USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 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 Set 1.1: A 8 GLN : amide:sc= -1.65 X(o=-1.6,f=-1.9) USER MOD Set 1.2: A 20 THR OG1 : rot 36:sc= 0.048 USER MOD Single : A 1 MET CE :methyl -148:sc= -0.207 (180deg=-2.24) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 121:sc= 1.23 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot -87:sc= 1.03 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0707 K(o=-0.071,f=-3.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 69:sc= 0.0113 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0748 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.621 K(o=-0.62,f=-2) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 1.2 (180deg=0.319) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -70:sc= -0.936 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 LYS NZ :NH3+ 155:sc=-0.00542 (180deg=-0.377) USER MOD Single : A 68 ASN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -15:sc= -0.295! USER MOD Single : A 75 HIS :FLIP no HD1:sc= -2.98! C(o=-5.4!,f=-3!) 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 -5.134 7.494 -6.969 1.00 0.00 N ATOM 2 CA MET A 1 -5.031 6.203 -6.241 1.00 0.00 C ATOM 3 C MET A 1 -5.000 6.420 -4.731 1.00 0.00 C ATOM 4 O MET A 1 -4.769 7.533 -4.259 1.00 0.00 O ATOM 5 CB MET A 1 -3.759 5.487 -6.699 1.00 0.00 C ATOM 6 CG MET A 1 -3.948 3.995 -6.921 1.00 0.00 C ATOM 7 SD MET A 1 -3.617 3.493 -8.621 1.00 0.00 S ATOM 8 CE MET A 1 -1.826 3.480 -8.628 1.00 0.00 C ATOM 0 H1 MET A 1 -5.153 7.314 -7.993 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.008 7.983 -6.687 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.314 8.090 -6.737 1.00 0.00 H new ATOM 0 HA MET A 1 -5.907 5.595 -6.465 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.409 5.942 -7.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.978 5.639 -5.954 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.287 3.446 -6.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.969 3.720 -6.658 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.464 3.754 -9.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.454 4.196 -7.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.468 2.482 -8.374 1.00 0.00 H new ATOM 20 N ARG A 2 -5.234 5.350 -3.980 1.00 0.00 N ATOM 21 CA ARG A 2 -5.233 5.422 -2.524 1.00 0.00 C ATOM 22 C ARG A 2 -4.605 4.172 -1.917 1.00 0.00 C ATOM 23 O ARG A 2 -4.504 3.136 -2.571 1.00 0.00 O ATOM 24 CB ARG A 2 -6.659 5.592 -1.996 1.00 0.00 C ATOM 25 CG ARG A 2 -7.678 4.710 -2.700 1.00 0.00 C ATOM 26 CD ARG A 2 -8.400 5.464 -3.805 1.00 0.00 C ATOM 27 NE ARG A 2 -9.769 4.988 -3.989 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.697 5.648 -4.678 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.405 6.810 -5.251 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.917 5.146 -4.796 1.00 0.00 N ATOM 0 H ARG A 2 -5.427 4.422 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.638 6.288 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.672 5.367 -0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.956 6.635 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.177 3.838 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.404 4.342 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.415 6.528 -3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.849 5.353 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.029 4.098 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.467 7.200 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.119 7.312 -5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.146 4.253 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.628 5.652 -5.324 1.00 0.00 H new ATOM 44 N ILE A 3 -4.191 4.276 -0.657 1.00 0.00 N ATOM 45 CA ILE A 3 -3.579 3.153 0.047 1.00 0.00 C ATOM 46 C ILE A 3 -4.442 1.897 -0.048 1.00 0.00 C ATOM 47 O ILE A 3 -3.942 0.781 0.088 1.00 0.00 O ATOM 48 CB ILE A 3 -3.336 3.494 1.530 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.654 2.320 2.246 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.643 3.883 2.209 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.611 1.279 2.799 1.00 0.00 C ATOM 0 H ILE A 3 -4.268 5.128 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.622 2.959 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.666 4.351 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.971 1.834 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.050 2.711 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.453 4.121 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.067 4.755 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.346 3.052 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.044 0.487 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.279 1.747 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.198 0.855 1.984 1.00 0.00 H new ATOM 63 N ASP A 4 -5.736 2.084 -0.278 1.00 0.00 N ATOM 64 CA ASP A 4 -6.657 0.960 -0.387 1.00 0.00 C ATOM 65 C ASP A 4 -6.453 0.206 -1.699 1.00 0.00 C ATOM 66 O ASP A 4 -6.235 -1.001 -1.699 1.00 0.00 O ATOM 67 CB ASP A 4 -8.104 1.448 -0.283 1.00 0.00 C ATOM 68 CG ASP A 4 -9.108 0.312 -0.353 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.679 -0.854 -0.491 1.00 0.00 O ATOM 70 OD2 ASP A 4 -10.323 0.589 -0.270 1.00 0.00 O ATOM 0 H ASP A 4 -6.170 3.000 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.451 0.275 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.235 1.987 0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.304 2.155 -1.088 1.00 0.00 H new ATOM 75 N LYS A 5 -6.538 0.925 -2.813 1.00 0.00 N ATOM 76 CA LYS A 5 -6.374 0.318 -4.133 1.00 0.00 C ATOM 77 C LYS A 5 -4.917 0.343 -4.605 1.00 0.00 C ATOM 78 O LYS A 5 -4.599 -0.184 -5.671 1.00 0.00 O ATOM 79 CB LYS A 5 -7.262 1.038 -5.151 1.00 0.00 C ATOM 80 CG LYS A 5 -8.407 0.184 -5.671 1.00 0.00 C ATOM 81 CD LYS A 5 -8.717 0.492 -7.128 1.00 0.00 C ATOM 82 CE LYS A 5 -10.202 0.740 -7.343 1.00 0.00 C ATOM 83 NZ LYS A 5 -10.978 -0.530 -7.380 1.00 0.00 N ATOM 0 H LYS A 5 -6.719 1.929 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.674 -0.727 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.671 1.938 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.648 1.360 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.151 -0.871 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.296 0.357 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.151 1.369 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.392 -0.339 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.583 1.375 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.348 1.282 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.985 -0.317 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.632 -1.126 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.860 -1.035 -6.479 1.00 0.00 H new ATOM 97 N PHE A 6 -4.039 0.972 -3.828 1.00 0.00 N ATOM 98 CA PHE A 6 -2.630 1.075 -4.202 1.00 0.00 C ATOM 99 C PHE A 6 -1.858 -0.215 -3.929 1.00 0.00 C ATOM 100 O PHE A 6 -1.390 -0.874 -4.858 1.00 0.00 O ATOM 101 CB PHE A 6 -1.968 2.238 -3.460 1.00 0.00 C ATOM 102 CG PHE A 6 -0.570 2.528 -3.928 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.345 3.072 -5.183 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.517 2.258 -3.114 1.00 0.00 C ATOM 105 CE1 PHE A 6 0.940 3.340 -5.616 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.804 2.523 -3.542 1.00 0.00 C ATOM 107 CZ PHE A 6 2.015 3.066 -4.795 1.00 0.00 C ATOM 0 H PHE A 6 -4.276 1.416 -2.941 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.599 1.256 -5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.578 3.133 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.947 2.013 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.183 3.289 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.357 1.835 -2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.103 3.764 -6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.644 2.306 -2.898 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.020 3.276 -5.131 1.00 0.00 H new ATOM 117 N LEU A 7 -1.703 -0.559 -2.653 1.00 0.00 N ATOM 118 CA LEU A 7 -0.959 -1.756 -2.273 1.00 0.00 C ATOM 119 C LEU A 7 -1.798 -3.023 -2.412 1.00 0.00 C ATOM 120 O LEU A 7 -1.270 -4.133 -2.357 1.00 0.00 O ATOM 121 CB LEU A 7 -0.444 -1.625 -0.838 1.00 0.00 C ATOM 122 CG LEU A 7 -1.522 -1.447 0.233 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.114 -2.793 0.631 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.947 -0.735 1.448 1.00 0.00 C ATOM 0 H LEU A 7 -2.081 -0.028 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.115 -1.844 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.140 -2.513 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.236 -0.774 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.322 -0.834 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.878 -2.643 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.561 -3.267 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.327 -3.434 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.725 -0.615 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.129 -1.324 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.574 0.246 1.152 1.00 0.00 H new ATOM 136 N GLN A 8 -3.102 -2.859 -2.589 1.00 0.00 N ATOM 137 CA GLN A 8 -3.996 -4.000 -2.730 1.00 0.00 C ATOM 138 C GLN A 8 -4.143 -4.411 -4.192 1.00 0.00 C ATOM 139 O GLN A 8 -4.418 -5.572 -4.496 1.00 0.00 O ATOM 140 CB GLN A 8 -5.362 -3.669 -2.137 1.00 0.00 C ATOM 141 CG GLN A 8 -5.306 -3.291 -0.667 1.00 0.00 C ATOM 142 CD GLN A 8 -6.680 -3.225 -0.030 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.692 -3.494 -0.679 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.725 -2.866 1.248 1.00 0.00 N ATOM 0 H GLN A 8 -3.563 -1.950 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.562 -4.840 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.804 -2.847 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.021 -4.529 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.696 -4.018 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.814 -2.324 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.862 -2.652 1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.622 -2.805 1.729 1.00 0.00 H new ATOM 153 N SER A 9 -3.959 -3.453 -5.095 1.00 0.00 N ATOM 154 CA SER A 9 -4.074 -3.720 -6.525 1.00 0.00 C ATOM 155 C SER A 9 -2.728 -4.132 -7.112 1.00 0.00 C ATOM 156 O SER A 9 -2.664 -4.976 -8.007 1.00 0.00 O ATOM 157 CB SER A 9 -4.608 -2.487 -7.255 1.00 0.00 C ATOM 158 OG SER A 9 -5.842 -2.061 -6.706 1.00 0.00 O ATOM 0 H SER A 9 -3.730 -2.487 -4.863 1.00 0.00 H new ATOM 0 HA SER A 9 -4.775 -4.544 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.880 -1.679 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.737 -2.715 -8.313 1.00 0.00 H new ATOM 0 HG SER A 9 -5.756 -1.140 -6.382 1.00 0.00 H new ATOM 164 N VAL A 10 -1.656 -3.531 -6.606 1.00 0.00 N ATOM 165 CA VAL A 10 -0.313 -3.838 -7.082 1.00 0.00 C ATOM 166 C VAL A 10 0.029 -5.306 -6.857 1.00 0.00 C ATOM 167 O VAL A 10 0.704 -5.930 -7.676 1.00 0.00 O ATOM 168 CB VAL A 10 0.745 -2.963 -6.383 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.547 -1.498 -6.736 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.696 -3.168 -4.876 1.00 0.00 C ATOM 0 H VAL A 10 -1.692 -2.829 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.301 -3.625 -8.151 1.00 0.00 H new ATOM 0 HB VAL A 10 1.731 -3.266 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.304 -0.897 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.639 -1.368 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.444 -1.177 -6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.450 -2.542 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.291 -2.894 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.894 -4.215 -4.645 1.00 0.00 H new ATOM 180 N GLY A 11 -0.440 -5.853 -5.740 1.00 0.00 N ATOM 181 CA GLY A 11 -0.172 -7.244 -5.425 1.00 0.00 C ATOM 182 C GLY A 11 0.600 -7.405 -4.131 1.00 0.00 C ATOM 183 O GLY A 11 1.670 -8.014 -4.110 1.00 0.00 O ATOM 0 H GLY A 11 -1.001 -5.357 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.115 -7.785 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.393 -7.696 -6.240 1.00 0.00 H new ATOM 187 N LEU A 12 0.057 -6.861 -3.048 1.00 0.00 N ATOM 188 CA LEU A 12 0.701 -6.945 -1.742 1.00 0.00 C ATOM 189 C LEU A 12 -0.254 -7.527 -0.705 1.00 0.00 C ATOM 190 O LEU A 12 0.127 -8.379 0.097 1.00 0.00 O ATOM 191 CB LEU A 12 1.183 -5.561 -1.298 1.00 0.00 C ATOM 192 CG LEU A 12 2.701 -5.389 -1.242 1.00 0.00 C ATOM 193 CD1 LEU A 12 3.070 -3.915 -1.291 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.264 -6.043 0.010 1.00 0.00 C ATOM 0 H LEU A 12 -0.829 -6.356 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 12 1.562 -7.608 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.774 -4.815 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.773 -5.350 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 12 3.139 -5.881 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.154 -3.810 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.698 -3.477 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.623 -3.400 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.346 -5.911 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.822 -5.580 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.028 -7.107 0.002 1.00 0.00 H new ATOM 206 N VAL A 13 -1.498 -7.060 -0.728 1.00 0.00 N ATOM 207 CA VAL A 13 -2.509 -7.532 0.209 1.00 0.00 C ATOM 208 C VAL A 13 -3.778 -7.957 -0.523 1.00 0.00 C ATOM 209 O VAL A 13 -4.049 -7.501 -1.634 1.00 0.00 O ATOM 210 CB VAL A 13 -2.865 -6.449 1.243 1.00 0.00 C ATOM 211 CG1 VAL A 13 -3.808 -7.006 2.298 1.00 0.00 C ATOM 212 CG2 VAL A 13 -1.604 -5.891 1.887 1.00 0.00 C ATOM 0 H VAL A 13 -1.830 -6.355 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.085 -8.392 0.727 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.374 -5.635 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.048 -6.225 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.724 -7.353 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.328 -7.840 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.875 -5.127 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.065 -6.695 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.967 -5.451 1.119 1.00 0.00 H new ATOM 337 N THR A 20 -12.064 -2.129 3.817 1.00 0.00 N ATOM 338 CA THR A 20 -10.699 -2.488 4.186 1.00 0.00 C ATOM 339 C THR A 20 -10.508 -2.416 5.698 1.00 0.00 C ATOM 340 O THR A 20 -10.294 -1.340 6.256 1.00 0.00 O ATOM 341 CB THR A 20 -9.701 -1.564 3.484 1.00 0.00 C ATOM 342 OG1 THR A 20 -9.805 -1.690 2.077 1.00 0.00 O ATOM 343 CG2 THR A 20 -8.261 -1.834 3.863 1.00 0.00 C ATOM 0 HA THR A 20 -10.518 -3.514 3.866 1.00 0.00 H new ATOM 0 HB THR A 20 -9.962 -0.558 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.743 -1.827 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.609 -1.143 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.135 -1.695 4.937 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.001 -2.858 3.597 1.00 0.00 H new ATOM 351 N ASP A 21 -10.586 -3.569 6.355 1.00 0.00 N ATOM 352 CA ASP A 21 -10.421 -3.637 7.803 1.00 0.00 C ATOM 353 C ASP A 21 -8.996 -3.271 8.216 1.00 0.00 C ATOM 354 O ASP A 21 -8.739 -2.962 9.379 1.00 0.00 O ATOM 355 CB ASP A 21 -10.764 -5.040 8.310 1.00 0.00 C ATOM 356 CG ASP A 21 -12.253 -5.322 8.269 1.00 0.00 C ATOM 357 OD1 ASP A 21 -12.886 -5.016 7.237 1.00 0.00 O ATOM 358 OD2 ASP A 21 -12.785 -5.848 9.269 1.00 0.00 O ATOM 0 H ASP A 21 -10.762 -4.469 5.908 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.103 -2.915 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.240 -5.780 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.404 -5.152 9.333 1.00 0.00 H new ATOM 363 N MET A 22 -8.071 -3.312 7.260 1.00 0.00 N ATOM 364 CA MET A 22 -6.674 -2.988 7.530 1.00 0.00 C ATOM 365 C MET A 22 -6.541 -1.611 8.177 1.00 0.00 C ATOM 366 O MET A 22 -5.607 -1.362 8.939 1.00 0.00 O ATOM 367 CB MET A 22 -5.858 -3.040 6.236 1.00 0.00 C ATOM 368 CG MET A 22 -4.868 -4.193 6.188 1.00 0.00 C ATOM 369 SD MET A 22 -5.636 -5.748 5.697 1.00 0.00 S ATOM 370 CE MET A 22 -5.654 -6.626 7.258 1.00 0.00 C ATOM 0 H MET A 22 -8.265 -3.567 6.291 1.00 0.00 H new ATOM 0 HA MET A 22 -6.286 -3.730 8.228 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.540 -3.122 5.389 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.316 -2.101 6.120 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.068 -3.951 5.489 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.408 -4.313 7.169 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.102 -7.610 7.117 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.633 -6.741 7.623 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.238 -6.063 7.986 1.00 0.00 H new ATOM 380 N CYS A 23 -7.477 -0.720 7.868 1.00 0.00 N ATOM 381 CA CYS A 23 -7.456 0.629 8.423 1.00 0.00 C ATOM 382 C CYS A 23 -7.926 0.628 9.875 1.00 0.00 C ATOM 383 O CYS A 23 -7.485 1.449 10.681 1.00 0.00 O ATOM 384 CB CYS A 23 -8.334 1.564 7.588 1.00 0.00 C ATOM 385 SG CYS A 23 -10.103 1.196 7.673 1.00 0.00 S ATOM 0 H CYS A 23 -8.257 -0.906 7.238 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.428 0.990 8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.172 2.589 7.920 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.013 1.512 6.548 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.405 0.308 6.773 1.00 0.00 H new ATOM 391 N ASN A 24 -8.821 -0.297 10.201 1.00 0.00 N ATOM 392 CA ASN A 24 -9.350 -0.405 11.557 1.00 0.00 C ATOM 393 C ASN A 24 -8.349 -1.097 12.477 1.00 0.00 C ATOM 394 O ASN A 24 -8.160 -0.691 13.624 1.00 0.00 O ATOM 395 CB ASN A 24 -10.676 -1.171 11.548 1.00 0.00 C ATOM 396 CG ASN A 24 -11.829 -0.335 12.069 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.578 0.260 11.295 1.00 0.00 O ATOM 398 ND2 ASN A 24 -11.977 -0.288 13.388 1.00 0.00 N ATOM 0 H ASN A 24 -9.196 -0.983 9.546 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.525 0.602 11.937 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.897 -1.497 10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.578 -2.070 12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.736 0.257 13.797 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.332 -0.797 13.992 1.00 0.00 H new ATOM 405 N VAL A 25 -7.710 -2.145 11.966 1.00 0.00 N ATOM 406 CA VAL A 25 -6.729 -2.893 12.743 1.00 0.00 C ATOM 407 C VAL A 25 -5.505 -2.036 13.051 1.00 0.00 C ATOM 408 O VAL A 25 -4.890 -2.173 14.109 1.00 0.00 O ATOM 409 CB VAL A 25 -6.277 -4.167 12.005 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.449 -5.121 11.818 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.651 -3.816 10.663 1.00 0.00 C ATOM 0 H VAL A 25 -7.854 -2.495 11.019 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.216 -3.178 13.676 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.523 -4.666 12.613 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.110 -6.015 11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.850 -5.401 12.792 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.227 -4.631 11.233 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.338 -4.730 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.382 -3.292 10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.784 -3.175 10.822 1.00 0.00 H new ATOM 421 N GLY A 26 -5.160 -1.152 12.121 1.00 0.00 N ATOM 422 CA GLY A 26 -4.012 -0.283 12.311 1.00 0.00 C ATOM 423 C GLY A 26 -2.920 -0.517 11.283 1.00 0.00 C ATOM 424 O GLY A 26 -1.786 -0.073 11.464 1.00 0.00 O ATOM 0 H GLY A 26 -5.655 -1.021 11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.336 0.756 12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.604 -0.440 13.310 1.00 0.00 H new ATOM 428 N ALA A 27 -3.259 -1.213 10.201 1.00 0.00 N ATOM 429 CA ALA A 27 -2.295 -1.500 9.145 1.00 0.00 C ATOM 430 C ALA A 27 -2.085 -0.284 8.250 1.00 0.00 C ATOM 431 O ALA A 27 -0.951 0.098 7.963 1.00 0.00 O ATOM 432 CB ALA A 27 -2.756 -2.694 8.321 1.00 0.00 C ATOM 0 H ALA A 27 -4.193 -1.588 10.033 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.341 -1.743 9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.027 -2.898 7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.848 -3.568 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.723 -2.473 7.870 1.00 0.00 H new ATOM 438 N VAL A 28 -3.184 0.320 7.815 1.00 0.00 N ATOM 439 CA VAL A 28 -3.117 1.493 6.955 1.00 0.00 C ATOM 440 C VAL A 28 -2.480 2.669 7.688 1.00 0.00 C ATOM 441 O VAL A 28 -3.051 3.203 8.639 1.00 0.00 O ATOM 442 CB VAL A 28 -4.517 1.904 6.456 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.426 3.103 5.522 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.204 0.734 5.767 1.00 0.00 C ATOM 0 H VAL A 28 -4.131 0.017 8.044 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.501 1.227 6.096 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.117 2.192 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.425 3.376 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.981 3.945 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.807 2.848 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.191 1.043 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.606 0.412 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.308 -0.092 6.470 1.00 0.00 H new ATOM 454 N TRP A 29 -1.295 3.066 7.240 1.00 0.00 N ATOM 455 CA TRP A 29 -0.578 4.176 7.853 1.00 0.00 C ATOM 456 C TRP A 29 0.091 5.040 6.790 1.00 0.00 C ATOM 457 O TRP A 29 1.040 4.612 6.133 1.00 0.00 O ATOM 458 CB TRP A 29 0.470 3.653 8.837 1.00 0.00 C ATOM 459 CG TRP A 29 -0.070 3.410 10.213 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.070 2.548 10.563 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.362 4.037 11.428 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.287 2.601 11.918 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.421 3.507 12.472 1.00 0.00 C ATOM 464 CE3 TRP A 29 1.334 4.993 11.735 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.261 3.902 13.798 1.00 0.00 C ATOM 466 CZ3 TRP A 29 1.492 5.384 13.052 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.699 4.839 14.068 1.00 0.00 C ATOM 0 H TRP A 29 -0.810 2.635 6.453 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.299 4.789 8.395 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.888 2.724 8.450 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.289 4.370 8.898 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.611 1.916 9.874 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -1.980 2.055 12.429 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.951 5.419 10.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.872 3.484 14.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.240 6.122 13.301 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.848 5.165 15.087 1.00 0.00 H new ATOM 478 N LEU A 30 -0.413 6.257 6.623 1.00 0.00 N ATOM 479 CA LEU A 30 0.132 7.184 5.638 1.00 0.00 C ATOM 480 C LEU A 30 0.964 8.270 6.314 1.00 0.00 C ATOM 481 O LEU A 30 0.536 8.871 7.299 1.00 0.00 O ATOM 482 CB LEU A 30 -0.999 7.816 4.821 1.00 0.00 C ATOM 483 CG LEU A 30 -0.928 7.567 3.314 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.252 6.116 2.997 1.00 0.00 C ATOM 485 CD2 LEU A 30 -1.876 8.500 2.576 1.00 0.00 C ATOM 0 H LEU A 30 -1.200 6.625 7.158 1.00 0.00 H new ATOM 0 HA LEU A 30 0.782 6.623 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.951 7.436 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.996 8.892 4.996 1.00 0.00 H new ATOM 0 HG LEU A 30 0.088 7.772 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.197 5.958 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.534 5.465 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.258 5.883 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.813 8.310 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.897 8.325 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.598 9.535 2.778 1.00 0.00 H new ATOM 497 N ASN A 31 2.154 8.516 5.777 1.00 0.00 N ATOM 498 CA ASN A 31 3.047 9.530 6.327 1.00 0.00 C ATOM 499 C ASN A 31 3.403 9.218 7.778 1.00 0.00 C ATOM 500 O ASN A 31 3.705 10.118 8.561 1.00 0.00 O ATOM 501 CB ASN A 31 2.398 10.912 6.238 1.00 0.00 C ATOM 502 CG ASN A 31 1.828 11.195 4.862 1.00 0.00 C ATOM 503 OD1 ASN A 31 0.765 10.687 4.502 1.00 0.00 O ATOM 504 ND2 ASN A 31 2.533 12.008 4.084 1.00 0.00 N ATOM 0 H ASN A 31 2.523 8.027 4.961 1.00 0.00 H new ATOM 0 HA ASN A 31 3.964 9.525 5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.603 10.985 6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.137 11.674 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.199 12.234 3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.409 12.406 4.423 1.00 0.00 H new ATOM 511 N GLY A 32 3.364 7.935 8.131 1.00 0.00 N ATOM 512 CA GLY A 32 3.686 7.530 9.487 1.00 0.00 C ATOM 513 C GLY A 32 2.818 8.219 10.522 1.00 0.00 C ATOM 514 O GLY A 32 3.285 8.551 11.612 1.00 0.00 O ATOM 0 H GLY A 32 3.116 7.171 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.566 6.450 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.734 7.753 9.690 1.00 0.00 H new ATOM 518 N SER A 33 1.552 8.433 10.181 1.00 0.00 N ATOM 519 CA SER A 33 0.616 9.086 11.089 1.00 0.00 C ATOM 520 C SER A 33 -0.759 8.425 11.027 1.00 0.00 C ATOM 521 O SER A 33 -1.776 9.060 11.308 1.00 0.00 O ATOM 522 CB SER A 33 0.495 10.572 10.746 1.00 0.00 C ATOM 523 OG SER A 33 0.379 11.359 11.920 1.00 0.00 O ATOM 0 H SER A 33 1.150 8.164 9.283 1.00 0.00 H new ATOM 0 HA SER A 33 1.002 8.982 12.103 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.369 10.889 10.177 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.375 10.732 10.110 1.00 0.00 H new ATOM 0 HG SER A 33 0.305 12.305 11.674 1.00 0.00 H new ATOM 529 N CYS A 34 -0.782 7.148 10.657 1.00 0.00 N ATOM 530 CA CYS A 34 -2.032 6.403 10.558 1.00 0.00 C ATOM 531 C CYS A 34 -2.952 7.019 9.510 1.00 0.00 C ATOM 532 O CYS A 34 -2.901 8.222 9.255 1.00 0.00 O ATOM 533 CB CYS A 34 -2.737 6.366 11.915 1.00 0.00 C ATOM 534 SG CYS A 34 -3.988 5.068 12.061 1.00 0.00 S ATOM 0 H CYS A 34 0.051 6.608 10.421 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.795 5.384 10.252 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.990 6.226 12.697 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.209 7.332 12.094 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.407 3.905 12.070 1.00 0.00 H new ATOM 540 N ALA A 35 -3.791 6.186 8.903 1.00 0.00 N ATOM 541 CA ALA A 35 -4.721 6.650 7.881 1.00 0.00 C ATOM 542 C ALA A 35 -5.864 5.660 7.688 1.00 0.00 C ATOM 543 O ALA A 35 -5.712 4.464 7.935 1.00 0.00 O ATOM 544 CB ALA A 35 -3.989 6.878 6.568 1.00 0.00 C ATOM 0 H ALA A 35 -3.846 5.187 9.101 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.148 7.595 8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.695 7.224 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.212 7.629 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.534 5.944 6.238 1.00 0.00 H new ATOM 550 N LYS A 36 -7.009 6.168 7.243 1.00 0.00 N ATOM 551 CA LYS A 36 -8.180 5.329 7.015 1.00 0.00 C ATOM 552 C LYS A 36 -8.088 4.625 5.664 1.00 0.00 C ATOM 553 O LYS A 36 -7.018 4.562 5.058 1.00 0.00 O ATOM 554 CB LYS A 36 -9.455 6.172 7.083 1.00 0.00 C ATOM 555 CG LYS A 36 -10.606 5.475 7.790 1.00 0.00 C ATOM 556 CD LYS A 36 -11.937 5.763 7.111 1.00 0.00 C ATOM 557 CE LYS A 36 -13.026 6.069 8.126 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.717 4.834 8.590 1.00 0.00 N ATOM 0 H LYS A 36 -7.151 7.156 7.033 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.214 4.570 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.236 7.107 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.764 6.431 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.428 4.400 7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.648 5.803 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.824 6.607 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.232 4.905 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.590 6.584 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.755 6.748 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.452 5.086 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.155 4.355 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.027 4.197 9.036 1.00 0.00 H new ATOM 572 N ALA A 37 -9.216 4.095 5.197 1.00 0.00 N ATOM 573 CA ALA A 37 -9.258 3.395 3.919 1.00 0.00 C ATOM 574 C ALA A 37 -9.700 4.326 2.793 1.00 0.00 C ATOM 575 O ALA A 37 -10.262 3.880 1.792 1.00 0.00 O ATOM 576 CB ALA A 37 -10.189 2.195 4.008 1.00 0.00 C ATOM 0 H ALA A 37 -10.111 4.138 5.685 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.251 3.047 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.212 1.680 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.829 1.512 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.194 2.532 4.263 1.00 0.00 H new ATOM 582 N SER A 38 -9.441 5.619 2.961 1.00 0.00 N ATOM 583 CA SER A 38 -9.811 6.609 1.956 1.00 0.00 C ATOM 584 C SER A 38 -8.797 7.746 1.913 1.00 0.00 C ATOM 585 O SER A 38 -9.138 8.883 1.586 1.00 0.00 O ATOM 586 CB SER A 38 -11.205 7.166 2.248 1.00 0.00 C ATOM 587 OG SER A 38 -12.054 6.166 2.786 1.00 0.00 O ATOM 0 H SER A 38 -8.977 6.005 3.783 1.00 0.00 H new ATOM 0 HA SER A 38 -9.820 6.117 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.128 7.997 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.641 7.562 1.331 1.00 0.00 H new ATOM 0 HG SER A 38 -12.938 6.549 2.965 1.00 0.00 H new ATOM 593 N LYS A 39 -7.549 7.434 2.247 1.00 0.00 N ATOM 594 CA LYS A 39 -6.487 8.432 2.246 1.00 0.00 C ATOM 595 C LYS A 39 -5.763 8.456 0.904 1.00 0.00 C ATOM 596 O LYS A 39 -5.082 7.498 0.538 1.00 0.00 O ATOM 597 CB LYS A 39 -5.490 8.147 3.371 1.00 0.00 C ATOM 598 CG LYS A 39 -4.848 9.400 3.946 1.00 0.00 C ATOM 599 CD LYS A 39 -5.500 9.809 5.258 1.00 0.00 C ATOM 600 CE LYS A 39 -5.539 11.321 5.416 1.00 0.00 C ATOM 601 NZ LYS A 39 -4.707 11.780 6.563 1.00 0.00 N ATOM 0 H LYS A 39 -7.249 6.499 2.522 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.941 9.409 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.001 7.611 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.708 7.488 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.784 9.224 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.931 10.215 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.514 9.412 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.951 9.370 6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.184 11.791 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.570 11.645 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.760 12.816 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.061 11.351 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.719 11.494 6.412 1.00 0.00 H new ATOM 615 N GLU A 40 -5.914 9.556 0.175 1.00 0.00 N ATOM 616 CA GLU A 40 -5.274 9.705 -1.127 1.00 0.00 C ATOM 617 C GLU A 40 -3.755 9.658 -0.994 1.00 0.00 C ATOM 618 O GLU A 40 -3.177 10.322 -0.134 1.00 0.00 O ATOM 619 CB GLU A 40 -5.700 11.020 -1.781 1.00 0.00 C ATOM 620 CG GLU A 40 -5.552 12.228 -0.871 1.00 0.00 C ATOM 621 CD GLU A 40 -5.587 13.539 -1.632 1.00 0.00 C ATOM 622 OE1 GLU A 40 -6.697 14.072 -1.845 1.00 0.00 O ATOM 623 OE2 GLU A 40 -4.506 14.033 -2.015 1.00 0.00 O ATOM 0 H GLU A 40 -6.474 10.358 0.464 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.592 8.875 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.105 11.178 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.740 10.939 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.352 12.221 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.611 12.154 -0.325 1.00 0.00 H new ATOM 630 N VAL A 41 -3.115 8.868 -1.850 1.00 0.00 N ATOM 631 CA VAL A 41 -1.664 8.735 -1.826 1.00 0.00 C ATOM 632 C VAL A 41 -1.030 9.413 -3.038 1.00 0.00 C ATOM 633 O VAL A 41 -1.687 9.628 -4.055 1.00 0.00 O ATOM 634 CB VAL A 41 -1.235 7.255 -1.797 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.699 6.590 -0.511 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.775 6.517 -3.013 1.00 0.00 C ATOM 0 H VAL A 41 -3.578 8.311 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.317 9.224 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.146 7.211 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.387 5.546 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.257 7.103 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.786 6.644 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.461 5.474 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.864 6.569 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.387 6.979 -3.921 1.00 0.00 H new ATOM 646 N LYS A 42 0.252 9.745 -2.920 1.00 0.00 N ATOM 647 CA LYS A 42 0.975 10.397 -4.004 1.00 0.00 C ATOM 648 C LYS A 42 2.347 9.762 -4.202 1.00 0.00 C ATOM 649 O LYS A 42 2.713 8.820 -3.499 1.00 0.00 O ATOM 650 CB LYS A 42 1.131 11.892 -3.714 1.00 0.00 C ATOM 651 CG LYS A 42 1.953 12.186 -2.469 1.00 0.00 C ATOM 652 CD LYS A 42 3.036 13.217 -2.743 1.00 0.00 C ATOM 653 CE LYS A 42 3.977 13.364 -1.559 1.00 0.00 C ATOM 654 NZ LYS A 42 4.900 14.521 -1.722 1.00 0.00 N ATOM 0 H LYS A 42 0.811 9.573 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 42 0.399 10.269 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.601 12.373 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.142 12.337 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.298 12.548 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.410 11.265 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.604 12.924 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.576 14.180 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.395 13.490 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.559 12.450 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.525 14.586 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.474 14.389 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.346 15.397 -1.808 1.00 0.00 H new ATOM 668 N ALA A 43 3.103 10.283 -5.163 1.00 0.00 N ATOM 669 CA ALA A 43 4.435 9.767 -5.451 1.00 0.00 C ATOM 670 C ALA A 43 5.424 10.173 -4.364 1.00 0.00 C ATOM 671 O ALA A 43 5.247 11.193 -3.699 1.00 0.00 O ATOM 672 CB ALA A 43 4.909 10.260 -6.810 1.00 0.00 C ATOM 0 H ALA A 43 2.815 11.062 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 43 4.382 8.678 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.905 9.867 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.220 9.917 -7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.942 11.350 -6.811 1.00 0.00 H new ATOM 678 N GLY A 44 6.468 9.368 -4.190 1.00 0.00 N ATOM 679 CA GLY A 44 7.469 9.661 -3.181 1.00 0.00 C ATOM 680 C GLY A 44 6.884 9.730 -1.784 1.00 0.00 C ATOM 681 O GLY A 44 7.446 10.377 -0.900 1.00 0.00 O ATOM 0 H GLY A 44 6.638 8.519 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.244 8.895 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.951 10.610 -3.417 1.00 0.00 H new ATOM 685 N ASP A 45 5.754 9.060 -1.583 1.00 0.00 N ATOM 686 CA ASP A 45 5.095 9.047 -0.282 1.00 0.00 C ATOM 687 C ASP A 45 5.521 7.829 0.529 1.00 0.00 C ATOM 688 O ASP A 45 6.264 6.976 0.043 1.00 0.00 O ATOM 689 CB ASP A 45 3.575 9.054 -0.456 1.00 0.00 C ATOM 690 CG ASP A 45 2.878 9.921 0.575 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.223 11.118 0.673 1.00 0.00 O ATOM 692 OD2 ASP A 45 1.990 9.404 1.283 1.00 0.00 O ATOM 0 H ASP A 45 5.276 8.519 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 45 5.394 9.945 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.328 9.413 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.199 8.034 -0.382 1.00 0.00 H new ATOM 697 N THR A 46 5.048 7.752 1.769 1.00 0.00 N ATOM 698 CA THR A 46 5.382 6.637 2.647 1.00 0.00 C ATOM 699 C THR A 46 4.162 5.759 2.906 1.00 0.00 C ATOM 700 O THR A 46 3.063 6.259 3.146 1.00 0.00 O ATOM 701 CB THR A 46 5.939 7.161 3.972 1.00 0.00 C ATOM 702 OG1 THR A 46 7.092 7.954 3.753 1.00 0.00 O ATOM 703 CG2 THR A 46 6.317 6.060 4.938 1.00 0.00 C ATOM 0 H THR A 46 4.432 8.449 2.188 1.00 0.00 H new ATOM 0 HA THR A 46 6.141 6.030 2.152 1.00 0.00 H new ATOM 0 HB THR A 46 5.133 7.749 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.432 8.281 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.705 6.500 5.857 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.437 5.459 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.082 5.427 4.487 1.00 0.00 H new ATOM 711 N ILE A 47 4.365 4.446 2.859 1.00 0.00 N ATOM 712 CA ILE A 47 3.286 3.494 3.091 1.00 0.00 C ATOM 713 C ILE A 47 3.639 2.538 4.226 1.00 0.00 C ATOM 714 O ILE A 47 4.419 1.603 4.044 1.00 0.00 O ATOM 715 CB ILE A 47 2.974 2.676 1.824 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.784 3.606 0.624 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.737 1.817 2.036 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.664 4.608 0.809 1.00 0.00 C ATOM 0 H ILE A 47 5.269 4.017 2.662 1.00 0.00 H new ATOM 0 HA ILE A 47 2.404 4.073 3.364 1.00 0.00 H new ATOM 0 HB ILE A 47 3.818 2.017 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.714 4.143 0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.581 3.005 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.531 1.246 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.908 1.132 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.884 2.457 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.586 5.234 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.724 4.078 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.875 5.233 1.676 1.00 0.00 H new ATOM 730 N SER A 48 3.066 2.781 5.400 1.00 0.00 N ATOM 731 CA SER A 48 3.326 1.944 6.566 1.00 0.00 C ATOM 732 C SER A 48 2.329 0.792 6.651 1.00 0.00 C ATOM 733 O SER A 48 1.226 0.871 6.110 1.00 0.00 O ATOM 734 CB SER A 48 3.267 2.783 7.844 1.00 0.00 C ATOM 735 OG SER A 48 4.564 3.180 8.254 1.00 0.00 O ATOM 0 H SER A 48 2.418 3.551 5.569 1.00 0.00 H new ATOM 0 HA SER A 48 4.326 1.522 6.461 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.650 3.665 7.675 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.791 2.208 8.638 1.00 0.00 H new ATOM 0 HG SER A 48 4.499 3.716 9.072 1.00 0.00 H new ATOM 741 N LEU A 49 2.729 -0.275 7.336 1.00 0.00 N ATOM 742 CA LEU A 49 1.878 -1.448 7.498 1.00 0.00 C ATOM 743 C LEU A 49 2.023 -2.026 8.903 1.00 0.00 C ATOM 744 O LEU A 49 3.074 -1.898 9.531 1.00 0.00 O ATOM 745 CB LEU A 49 2.236 -2.511 6.455 1.00 0.00 C ATOM 746 CG LEU A 49 1.069 -2.989 5.584 1.00 0.00 C ATOM 747 CD1 LEU A 49 -0.125 -3.366 6.448 1.00 0.00 C ATOM 748 CD2 LEU A 49 0.684 -1.919 4.573 1.00 0.00 C ATOM 0 H LEU A 49 3.640 -0.351 7.789 1.00 0.00 H new ATOM 0 HA LEU A 49 0.842 -1.143 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.014 -2.111 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.662 -3.373 6.969 1.00 0.00 H new ATOM 0 HG LEU A 49 1.389 -3.877 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.943 -3.703 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.158 -4.168 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.447 -2.498 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.146 -2.276 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.384 -1.013 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.538 -1.701 3.931 1.00 0.00 H new ATOM 760 N HIS A 50 0.964 -2.663 9.390 1.00 0.00 N ATOM 761 CA HIS A 50 0.980 -3.260 10.722 1.00 0.00 C ATOM 762 C HIS A 50 0.915 -4.782 10.641 1.00 0.00 C ATOM 763 O HIS A 50 0.021 -5.343 10.009 1.00 0.00 O ATOM 764 CB HIS A 50 -0.189 -2.733 11.556 1.00 0.00 C ATOM 765 CG HIS A 50 -0.117 -3.122 13.000 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.487 -2.340 13.961 1.00 0.00 N ATOM 767 CD2 HIS A 50 -0.581 -4.219 13.645 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.394 -2.939 15.136 1.00 0.00 C ATOM 769 NE2 HIS A 50 -0.250 -4.080 14.971 1.00 0.00 N ATOM 0 H HIS A 50 0.086 -2.780 8.885 1.00 0.00 H new ATOM 0 HA HIS A 50 1.917 -2.980 11.204 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.217 -1.646 11.482 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.123 -3.105 11.134 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.112 -5.048 13.200 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.779 -2.560 16.071 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.467 -4.750 15.709 1.00 0.00 H new ATOM 778 N TYR A 51 1.870 -5.443 11.288 1.00 0.00 N ATOM 779 CA TYR A 51 1.924 -6.900 11.294 1.00 0.00 C ATOM 780 C TYR A 51 2.171 -7.428 12.703 1.00 0.00 C ATOM 781 O TYR A 51 2.261 -6.656 13.658 1.00 0.00 O ATOM 782 CB TYR A 51 3.022 -7.395 10.351 1.00 0.00 C ATOM 783 CG TYR A 51 2.625 -7.376 8.892 1.00 0.00 C ATOM 784 CD1 TYR A 51 2.591 -6.185 8.178 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.285 -8.548 8.229 1.00 0.00 C ATOM 786 CE1 TYR A 51 2.228 -6.163 6.845 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.921 -8.535 6.897 1.00 0.00 C ATOM 788 CZ TYR A 51 1.894 -7.340 6.209 1.00 0.00 C ATOM 789 OH TYR A 51 1.533 -7.322 4.881 1.00 0.00 O ATOM 0 H TYR A 51 2.617 -4.992 11.815 1.00 0.00 H new ATOM 0 HA TYR A 51 0.961 -7.276 10.947 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.910 -6.777 10.485 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.297 -8.412 10.630 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.853 -5.261 8.673 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.306 -9.486 8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.206 -5.229 6.304 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.659 -9.456 6.397 1.00 0.00 H new ATOM 0 HH TYR A 51 1.329 -8.234 4.585 1.00 0.00 H new ATOM 799 N LEU A 52 2.281 -8.746 12.827 1.00 0.00 N ATOM 800 CA LEU A 52 2.519 -9.374 14.122 1.00 0.00 C ATOM 801 C LEU A 52 4.010 -9.421 14.440 1.00 0.00 C ATOM 802 O LEU A 52 4.408 -9.375 15.604 1.00 0.00 O ATOM 803 CB LEU A 52 1.936 -10.789 14.142 1.00 0.00 C ATOM 804 CG LEU A 52 2.267 -11.643 12.916 1.00 0.00 C ATOM 805 CD1 LEU A 52 2.548 -13.080 13.325 1.00 0.00 C ATOM 806 CD2 LEU A 52 1.130 -11.586 11.905 1.00 0.00 C ATOM 0 H LEU A 52 2.209 -9.400 12.048 1.00 0.00 H new ATOM 0 HA LEU A 52 2.023 -8.773 14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.299 -11.303 15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.852 -10.718 14.235 1.00 0.00 H new ATOM 0 HG LEU A 52 3.165 -11.240 12.448 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.781 -13.671 12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.395 -13.104 14.011 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.670 -13.496 13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.382 -12.199 11.039 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.216 -11.964 12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.977 -10.555 11.587 1.00 0.00 H new ATOM 818 N LYS A 53 4.830 -9.513 13.398 1.00 0.00 N ATOM 819 CA LYS A 53 6.277 -9.567 13.568 1.00 0.00 C ATOM 820 C LYS A 53 6.855 -8.170 13.767 1.00 0.00 C ATOM 821 O LYS A 53 7.864 -7.997 14.452 1.00 0.00 O ATOM 822 CB LYS A 53 6.930 -10.234 12.355 1.00 0.00 C ATOM 823 CG LYS A 53 6.618 -9.541 11.039 1.00 0.00 C ATOM 824 CD LYS A 53 7.406 -10.148 9.890 1.00 0.00 C ATOM 825 CE LYS A 53 6.621 -10.108 8.589 1.00 0.00 C ATOM 826 NZ LYS A 53 7.375 -9.418 7.506 1.00 0.00 N ATOM 0 H LYS A 53 4.517 -9.552 12.428 1.00 0.00 H new ATOM 0 HA LYS A 53 6.491 -10.159 14.458 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.010 -10.253 12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.598 -11.271 12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.551 -9.617 10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.852 -8.479 11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.344 -9.607 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.662 -11.180 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.385 -11.125 8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.672 -9.597 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.056 -9.771 6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.205 -8.394 7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.392 -9.607 7.616 1.00 0.00 H new ATOM 840 N GLY A 54 6.210 -7.176 13.165 1.00 0.00 N ATOM 841 CA GLY A 54 6.676 -5.807 13.290 1.00 0.00 C ATOM 842 C GLY A 54 6.066 -4.889 12.249 1.00 0.00 C ATOM 843 O GLY A 54 5.384 -5.346 11.333 1.00 0.00 O ATOM 0 H GLY A 54 5.374 -7.294 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.434 -5.434 14.285 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.762 -5.786 13.197 1.00 0.00 H new ATOM 847 N ILE A 55 6.311 -3.591 12.391 1.00 0.00 N ATOM 848 CA ILE A 55 5.780 -2.606 11.456 1.00 0.00 C ATOM 849 C ILE A 55 6.720 -2.412 10.271 1.00 0.00 C ATOM 850 O ILE A 55 7.941 -2.467 10.418 1.00 0.00 O ATOM 851 CB ILE A 55 5.550 -1.244 12.140 1.00 0.00 C ATOM 852 CG1 ILE A 55 4.850 -1.433 13.487 1.00 0.00 C ATOM 853 CG2 ILE A 55 4.735 -0.329 11.237 1.00 0.00 C ATOM 854 CD1 ILE A 55 3.455 -2.011 13.368 1.00 0.00 C ATOM 0 H ILE A 55 6.874 -3.197 13.145 1.00 0.00 H new ATOM 0 HA ILE A 55 4.824 -2.992 11.102 1.00 0.00 H new ATOM 0 HB ILE A 55 6.519 -0.778 12.320 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.455 -2.090 14.112 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.794 -0.471 13.996 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.581 0.629 11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.271 -0.170 10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.769 -0.789 11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.019 -2.118 14.361 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.835 -1.344 12.769 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.506 -2.988 12.887 1.00 0.00 H new ATOM 866 N GLU A 56 6.142 -2.182 9.096 1.00 0.00 N ATOM 867 CA GLU A 56 6.928 -1.977 7.884 1.00 0.00 C ATOM 868 C GLU A 56 6.563 -0.655 7.217 1.00 0.00 C ATOM 869 O GLU A 56 5.393 -0.390 6.939 1.00 0.00 O ATOM 870 CB GLU A 56 6.710 -3.132 6.908 1.00 0.00 C ATOM 871 CG GLU A 56 7.189 -4.475 7.436 1.00 0.00 C ATOM 872 CD GLU A 56 6.368 -5.635 6.910 1.00 0.00 C ATOM 873 OE1 GLU A 56 5.213 -5.404 6.494 1.00 0.00 O ATOM 874 OE2 GLU A 56 6.879 -6.775 6.917 1.00 0.00 O ATOM 0 H GLU A 56 5.133 -2.133 8.957 1.00 0.00 H new ATOM 0 HA GLU A 56 7.981 -1.943 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.648 -3.202 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.230 -2.912 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.233 -4.619 7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.146 -4.469 8.525 1.00 0.00 H new ATOM 881 N GLU A 57 7.572 0.172 6.964 1.00 0.00 N ATOM 882 CA GLU A 57 7.356 1.468 6.330 1.00 0.00 C ATOM 883 C GLU A 57 7.908 1.482 4.908 1.00 0.00 C ATOM 884 O GLU A 57 9.121 1.528 4.702 1.00 0.00 O ATOM 885 CB GLU A 57 8.013 2.577 7.154 1.00 0.00 C ATOM 886 CG GLU A 57 7.776 3.971 6.595 1.00 0.00 C ATOM 887 CD GLU A 57 8.722 5.001 7.180 1.00 0.00 C ATOM 888 OE1 GLU A 57 8.775 5.121 8.423 1.00 0.00 O ATOM 889 OE2 GLU A 57 9.410 5.689 6.396 1.00 0.00 O ATOM 0 H GLU A 57 8.546 -0.032 7.188 1.00 0.00 H new ATOM 0 HA GLU A 57 6.281 1.645 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.633 2.534 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.086 2.393 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.893 3.949 5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.748 4.270 6.798 1.00 0.00 H new ATOM 896 N TYR A 58 7.009 1.447 3.929 1.00 0.00 N ATOM 897 CA TYR A 58 7.403 1.460 2.526 1.00 0.00 C ATOM 898 C TYR A 58 7.381 2.880 1.971 1.00 0.00 C ATOM 899 O TYR A 58 7.062 3.831 2.684 1.00 0.00 O ATOM 900 CB TYR A 58 6.476 0.564 1.702 1.00 0.00 C ATOM 901 CG TYR A 58 6.485 -0.883 2.139 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.952 -1.263 3.364 1.00 0.00 C ATOM 903 CD2 TYR A 58 7.028 -1.870 1.325 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.958 -2.585 3.767 1.00 0.00 C ATOM 905 CE2 TYR A 58 7.038 -3.195 1.721 1.00 0.00 C ATOM 906 CZ TYR A 58 6.502 -3.546 2.942 1.00 0.00 C ATOM 907 OH TYR A 58 6.511 -4.864 3.338 1.00 0.00 O ATOM 0 H TYR A 58 6.001 1.409 4.083 1.00 0.00 H new ATOM 0 HA TYR A 58 8.421 1.075 2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.458 0.949 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.769 0.620 0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.525 -0.512 4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.449 -1.598 0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.539 -2.863 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.463 -3.951 1.077 1.00 0.00 H new ATOM 0 HH TYR A 58 6.929 -5.412 2.641 1.00 0.00 H new ATOM 917 N THR A 59 7.720 3.017 0.694 1.00 0.00 N ATOM 918 CA THR A 59 7.739 4.321 0.043 1.00 0.00 C ATOM 919 C THR A 59 7.264 4.217 -1.403 1.00 0.00 C ATOM 920 O THR A 59 7.733 3.367 -2.161 1.00 0.00 O ATOM 921 CB THR A 59 9.148 4.916 0.088 1.00 0.00 C ATOM 922 OG1 THR A 59 9.601 5.026 1.426 1.00 0.00 O ATOM 923 CG2 THR A 59 9.240 6.288 -0.542 1.00 0.00 C ATOM 0 H THR A 59 7.986 2.240 0.089 1.00 0.00 H new ATOM 0 HA THR A 59 7.057 4.978 0.583 1.00 0.00 H new ATOM 0 HB THR A 59 9.770 4.230 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.095 5.728 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.266 6.651 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.943 6.228 -1.589 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.577 6.975 -0.016 1.00 0.00 H new ATOM 931 N ILE A 60 6.333 5.087 -1.780 1.00 0.00 N ATOM 932 CA ILE A 60 5.797 5.093 -3.135 1.00 0.00 C ATOM 933 C ILE A 60 6.777 5.740 -4.108 1.00 0.00 C ATOM 934 O ILE A 60 7.184 6.887 -3.924 1.00 0.00 O ATOM 935 CB ILE A 60 4.452 5.838 -3.207 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.515 5.352 -2.098 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.809 5.648 -4.573 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.170 6.045 -2.094 1.00 0.00 C ATOM 0 H ILE A 60 5.934 5.797 -1.166 1.00 0.00 H new ATOM 0 HA ILE A 60 5.640 4.052 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 60 4.637 6.902 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.361 4.279 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.997 5.507 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.859 6.182 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.472 6.040 -5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.635 4.586 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.560 5.650 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.313 7.116 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.667 5.869 -3.045 1.00 0.00 H new ATOM 950 N LEU A 61 7.155 4.995 -5.140 1.00 0.00 N ATOM 951 CA LEU A 61 8.092 5.492 -6.141 1.00 0.00 C ATOM 952 C LEU A 61 7.381 6.323 -7.205 1.00 0.00 C ATOM 953 O LEU A 61 7.997 7.164 -7.860 1.00 0.00 O ATOM 954 CB LEU A 61 8.830 4.324 -6.799 1.00 0.00 C ATOM 955 CG LEU A 61 9.707 3.498 -5.854 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.458 2.424 -6.626 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.681 4.400 -5.109 1.00 0.00 C ATOM 0 H LEU A 61 6.827 4.044 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 61 8.812 6.135 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.096 3.663 -7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.455 4.715 -7.602 1.00 0.00 H new ATOM 0 HG LEU A 61 9.062 3.009 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.076 1.847 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.744 1.762 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.093 2.893 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.297 3.798 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.320 4.916 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.124 5.133 -4.526 1.00 0.00 H new ATOM 969 N GLN A 62 6.083 6.086 -7.377 1.00 0.00 N ATOM 970 CA GLN A 62 5.300 6.818 -8.367 1.00 0.00 C ATOM 971 C GLN A 62 3.830 6.417 -8.316 1.00 0.00 C ATOM 972 O GLN A 62 3.473 5.401 -7.719 1.00 0.00 O ATOM 973 CB GLN A 62 5.857 6.572 -9.771 1.00 0.00 C ATOM 974 CG GLN A 62 5.538 7.684 -10.757 1.00 0.00 C ATOM 975 CD GLN A 62 6.580 7.809 -11.851 1.00 0.00 C ATOM 976 OE1 GLN A 62 7.105 6.810 -12.343 1.00 0.00 O ATOM 977 NE2 GLN A 62 6.885 9.041 -12.241 1.00 0.00 N ATOM 0 H GLN A 62 5.553 5.395 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 62 5.373 7.880 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.939 6.453 -9.708 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.455 5.633 -10.153 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.564 7.496 -11.208 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.464 8.630 -10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.426 9.842 -11.807 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.578 9.187 -12.975 1.00 0.00 H new ATOM 986 N ILE A 63 2.982 7.223 -8.947 1.00 0.00 N ATOM 987 CA ILE A 63 1.548 6.957 -8.977 1.00 0.00 C ATOM 988 C ILE A 63 1.003 7.045 -10.400 1.00 0.00 C ATOM 989 O ILE A 63 0.563 8.107 -10.839 1.00 0.00 O ATOM 990 CB ILE A 63 0.778 7.948 -8.085 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.409 8.012 -6.692 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.689 7.553 -7.998 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.221 6.748 -5.879 1.00 0.00 C ATOM 0 H ILE A 63 3.264 8.067 -9.445 1.00 0.00 H new ATOM 0 HA ILE A 63 1.404 5.946 -8.597 1.00 0.00 H new ATOM 0 HB ILE A 63 0.838 8.940 -8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.476 8.212 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.979 8.852 -6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.220 8.263 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.127 7.559 -8.996 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.772 6.553 -7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.695 6.868 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.156 6.557 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.677 5.907 -6.403 1.00 0.00 H new ATOM 1005 N PRO A 64 1.024 5.925 -11.144 1.00 0.00 N ATOM 1006 CA PRO A 64 0.527 5.884 -12.522 1.00 0.00 C ATOM 1007 C PRO A 64 -0.985 6.082 -12.602 1.00 0.00 C ATOM 1008 O PRO A 64 -1.534 6.298 -13.682 1.00 0.00 O ATOM 1009 CB PRO A 64 0.910 4.483 -13.003 1.00 0.00 C ATOM 1010 CG PRO A 64 1.030 3.673 -11.759 1.00 0.00 C ATOM 1011 CD PRO A 64 1.530 4.613 -10.699 1.00 0.00 C ATOM 0 HA PRO A 64 0.950 6.685 -13.128 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.152 4.073 -13.670 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.848 4.498 -13.557 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.068 3.245 -11.478 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.720 2.841 -11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.148 4.348 -9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.618 4.603 -10.633 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.652 6.007 -11.455 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.098 6.179 -11.399 1.00 0.00 C ATOM 1021 C ALA A 65 -3.808 5.129 -12.248 1.00 0.00 C ATOM 1022 O ALA A 65 -4.621 5.460 -13.112 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.479 7.580 -11.856 1.00 0.00 C ATOM 0 H ALA A 65 -1.213 5.828 -10.552 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.417 6.047 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.562 7.696 -11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.007 8.316 -11.205 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.141 7.733 -12.881 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.495 3.863 -11.996 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.105 2.765 -12.740 1.00 0.00 C ATOM 1031 C LEU A 66 -5.064 1.972 -11.854 1.00 0.00 C ATOM 1032 O LEU A 66 -5.369 2.378 -10.733 1.00 0.00 O ATOM 1033 CB LEU A 66 -3.022 1.846 -13.318 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.540 0.724 -12.392 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.380 -0.032 -13.025 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -2.139 1.286 -11.036 1.00 0.00 C ATOM 0 H LEU A 66 -2.825 3.571 -11.285 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.679 3.189 -13.564 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.404 1.397 -14.235 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.163 2.457 -13.596 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.362 0.024 -12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.052 -0.824 -12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.703 -0.469 -13.970 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.554 0.655 -13.206 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.800 0.475 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.333 2.008 -11.165 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.997 1.778 -10.578 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.533 0.839 -12.367 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.456 -0.012 -11.624 1.00 0.00 C ATOM 1050 C LYS A 67 -5.717 -1.169 -10.959 1.00 0.00 C ATOM 1051 O LYS A 67 -5.633 -1.242 -9.732 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.546 -0.551 -12.555 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.955 -0.361 -12.017 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.534 -1.668 -11.496 1.00 0.00 C ATOM 1055 CE LYS A 67 -9.826 -2.641 -12.628 1.00 0.00 C ATOM 1056 NZ LYS A 67 -8.947 -3.841 -12.569 1.00 0.00 N ATOM 0 H LYS A 67 -5.289 0.489 -13.294 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.920 0.591 -10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.465 -0.054 -13.522 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.372 -1.613 -12.728 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.943 0.378 -11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.596 0.034 -12.805 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.834 -2.123 -10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.452 -1.466 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.869 -2.952 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.688 -2.137 -13.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.416 -4.638 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.046 -3.635 -13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.764 -4.089 -11.576 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.182 -2.072 -11.775 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.451 -3.227 -11.266 1.00 0.00 C ATOM 1072 C ASN A 68 -3.082 -3.342 -11.932 1.00 0.00 C ATOM 1073 O ASN A 68 -2.904 -2.936 -13.080 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.256 -4.508 -11.496 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.595 -5.220 -10.201 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -6.665 -5.011 -9.626 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -4.685 -6.066 -9.733 1.00 0.00 N ATOM 0 H ASN A 68 -5.241 -2.026 -12.792 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.302 -3.089 -10.195 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.177 -4.264 -12.025 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.688 -5.180 -12.139 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.859 -6.573 -8.865 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.812 -6.209 -10.241 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.119 -3.898 -11.203 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.768 -4.066 -11.725 1.00 0.00 C ATOM 1086 C VAL A 69 -0.325 -5.526 -11.639 1.00 0.00 C ATOM 1087 O VAL A 69 -0.432 -6.151 -10.583 1.00 0.00 O ATOM 1088 CB VAL A 69 0.247 -3.194 -10.960 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.559 -3.107 -11.726 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.320 -1.803 -10.699 1.00 0.00 C ATOM 0 H VAL A 69 -2.249 -4.239 -10.251 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.793 -3.752 -12.768 1.00 0.00 H new ATOM 0 HB VAL A 69 0.443 -3.664 -9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.264 -2.488 -11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.975 -4.107 -11.851 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.380 -2.664 -12.706 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.414 -1.206 -10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.551 -1.320 -11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.229 -1.887 -10.104 1.00 0.00 H new ATOM 1100 N PRO A 70 0.180 -6.095 -12.749 1.00 0.00 N ATOM 1101 CA PRO A 70 0.636 -7.489 -12.778 1.00 0.00 C ATOM 1102 C PRO A 70 1.658 -7.782 -11.685 1.00 0.00 C ATOM 1103 O PRO A 70 1.995 -6.908 -10.887 1.00 0.00 O ATOM 1104 CB PRO A 70 1.279 -7.629 -14.161 1.00 0.00 C ATOM 1105 CG PRO A 70 0.634 -6.574 -14.990 1.00 0.00 C ATOM 1106 CD PRO A 70 0.346 -5.432 -14.055 1.00 0.00 C ATOM 0 HA PRO A 70 -0.182 -8.188 -12.603 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.359 -7.488 -14.111 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.106 -8.621 -14.579 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.291 -6.259 -15.801 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.283 -6.944 -15.448 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.163 -4.710 -14.039 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.553 -4.890 -14.348 1.00 0.00 H new ATOM 1114 N ARG A 71 2.147 -9.017 -11.654 1.00 0.00 N ATOM 1115 CA ARG A 71 3.130 -9.422 -10.657 1.00 0.00 C ATOM 1116 C ARG A 71 4.533 -9.447 -11.257 1.00 0.00 C ATOM 1117 O ARG A 71 5.305 -10.376 -11.022 1.00 0.00 O ATOM 1118 CB ARG A 71 2.777 -10.799 -10.092 1.00 0.00 C ATOM 1119 CG ARG A 71 1.458 -10.826 -9.336 1.00 0.00 C ATOM 1120 CD ARG A 71 1.202 -12.186 -8.706 1.00 0.00 C ATOM 1121 NE ARG A 71 2.198 -12.516 -7.689 1.00 0.00 N ATOM 1122 CZ ARG A 71 3.360 -13.115 -7.951 1.00 0.00 C ATOM 1123 NH1 ARG A 71 3.679 -13.454 -9.194 1.00 0.00 N ATOM 1124 NH2 ARG A 71 4.205 -13.376 -6.962 1.00 0.00 N ATOM 0 H ARG A 71 1.879 -9.753 -12.307 1.00 0.00 H new ATOM 0 HA ARG A 71 3.114 -8.692 -9.848 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.732 -11.518 -10.910 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.575 -11.125 -9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.467 -10.061 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.643 -10.580 -10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.209 -12.196 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.209 -12.952 -9.482 1.00 0.00 H new ATOM 0 HE ARG A 71 1.992 -12.273 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.033 -13.257 -9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.570 -13.912 -9.385 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.965 -13.119 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.095 -13.834 -7.159 1.00 0.00 H new ATOM 1138 N LYS A 72 4.854 -8.417 -12.036 1.00 0.00 N ATOM 1139 CA LYS A 72 6.163 -8.319 -12.671 1.00 0.00 C ATOM 1140 C LYS A 72 6.745 -6.920 -12.503 1.00 0.00 C ATOM 1141 O LYS A 72 7.891 -6.760 -12.080 1.00 0.00 O ATOM 1142 CB LYS A 72 6.058 -8.666 -14.158 1.00 0.00 C ATOM 1143 CG LYS A 72 7.299 -9.345 -14.714 1.00 0.00 C ATOM 1144 CD LYS A 72 7.322 -10.826 -14.374 1.00 0.00 C ATOM 1145 CE LYS A 72 6.628 -11.653 -15.445 1.00 0.00 C ATOM 1146 NZ LYS A 72 7.552 -12.012 -16.556 1.00 0.00 N ATOM 0 H LYS A 72 4.226 -7.640 -12.242 1.00 0.00 H new ATOM 0 HA LYS A 72 6.830 -9.031 -12.185 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.198 -9.318 -14.310 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.870 -7.753 -14.723 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.331 -9.218 -15.796 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.190 -8.864 -14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.354 -11.160 -14.266 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.833 -10.988 -13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.227 -12.563 -14.998 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.781 -11.094 -15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.040 -12.575 -17.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.915 -11.144 -17.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.347 -12.568 -16.181 1.00 0.00 H new ATOM 1160 N ASP A 73 5.951 -5.907 -12.836 1.00 0.00 N ATOM 1161 CA ASP A 73 6.389 -4.520 -12.721 1.00 0.00 C ATOM 1162 C ASP A 73 5.711 -3.831 -11.542 1.00 0.00 C ATOM 1163 O ASP A 73 5.493 -2.619 -11.561 1.00 0.00 O ATOM 1164 CB ASP A 73 6.089 -3.760 -14.014 1.00 0.00 C ATOM 1165 CG ASP A 73 6.873 -4.296 -15.195 1.00 0.00 C ATOM 1166 OD1 ASP A 73 7.018 -5.532 -15.301 1.00 0.00 O ATOM 1167 OD2 ASP A 73 7.343 -3.480 -16.016 1.00 0.00 O ATOM 0 H ASP A 73 5.000 -6.021 -13.188 1.00 0.00 H new ATOM 0 HA ASP A 73 7.465 -4.518 -12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.023 -3.824 -14.230 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.324 -2.705 -13.875 1.00 0.00 H new ATOM 1172 N THR A 74 5.380 -4.609 -10.517 1.00 0.00 N ATOM 1173 CA THR A 74 4.729 -4.073 -9.329 1.00 0.00 C ATOM 1174 C THR A 74 5.753 -3.595 -8.301 1.00 0.00 C ATOM 1175 O THR A 74 5.391 -2.998 -7.287 1.00 0.00 O ATOM 1176 CB THR A 74 3.819 -5.131 -8.703 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.320 -4.688 -7.454 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.513 -6.457 -8.475 1.00 0.00 C ATOM 0 H THR A 74 5.552 -5.614 -10.486 1.00 0.00 H new ATOM 0 HA THR A 74 4.130 -3.216 -9.635 1.00 0.00 H new ATOM 0 HB THR A 74 3.012 -5.279 -9.421 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.848 -3.923 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.812 -7.163 -8.029 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.867 -6.851 -9.428 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.360 -6.314 -7.804 1.00 0.00 H new ATOM 1186 N HIS A 75 7.032 -3.858 -8.563 1.00 0.00 N ATOM 1187 CA HIS A 75 8.097 -3.451 -7.654 1.00 0.00 C ATOM 1188 C HIS A 75 8.710 -2.119 -8.083 1.00 0.00 C ATOM 1189 O HIS A 75 9.842 -1.802 -7.717 1.00 0.00 O ATOM 1190 CB HIS A 75 9.181 -4.527 -7.593 1.00 0.00 C ATOM 1191 CG HIS A 75 9.814 -4.816 -8.919 1.00 0.00 C ATOM 1192 ND1 HIS A 75 10.306 -3.982 -9.867 1.00 0.00 N flip ATOM 1193 CD2 HIS A 75 9.999 -6.094 -9.402 1.00 0.00 C flip ATOM 1194 CE1 HIS A 75 10.774 -4.765 -10.892 1.00 0.00 C flip ATOM 1195 NE2 HIS A 75 10.577 -6.035 -10.588 1.00 0.00 N flip ATOM 0 H HIS A 75 7.354 -4.350 -9.396 1.00 0.00 H new ATOM 0 HA HIS A 75 7.661 -3.324 -6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.954 -4.213 -6.892 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.747 -5.446 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.715 -7.002 -8.890 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.230 -4.401 -11.801 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.828 -6.834 -11.170 1.00 0.00 H new ATOM 1204 N LEU A 76 7.957 -1.341 -8.856 1.00 0.00 N ATOM 1205 CA LEU A 76 8.432 -0.044 -9.328 1.00 0.00 C ATOM 1206 C LEU A 76 7.511 1.084 -8.867 1.00 0.00 C ATOM 1207 O LEU A 76 7.626 2.217 -9.334 1.00 0.00 O ATOM 1208 CB LEU A 76 8.535 -0.040 -10.854 1.00 0.00 C ATOM 1209 CG LEU A 76 9.774 -0.736 -11.423 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.406 -2.091 -12.010 1.00 0.00 C ATOM 1211 CD2 LEU A 76 10.442 0.137 -12.476 1.00 0.00 C ATOM 0 H LEU A 76 7.017 -1.586 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 76 9.420 0.125 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.647 -0.521 -11.264 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.527 0.993 -11.201 1.00 0.00 H new ATOM 0 HG LEU A 76 10.481 -0.895 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.300 -2.570 -12.409 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.975 -2.720 -11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.679 -1.955 -12.811 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.321 -0.375 -12.869 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.741 0.329 -13.288 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.744 1.083 -12.026 1.00 0.00 H new ATOM 1223 N TYR A 77 6.594 0.771 -7.954 1.00 0.00 N ATOM 1224 CA TYR A 77 5.657 1.765 -7.442 1.00 0.00 C ATOM 1225 C TYR A 77 5.788 1.922 -5.928 1.00 0.00 C ATOM 1226 O TYR A 77 5.531 2.994 -5.384 1.00 0.00 O ATOM 1227 CB TYR A 77 4.223 1.377 -7.805 1.00 0.00 C ATOM 1228 CG TYR A 77 3.995 1.234 -9.293 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.294 2.276 -10.162 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.485 0.058 -9.828 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.089 2.150 -11.523 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.278 -0.076 -11.188 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.581 0.973 -12.031 1.00 0.00 C ATOM 1234 OH TYR A 77 3.377 0.844 -13.385 1.00 0.00 O ATOM 0 H TYR A 77 6.481 -0.161 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 77 5.898 2.722 -7.905 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.975 0.435 -7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.541 2.130 -7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.693 3.199 -9.768 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.246 -0.765 -9.171 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.326 2.969 -12.185 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.881 -0.997 -11.589 1.00 0.00 H new ATOM 0 HH TYR A 77 3.016 -0.046 -13.578 1.00 0.00 H new ATOM 1244 N ILE A 78 6.188 0.847 -5.253 1.00 0.00 N ATOM 1245 CA ILE A 78 6.352 0.874 -3.804 1.00 0.00 C ATOM 1246 C ILE A 78 7.479 -0.056 -3.363 1.00 0.00 C ATOM 1247 O ILE A 78 7.651 -1.144 -3.913 1.00 0.00 O ATOM 1248 CB ILE A 78 5.049 0.468 -3.084 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.217 0.582 -1.567 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.644 -0.946 -3.474 1.00 0.00 C ATOM 1251 CD1 ILE A 78 3.952 0.283 -0.795 1.00 0.00 C ATOM 0 H ILE A 78 6.404 -0.051 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 78 6.603 1.899 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 78 4.256 1.150 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.001 -0.103 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.553 1.589 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.723 -1.216 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.483 -0.994 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.435 -1.641 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.145 0.383 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.171 0.984 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.626 -0.734 -1.011 1.00 0.00 H new ATOM 1263 N ALA A 79 8.245 0.382 -2.369 1.00 0.00 N ATOM 1264 CA ALA A 79 9.355 -0.409 -1.854 1.00 0.00 C ATOM 1265 C ALA A 79 9.576 -0.147 -0.367 1.00 0.00 C ATOM 1266 O ALA A 79 9.303 0.948 0.125 1.00 0.00 O ATOM 1267 CB ALA A 79 10.624 -0.109 -2.638 1.00 0.00 C ATOM 0 H ALA A 79 8.117 1.281 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 79 9.104 -1.463 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.446 -0.707 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.469 -0.354 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.868 0.949 -2.545 1.00 0.00 H new ATOM 1273 N PRO A 80 10.075 -1.152 0.372 1.00 0.00 N ATOM 1274 CA PRO A 80 10.331 -1.024 1.809 1.00 0.00 C ATOM 1275 C PRO A 80 11.495 -0.083 2.107 1.00 0.00 C ATOM 1276 O PRO A 80 12.626 -0.329 1.690 1.00 0.00 O ATOM 1277 CB PRO A 80 10.675 -2.451 2.240 1.00 0.00 C ATOM 1278 CG PRO A 80 11.189 -3.107 1.005 1.00 0.00 C ATOM 1279 CD PRO A 80 10.429 -2.491 -0.137 1.00 0.00 C ATOM 0 HA PRO A 80 9.477 -0.600 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.424 -2.456 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.798 -2.969 2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.261 -2.944 0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.033 -4.185 1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.038 -2.430 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.542 -3.072 -0.390 1.00 0.00 H new ATOM 1287 N LYS A 81 11.208 0.994 2.831 1.00 0.00 N ATOM 1288 CA LYS A 81 12.231 1.971 3.184 1.00 0.00 C ATOM 1289 C LYS A 81 12.883 1.620 4.518 1.00 0.00 C ATOM 1290 O LYS A 81 12.939 2.443 5.432 1.00 0.00 O ATOM 1291 CB LYS A 81 11.623 3.374 3.252 1.00 0.00 C ATOM 1292 CG LYS A 81 12.659 4.480 3.374 1.00 0.00 C ATOM 1293 CD LYS A 81 12.061 5.744 3.975 1.00 0.00 C ATOM 1294 CE LYS A 81 11.890 6.832 2.928 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.256 8.175 3.457 1.00 0.00 N ATOM 0 H LYS A 81 10.276 1.212 3.184 1.00 0.00 H new ATOM 0 HA LYS A 81 12.999 1.952 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.024 3.545 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.945 3.427 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.486 4.137 3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.071 4.704 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.094 5.513 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.705 6.107 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.510 6.602 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.855 6.847 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.125 8.889 2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.648 8.406 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.251 8.169 3.760 1.00 0.00 H new