 4 -6.509 -0.681 -1.364 1.00 0.00 O ATOM 67 CB ASP A 4 -8.353 1.660 0.162 1.00 0.00 C ATOM 68 CG ASP A 4 -8.717 2.807 -0.762 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.999 2.545 -1.950 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.722 3.965 -0.296 1.00 0.00 O ATOM 0 H ASP A 4 -6.475 3.294 0.023 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.644 0.541 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.997 0.807 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.544 1.954 1.194 1.00 0.00 H new ATOM 75 N LYS A 5 -6.693 1.300 -2.400 1.00 0.00 N ATOM 76 CA LYS A 5 -6.505 0.744 -3.738 1.00 0.00 C ATOM 77 C LYS A 5 -5.031 0.739 -4.156 1.00 0.00 C ATOM 78 O LYS A 5 -4.691 0.251 -5.233 1.00 0.00 O ATOM 79 CB LYS A 5 -7.326 1.539 -4.755 1.00 0.00 C ATOM 80 CG LYS A 5 -8.677 0.917 -5.069 1.00 0.00 C ATOM 81 CD LYS A 5 -9.047 1.097 -6.535 1.00 0.00 C ATOM 82 CE LYS A 5 -10.437 1.689 -6.694 1.00 0.00 C ATOM 83 NZ LYS A 5 -10.905 1.637 -8.106 1.00 0.00 N ATOM 0 H LYS A 5 -6.834 2.310 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.847 -0.291 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.480 2.549 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.754 1.630 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.655 -0.145 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.443 1.372 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.317 1.747 -7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.001 0.134 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.137 1.146 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.432 2.724 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.857 2.050 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.251 2.176 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.934 0.648 -8.426 1.00 0.00 H new ATOM 97 N PHE A 6 -4.164 1.307 -3.321 1.00 0.00 N ATOM 98 CA PHE A 6 -2.740 1.388 -3.637 1.00 0.00 C ATOM 99 C PHE A 6 -1.997 0.083 -3.352 1.00 0.00 C ATOM 100 O PHE A 6 -1.561 -0.603 -4.276 1.00 0.00 O ATOM 101 CB PHE A 6 -2.091 2.530 -2.855 1.00 0.00 C ATOM 102 CG PHE A 6 -0.663 2.787 -3.246 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.365 3.541 -4.369 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.379 2.272 -2.492 1.00 0.00 C ATOM 105 CE1 PHE A 6 0.948 3.779 -4.732 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.693 2.506 -2.850 1.00 0.00 C ATOM 107 CZ PHE A 6 1.978 3.260 -3.972 1.00 0.00 C ATOM 0 H PHE A 6 -4.421 1.717 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.665 1.578 -4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.671 3.440 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.132 2.301 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.167 3.947 -4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.162 1.681 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.168 4.370 -5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.496 2.100 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.004 3.443 -4.254 1.00 0.00 H new ATOM 117 N LEU A 7 -1.830 -0.240 -2.074 1.00 0.00 N ATOM 118 CA LEU A 7 -1.108 -1.448 -1.683 1.00 0.00 C ATOM 119 C LEU A 7 -1.957 -2.704 -1.843 1.00 0.00 C ATOM 120 O LEU A 7 -1.453 -3.821 -1.726 1.00 0.00 O ATOM 121 CB LEU A 7 -0.605 -1.321 -0.243 1.00 0.00 C ATOM 122 CG LEU A 7 -1.686 -1.152 0.826 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.421 -2.464 1.060 1.00 0.00 C ATOM 124 CD2 LEU A 7 -1.071 -0.650 2.124 1.00 0.00 C ATOM 0 H LEU A 7 -2.182 0.314 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.255 -1.550 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.019 -2.208 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.071 -0.468 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.407 -0.415 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.185 -2.322 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.892 -2.788 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.713 -3.223 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.852 -0.534 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.331 -1.368 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.589 0.312 1.950 1.00 0.00 H new ATOM 136 N GLN A 8 -3.242 -2.523 -2.113 1.00 0.00 N ATOM 137 CA GLN A 8 -4.146 -3.650 -2.290 1.00 0.00 C ATOM 138 C GLN A 8 -4.204 -4.086 -3.752 1.00 0.00 C ATOM 139 O GLN A 8 -4.481 -5.247 -4.052 1.00 0.00 O ATOM 140 CB GLN A 8 -5.539 -3.279 -1.794 1.00 0.00 C ATOM 141 CG GLN A 8 -5.574 -2.916 -0.319 1.00 0.00 C ATOM 142 CD GLN A 8 -6.981 -2.881 0.243 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.907 -3.449 -0.336 1.00 0.00 O ATOM 144 NE2 GLN A 8 -7.150 -2.211 1.377 1.00 0.00 N ATOM 0 H GLN A 8 -3.681 -1.608 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.767 -4.488 -1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.913 -2.437 -2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.215 -4.115 -1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.981 -3.638 0.242 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.107 -1.941 -0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.354 -1.755 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.076 -2.153 1.802 1.00 0.00 H new ATOM 153 N SER A 9 -3.946 -3.147 -4.659 1.00 0.00 N ATOM 154 CA SER A 9 -3.974 -3.436 -6.088 1.00 0.00 C ATOM 155 C SER A 9 -2.586 -3.809 -6.601 1.00 0.00 C ATOM 156 O SER A 9 -2.449 -4.620 -7.516 1.00 0.00 O ATOM 157 CB SER A 9 -4.506 -2.229 -6.863 1.00 0.00 C ATOM 158 OG SER A 9 -5.866 -1.981 -6.550 1.00 0.00 O ATOM 0 H SER A 9 -3.715 -2.180 -4.429 1.00 0.00 H new ATOM 0 HA SER A 9 -4.639 -4.286 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.909 -1.349 -6.626 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.402 -2.406 -7.934 1.00 0.00 H new ATOM 0 HG SER A 9 -6.420 -2.155 -7.339 1.00 0.00 H new ATOM 164 N VAL A 10 -1.558 -3.209 -6.008 1.00 0.00 N ATOM 165 CA VAL A 10 -0.180 -3.475 -6.407 1.00 0.00 C ATOM 166 C VAL A 10 0.133 -4.966 -6.360 1.00 0.00 C ATOM 167 O VAL A 10 0.973 -5.459 -7.114 1.00 0.00 O ATOM 168 CB VAL A 10 0.820 -2.729 -5.504 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.702 -1.226 -5.702 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.601 -3.103 -4.046 1.00 0.00 C ATOM 0 H VAL A 10 -1.654 -2.535 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.077 -3.117 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 10 1.830 -3.028 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.417 -0.717 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.913 -0.978 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.309 -0.904 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.316 -2.567 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.413 -2.834 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.743 -4.176 -3.920 1.00 0.00 H new ATOM 180 N GLY A 11 -0.544 -5.681 -5.468 1.00 0.00 N ATOM 181 CA GLY A 11 -0.320 -7.108 -5.337 1.00 0.00 C ATOM 182 C GLY A 11 0.210 -7.484 -3.968 1.00 0.00 C ATOM 183 O GLY A 11 1.043 -8.381 -3.840 1.00 0.00 O ATOM 0 H GLY A 11 -1.244 -5.297 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.254 -7.638 -5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.387 -7.434 -6.100 1.00 0.00 H new ATOM 187 N LEU A 12 -0.276 -6.794 -2.941 1.00 0.00 N ATOM 188 CA LEU A 12 0.150 -7.056 -1.572 1.00 0.00 C ATOM 189 C LEU A 12 -0.973 -7.716 -0.780 1.00 0.00 C ATOM 190 O LEU A 12 -0.740 -8.645 -0.007 1.00 0.00 O ATOM 191 CB LEU A 12 0.579 -5.752 -0.894 1.00 0.00 C ATOM 192 CG LEU A 12 2.023 -5.724 -0.396 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.389 -4.332 0.099 1.00 0.00 C ATOM 194 CD2 LEU A 12 2.226 -6.755 0.704 1.00 0.00 C ATOM 0 H LEU A 12 -0.966 -6.048 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 12 1.001 -7.736 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.438 -4.932 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.084 -5.565 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 12 2.681 -5.976 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.421 -4.330 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.282 -3.616 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.727 -4.051 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.260 -6.722 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.559 -6.534 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.004 -7.749 0.316 1.00 0.00 H new ATOM 206 N VAL A 13 -2.191 -7.228 -0.984 1.00 0.00 N ATOM 207 CA VAL A 13 -3.356 -7.768 -0.295 1.00 0.00 C ATOM 208 C VAL A 13 -4.161 -8.680 -1.216 1.00 0.00 C ATOM 209 O VAL A 13 -5.293 -8.365 -1.587 1.00 0.00 O ATOM 210 CB VAL A 13 -4.268 -6.641 0.227 1.00 0.00 C ATOM 211 CG1 VAL A 13 -5.385 -7.213 1.085 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.458 -5.617 1.007 1.00 0.00 C ATOM 0 H VAL A 13 -2.397 -6.459 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.988 -8.347 0.552 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.719 -6.138 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.019 -6.403 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.982 -7.905 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.956 -7.743 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.119 -4.829 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.977 -6.104 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.697 -5.184 0.358 1.00 0.00 H new ATOM 337 N THR A 20 -12.402 -3.149 3.490 1.00 0.00 N ATOM 338 CA THR A 20 -11.235 -2.470 4.040 1.00 0.00 C ATOM 339 C THR A 20 -11.047 -2.818 5.514 1.00 0.00 C ATOM 340 O THR A 20 -11.696 -2.240 6.386 1.00 0.00 O ATOM 341 CB THR A 20 -11.374 -0.956 3.875 1.00 0.00 C ATOM 342 OG1 THR A 20 -12.533 -0.485 4.539 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.463 -0.517 2.430 1.00 0.00 C ATOM 0 HA THR A 20 -10.357 -2.809 3.490 1.00 0.00 H new ATOM 0 HB THR A 20 -10.469 -0.533 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.557 -0.844 5.450 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.560 0.568 2.385 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.561 -0.823 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.332 -0.979 1.962 1.00 0.00 H new ATOM 351 N ASP A 21 -10.154 -3.765 5.784 1.00 0.00 N ATOM 352 CA ASP A 21 -9.879 -4.190 7.152 1.00 0.00 C ATOM 353 C ASP A 21 -8.623 -3.512 7.691 1.00 0.00 C ATOM 354 O ASP A 21 -8.481 -3.316 8.898 1.00 0.00 O ATOM 355 CB ASP A 21 -9.718 -5.710 7.213 1.00 0.00 C ATOM 356 CG ASP A 21 -11.051 -6.432 7.214 1.00 0.00 C ATOM 357 OD1 ASP A 21 -11.748 -6.394 6.179 1.00 0.00 O ATOM 358 OD2 ASP A 21 -11.397 -7.038 8.250 1.00 0.00 O ATOM 0 H ASP A 21 -9.608 -4.253 5.073 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.724 -3.895 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.127 -6.045 6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.162 -5.978 8.111 1.00 0.00 H new ATOM 363 N MET A 22 -7.714 -3.154 6.788 1.00 0.00 N ATOM 364 CA MET A 22 -6.467 -2.498 7.169 1.00 0.00 C ATOM 365 C MET A 22 -6.737 -1.269 8.037 1.00 0.00 C ATOM 366 O MET A 22 -6.177 -1.129 9.124 1.00 0.00 O ATOM 367 CB MET A 22 -5.679 -2.097 5.920 1.00 0.00 C ATOM 368 CG MET A 22 -4.232 -2.568 5.938 1.00 0.00 C ATOM 369 SD MET A 22 -3.736 -3.353 4.392 1.00 0.00 S ATOM 370 CE MET A 22 -3.715 -5.076 4.881 1.00 0.00 C ATOM 0 H MET A 22 -7.818 -3.308 5.785 1.00 0.00 H new ATOM 0 HA MET A 22 -5.876 -3.204 7.752 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.175 -2.506 5.040 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.698 -1.012 5.821 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.580 -1.717 6.134 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.093 -3.272 6.759 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.834 -5.706 3.999 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.766 -5.305 5.366 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.533 -5.267 5.576 1.00 0.00 H new ATOM 380 N CYS A 23 -7.599 -0.384 7.548 1.00 0.00 N ATOM 381 CA CYS A 23 -7.945 0.831 8.278 1.00 0.00 C ATOM 382 C CYS A 23 -8.492 0.502 9.666 1.00 0.00 C ATOM 383 O CYS A 23 -8.444 1.333 10.573 1.00 0.00 O ATOM 384 CB CYS A 23 -8.974 1.645 7.490 1.00 0.00 C ATOM 385 SG CYS A 23 -9.515 3.158 8.320 1.00 0.00 S ATOM 0 H CYS A 23 -8.071 -0.485 6.649 1.00 0.00 H new ATOM 0 HA CYS A 23 -7.037 1.422 8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.548 1.908 6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.845 1.019 7.296 1.00 0.00 H new ATOM 0 HG CYS A 23 -9.287 3.058 9.596 1.00 0.00 H new ATOM 391 N ASN A 24 -9.011 -0.711 9.826 1.00 0.00 N ATOM 392 CA ASN A 24 -9.565 -1.142 11.104 1.00 0.00 C ATOM 393 C ASN A 24 -8.482 -1.742 11.994 1.00 0.00 C ATOM 394 O ASN A 24 -8.269 -1.294 13.120 1.00 0.00 O ATOM 395 CB ASN A 24 -10.683 -2.162 10.880 1.00 0.00 C ATOM 396 CG ASN A 24 -11.849 -1.959 11.827 1.00 0.00 C ATOM 397 OD1 ASN A 24 -11.727 -1.275 12.843 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.990 -2.554 11.498 1.00 0.00 N ATOM 0 H ASN A 24 -9.059 -1.412 9.087 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.976 -0.267 11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.037 -2.089 9.852 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.284 -3.168 11.009 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.809 -2.453 12.097 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.047 -3.112 10.646 1.00 0.00 H new ATOM 405 N VAL A 25 -7.800 -2.761 11.480 1.00 0.00 N ATOM 406 CA VAL A 25 -6.738 -3.426 12.227 1.00 0.00 C ATOM 407 C VAL A 25 -5.648 -2.439 12.639 1.00 0.00 C ATOM 408 O VAL A 25 -4.940 -2.658 13.622 1.00 0.00 O ATOM 409 CB VAL A 25 -6.104 -4.565 11.406 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.142 -5.623 11.069 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.462 -4.019 10.139 1.00 0.00 C ATOM 0 H VAL A 25 -7.964 -3.144 10.549 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.197 -3.845 13.122 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.325 -5.031 12.010 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.675 -6.419 10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.551 -6.038 11.990 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.945 -5.172 10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.020 -4.839 9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.220 -3.525 9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.686 -3.301 10.405 1.00 0.00 H new ATOM 421 N GLY A 26 -5.517 -1.356 11.880 1.00 0.00 N ATOM 422 CA GLY A 26 -4.509 -0.357 12.182 1.00 0.00 C ATOM 423 C GLY A 26 -3.221 -0.587 11.419 1.00 0.00 C ATOM 424 O GLY A 26 -2.151 -0.716 12.015 1.00 0.00 O ATOM 0 H GLY A 26 -6.091 -1.152 11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.899 0.632 11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.301 -0.367 13.252 1.00 0.00 H new ATOM 428 N ALA A 27 -3.325 -0.645 10.095 1.00 0.00 N ATOM 429 CA ALA A 27 -2.162 -0.866 9.244 1.00 0.00 C ATOM 430 C ALA A 27 -1.921 0.321 8.320 1.00 0.00 C ATOM 431 O ALA A 27 -0.777 0.697 8.062 1.00 0.00 O ATOM 432 CB ALA A 27 -2.343 -2.142 8.434 1.00 0.00 C ATOM 0 H ALA A 27 -4.204 -0.542 9.588 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.287 -0.973 9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.469 -2.298 7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.458 -2.989 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.232 -2.053 7.809 1.00 0.00 H new ATOM 438 N VAL A 28 -3.003 0.907 7.820 1.00 0.00 N ATOM 439 CA VAL A 28 -2.911 2.047 6.924 1.00 0.00 C ATOM 440 C VAL A 28 -2.245 3.238 7.605 1.00 0.00 C ATOM 441 O VAL A 28 -2.786 3.807 8.553 1.00 0.00 O ATOM 442 CB VAL A 28 -4.305 2.461 6.426 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.938 1.345 5.608 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.197 2.851 7.595 1.00 0.00 C ATOM 0 H VAL A 28 -3.957 0.608 8.023 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.299 1.742 6.075 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.194 3.331 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.924 1.659 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.308 1.123 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.036 0.452 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.179 3.141 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.301 2.003 8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.750 3.689 8.130 1.00 0.00 H new ATOM 454 N TRP A 29 -1.069 3.610 7.113 1.00 0.00 N ATOM 455 CA TRP A 29 -0.326 4.735 7.669 1.00 0.00 C ATOM 456 C TRP A 29 0.377 5.515 6.564 1.00 0.00 C ATOM 457 O TRP A 29 1.350 5.041 5.978 1.00 0.00 O ATOM 458 CB TRP A 29 0.699 4.244 8.692 1.00 0.00 C ATOM 459 CG TRP A 29 0.119 4.019 10.056 1.00 0.00 C ATOM 460 CD1 TRP A 29 -0.816 3.088 10.405 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.438 4.738 11.253 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.100 3.185 11.745 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.343 4.191 12.288 1.00 0.00 C ATOM 464 CE3 TRP A 29 1.307 5.792 11.550 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.279 4.661 13.598 1.00 0.00 C ATOM 466 CZ3 TRP A 29 1.369 6.258 12.850 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.580 5.693 13.859 1.00 0.00 C ATOM 0 H TRP A 29 -0.609 3.148 6.329 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.035 5.397 8.167 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.140 3.313 8.335 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.507 4.973 8.764 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.267 2.379 9.727 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -1.766 2.603 12.254 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.919 6.234 10.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.885 4.226 14.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.037 7.071 13.091 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.651 6.080 14.865 1.00 0.00 H new ATOM 478 N LEU A 30 -0.124 6.712 6.284 1.00 0.00 N ATOM 479 CA LEU A 30 0.455 7.558 5.246 1.00 0.00 C ATOM 480 C LEU A 30 1.455 8.547 5.838 1.00 0.00 C ATOM 481 O LEU A 30 1.112 9.344 6.711 1.00 0.00 O ATOM 482 CB LEU A 30 -0.648 8.315 4.502 1.00 0.00 C ATOM 483 CG LEU A 30 -0.165 9.180 3.338 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.207 9.214 2.229 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.151 10.590 3.817 1.00 0.00 C ATOM 0 H LEU A 30 -0.929 7.119 6.760 1.00 0.00 H new ATOM 0 HA LEU A 30 0.984 6.914 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.371 7.593 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.175 8.951 5.213 1.00 0.00 H new ATOM 0 HG LEU A 30 0.748 8.739 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.846 9.835 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.386 8.202 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.137 9.630 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.493 11.192 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.746 11.039 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.932 10.550 4.576 1.00 0.00 H new ATOM 497 N ASN A 31 2.692 8.491 5.354 1.00 0.00 N ATOM 498 CA ASN A 31 3.745 9.382 5.830 1.00 0.00 C ATOM 499 C ASN A 31 3.891 9.296 7.347 1.00 0.00 C ATOM 500 O ASN A 31 3.975 10.315 8.033 1.00 0.00 O ATOM 501 CB ASN A 31 3.447 10.824 5.409 1.00 0.00 C ATOM 502 CG ASN A 31 4.656 11.510 4.805 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.561 12.161 3.765 1.00 0.00 O ATOM 504 ND2 ASN A 31 5.805 11.366 5.456 1.00 0.00 N ATOM 0 H ASN A 31 2.990 7.836 4.631 1.00 0.00 H new ATOM 0 HA ASN A 31 4.686 9.067 5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.631 10.828 4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.107 11.390 6.276 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.653 11.804 5.097 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.839 10.817 6.315 1.00 0.00 H new ATOM 511 N GLY A 32 3.923 8.073 7.866 1.00 0.00 N ATOM 512 CA GLY A 32 4.059 7.877 9.297 1.00 0.00 C ATOM 513 C GLY A 32 2.880 8.431 10.073 1.00 0.00 C ATOM 514 O GLY A 32 3.015 8.797 11.241 1.00 0.00 O ATOM 0 H GLY A 32 3.857 7.214 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.160 6.812 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.975 8.358 9.641 1.00 0.00 H new ATOM 518 N SER A 33 1.722 8.492 9.424 1.00 0.00 N ATOM 519 CA SER A 33 0.515 9.004 10.061 1.00 0.00 C ATOM 520 C SER A 33 -0.677 8.098 9.772 1.00 0.00 C ATOM 521 O SER A 33 -0.809 7.561 8.671 1.00 0.00 O ATOM 522 CB SER A 33 0.220 10.424 9.576 1.00 0.00 C ATOM 523 OG SER A 33 -0.820 11.017 10.337 1.00 0.00 O ATOM 0 H SER A 33 1.594 8.193 8.457 1.00 0.00 H new ATOM 0 HA SER A 33 0.682 9.023 11.138 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.122 11.032 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.063 10.401 8.524 1.00 0.00 H new ATOM 0 HG SER A 33 -0.989 11.925 10.009 1.00 0.00 H new ATOM 529 N CYS A 34 -1.543 7.931 10.766 1.00 0.00 N ATOM 530 CA CYS A 34 -2.724 7.089 10.618 1.00 0.00 C ATOM 531 C CYS A 34 -3.607 7.582 9.476 1.00 0.00 C ATOM 532 O CYS A 34 -4.047 8.732 9.471 1.00 0.00 O ATOM 533 CB CYS A 34 -3.522 7.061 11.924 1.00 0.00 C ATOM 534 SG CYS A 34 -3.246 5.583 12.926 1.00 0.00 S ATOM 0 H CYS A 34 -1.449 8.368 11.683 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.392 6.078 10.382 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.264 7.940 12.514 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.584 7.135 11.690 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.982 5.279 12.912 1.00 0.00 H new ATOM 540 N ALA A 35 -3.861 6.705 8.512 1.00 0.00 N ATOM 541 CA ALA A 35 -4.692 7.051 7.364 1.00 0.00 C ATOM 542 C ALA A 35 -6.041 6.343 7.432 1.00 0.00 C ATOM 543 O ALA A 35 -6.382 5.731 8.445 1.00 0.00 O ATOM 544 CB ALA A 35 -3.974 6.701 6.070 1.00 0.00 C ATOM 0 H ALA A 35 -3.504 5.750 8.502 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.873 8.126 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.605 6.964 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.038 7.256 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.764 5.632 6.048 1.00 0.00 H new ATOM 550 N LYS A 36 -6.805 6.429 6.349 1.00 0.00 N ATOM 551 CA LYS A 36 -8.116 5.796 6.286 1.00 0.00 C ATOM 552 C LYS A 36 -8.225 4.891 5.062 1.00 0.00 C ATOM 553 O LYS A 36 -7.226 4.598 4.404 1.00 0.00 O ATOM 554 CB LYS A 36 -9.218 6.858 6.250 1.00 0.00 C ATOM 555 CG LYS A 36 -10.446 6.487 7.064 1.00 0.00 C ATOM 556 CD LYS A 36 -11.732 6.902 6.362 1.00 0.00 C ATOM 557 CE LYS A 36 -12.683 5.727 6.198 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.731 5.707 7.255 1.00 0.00 N ATOM 0 H LYS A 36 -6.538 6.931 5.502 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.240 5.185 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.816 7.800 6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.515 7.026 5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.457 5.411 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.394 6.967 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.222 7.690 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.495 7.319 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.157 5.778 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.118 4.796 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.358 4.891 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.280 5.632 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.288 6.584 7.209 1.00 0.00 H new ATOM 572 N ALA A 37 -9.443 4.450 4.761 1.00 0.00 N ATOM 573 CA ALA A 37 -9.680 3.579 3.616 1.00 0.00 C ATOM 574 C ALA A 37 -10.119 4.381 2.394 1.00 0.00 C ATOM 575 O ALA A 37 -10.812 3.864 1.518 1.00 0.00 O ATOM 576 CB ALA A 37 -10.722 2.527 3.961 1.00 0.00 C ATOM 0 H ALA A 37 -10.281 4.682 5.295 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.742 3.080 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.889 1.884 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.368 1.926 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.656 3.017 4.235 1.00 0.00 H new ATOM 582 N SER A 38 -9.714 5.646 2.342 1.00 0.00 N ATOM 583 CA SER A 38 -10.066 6.517 1.228 1.00 0.00 C ATOM 584 C SER A 38 -9.174 7.754 1.201 1.00 0.00 C ATOM 585 O SER A 38 -9.597 8.827 0.768 1.00 0.00 O ATOM 586 CB SER A 38 -11.534 6.938 1.327 1.00 0.00 C ATOM 587 OG SER A 38 -12.364 6.079 0.563 1.00 0.00 O ATOM 0 H SER A 38 -9.141 6.090 3.060 1.00 0.00 H new ATOM 0 HA SER A 38 -9.915 5.960 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.851 6.922 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.646 7.964 0.976 1.00 0.00 H new ATOM 0 HG SER A 38 -12.070 5.151 0.679 1.00 0.00 H new ATOM 593 N LYS A 39 -7.941 7.599 1.667 1.00 0.00 N ATOM 594 CA LYS A 39 -6.993 8.705 1.696 1.00 0.00 C ATOM 595 C LYS A 39 -6.160 8.741 0.418 1.00 0.00 C ATOM 596 O LYS A 39 -5.446 7.789 0.104 1.00 0.00 O ATOM 597 CB LYS A 39 -6.076 8.588 2.914 1.00 0.00 C ATOM 598 CG LYS A 39 -6.718 9.061 4.208 1.00 0.00 C ATOM 599 CD LYS A 39 -6.952 10.562 4.196 1.00 0.00 C ATOM 600 CE LYS A 39 -7.084 11.117 5.605 1.00 0.00 C ATOM 601 NZ LYS A 39 -5.982 10.652 6.491 1.00 0.00 N ATOM 0 H LYS A 39 -7.575 6.719 2.030 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.559 9.634 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.770 7.548 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.171 9.168 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.667 8.545 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.078 8.798 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.125 11.056 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.856 10.786 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.084 12.206 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.042 10.812 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.847 11.335 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.225 9.722 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.103 10.574 5.940 1.00 0.00 H new ATOM 615 N GLU A 40 -6.258 9.846 -0.314 1.00 0.00 N ATOM 616 CA GLU A 40 -5.514 10.006 -1.558 1.00 0.00 C ATOM 617 C GLU A 40 -4.017 10.112 -1.290 1.00 0.00 C ATOM 618 O GLU A 40 -3.549 11.087 -0.700 1.00 0.00 O ATOM 619 CB GLU A 40 -5.999 11.247 -2.310 1.00 0.00 C ATOM 620 CG GLU A 40 -7.313 11.040 -3.043 1.00 0.00 C ATOM 621 CD GLU A 40 -8.246 12.228 -2.916 1.00 0.00 C ATOM 622 OE1 GLU A 40 -8.986 12.298 -1.912 1.00 0.00 O ATOM 623 OE2 GLU A 40 -8.236 13.090 -3.820 1.00 0.00 O ATOM 0 H GLU A 40 -6.845 10.643 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.691 9.124 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.113 12.069 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.236 11.548 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.111 10.853 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.807 10.151 -2.651 1.00 0.00 H new ATOM 630 N VAL A 41 -3.269 9.105 -1.727 1.00 0.00 N ATOM 631 CA VAL A 41 -1.824 9.086 -1.534 1.00 0.00 C ATOM 632 C VAL A 41 -1.116 9.875 -2.630 1.00 0.00 C ATOM 633 O VAL A 41 -1.756 10.427 -3.524 1.00 0.00 O ATOM 634 CB VAL A 41 -1.277 7.646 -1.520 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.796 6.889 -0.307 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.645 6.923 -2.807 1.00 0.00 C ATOM 0 H VAL A 41 -3.640 8.291 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.627 9.550 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.190 7.690 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.399 5.874 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.477 7.397 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.885 6.853 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.250 5.907 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.730 6.888 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.219 7.455 -3.658 1.00 0.00 H new ATOM 646 N LYS A 42 0.210 9.924 -2.555 1.00 0.00 N ATOM 647 CA LYS A 42 1.005 10.647 -3.542 1.00 0.00 C ATOM 648 C LYS A 42 2.320 9.925 -3.815 1.00 0.00 C ATOM 649 O LYS A 42 2.665 8.961 -3.132 1.00 0.00 O ATOM 650 CB LYS A 42 1.281 12.072 -3.060 1.00 0.00 C ATOM 651 CG LYS A 42 0.157 13.048 -3.367 1.00 0.00 C ATOM 652 CD LYS A 42 0.106 13.390 -4.848 1.00 0.00 C ATOM 653 CE LYS A 42 -1.189 14.102 -5.212 1.00 0.00 C ATOM 654 NZ LYS A 42 -0.948 15.268 -6.106 1.00 0.00 N ATOM 0 H LYS A 42 0.757 9.472 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 42 0.436 10.690 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.452 12.055 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.200 12.432 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.795 12.617 -3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.297 13.960 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.955 14.023 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.198 12.477 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.863 13.401 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.687 14.438 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.854 15.726 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.325 15.949 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.496 14.944 -6.985 1.00 0.00 H new ATOM 668 N ALA A 43 3.051 10.398 -4.820 1.00 0.00 N ATOM 669 CA ALA A 43 4.329 9.798 -5.183 1.00 0.00 C ATOM 670 C ALA A 43 5.422 10.199 -4.200 1.00 0.00 C ATOM 671 O ALA A 43 5.302 11.201 -3.495 1.00 0.00 O ATOM 672 CB ALA A 43 4.715 10.198 -6.599 1.00 0.00 C ATOM 0 H ALA A 43 2.780 11.194 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 43 4.220 8.714 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.671 9.743 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.950 9.855 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.801 11.283 -6.660 1.00 0.00 H new ATOM 678 N GLY A 44 6.490 9.408 -4.157 1.00 0.00 N ATOM 679 CA GLY A 44 7.591 9.695 -3.256 1.00 0.00 C ATOM 680 C GLY A 44 7.150 9.769 -1.806 1.00 0.00 C ATOM 681 O GLY A 44 7.764 10.467 -0.999 1.00 0.00 O ATOM 0 H GLY A 44 6.612 8.573 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.354 8.923 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.053 10.640 -3.541 1.00 0.00 H new ATOM 685 N ASP A 45 6.082 9.049 -1.478 1.00 0.00 N ATOM 686 CA ASP A 45 5.558 9.037 -0.117 1.00 0.00 C ATOM 687 C ASP A 45 5.878 7.716 0.575 1.00 0.00 C ATOM 688 O ASP A 45 6.435 6.804 -0.033 1.00 0.00 O ATOM 689 CB ASP A 45 4.046 9.266 -0.128 1.00 0.00 C ATOM 690 CG ASP A 45 3.575 10.071 1.067 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.856 9.657 2.211 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.923 11.116 0.858 1.00 0.00 O ATOM 0 H ASP A 45 5.563 8.467 -2.135 1.00 0.00 H new ATOM 0 HA ASP A 45 6.036 9.844 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.766 9.785 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.535 8.303 -0.138 1.00 0.00 H new ATOM 697 N THR A 46 5.523 7.623 1.853 1.00 0.00 N ATOM 698 CA THR A 46 5.772 6.415 2.629 1.00 0.00 C ATOM 699 C THR A 46 4.480 5.639 2.860 1.00 0.00 C ATOM 700 O THR A 46 3.403 6.226 2.974 1.00 0.00 O ATOM 701 CB THR A 46 6.413 6.772 3.971 1.00 0.00 C ATOM 702 OG1 THR A 46 7.624 7.480 3.775 1.00 0.00 O ATOM 703 CG2 THR A 46 6.722 5.563 4.827 1.00 0.00 C ATOM 0 H THR A 46 5.062 8.370 2.372 1.00 0.00 H new ATOM 0 HA THR A 46 6.456 5.783 2.062 1.00 0.00 H new ATOM 0 HB THR A 46 5.676 7.385 4.489 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.018 7.701 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.175 5.887 5.764 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.800 5.021 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.414 4.909 4.297 1.00 0.00 H new ATOM 711 N ILE A 47 4.594 4.317 2.930 1.00 0.00 N ATOM 712 CA ILE A 47 3.437 3.459 3.150 1.00 0.00 C ATOM 713 C ILE A 47 3.729 2.414 4.222 1.00 0.00 C ATOM 714 O ILE A 47 4.367 1.397 3.955 1.00 0.00 O ATOM 715 CB ILE A 47 3.012 2.746 1.851 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.807 3.765 0.728 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.742 1.938 2.077 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.656 4.715 0.976 1.00 0.00 C ATOM 0 H ILE A 47 5.478 3.816 2.837 1.00 0.00 H new ATOM 0 HA ILE A 47 2.622 4.101 3.484 1.00 0.00 H new ATOM 0 HB ILE A 47 3.806 2.061 1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.723 4.342 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.633 3.233 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.457 1.442 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.919 1.190 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.939 2.603 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.570 5.409 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.730 4.148 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.837 5.274 1.894 1.00 0.00 H new ATOM 730 N SER A 48 3.258 2.676 5.438 1.00 0.00 N ATOM 731 CA SER A 48 3.471 1.761 6.552 1.00 0.00 C ATOM 732 C SER A 48 2.420 0.655 6.559 1.00 0.00 C ATOM 733 O SER A 48 1.317 0.829 6.040 1.00 0.00 O ATOM 734 CB SER A 48 3.440 2.524 7.878 1.00 0.00 C ATOM 735 OG SER A 48 4.696 2.464 8.531 1.00 0.00 O ATOM 0 H SER A 48 2.727 3.514 5.676 1.00 0.00 H new ATOM 0 HA SER A 48 4.451 1.301 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.171 3.564 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.670 2.104 8.525 1.00 0.00 H new ATOM 0 HG SER A 48 4.650 2.961 9.375 1.00 0.00 H new ATOM 741 N LEU A 49 2.771 -0.481 7.152 1.00 0.00 N ATOM 742 CA LEU A 49 1.861 -1.618 7.230 1.00 0.00 C ATOM 743 C LEU A 49 2.057 -2.376 8.539 1.00 0.00 C ATOM 744 O LEU A 49 3.178 -2.741 8.894 1.00 0.00 O ATOM 745 CB LEU A 49 2.080 -2.557 6.043 1.00 0.00 C ATOM 746 CG LEU A 49 1.221 -2.256 4.812 1.00 0.00 C ATOM 747 CD1 LEU A 49 1.993 -1.403 3.818 1.00 0.00 C ATOM 748 CD2 LEU A 49 0.755 -3.548 4.158 1.00 0.00 C ATOM 0 H LEU A 49 3.680 -0.639 7.586 1.00 0.00 H new ATOM 0 HA LEU A 49 0.839 -1.240 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.130 -2.514 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.880 -3.579 6.366 1.00 0.00 H new ATOM 0 HG LEU A 49 0.342 -1.697 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.366 -1.199 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.277 -0.462 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.890 -1.935 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.146 -3.315 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.622 -4.133 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.163 -4.123 4.870 1.00 0.00 H new ATOM 760 N HIS A 50 0.961 -2.609 9.254 1.00 0.00 N ATOM 761 CA HIS A 50 1.017 -3.321 10.526 1.00 0.00 C ATOM 762 C HIS A 50 0.881 -4.825 10.317 1.00 0.00 C ATOM 763 O HIS A 50 -0.067 -5.292 9.684 1.00 0.00 O ATOM 764 CB HIS A 50 -0.081 -2.821 11.465 1.00 0.00 C ATOM 765 CG HIS A 50 0.203 -3.082 12.910 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.579 -4.317 13.394 1.00 0.00 N ATOM 767 CD2 HIS A 50 0.168 -2.256 13.983 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.761 -4.241 14.700 1.00 0.00 C ATOM 769 NE2 HIS A 50 0.518 -3.001 15.082 1.00 0.00 N ATOM 0 H HIS A 50 0.025 -2.316 8.975 1.00 0.00 H new ATOM 0 HA HIS A 50 1.988 -3.124 10.980 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.214 -1.749 11.317 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.023 -3.299 11.196 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.088 -1.207 13.975 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.058 -5.055 15.345 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.580 -2.653 16.039 1.00 0.00 H new ATOM 778 N TYR A 51 1.834 -5.578 10.854 1.00 0.00 N ATOM 779 CA TYR A 51 1.825 -7.031 10.730 1.00 0.00 C ATOM 780 C TYR A 51 2.114 -7.691 12.075 1.00 0.00 C ATOM 781 O TYR A 51 2.223 -7.016 13.098 1.00 0.00 O ATOM 782 CB TYR A 51 2.856 -7.479 9.691 1.00 0.00 C ATOM 783 CG TYR A 51 2.325 -7.475 8.275 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.955 -6.287 7.658 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.195 -8.656 7.557 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.468 -6.277 6.366 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.709 -8.654 6.263 1.00 0.00 C ATOM 788 CZ TYR A 51 1.347 -7.463 5.672 1.00 0.00 C ATOM 789 OH TYR A 51 0.863 -7.456 4.384 1.00 0.00 O ATOM 0 H TYR A 51 2.624 -5.206 11.380 1.00 0.00 H new ATOM 0 HA TYR A 51 0.833 -7.341 10.401 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.725 -6.823 9.747 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.198 -8.484 9.940 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.050 -5.356 8.197 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.478 -9.591 8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.183 -5.345 5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.613 -9.581 5.718 1.00 0.00 H new ATOM 0 HH TYR A 51 0.842 -8.372 4.037 1.00 0.00 H new ATOM 799 N LEU A 52 2.237 -9.015 12.066 1.00 0.00 N ATOM 800 CA LEU A 52 2.514 -9.763 13.288 1.00 0.00 C ATOM 801 C LEU A 52 4.005 -10.067 13.415 1.00 0.00 C ATOM 802 O LEU A 52 4.523 -10.222 14.521 1.00 0.00 O ATOM 803 CB LEU A 52 1.708 -11.068 13.327 1.00 0.00 C ATOM 804 CG LEU A 52 1.286 -11.627 11.965 1.00 0.00 C ATOM 805 CD1 LEU A 52 0.993 -13.117 12.068 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.071 -10.877 11.434 1.00 0.00 C ATOM 0 H LEU A 52 2.150 -9.591 11.229 1.00 0.00 H new ATOM 0 HA LEU A 52 2.212 -9.142 14.131 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.300 -11.824 13.842 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.812 -10.903 13.925 1.00 0.00 H new ATOM 0 HG LEU A 52 2.109 -11.487 11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.695 -13.498 11.091 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.888 -13.641 12.404 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.187 -13.281 12.783 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.215 -11.287 10.466 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.758 -10.986 12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.316 -9.821 11.323 1.00 0.00 H new ATOM 818 N LYS A 53 4.690 -10.148 12.279 1.00 0.00 N ATOM 819 CA LYS A 53 6.121 -10.431 12.268 1.00 0.00 C ATOM 820 C LYS A 53 6.930 -9.144 12.409 1.00 0.00 C ATOM 821 O LYS A 53 8.060 -9.160 12.899 1.00 0.00 O ATOM 822 CB LYS A 53 6.512 -11.156 10.980 1.00 0.00 C ATOM 823 CG LYS A 53 6.306 -10.322 9.725 1.00 0.00 C ATOM 824 CD LYS A 53 7.475 -10.464 8.763 1.00 0.00 C ATOM 825 CE LYS A 53 7.654 -11.904 8.309 1.00 0.00 C ATOM 826 NZ LYS A 53 7.102 -12.130 6.944 1.00 0.00 N ATOM 0 H LYS A 53 4.278 -10.022 11.355 1.00 0.00 H new ATOM 0 HA LYS A 53 6.345 -11.075 13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.560 -11.450 11.042 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.928 -12.072 10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.386 -10.631 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.184 -9.274 9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.312 -9.826 7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.389 -10.118 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.714 -12.158 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.160 -12.571 9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.244 -13.124 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.085 -11.912 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.591 -11.512 6.265 1.00 0.00 H new ATOM 840 N GLY A 54 6.346 -8.031 11.976 1.00 0.00 N ATOM 841 CA GLY A 54 7.028 -6.753 12.064 1.00 0.00 C ATOM 842 C GLY A 54 6.400 -5.699 11.173 1.00 0.00 C ATOM 843 O GLY A 54 5.807 -6.021 10.143 1.00 0.00 O ATOM 0 H GLY A 54 5.413 -7.991 11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.013 -6.407 13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.074 -6.883 11.787 1.00 0.00 H new ATOM 847 N ILE A 55 6.530 -4.437 11.569 1.00 0.00 N ATOM 848 CA ILE A 55 5.970 -3.333 10.798 1.00 0.00 C ATOM 849 C ILE A 55 6.776 -3.087 9.529 1.00 0.00 C ATOM 850 O ILE A 55 8.005 -3.014 9.567 1.00 0.00 O ATOM 851 CB ILE A 55 5.927 -2.031 11.623 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.355 -2.299 13.017 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.103 -0.976 10.901 1.00 0.00 C ATOM 854 CD1 ILE A 55 3.977 -2.923 12.996 1.00 0.00 C ATOM 0 H ILE A 55 7.018 -4.154 12.419 1.00 0.00 H new ATOM 0 HA ILE A 55 4.952 -3.619 10.533 1.00 0.00 H new ATOM 0 HB ILE A 55 6.945 -1.657 11.736 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.034 -2.957 13.559 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.311 -1.360 13.569 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.081 -0.062 11.495 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.551 -0.767 9.929 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.086 -1.342 10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.635 -3.084 14.018 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.284 -2.257 12.482 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.018 -3.878 12.472 1.00 0.00 H new ATOM 866 N GLU A 56 6.080 -2.958 8.405 1.00 0.00 N ATOM 867 CA GLU A 56 6.735 -2.718 7.125 1.00 0.00 C ATOM 868 C GLU A 56 6.446 -1.308 6.622 1.00 0.00 C ATOM 869 O GLU A 56 5.289 -0.907 6.496 1.00 0.00 O ATOM 870 CB GLU A 56 6.274 -3.744 6.089 1.00 0.00 C ATOM 871 CG GLU A 56 6.549 -5.183 6.494 1.00 0.00 C ATOM 872 CD GLU A 56 6.680 -6.108 5.300 1.00 0.00 C ATOM 873 OE1 GLU A 56 5.686 -6.270 4.562 1.00 0.00 O ATOM 874 OE2 GLU A 56 7.778 -6.673 5.105 1.00 0.00 O ATOM 0 H GLU A 56 5.063 -3.016 8.354 1.00 0.00 H new ATOM 0 HA GLU A 56 7.810 -2.820 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.204 -3.621 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.773 -3.540 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.466 -5.222 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.743 -5.537 7.136 1.00 0.00 H new ATOM 881 N GLU A 57 7.506 -0.563 6.336 1.00 0.00 N ATOM 882 CA GLU A 57 7.372 0.804 5.844 1.00 0.00 C ATOM 883 C GLU A 57 7.853 0.913 4.402 1.00 0.00 C ATOM 884 O GLU A 57 9.049 1.047 4.144 1.00 0.00 O ATOM 885 CB GLU A 57 8.161 1.768 6.731 1.00 0.00 C ATOM 886 CG GLU A 57 7.688 3.209 6.637 1.00 0.00 C ATOM 887 CD GLU A 57 7.929 3.986 7.916 1.00 0.00 C ATOM 888 OE1 GLU A 57 7.756 3.401 9.006 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.288 5.178 7.829 1.00 0.00 O ATOM 0 H GLU A 57 8.470 -0.882 6.436 1.00 0.00 H new ATOM 0 HA GLU A 57 6.316 1.073 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.088 1.437 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.215 1.722 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.203 3.704 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.624 3.224 6.402 1.00 0.00 H new ATOM 896 N TYR A 58 6.914 0.855 3.462 1.00 0.00 N ATOM 897 CA TYR A 58 7.245 0.947 2.046 1.00 0.00 C ATOM 898 C TYR A 58 7.395 2.403 1.617 1.00 0.00 C ATOM 899 O TYR A 58 7.240 3.319 2.425 1.00 0.00 O ATOM 900 CB TYR A 58 6.172 0.261 1.200 1.00 0.00 C ATOM 901 CG TYR A 58 6.055 -1.225 1.455 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.476 -1.704 2.623 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.522 -2.146 0.527 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.366 -3.061 2.860 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.416 -3.505 0.756 1.00 0.00 C ATOM 906 CZ TYR A 58 5.838 -3.958 1.923 1.00 0.00 C ATOM 907 OH TYR A 58 5.730 -5.310 2.154 1.00 0.00 O ATOM 0 H TYR A 58 5.919 0.745 3.656 1.00 0.00 H new ATOM 0 HA TYR A 58 8.197 0.440 1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.209 0.732 1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.395 0.423 0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.106 -1.005 3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.975 -1.795 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.913 -3.418 3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.784 -4.209 0.024 1.00 0.00 H new ATOM 0 HH TYR A 58 5.508 -5.464 3.096 1.00 0.00 H new ATOM 917 N THR A 59 7.696 2.608 0.340 1.00 0.00 N ATOM 918 CA THR A 59 7.868 3.952 -0.199 1.00 0.00 C ATOM 919 C THR A 59 7.334 4.038 -1.625 1.00 0.00 C ATOM 920 O THR A 59 7.775 3.302 -2.508 1.00 0.00 O ATOM 921 CB THR A 59 9.345 4.350 -0.171 1.00 0.00 C ATOM 922 OG1 THR A 59 9.848 4.311 1.153 1.00 0.00 O ATOM 923 CG2 THR A 59 9.605 5.735 -0.720 1.00 0.00 C ATOM 0 H THR A 59 7.826 1.861 -0.342 1.00 0.00 H new ATOM 0 HA THR A 59 7.301 4.642 0.425 1.00 0.00 H new ATOM 0 HB THR A 59 9.851 3.625 -0.809 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.068 5.220 1.446 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.672 5.952 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.273 5.784 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.057 6.469 -0.129 1.00 0.00 H new ATOM 931 N ILE A 60 6.385 4.942 -1.844 1.00 0.00 N ATOM 932 CA ILE A 60 5.795 5.122 -3.165 1.00 0.00 C ATOM 933 C ILE A 60 6.747 5.874 -4.089 1.00 0.00 C ATOM 934 O ILE A 60 7.212 6.965 -3.763 1.00 0.00 O ATOM 935 CB ILE A 60 4.460 5.888 -3.088 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.579 5.316 -1.976 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.739 5.828 -4.428 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.248 6.023 -1.835 1.00 0.00 C ATOM 0 H ILE A 60 6.009 5.560 -1.125 1.00 0.00 H new ATOM 0 HA ILE A 60 5.608 4.126 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 60 4.670 6.932 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.401 4.259 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.116 5.378 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.798 6.373 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.364 6.279 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.538 4.788 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.676 5.565 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.417 7.075 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.691 5.939 -2.768 1.00 0.00 H new ATOM 950 N LEU A 61 7.032 5.281 -5.243 1.00 0.00 N ATOM 951 CA LEU A 61 7.930 5.894 -6.215 1.00 0.00 C ATOM 952 C LEU A 61 7.147 6.600 -7.321 1.00 0.00 C ATOM 953 O LEU A 61 7.694 7.430 -8.045 1.00 0.00 O ATOM 954 CB LEU A 61 8.852 4.835 -6.822 1.00 0.00 C ATOM 955 CG LEU A 61 9.890 4.254 -5.859 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.667 3.129 -6.526 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.835 5.344 -5.376 1.00 0.00 C ATOM 0 H LEU A 61 6.655 4.377 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 61 8.532 6.639 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.240 4.020 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.373 5.273 -7.673 1.00 0.00 H new ATOM 0 HG LEU A 61 9.367 3.843 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.400 2.728 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.979 2.338 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.180 3.514 -7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.567 4.914 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.351 5.783 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.266 6.117 -4.859 1.00 0.00 H new ATOM 969 N GLN A 62 5.864 6.267 -7.445 1.00 0.00 N ATOM 970 CA GLN A 62 5.012 6.874 -8.461 1.00 0.00 C ATOM 971 C GLN A 62 3.584 6.349 -8.360 1.00 0.00 C ATOM 972 O GLN A 62 3.351 5.245 -7.868 1.00 0.00 O ATOM 973 CB GLN A 62 5.575 6.598 -9.859 1.00 0.00 C ATOM 974 CG GLN A 62 6.212 7.817 -10.509 1.00 0.00 C ATOM 975 CD GLN A 62 5.955 7.883 -12.001 1.00 0.00 C ATOM 976 OE1 GLN A 62 6.385 7.008 -12.756 1.00 0.00 O ATOM 977 NE2 GLN A 62 5.254 8.922 -12.436 1.00 0.00 N ATOM 0 H GLN A 62 5.394 5.581 -6.855 1.00 0.00 H new ATOM 0 HA GLN A 62 4.995 7.950 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.317 5.802 -9.792 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.772 6.233 -10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.825 8.720 -10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.287 7.800 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.918 9.623 -11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.051 9.020 -13.431 1.00 0.00 H new ATOM 986 N ILE A 63 2.630 7.147 -8.829 1.00 0.00 N ATOM 987 CA ILE A 63 1.224 6.763 -8.791 1.00 0.00 C ATOM 988 C ILE A 63 0.656 6.624 -10.201 1.00 0.00 C ATOM 989 O ILE A 63 0.135 7.585 -10.766 1.00 0.00 O ATOM 990 CB ILE A 63 0.382 7.789 -8.009 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.035 8.096 -6.660 1.00 0.00 C ATOM 992 CG2 ILE A 63 -1.035 7.272 -7.814 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.085 6.905 -5.728 1.00 0.00 C ATOM 0 H ILE A 63 2.805 8.064 -9.240 1.00 0.00 H new ATOM 0 HA ILE A 63 1.172 5.800 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 63 0.334 8.713 -8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.049 8.457 -6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.487 8.904 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.618 8.008 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.497 7.101 -8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.007 6.336 -7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.561 7.196 -4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.072 6.557 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.659 6.103 -6.193 1.00 0.00 H new ATOM 1005 N PRO A 64 0.748 5.419 -10.790 1.00 0.00 N ATOM 1006 CA PRO A 64 0.239 5.160 -12.141 1.00 0.00 C ATOM 1007 C PRO A 64 -1.285 5.211 -12.213 1.00 0.00 C ATOM 1008 O PRO A 64 -1.862 5.221 -13.300 1.00 0.00 O ATOM 1009 CB PRO A 64 0.741 3.746 -12.446 1.00 0.00 C ATOM 1010 CG PRO A 64 0.927 3.112 -11.111 1.00 0.00 C ATOM 1011 CD PRO A 64 1.354 4.216 -10.186 1.00 0.00 C ATOM 0 HA PRO A 64 0.580 5.912 -12.852 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.022 3.193 -13.050 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.676 3.770 -13.006 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.002 2.649 -10.766 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.680 2.325 -11.154 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.994 4.051 -9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.440 4.297 -10.131 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.932 5.242 -11.052 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.387 5.292 -10.990 1.00 0.00 C ATOM 1021 C ALA A 65 -4.006 4.058 -11.643 1.00 0.00 C ATOM 1022 O ALA A 65 -4.819 4.169 -12.559 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.900 6.560 -11.658 1.00 0.00 C ATOM 0 H ALA A 65 -1.471 5.233 -10.142 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.683 5.303 -9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.988 6.585 -11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.492 7.432 -11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.588 6.573 -12.702 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.611 2.884 -11.163 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.125 1.628 -11.700 1.00 0.00 C ATOM 1031 C LEU A 66 -5.057 0.948 -10.703 1.00 0.00 C ATOM 1032 O LEU A 66 -5.130 1.340 -9.538 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.970 0.690 -12.054 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.794 1.357 -12.771 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -0.729 0.327 -13.119 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -2.272 2.075 -14.025 1.00 0.00 C ATOM 0 H LEU A 66 -2.938 2.775 -10.404 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.692 1.855 -12.603 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.603 0.228 -11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.353 -0.112 -12.685 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.354 2.094 -12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.100 0.819 -13.628 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.366 -0.144 -12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.157 -0.433 -13.773 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.423 2.544 -14.522 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.737 1.357 -14.701 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.999 2.840 -13.752 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.769 -0.073 -11.168 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.697 -0.810 -10.317 1.00 0.00 C ATOM 1050 C LYS A 67 -6.118 -2.167 -9.926 1.00 0.00 C ATOM 1051 O LYS A 67 -6.434 -2.703 -8.863 1.00 0.00 O ATOM 1052 CB LYS A 67 -8.036 -1.001 -11.034 1.00 0.00 C ATOM 1053 CG LYS A 67 -9.171 -1.399 -10.105 1.00 0.00 C ATOM 1054 CD LYS A 67 -10.350 -1.967 -10.880 1.00 0.00 C ATOM 1055 CE LYS A 67 -10.344 -3.487 -10.869 1.00 0.00 C ATOM 1056 NZ LYS A 67 -10.525 -4.033 -9.495 1.00 0.00 N ATOM 0 H LYS A 67 -5.721 -0.409 -12.130 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.858 -0.229 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.302 -0.074 -11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.922 -1.765 -11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.814 -2.139 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.495 -0.531 -9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.281 -1.603 -10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.316 -1.609 -11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.140 -3.858 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.403 -3.849 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.962 -4.975 -9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.600 -4.108 -9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.140 -3.398 -8.947 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.271 -2.717 -10.790 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.649 -4.011 -10.532 1.00 0.00 C ATOM 1072 C ASN A 68 -3.284 -4.104 -11.207 1.00 0.00 C ATOM 1073 O ASN A 68 -3.187 -4.110 -12.435 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.555 -5.141 -11.026 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.600 -6.309 -10.061 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -5.344 -6.154 -8.867 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -5.926 -7.490 -10.575 1.00 0.00 N ATOM 0 H ASN A 68 -5.000 -2.287 -11.674 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.508 -4.111 -9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.564 -4.756 -11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.201 -5.489 -11.997 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.972 -8.313 -9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.131 -7.574 -11.571 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.233 -4.176 -10.397 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.872 -4.268 -10.914 1.00 0.00 C ATOM 1086 C VAL A 69 -0.195 -5.556 -10.450 1.00 0.00 C ATOM 1087 O VAL A 69 -0.305 -5.936 -9.285 1.00 0.00 O ATOM 1088 CB VAL A 69 -0.023 -3.063 -10.468 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.332 -3.077 -11.158 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.757 -1.761 -10.746 1.00 0.00 C ATOM 0 H VAL A 69 -2.298 -4.172 -9.379 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.943 -4.270 -12.002 1.00 0.00 H new ATOM 0 HB VAL A 69 0.143 -3.138 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.917 -2.218 -10.829 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.861 -3.995 -10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.191 -3.028 -12.238 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.142 -0.921 -10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.956 -1.677 -11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.700 -1.751 -10.199 1.00 0.00 H new ATOM 1100 N PRO A 70 0.517 -6.251 -11.357 1.00 0.00 N ATOM 1101 CA PRO A 70 1.209 -7.502 -11.026 1.00 0.00 C ATOM 1102 C PRO A 70 2.342 -7.292 -10.027 1.00 0.00 C ATOM 1103 O PRO A 70 2.776 -6.164 -9.793 1.00 0.00 O ATOM 1104 CB PRO A 70 1.765 -7.977 -12.372 1.00 0.00 C ATOM 1105 CG PRO A 70 1.846 -6.748 -13.209 1.00 0.00 C ATOM 1106 CD PRO A 70 0.704 -5.876 -12.771 1.00 0.00 C ATOM 0 HA PRO A 70 0.540 -8.220 -10.552 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.745 -8.439 -12.254 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.114 -8.723 -12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.801 -6.241 -13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.768 -6.991 -14.269 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.941 -4.818 -12.879 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.194 -6.063 -13.359 1.00 0.00 H new ATOM 1114 N ARG A 71 2.814 -8.386 -9.439 1.00 0.00 N ATOM 1115 CA ARG A 71 3.896 -8.324 -8.463 1.00 0.00 C ATOM 1116 C ARG A 71 5.254 -8.474 -9.145 1.00 0.00 C ATOM 1117 O ARG A 71 6.075 -9.298 -8.742 1.00 0.00 O ATOM 1118 CB ARG A 71 3.716 -9.416 -7.407 1.00 0.00 C ATOM 1119 CG ARG A 71 4.645 -9.267 -6.214 1.00 0.00 C ATOM 1120 CD ARG A 71 3.980 -9.734 -4.929 1.00 0.00 C ATOM 1121 NE ARG A 71 4.888 -9.665 -3.786 1.00 0.00 N ATOM 1122 CZ ARG A 71 5.857 -10.547 -3.556 1.00 0.00 C ATOM 1123 NH1 ARG A 71 6.051 -11.564 -4.386 1.00 0.00 N ATOM 1124 NH2 ARG A 71 6.638 -10.411 -2.492 1.00 0.00 N ATOM 0 H ARG A 71 2.464 -9.327 -9.621 1.00 0.00 H new ATOM 0 HA ARG A 71 3.862 -7.349 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.684 -9.405 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.885 -10.388 -7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.554 -9.844 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.944 -8.224 -6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.101 -9.120 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.631 -10.759 -5.053 1.00 0.00 H new ATOM 0 HE ARG A 71 4.772 -8.896 -3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.455 -11.673 -5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.796 -12.236 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.495 -9.631 -1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.381 -11.087 -2.315 1.00 0.00 H new ATOM 1138 N LYS A 72 5.484 -7.670 -10.176 1.00 0.00 N ATOM 1139 CA LYS A 72 6.742 -7.711 -10.912 1.00 0.00 C ATOM 1140 C LYS A 72 7.189 -6.305 -11.303 1.00 0.00 C ATOM 1141 O LYS A 72 8.348 -5.936 -11.117 1.00 0.00 O ATOM 1142 CB LYS A 72 6.599 -8.579 -12.164 1.00 0.00 C ATOM 1143 CG LYS A 72 7.899 -8.763 -12.928 1.00 0.00 C ATOM 1144 CD LYS A 72 7.694 -9.588 -14.189 1.00 0.00 C ATOM 1145 CE LYS A 72 9.018 -9.929 -14.853 1.00 0.00 C ATOM 1146 NZ LYS A 72 8.922 -9.887 -16.338 1.00 0.00 N ATOM 0 H LYS A 72 4.816 -6.981 -10.522 1.00 0.00 H new ATOM 0 HA LYS A 72 7.500 -8.147 -10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.215 -9.558 -11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.859 -8.129 -12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.308 -7.788 -13.193 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.632 -9.253 -12.287 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.163 -10.507 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.067 -9.036 -14.888 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.783 -9.228 -14.519 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.337 -10.923 -14.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.846 -10.125 -16.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.210 -10.574 -16.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.643 -8.932 -16.641 1.00 0.00 H new ATOM 1160 N ASP A 73 6.260 -5.524 -11.844 1.00 0.00 N ATOM 1161 CA ASP A 73 6.554 -4.158 -12.258 1.00 0.00 C ATOM 1162 C ASP A 73 6.225 -3.165 -11.147 1.00 0.00 C ATOM 1163 O ASP A 73 6.761 -2.057 -11.113 1.00 0.00 O ATOM 1164 CB ASP A 73 5.766 -3.806 -13.522 1.00 0.00 C ATOM 1165 CG ASP A 73 6.515 -4.169 -14.790 1.00 0.00 C ATOM 1166 OD1 ASP A 73 7.512 -3.487 -15.107 1.00 0.00 O ATOM 1167 OD2 ASP A 73 6.103 -5.136 -15.465 1.00 0.00 O ATOM 0 H ASP A 73 5.296 -5.815 -12.006 1.00 0.00 H new ATOM 0 HA ASP A 73 7.621 -4.093 -12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.809 -4.327 -13.507 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.548 -2.738 -13.525 1.00 0.00 H new ATOM 1172 N THR A 74 5.340 -3.568 -10.239 1.00 0.00 N ATOM 1173 CA THR A 74 4.940 -2.713 -9.127 1.00 0.00 C ATOM 1174 C THR A 74 6.147 -2.293 -8.289 1.00 0.00 C ATOM 1175 O THR A 74 6.095 -1.297 -7.568 1.00 0.00 O ATOM 1176 CB THR A 74 3.920 -3.433 -8.244 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.438 -2.571 -7.230 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.477 -4.668 -7.569 1.00 0.00 C ATOM 0 H THR A 74 4.887 -4.482 -10.252 1.00 0.00 H new ATOM 0 HA THR A 74 4.484 -1.815 -9.544 1.00 0.00 H new ATOM 0 HB THR A 74 3.119 -3.737 -8.918 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.793 -2.856 -6.362 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.701 -5.130 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.813 -5.376 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.319 -4.388 -6.936 1.00 0.00 H new ATOM 1186 N HIS A 75 7.232 -3.058 -8.387 1.00 0.00 N ATOM 1187 CA HIS A 75 8.448 -2.760 -7.635 1.00 0.00 C ATOM 1188 C HIS A 75 8.948 -1.349 -7.922 1.00 0.00 C ATOM 1189 O HIS A 75 9.706 -0.777 -7.137 1.00 0.00 O ATOM 1190 CB HIS A 75 9.541 -3.777 -7.966 1.00 0.00 C ATOM 1191 CG HIS A 75 10.765 -3.636 -7.115 1.00 0.00 C ATOM 1192 ND1 HIS A 75 12.028 -3.453 -7.637 1.00 0.00 N ATOM 1193 CD2 HIS A 75 10.915 -3.650 -5.769 1.00 0.00 C ATOM 1194 CE1 HIS A 75 12.901 -3.363 -6.650 1.00 0.00 C ATOM 1195 NE2 HIS A 75 12.251 -3.477 -5.507 1.00 0.00 N ATOM 0 H HIS A 75 7.294 -3.887 -8.978 1.00 0.00 H new ATOM 0 HA HIS A 75 8.206 -2.825 -6.574 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.139 -4.783 -7.846 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.822 -3.669 -9.014 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.130 -3.774 -5.038 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.966 -3.220 -6.760 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.673 -3.442 -4.579 1.00 0.00 H new ATOM 1204 N LEU A 76 8.525 -0.793 -9.048 1.00 0.00 N ATOM 1205 CA LEU A 76 8.932 0.549 -9.438 1.00 0.00 C ATOM 1206 C LEU A 76 7.965 1.607 -8.906 1.00 0.00 C ATOM 1207 O LEU A 76 8.194 2.805 -9.072 1.00 0.00 O ATOM 1208 CB LEU A 76 9.017 0.631 -10.958 1.00 0.00 C ATOM 1209 CG LEU A 76 10.357 0.195 -11.551 1.00 0.00 C ATOM 1210 CD1 LEU A 76 10.161 -0.380 -12.946 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.330 1.364 -11.585 1.00 0.00 C ATOM 0 H LEU A 76 7.898 -1.252 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 76 9.911 0.750 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.228 0.012 -11.386 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.818 1.658 -11.264 1.00 0.00 H new ATOM 0 HG LEU A 76 10.779 -0.584 -10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.125 -0.685 -13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.499 -1.245 -12.893 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.718 0.377 -13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.279 1.036 -12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.916 2.165 -12.198 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.494 1.730 -10.572 1.00 0.00 H new ATOM 1223 N TYR A 77 6.886 1.162 -8.267 1.00 0.00 N ATOM 1224 CA TYR A 77 5.893 2.078 -7.715 1.00 0.00 C ATOM 1225 C TYR A 77 5.942 2.079 -6.190 1.00 0.00 C ATOM 1226 O TYR A 77 5.623 3.081 -5.550 1.00 0.00 O ATOM 1227 CB TYR A 77 4.492 1.693 -8.191 1.00 0.00 C ATOM 1228 CG TYR A 77 4.306 1.818 -9.687 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.666 2.981 -10.355 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.771 0.772 -10.428 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.498 3.098 -11.723 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.601 0.881 -11.796 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.966 2.046 -12.437 1.00 0.00 C ATOM 1234 OH TYR A 77 3.798 2.159 -13.798 1.00 0.00 O ATOM 0 H TYR A 77 6.678 0.175 -8.119 1.00 0.00 H new ATOM 0 HA TYR A 77 6.126 3.082 -8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.285 0.665 -7.892 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.760 2.325 -7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.084 3.807 -9.798 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.483 -0.141 -9.928 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.782 4.009 -12.229 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.185 0.059 -12.359 1.00 0.00 H new ATOM 0 HH TYR A 77 3.413 1.330 -14.150 1.00 0.00 H new ATOM 1244 N ILE A 78 6.342 0.950 -5.614 1.00 0.00 N ATOM 1245 CA ILE A 78 6.434 0.820 -4.165 1.00 0.00 C ATOM 1246 C ILE A 78 7.443 -0.257 -3.777 1.00 0.00 C ATOM 1247 O ILE A 78 7.485 -1.327 -4.382 1.00 0.00 O ATOM 1248 CB ILE A 78 5.063 0.482 -3.543 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.163 0.430 -2.017 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.542 -0.838 -4.091 1.00 0.00 C ATOM 1251 CD1 ILE A 78 3.845 0.142 -1.334 1.00 0.00 C ATOM 0 H ILE A 78 6.608 0.111 -6.130 1.00 0.00 H new ATOM 0 HA ILE A 78 6.768 1.782 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 78 4.358 1.269 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.884 -0.337 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.551 1.382 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.574 -1.062 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.432 -0.765 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.246 -1.635 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.992 0.120 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.126 0.922 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.465 -0.824 -1.668 1.00 0.00 H new ATOM 1263 N ALA A 79 8.255 0.037 -2.767 1.00 0.00 N ATOM 1264 CA ALA A 79 9.265 -0.906 -2.304 1.00 0.00 C ATOM 1265 C ALA A 79 9.502 -0.769 -0.801 1.00 0.00 C ATOM 1266 O ALA A 79 9.438 0.333 -0.254 1.00 0.00 O ATOM 1267 CB ALA A 79 10.567 -0.696 -3.062 1.00 0.00 C ATOM 0 H ALA A 79 8.233 0.919 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 79 8.899 -1.914 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.313 -1.407 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.397 -0.851 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.925 0.320 -2.896 1.00 0.00 H new ATOM 1273 N PRO A 80 9.781 -1.888 -0.109 1.00 0.00 N ATOM 1274 CA PRO A 80 10.029 -1.881 1.337 1.00 0.00 C ATOM 1275 C PRO A 80 11.198 -0.977 1.715 1.00 0.00 C ATOM 1276 O PRO A 80 12.322 -1.176 1.255 1.00 0.00 O ATOM 1277 CB PRO A 80 10.362 -3.342 1.660 1.00 0.00 C ATOM 1278 CG PRO A 80 9.787 -4.129 0.533 1.00 0.00 C ATOM 1279 CD PRO A 80 9.879 -3.245 -0.677 1.00 0.00 C ATOM 0 HA PRO A 80 9.173 -1.497 1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.439 -3.493 1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.928 -3.644 2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.340 -5.056 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.752 -4.405 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.817 -3.391 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.074 -3.445 -1.384 1.00 0.00 H new ATOM 1287 N LYS A 81 10.925 0.016 2.555 1.00 0.00 N ATOM 1288 CA LYS A 81 11.957 0.950 2.992 1.00 0.00 C ATOM 1289 C LYS A 81 11.979 1.065 4.513 1.00 0.00 C ATOM 1290 O LYS A 81 11.201 0.412 5.207 1.00 0.00 O ATOM 1291 CB LYS A 81 11.725 2.327 2.368 1.00 0.00 C ATOM 1292 CG LYS A 81 13.009 3.086 2.075 1.00 0.00 C ATOM 1293 CD LYS A 81 12.864 3.975 0.851 1.00 0.00 C ATOM 1294 CE LYS A 81 14.134 4.767 0.585 1.00 0.00 C ATOM 1295 NZ LYS A 81 14.154 5.340 -0.789 1.00 0.00 N ATOM 0 H LYS A 81 10.000 0.195 2.946 1.00 0.00 H new ATOM 0 HA LYS A 81 12.922 0.567 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.164 2.207 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.106 2.922 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.278 3.695 2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.823 2.379 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.627 3.363 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.029 4.661 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.219 5.572 1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.001 4.120 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.036 5.872 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.098 4.571 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.342 5.978 -0.911 1.00 0.00 H new