USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 25 ASN : amide:sc= 0.773 K(o=1.8,f=-10!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 163:sc= 1.05 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.751 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 147:sc= 0 (180deg=-0.705) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.26 (180deg=0.956) USER MOD Single : A 2 GLN : amide:sc= -0.141 K(o=-0.14,f=-3.1!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 1.22 (180deg=1.16) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.1 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000369 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0.932) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0846 X(o=-0.085,f=-0.085) USER MOD Single : A 41 GLN : amide:sc= 0.463 K(o=0.46,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.241) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.988 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.000404 X(o=-0.0004,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 0.899 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.453 43.971 -12.109 1.00 0.00 N ATOM 2 CA MET A 1 -5.018 44.863 -11.027 1.00 0.00 C ATOM 3 C MET A 1 -4.008 45.271 -9.976 1.00 0.00 C ATOM 4 O MET A 1 -2.913 44.702 -9.981 1.00 0.00 O ATOM 5 CB MET A 1 -6.329 44.205 -10.407 1.00 0.00 C ATOM 6 CG MET A 1 -6.122 43.341 -9.102 1.00 0.00 C ATOM 7 SD MET A 1 -5.318 41.773 -9.500 1.00 0.00 S ATOM 8 CE MET A 1 -5.321 40.958 -7.865 1.00 0.00 C ATOM 0 H1 MET A 1 -5.177 43.286 -12.408 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.168 44.551 -12.924 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.625 43.461 -11.741 1.00 0.00 H new ATOM 0 HA MET A 1 -5.298 45.805 -11.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.039 45.001 -10.182 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.788 43.573 -11.167 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.516 43.895 -8.385 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.085 43.152 -8.628 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.429 39.881 -7.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.383 41.169 -7.352 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.153 41.337 -7.271 1.00 0.00 H new ATOM 18 N GLN A 2 -4.362 46.208 -9.078 1.00 0.00 N ATOM 19 CA GLN A 2 -3.335 46.765 -8.192 1.00 0.00 C ATOM 20 C GLN A 2 -3.459 46.131 -6.862 1.00 0.00 C ATOM 21 O GLN A 2 -4.561 46.198 -6.315 1.00 0.00 O ATOM 22 CB GLN A 2 -3.498 48.310 -7.924 1.00 0.00 C ATOM 23 CG GLN A 2 -3.484 49.198 -9.135 1.00 0.00 C ATOM 24 CD GLN A 2 -2.288 48.932 -10.067 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.119 48.825 -9.594 1.00 0.00 O ATOM 26 NE2 GLN A 2 -2.600 48.829 -11.369 1.00 0.00 N ATOM 0 H GLN A 2 -5.304 46.578 -8.951 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.383 46.581 -8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.437 48.469 -7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.697 48.628 -7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.410 49.056 -9.693 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.462 50.239 -8.814 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.569 48.928 -11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.868 48.652 -12.056 1.00 0.00 H new ATOM 35 N ILE A 3 -2.374 45.748 -6.227 1.00 0.00 N ATOM 36 CA ILE A 3 -2.480 45.255 -4.836 1.00 0.00 C ATOM 37 C ILE A 3 -1.352 45.944 -4.107 1.00 0.00 C ATOM 38 O ILE A 3 -0.531 46.659 -4.677 1.00 0.00 O ATOM 39 CB ILE A 3 -2.452 43.709 -4.690 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.163 43.190 -5.330 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.756 43.197 -5.358 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.863 41.759 -4.860 1.00 0.00 C ATOM 0 H ILE A 3 -1.432 45.759 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.455 45.495 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.435 43.353 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.256 43.210 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.332 43.846 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.798 42.110 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.619 43.626 -4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.769 43.495 -6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.058 41.408 -5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.747 41.749 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.686 41.103 -5.143 1.00 0.00 H new ATOM 54 N PHE A 4 -1.334 45.816 -2.820 1.00 0.00 N ATOM 55 CA PHE A 4 -0.276 46.514 -1.988 1.00 0.00 C ATOM 56 C PHE A 4 0.600 45.483 -1.299 1.00 0.00 C ATOM 57 O PHE A 4 0.108 44.537 -0.777 1.00 0.00 O ATOM 58 CB PHE A 4 -0.890 47.473 -0.936 1.00 0.00 C ATOM 59 CG PHE A 4 -1.838 48.518 -1.470 1.00 0.00 C ATOM 60 CD1 PHE A 4 -3.065 48.727 -0.825 1.00 0.00 C ATOM 61 CD2 PHE A 4 -1.536 49.226 -2.623 1.00 0.00 C ATOM 62 CE1 PHE A 4 -3.994 49.546 -1.412 1.00 0.00 C ATOM 63 CE2 PHE A 4 -2.482 50.114 -3.215 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.721 50.259 -2.616 1.00 0.00 C ATOM 0 H PHE A 4 -2.001 45.259 -2.286 1.00 0.00 H new ATOM 0 HA PHE A 4 0.325 47.120 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.419 46.876 -0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.077 47.980 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.275 48.250 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.566 49.103 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.963 49.655 -0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.236 50.662 -4.113 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.470 50.902 -3.054 1.00 0.00 H new ATOM 74 N VAL A 5 1.910 45.770 -1.252 1.00 0.00 N ATOM 75 CA VAL A 5 2.903 44.886 -0.566 1.00 0.00 C ATOM 76 C VAL A 5 3.702 45.669 0.424 1.00 0.00 C ATOM 77 O VAL A 5 4.445 46.604 0.115 1.00 0.00 O ATOM 78 CB VAL A 5 3.847 44.223 -1.600 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.936 43.304 -0.903 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.921 43.344 -2.462 1.00 0.00 C ATOM 0 H VAL A 5 2.319 46.603 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 5 2.356 44.104 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 5 4.393 44.975 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.577 42.859 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.541 43.907 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.439 42.514 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.510 42.834 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.429 42.605 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.169 43.970 -2.942 1.00 0.00 H new ATOM 90 N LYS A 6 3.531 45.202 1.669 1.00 0.00 N ATOM 91 CA LYS A 6 3.991 45.935 2.825 1.00 0.00 C ATOM 92 C LYS A 6 5.152 45.280 3.530 1.00 0.00 C ATOM 93 O LYS A 6 4.968 44.180 4.008 1.00 0.00 O ATOM 94 CB LYS A 6 2.776 46.006 3.765 1.00 0.00 C ATOM 95 CG LYS A 6 3.150 46.755 5.097 1.00 0.00 C ATOM 96 CD LYS A 6 1.903 47.108 5.944 1.00 0.00 C ATOM 97 CE LYS A 6 2.414 48.008 7.134 1.00 0.00 C ATOM 98 NZ LYS A 6 1.250 48.419 7.981 1.00 0.00 N ATOM 0 H LYS A 6 3.075 44.316 1.887 1.00 0.00 H new ATOM 0 HA LYS A 6 4.361 46.914 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.955 46.523 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.427 44.999 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.821 46.130 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.694 47.669 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.164 47.640 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.420 46.206 6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.139 47.459 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.924 48.889 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.585 49.013 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.574 48.958 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.782 47.572 8.362 1.00 0.00 H new ATOM 112 N THR A 7 6.334 45.983 3.625 1.00 0.00 N ATOM 113 CA THR A 7 7.549 45.506 4.310 1.00 0.00 C ATOM 114 C THR A 7 7.508 45.595 5.838 1.00 0.00 C ATOM 115 O THR A 7 6.653 46.227 6.419 1.00 0.00 O ATOM 116 CB THR A 7 8.824 46.276 3.857 1.00 0.00 C ATOM 117 OG1 THR A 7 8.673 47.648 4.209 1.00 0.00 O ATOM 118 CG2 THR A 7 8.979 46.219 2.316 1.00 0.00 C ATOM 0 H THR A 7 6.450 46.910 3.214 1.00 0.00 H new ATOM 0 HA THR A 7 7.587 44.456 4.020 1.00 0.00 H new ATOM 0 HB THR A 7 9.691 45.822 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.470 48.147 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.876 46.763 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.063 45.180 1.997 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.107 46.674 1.846 1.00 0.00 H new ATOM 126 N LEU A 8 8.473 44.925 6.481 1.00 0.00 N ATOM 127 CA LEU A 8 8.671 45.067 7.939 1.00 0.00 C ATOM 128 C LEU A 8 9.591 46.224 8.280 1.00 0.00 C ATOM 129 O LEU A 8 10.133 46.315 9.360 1.00 0.00 O ATOM 130 CB LEU A 8 9.348 43.821 8.477 1.00 0.00 C ATOM 131 CG LEU A 8 8.529 42.508 8.358 1.00 0.00 C ATOM 132 CD1 LEU A 8 9.053 41.606 9.523 1.00 0.00 C ATOM 133 CD2 LEU A 8 6.977 42.647 8.503 1.00 0.00 C ATOM 0 H LEU A 8 9.124 44.285 6.026 1.00 0.00 H new ATOM 0 HA LEU A 8 7.686 45.233 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.293 43.687 7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.588 43.984 9.528 1.00 0.00 H new ATOM 0 HG LEU A 8 8.671 42.114 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.524 40.653 9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.121 41.430 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.880 42.106 10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.513 41.666 8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.739 43.062 9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.597 43.310 7.726 1.00 0.00 H new ATOM 145 N THR A 9 9.731 47.072 7.268 1.00 0.00 N ATOM 146 CA THR A 9 10.383 48.385 7.317 1.00 0.00 C ATOM 147 C THR A 9 9.474 49.479 6.816 1.00 0.00 C ATOM 148 O THR A 9 9.956 50.551 6.459 1.00 0.00 O ATOM 149 CB THR A 9 11.774 48.412 6.628 1.00 0.00 C ATOM 150 OG1 THR A 9 11.822 47.599 5.496 1.00 0.00 O ATOM 151 CG2 THR A 9 12.766 47.810 7.634 1.00 0.00 C ATOM 0 H THR A 9 9.374 46.854 6.337 1.00 0.00 H new ATOM 0 HA THR A 9 10.580 48.583 8.371 1.00 0.00 H new ATOM 0 HB THR A 9 11.997 49.437 6.331 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.715 47.649 5.095 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.766 47.804 7.200 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.769 48.409 8.545 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.468 46.789 7.872 1.00 0.00 H new ATOM 159 N GLY A 10 8.176 49.190 6.875 1.00 0.00 N ATOM 160 CA GLY A 10 7.117 50.229 6.745 1.00 0.00 C ATOM 161 C GLY A 10 6.878 50.892 5.368 1.00 0.00 C ATOM 162 O GLY A 10 6.368 52.006 5.244 1.00 0.00 O ATOM 0 H GLY A 10 7.816 48.246 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.176 49.780 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.346 51.022 7.456 1.00 0.00 H new ATOM 166 N LYS A 11 7.268 50.166 4.367 1.00 0.00 N ATOM 167 CA LYS A 11 7.075 50.565 2.970 1.00 0.00 C ATOM 168 C LYS A 11 5.980 49.693 2.352 1.00 0.00 C ATOM 169 O LYS A 11 6.107 48.464 2.298 1.00 0.00 O ATOM 170 CB LYS A 11 8.369 50.321 2.196 1.00 0.00 C ATOM 171 CG LYS A 11 8.412 50.905 0.731 1.00 0.00 C ATOM 172 CD LYS A 11 9.938 50.724 0.212 1.00 0.00 C ATOM 173 CE LYS A 11 10.251 51.538 -1.070 1.00 0.00 C ATOM 174 NZ LYS A 11 11.670 51.311 -1.496 1.00 0.00 N ATOM 0 H LYS A 11 7.736 49.267 4.477 1.00 0.00 H new ATOM 0 HA LYS A 11 6.798 51.618 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.196 50.750 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.542 49.246 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.715 50.376 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.121 51.955 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.622 51.029 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.126 49.668 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.572 51.244 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.085 52.599 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.989 52.110 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.277 51.233 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.730 50.432 -2.049 1.00 0.00 H new ATOM 188 N THR A 12 4.952 50.401 1.995 1.00 0.00 N ATOM 189 CA THR A 12 3.850 49.866 1.210 1.00 0.00 C ATOM 190 C THR A 12 4.084 50.274 -0.245 1.00 0.00 C ATOM 191 O THR A 12 4.060 51.432 -0.655 1.00 0.00 O ATOM 192 CB THR A 12 2.518 50.389 1.826 1.00 0.00 C ATOM 193 OG1 THR A 12 2.279 49.667 3.068 1.00 0.00 O ATOM 194 CG2 THR A 12 1.253 50.157 0.961 1.00 0.00 C ATOM 0 H THR A 12 4.841 51.385 2.239 1.00 0.00 H new ATOM 0 HA THR A 12 3.788 48.778 1.229 1.00 0.00 H new ATOM 0 HB THR A 12 2.655 51.465 1.936 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.445 49.982 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.380 50.557 1.478 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.370 50.663 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.118 49.088 0.794 1.00 0.00 H new ATOM 202 N ILE A 13 4.196 49.192 -1.062 1.00 0.00 N ATOM 203 CA ILE A 13 4.404 49.256 -2.493 1.00 0.00 C ATOM 204 C ILE A 13 3.125 48.977 -3.219 1.00 0.00 C ATOM 205 O ILE A 13 2.440 48.026 -2.835 1.00 0.00 O ATOM 206 CB ILE A 13 5.476 48.138 -2.826 1.00 0.00 C ATOM 207 CG1 ILE A 13 6.734 48.324 -1.866 1.00 0.00 C ATOM 208 CG2 ILE A 13 5.890 48.268 -4.326 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.964 47.450 -2.215 1.00 0.00 C ATOM 0 H ILE A 13 4.139 48.236 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 13 4.743 50.244 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 13 5.061 47.143 -2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.035 49.371 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.427 48.100 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.628 47.503 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.012 48.137 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.319 49.255 -4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.766 47.650 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.688 46.397 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.305 47.688 -3.223 1.00 0.00 H new ATOM 221 N THR A 14 2.893 49.726 -4.342 1.00 0.00 N ATOM 222 CA THR A 14 1.845 49.275 -5.283 1.00 0.00 C ATOM 223 C THR A 14 2.414 48.437 -6.423 1.00 0.00 C ATOM 224 O THR A 14 3.391 48.847 -7.076 1.00 0.00 O ATOM 225 CB THR A 14 1.018 50.425 -5.862 1.00 0.00 C ATOM 226 OG1 THR A 14 0.547 51.200 -4.775 1.00 0.00 O ATOM 227 CG2 THR A 14 -0.259 49.896 -6.636 1.00 0.00 C ATOM 0 H THR A 14 3.384 50.583 -4.597 1.00 0.00 H new ATOM 0 HA THR A 14 1.181 48.653 -4.682 1.00 0.00 H new ATOM 0 HB THR A 14 1.646 50.989 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.188 50.728 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.820 50.742 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.054 49.252 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.891 49.330 -5.951 1.00 0.00 H new ATOM 235 N LEU A 15 1.826 47.235 -6.590 1.00 0.00 N ATOM 236 CA LEU A 15 2.357 46.218 -7.516 1.00 0.00 C ATOM 237 C LEU A 15 1.213 45.841 -8.455 1.00 0.00 C ATOM 238 O LEU A 15 0.065 45.653 -8.028 1.00 0.00 O ATOM 239 CB LEU A 15 2.850 44.956 -6.741 1.00 0.00 C ATOM 240 CG LEU A 15 4.335 44.554 -7.039 1.00 0.00 C ATOM 241 CD1 LEU A 15 5.322 45.485 -6.304 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.521 43.046 -6.641 1.00 0.00 C ATOM 0 H LEU A 15 0.983 46.946 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 15 3.212 46.612 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.743 45.136 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.202 44.116 -6.989 1.00 0.00 H new ATOM 0 HG LEU A 15 4.554 44.670 -8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.344 45.182 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.167 46.512 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.153 45.419 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.549 42.741 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.304 42.920 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.840 42.428 -7.227 1.00 0.00 H new ATOM 254 N GLU A 16 1.527 45.619 -9.765 1.00 0.00 N ATOM 255 CA GLU A 16 0.513 45.297 -10.759 1.00 0.00 C ATOM 256 C GLU A 16 0.588 43.787 -11.045 1.00 0.00 C ATOM 257 O GLU A 16 1.590 43.325 -11.510 1.00 0.00 O ATOM 258 CB GLU A 16 0.712 46.155 -12.027 1.00 0.00 C ATOM 259 CG GLU A 16 -0.582 45.982 -12.863 1.00 0.00 C ATOM 260 CD GLU A 16 -0.527 46.759 -14.239 1.00 0.00 C ATOM 261 OE1 GLU A 16 -1.343 46.474 -15.137 1.00 0.00 O ATOM 262 OE2 GLU A 16 0.373 47.590 -14.354 1.00 0.00 O ATOM 0 H GLU A 16 2.477 45.662 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.485 45.530 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.874 47.202 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.587 45.826 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.747 44.922 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.434 46.337 -12.284 1.00 0.00 H new ATOM 269 N VAL A 17 -0.436 43.026 -10.657 1.00 0.00 N ATOM 270 CA VAL A 17 -0.412 41.553 -10.732 1.00 0.00 C ATOM 271 C VAL A 17 -1.655 41.198 -11.516 1.00 0.00 C ATOM 272 O VAL A 17 -2.556 42.051 -11.574 1.00 0.00 O ATOM 273 CB VAL A 17 -0.406 40.868 -9.325 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.879 41.425 -8.636 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.608 41.305 -8.439 1.00 0.00 C ATOM 0 H VAL A 17 -1.305 43.405 -10.282 1.00 0.00 H new ATOM 0 HA VAL A 17 0.503 41.196 -11.205 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.453 39.785 -9.438 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.970 40.999 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.755 41.155 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.811 42.510 -8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.553 40.799 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.573 42.384 -8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.541 41.039 -8.935 1.00 0.00 H new ATOM 285 N GLU A 18 -1.623 40.075 -12.232 1.00 0.00 N ATOM 286 CA GLU A 18 -2.862 39.474 -12.778 1.00 0.00 C ATOM 287 C GLU A 18 -3.266 38.395 -11.788 1.00 0.00 C ATOM 288 O GLU A 18 -2.327 37.804 -11.333 1.00 0.00 O ATOM 289 CB GLU A 18 -2.582 38.816 -14.123 1.00 0.00 C ATOM 290 CG GLU A 18 -1.970 39.908 -15.108 1.00 0.00 C ATOM 291 CD GLU A 18 -1.896 39.294 -16.497 1.00 0.00 C ATOM 292 OE1 GLU A 18 -0.866 38.723 -16.813 1.00 0.00 O ATOM 293 OE2 GLU A 18 -2.890 39.358 -17.219 1.00 0.00 O ATOM 0 H GLU A 18 -0.770 39.561 -12.451 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.635 40.229 -12.919 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.886 37.986 -14.000 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.500 38.403 -14.540 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.592 40.803 -15.119 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.979 40.212 -14.772 1.00 0.00 H new ATOM 300 N PRO A 19 -4.502 38.079 -11.505 1.00 0.00 N ATOM 301 CA PRO A 19 -4.812 37.046 -10.463 1.00 0.00 C ATOM 302 C PRO A 19 -4.576 35.588 -10.825 1.00 0.00 C ATOM 303 O PRO A 19 -4.678 34.806 -9.896 1.00 0.00 O ATOM 304 CB PRO A 19 -6.284 37.347 -10.110 1.00 0.00 C ATOM 305 CG PRO A 19 -6.881 37.884 -11.420 1.00 0.00 C ATOM 306 CD PRO A 19 -5.732 38.806 -11.906 1.00 0.00 C ATOM 0 HA PRO A 19 -4.113 37.134 -9.631 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.804 36.451 -9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.360 38.081 -9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.101 37.088 -12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.809 38.431 -11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.772 38.961 -12.984 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.785 39.790 -11.441 1.00 0.00 H new ATOM 314 N SER A 20 -4.196 35.204 -12.051 1.00 0.00 N ATOM 315 CA SER A 20 -3.827 33.800 -12.331 1.00 0.00 C ATOM 316 C SER A 20 -2.325 33.643 -12.270 1.00 0.00 C ATOM 317 O SER A 20 -1.843 32.570 -12.419 1.00 0.00 O ATOM 318 CB SER A 20 -4.433 33.311 -13.690 1.00 0.00 C ATOM 319 OG SER A 20 -4.143 34.238 -14.764 1.00 0.00 O ATOM 0 H SER A 20 -4.135 35.829 -12.855 1.00 0.00 H new ATOM 0 HA SER A 20 -4.257 33.157 -11.563 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.030 32.329 -13.937 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.512 33.196 -13.588 1.00 0.00 H new ATOM 0 HG SER A 20 -4.533 33.904 -15.599 1.00 0.00 H new ATOM 325 N ASP A 21 -1.546 34.737 -12.091 1.00 0.00 N ATOM 326 CA ASP A 21 -0.157 34.639 -11.738 1.00 0.00 C ATOM 327 C ASP A 21 0.044 33.991 -10.337 1.00 0.00 C ATOM 328 O ASP A 21 -0.758 34.005 -9.377 1.00 0.00 O ATOM 329 CB ASP A 21 0.444 36.051 -11.695 1.00 0.00 C ATOM 330 CG ASP A 21 0.481 36.739 -13.077 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.224 36.110 -14.102 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.704 37.940 -13.031 1.00 0.00 O ATOM 0 H ASP A 21 -1.884 35.694 -12.192 1.00 0.00 H new ATOM 0 HA ASP A 21 0.332 34.013 -12.485 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.136 36.665 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.457 35.996 -11.297 1.00 0.00 H new ATOM 337 N THR A 22 1.102 33.162 -10.251 1.00 0.00 N ATOM 338 CA THR A 22 1.437 32.367 -9.069 1.00 0.00 C ATOM 339 C THR A 22 1.967 33.304 -7.960 1.00 0.00 C ATOM 340 O THR A 22 2.552 34.308 -8.316 1.00 0.00 O ATOM 341 CB THR A 22 2.404 31.161 -9.344 1.00 0.00 C ATOM 342 OG1 THR A 22 3.551 31.592 -10.011 1.00 0.00 O ATOM 343 CG2 THR A 22 1.713 30.110 -10.295 1.00 0.00 C ATOM 0 H THR A 22 1.757 33.028 -11.021 1.00 0.00 H new ATOM 0 HA THR A 22 0.518 31.886 -8.735 1.00 0.00 H new ATOM 0 HB THR A 22 2.652 30.723 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.142 30.827 -10.172 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.395 29.280 -10.477 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.804 29.736 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.461 30.587 -11.242 1.00 0.00 H new ATOM 351 N ILE A 23 1.847 33.049 -6.640 1.00 0.00 N ATOM 352 CA ILE A 23 2.514 33.961 -5.686 1.00 0.00 C ATOM 353 C ILE A 23 4.014 34.040 -5.868 1.00 0.00 C ATOM 354 O ILE A 23 4.523 35.147 -5.619 1.00 0.00 O ATOM 355 CB ILE A 23 2.135 33.506 -4.267 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.587 33.643 -4.104 1.00 0.00 C ATOM 357 CG2 ILE A 23 2.931 34.230 -3.125 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.046 35.075 -4.239 1.00 0.00 C ATOM 0 H ILE A 23 1.330 32.272 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 23 2.167 34.977 -5.872 1.00 0.00 H new ATOM 0 HB ILE A 23 2.428 32.462 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.101 33.015 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.303 33.254 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.603 33.851 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.997 34.039 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.746 35.303 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.036 35.069 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.498 35.708 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.292 35.465 -5.226 1.00 0.00 H new ATOM 370 N GLU A 24 4.764 32.982 -6.290 1.00 0.00 N ATOM 371 CA GLU A 24 6.173 33.148 -6.628 1.00 0.00 C ATOM 372 C GLU A 24 6.509 33.997 -7.836 1.00 0.00 C ATOM 373 O GLU A 24 7.518 34.731 -7.764 1.00 0.00 O ATOM 374 CB GLU A 24 6.790 31.740 -6.808 1.00 0.00 C ATOM 375 CG GLU A 24 8.328 31.807 -7.149 1.00 0.00 C ATOM 376 CD GLU A 24 9.025 30.425 -7.014 1.00 0.00 C ATOM 377 OE1 GLU A 24 9.806 30.333 -6.079 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.784 29.500 -7.794 1.00 0.00 O ATOM 0 H GLU A 24 4.409 32.032 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 24 6.594 33.712 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.646 31.162 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.265 31.213 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.456 32.178 -8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.814 32.522 -6.485 1.00 0.00 H new ATOM 385 N ASN A 25 5.655 33.958 -8.823 1.00 0.00 N ATOM 386 CA ASN A 25 5.655 35.071 -9.795 1.00 0.00 C ATOM 387 C ASN A 25 5.463 36.438 -9.052 1.00 0.00 C ATOM 388 O ASN A 25 6.182 37.382 -9.390 1.00 0.00 O ATOM 389 CB ASN A 25 4.627 34.829 -10.979 1.00 0.00 C ATOM 390 CG ASN A 25 4.839 36.004 -11.983 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.987 36.916 -12.177 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.864 35.937 -12.781 1.00 0.00 N ATOM 0 H ASN A 25 4.974 33.218 -8.991 1.00 0.00 H new ATOM 0 HA ASN A 25 6.629 35.114 -10.282 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.806 33.868 -11.461 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.602 34.813 -10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.964 36.611 -13.540 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.568 35.211 -12.648 1.00 0.00 H new ATOM 399 N VAL A 26 4.563 36.647 -8.030 1.00 0.00 N ATOM 400 CA VAL A 26 4.536 37.969 -7.313 1.00 0.00 C ATOM 401 C VAL A 26 5.824 38.320 -6.539 1.00 0.00 C ATOM 402 O VAL A 26 6.296 39.451 -6.640 1.00 0.00 O ATOM 403 CB VAL A 26 3.260 38.264 -6.462 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.311 39.678 -5.800 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.157 38.282 -7.552 1.00 0.00 C ATOM 0 H VAL A 26 3.885 35.960 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 26 4.483 38.655 -8.158 1.00 0.00 H new ATOM 0 HB VAL A 26 3.124 37.548 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.404 39.840 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.179 39.741 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.386 40.440 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.191 38.482 -7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.378 39.062 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.126 37.315 -8.054 1.00 0.00 H new ATOM 415 N LYS A 27 6.437 37.339 -5.873 1.00 0.00 N ATOM 416 CA LYS A 27 7.815 37.528 -5.306 1.00 0.00 C ATOM 417 C LYS A 27 8.853 37.918 -6.439 1.00 0.00 C ATOM 418 O LYS A 27 9.731 38.779 -6.278 1.00 0.00 O ATOM 419 CB LYS A 27 8.238 36.239 -4.545 1.00 0.00 C ATOM 420 CG LYS A 27 7.072 35.865 -3.562 1.00 0.00 C ATOM 421 CD LYS A 27 7.423 34.910 -2.400 1.00 0.00 C ATOM 422 CE LYS A 27 8.242 33.660 -2.976 1.00 0.00 C ATOM 423 NZ LYS A 27 8.607 32.754 -1.822 1.00 0.00 N ATOM 0 H LYS A 27 6.030 36.419 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 27 7.804 38.358 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.425 35.425 -5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.164 36.405 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.677 36.787 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.269 35.412 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.015 35.433 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.513 34.568 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.642 33.119 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.141 34.000 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.096 31.910 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.234 33.263 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.743 32.465 -1.321 1.00 0.00 H new ATOM 437 N ALA A 28 8.716 37.333 -7.655 1.00 0.00 N ATOM 438 CA ALA A 28 9.512 37.660 -8.860 1.00 0.00 C ATOM 439 C ALA A 28 9.438 39.107 -9.391 1.00 0.00 C ATOM 440 O ALA A 28 10.443 39.577 -9.898 1.00 0.00 O ATOM 441 CB ALA A 28 9.097 36.709 -10.054 1.00 0.00 C ATOM 0 H ALA A 28 8.028 36.600 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 28 10.537 37.520 -8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.687 36.955 -10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.280 35.672 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.038 36.844 -10.275 1.00 0.00 H new ATOM 447 N LYS A 29 8.267 39.693 -9.363 1.00 0.00 N ATOM 448 CA LYS A 29 8.026 41.174 -9.540 1.00 0.00 C ATOM 449 C LYS A 29 8.557 42.104 -8.425 1.00 0.00 C ATOM 450 O LYS A 29 9.093 43.172 -8.789 1.00 0.00 O ATOM 451 CB LYS A 29 6.491 41.418 -9.729 1.00 0.00 C ATOM 452 CG LYS A 29 6.064 40.891 -11.149 1.00 0.00 C ATOM 453 CD LYS A 29 4.522 41.097 -11.397 1.00 0.00 C ATOM 454 CE LYS A 29 3.965 40.754 -12.821 1.00 0.00 C ATOM 455 NZ LYS A 29 4.178 39.367 -13.280 1.00 0.00 N ATOM 0 H LYS A 29 7.404 39.170 -9.214 1.00 0.00 H new ATOM 0 HA LYS A 29 8.610 41.447 -10.419 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.928 40.903 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.264 42.480 -9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.631 41.414 -11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.310 39.833 -11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.981 40.492 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.284 42.139 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.894 40.959 -12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.425 41.430 -13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.542 39.163 -14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.165 39.250 -13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.978 38.709 -12.500 1.00 0.00 H new ATOM 469 N ILE A 30 8.493 41.672 -7.143 1.00 0.00 N ATOM 470 CA ILE A 30 9.129 42.395 -6.046 1.00 0.00 C ATOM 471 C ILE A 30 10.682 42.511 -6.192 1.00 0.00 C ATOM 472 O ILE A 30 11.276 43.528 -5.841 1.00 0.00 O ATOM 473 CB ILE A 30 8.722 41.673 -4.759 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.164 41.822 -4.548 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.541 42.169 -3.475 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.511 40.738 -3.589 1.00 0.00 C ATOM 0 H ILE A 30 8.004 40.824 -6.856 1.00 0.00 H new ATOM 0 HA ILE A 30 8.791 43.431 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 30 8.974 40.619 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.960 42.813 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.674 41.768 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.206 41.619 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.605 41.991 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.370 43.235 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.440 40.923 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.677 39.742 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.968 40.804 -2.601 1.00 0.00 H new ATOM 488 N GLN A 31 11.255 41.471 -6.724 1.00 0.00 N ATOM 489 CA GLN A 31 12.677 41.428 -7.049 1.00 0.00 C ATOM 490 C GLN A 31 13.140 42.490 -8.030 1.00 0.00 C ATOM 491 O GLN A 31 14.197 43.034 -7.811 1.00 0.00 O ATOM 492 CB GLN A 31 13.040 39.998 -7.564 1.00 0.00 C ATOM 493 CG GLN A 31 14.560 39.928 -7.890 1.00 0.00 C ATOM 494 CD GLN A 31 14.930 38.561 -8.434 1.00 0.00 C ATOM 495 OE1 GLN A 31 14.066 37.811 -8.977 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.208 38.315 -8.556 1.00 0.00 N ATOM 0 H GLN A 31 10.755 40.612 -6.952 1.00 0.00 H new ATOM 0 HA GLN A 31 13.212 41.656 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.785 39.254 -6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.456 39.762 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.816 40.697 -8.619 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.140 40.136 -6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.890 38.930 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.523 37.508 -9.095 1.00 0.00 H new ATOM 505 N ASP A 32 12.338 42.797 -9.033 1.00 0.00 N ATOM 506 CA ASP A 32 12.589 43.937 -9.938 1.00 0.00 C ATOM 507 C ASP A 32 12.557 45.334 -9.260 1.00 0.00 C ATOM 508 O ASP A 32 13.057 46.338 -9.788 1.00 0.00 O ATOM 509 CB ASP A 32 11.498 43.999 -11.114 1.00 0.00 C ATOM 510 CG ASP A 32 11.494 42.761 -12.023 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.398 42.427 -12.548 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.611 42.274 -12.310 1.00 0.00 O ATOM 0 H ASP A 32 11.492 42.273 -9.255 1.00 0.00 H new ATOM 0 HA ASP A 32 13.597 43.744 -10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.508 44.117 -10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.683 44.884 -11.722 1.00 0.00 H new ATOM 517 N LYS A 33 11.902 45.424 -8.113 1.00 0.00 N ATOM 518 CA LYS A 33 11.690 46.723 -7.356 1.00 0.00 C ATOM 519 C LYS A 33 12.679 46.843 -6.212 1.00 0.00 C ATOM 520 O LYS A 33 13.280 47.899 -6.058 1.00 0.00 O ATOM 521 CB LYS A 33 10.176 46.795 -6.768 1.00 0.00 C ATOM 522 CG LYS A 33 9.137 46.808 -7.888 1.00 0.00 C ATOM 523 CD LYS A 33 8.716 48.258 -8.139 1.00 0.00 C ATOM 524 CE LYS A 33 7.631 48.274 -9.301 1.00 0.00 C ATOM 525 NZ LYS A 33 7.353 49.679 -9.549 1.00 0.00 N ATOM 0 H LYS A 33 11.487 44.615 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 33 11.847 47.548 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.998 45.940 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.065 47.691 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.553 46.371 -8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.273 46.205 -7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.304 48.696 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.580 48.860 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.009 47.784 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.728 47.741 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.644 49.764 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.987 50.119 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.228 50.160 -9.839 1.00 0.00 H new ATOM 539 N GLU A 34 12.848 45.779 -5.401 1.00 0.00 N ATOM 540 CA GLU A 34 13.636 45.829 -4.135 1.00 0.00 C ATOM 541 C GLU A 34 14.851 44.895 -4.216 1.00 0.00 C ATOM 542 O GLU A 34 15.606 44.926 -3.241 1.00 0.00 O ATOM 543 CB GLU A 34 12.741 45.377 -2.878 1.00 0.00 C ATOM 544 CG GLU A 34 11.736 46.436 -2.440 1.00 0.00 C ATOM 545 CD GLU A 34 12.520 47.706 -1.948 1.00 0.00 C ATOM 546 OE1 GLU A 34 13.391 47.536 -1.110 1.00 0.00 O ATOM 547 OE2 GLU A 34 12.191 48.804 -2.346 1.00 0.00 O ATOM 0 H GLU A 34 12.448 44.861 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 34 13.963 46.860 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.206 44.462 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.397 45.140 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.077 46.697 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.105 46.049 -1.640 1.00 0.00 H new ATOM 554 N GLY A 35 15.037 44.021 -5.262 1.00 0.00 N ATOM 555 CA GLY A 35 16.304 43.294 -5.461 1.00 0.00 C ATOM 556 C GLY A 35 16.641 42.057 -4.621 1.00 0.00 C ATOM 557 O GLY A 35 17.793 41.708 -4.478 1.00 0.00 O ATOM 0 H GLY A 35 14.324 43.817 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.337 42.989 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.111 44.011 -5.312 1.00 0.00 H new ATOM 561 N ILE A 36 15.656 41.419 -4.011 1.00 0.00 N ATOM 562 CA ILE A 36 15.821 40.186 -3.214 1.00 0.00 C ATOM 563 C ILE A 36 15.228 38.955 -3.940 1.00 0.00 C ATOM 564 O ILE A 36 14.084 39.046 -4.298 1.00 0.00 O ATOM 565 CB ILE A 36 15.101 40.341 -1.828 1.00 0.00 C ATOM 566 CG1 ILE A 36 15.562 41.633 -1.062 1.00 0.00 C ATOM 567 CG2 ILE A 36 15.311 39.053 -0.959 1.00 0.00 C ATOM 568 CD1 ILE A 36 17.106 41.793 -0.810 1.00 0.00 C ATOM 0 H ILE A 36 14.689 41.742 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 36 16.891 40.031 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 36 14.034 40.459 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.217 42.502 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.056 41.655 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.806 39.174 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.896 38.190 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 36 16.377 38.897 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.293 42.723 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 36 17.467 40.953 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.630 41.813 -1.765 1.00 0.00 H new ATOM 580 N PRO A 37 15.941 37.849 -4.076 1.00 0.00 N ATOM 581 CA PRO A 37 15.383 36.605 -4.693 1.00 0.00 C ATOM 582 C PRO A 37 14.091 36.168 -3.994 1.00 0.00 C ATOM 583 O PRO A 37 14.070 36.161 -2.790 1.00 0.00 O ATOM 584 CB PRO A 37 16.431 35.455 -4.414 1.00 0.00 C ATOM 585 CG PRO A 37 17.737 36.241 -4.353 1.00 0.00 C ATOM 586 CD PRO A 37 17.330 37.558 -3.674 1.00 0.00 C ATOM 0 HA PRO A 37 15.188 36.788 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.225 34.930 -3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.439 34.707 -5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.498 35.712 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.149 36.412 -5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.406 37.471 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.995 38.367 -3.976 1.00 0.00 H new ATOM 594 N PRO A 38 13.091 35.654 -4.726 1.00 0.00 N ATOM 595 CA PRO A 38 11.835 34.963 -4.204 1.00 0.00 C ATOM 596 C PRO A 38 12.035 34.032 -3.048 1.00 0.00 C ATOM 597 O PRO A 38 11.365 34.095 -2.039 1.00 0.00 O ATOM 598 CB PRO A 38 11.361 34.240 -5.515 1.00 0.00 C ATOM 599 CG PRO A 38 11.557 35.366 -6.556 1.00 0.00 C ATOM 600 CD PRO A 38 12.978 35.884 -6.152 1.00 0.00 C ATOM 0 HA PRO A 38 11.117 35.653 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.962 33.359 -5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.324 33.911 -5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.527 34.994 -7.580 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.795 36.141 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.758 35.352 -6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.090 36.942 -6.388 1.00 0.00 H new ATOM 608 N ASP A 39 13.029 33.227 -3.137 1.00 0.00 N ATOM 609 CA ASP A 39 13.302 32.157 -2.143 1.00 0.00 C ATOM 610 C ASP A 39 13.662 32.620 -0.771 1.00 0.00 C ATOM 611 O ASP A 39 13.589 31.823 0.187 1.00 0.00 O ATOM 612 CB ASP A 39 14.336 31.122 -2.734 1.00 0.00 C ATOM 613 CG ASP A 39 13.637 30.486 -3.988 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.172 30.506 -5.122 1.00 0.00 O ATOM 615 OD2 ASP A 39 12.498 30.099 -3.851 1.00 0.00 O ATOM 0 H ASP A 39 13.707 33.261 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 39 12.348 31.656 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.267 31.616 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.589 30.359 -1.998 1.00 0.00 H new ATOM 620 N GLN A 40 13.987 33.897 -0.653 1.00 0.00 N ATOM 621 CA GLN A 40 14.118 34.463 0.652 1.00 0.00 C ATOM 622 C GLN A 40 12.937 35.291 1.101 1.00 0.00 C ATOM 623 O GLN A 40 12.911 35.791 2.257 1.00 0.00 O ATOM 624 CB GLN A 40 15.318 35.387 0.642 1.00 0.00 C ATOM 625 CG GLN A 40 16.640 34.612 0.423 1.00 0.00 C ATOM 626 CD GLN A 40 16.880 33.380 1.281 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.367 32.383 0.714 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.757 33.509 2.541 1.00 0.00 N ATOM 0 H GLN A 40 14.158 34.535 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 40 14.208 33.622 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.198 36.130 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.367 35.929 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.682 34.307 -0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.467 35.303 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.347 34.358 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.069 32.763 3.163 1.00 0.00 H new ATOM 637 N GLN A 41 11.913 35.386 0.212 1.00 0.00 N ATOM 638 CA GLN A 41 10.771 36.210 0.453 1.00 0.00 C ATOM 639 C GLN A 41 9.644 35.276 0.742 1.00 0.00 C ATOM 640 O GLN A 41 9.551 34.189 0.195 1.00 0.00 O ATOM 641 CB GLN A 41 10.275 36.991 -0.796 1.00 0.00 C ATOM 642 CG GLN A 41 11.232 38.181 -1.186 1.00 0.00 C ATOM 643 CD GLN A 41 10.606 38.701 -2.458 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.444 39.122 -2.395 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.295 38.902 -3.539 1.00 0.00 N ATOM 0 H GLN A 41 11.886 34.885 -0.676 1.00 0.00 H new ATOM 0 HA GLN A 41 11.048 36.915 1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.192 36.305 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.276 37.381 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.267 38.945 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.256 37.843 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.254 38.560 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.878 39.402 -4.324 1.00 0.00 H new ATOM 654 N ARG A 42 8.770 35.704 1.651 1.00 0.00 N ATOM 655 CA ARG A 42 7.508 35.015 1.859 1.00 0.00 C ATOM 656 C ARG A 42 6.422 36.013 2.250 1.00 0.00 C ATOM 657 O ARG A 42 6.677 36.961 2.959 1.00 0.00 O ATOM 658 CB ARG A 42 7.692 33.848 2.883 1.00 0.00 C ATOM 659 CG ARG A 42 8.411 34.419 4.125 1.00 0.00 C ATOM 660 CD ARG A 42 8.213 33.411 5.325 1.00 0.00 C ATOM 661 NE ARG A 42 8.760 32.105 5.045 1.00 0.00 N ATOM 662 CZ ARG A 42 9.108 31.274 6.024 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.315 31.688 7.231 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.150 29.930 5.894 1.00 0.00 N ATOM 0 H ARG A 42 8.915 36.518 2.248 1.00 0.00 H new ATOM 0 HA ARG A 42 7.176 34.553 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.725 33.428 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.276 33.041 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.472 34.558 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.005 35.398 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.688 33.817 6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.150 33.317 5.544 1.00 0.00 H new ATOM 0 HE ARG A 42 8.882 31.813 4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.213 32.678 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.581 31.025 7.959 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.906 29.496 5.004 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.426 29.349 6.686 1.00 0.00 H new ATOM 678 N LEU A 43 5.252 35.905 1.548 1.00 0.00 N ATOM 679 CA LEU A 43 4.089 36.691 1.754 1.00 0.00 C ATOM 680 C LEU A 43 3.174 36.069 2.810 1.00 0.00 C ATOM 681 O LEU A 43 3.035 34.840 2.916 1.00 0.00 O ATOM 682 CB LEU A 43 3.400 36.855 0.331 1.00 0.00 C ATOM 683 CG LEU A 43 4.254 37.921 -0.420 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.335 37.639 -1.962 1.00 0.00 C ATOM 685 CD2 LEU A 43 3.516 39.244 -0.176 1.00 0.00 C ATOM 0 H LEU A 43 5.134 35.223 0.799 1.00 0.00 H new ATOM 0 HA LEU A 43 4.332 37.675 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.387 35.909 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.364 37.180 0.431 1.00 0.00 H new ATOM 0 HG LEU A 43 5.283 37.922 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.940 38.408 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.790 36.663 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.331 37.650 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.050 40.055 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.505 39.176 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.468 39.442 0.895 1.00 0.00 H new ATOM 697 N ILE A 44 2.465 36.969 3.543 1.00 0.00 N ATOM 698 CA ILE A 44 1.619 36.618 4.690 1.00 0.00 C ATOM 699 C ILE A 44 0.200 37.159 4.459 1.00 0.00 C ATOM 700 O ILE A 44 0.054 38.299 4.082 1.00 0.00 O ATOM 701 CB ILE A 44 2.146 37.242 6.024 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.624 36.849 6.266 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.289 36.770 7.239 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.935 35.310 6.378 1.00 0.00 C ATOM 0 H ILE A 44 2.473 37.969 3.342 1.00 0.00 H new ATOM 0 HA ILE A 44 1.631 35.532 4.777 1.00 0.00 H new ATOM 0 HB ILE A 44 2.069 38.325 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.223 37.259 5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.959 37.332 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.677 37.218 8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.253 37.077 7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.337 35.684 7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.002 35.166 6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.375 34.885 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.643 34.812 5.454 1.00 0.00 H new ATOM 716 N PHE A 45 -0.871 36.342 4.642 1.00 0.00 N ATOM 717 CA PHE A 45 -2.246 36.750 4.424 1.00 0.00 C ATOM 718 C PHE A 45 -3.020 36.112 5.594 1.00 0.00 C ATOM 719 O PHE A 45 -2.804 34.936 5.881 1.00 0.00 O ATOM 720 CB PHE A 45 -2.755 36.231 3.068 1.00 0.00 C ATOM 721 CG PHE A 45 -4.239 36.606 2.864 1.00 0.00 C ATOM 722 CD1 PHE A 45 -5.190 35.637 2.693 1.00 0.00 C ATOM 723 CD2 PHE A 45 -4.587 37.945 2.718 1.00 0.00 C ATOM 724 CE1 PHE A 45 -6.539 35.971 2.574 1.00 0.00 C ATOM 725 CE2 PHE A 45 -5.931 38.330 2.623 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.935 37.340 2.516 1.00 0.00 C ATOM 0 H PHE A 45 -0.781 35.374 4.949 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.366 37.833 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.154 36.653 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.638 35.148 3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.892 34.600 2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.812 38.696 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.285 35.192 2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.198 39.376 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.973 37.613 2.394 1.00 0.00 H new ATOM 736 N ALA A 46 -3.885 36.885 6.243 1.00 0.00 N ATOM 737 CA ALA A 46 -4.691 36.522 7.409 1.00 0.00 C ATOM 738 C ALA A 46 -4.021 35.727 8.510 1.00 0.00 C ATOM 739 O ALA A 46 -4.546 34.718 8.950 1.00 0.00 O ATOM 740 CB ALA A 46 -6.097 35.947 7.029 1.00 0.00 C ATOM 0 H ALA A 46 -4.055 37.847 5.950 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.835 37.494 7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.645 35.697 7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.654 36.693 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.971 35.050 6.423 1.00 0.00 H new ATOM 746 N GLY A 47 -2.802 36.181 8.842 1.00 0.00 N ATOM 747 CA GLY A 47 -2.012 35.621 9.950 1.00 0.00 C ATOM 748 C GLY A 47 -1.390 34.267 9.616 1.00 0.00 C ATOM 749 O GLY A 47 -1.110 33.429 10.459 1.00 0.00 O ATOM 0 H GLY A 47 -2.337 36.945 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.221 36.322 10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.651 35.515 10.827 1.00 0.00 H new ATOM 753 N LYS A 48 -1.165 34.018 8.374 1.00 0.00 N ATOM 754 CA LYS A 48 -0.307 32.824 7.938 1.00 0.00 C ATOM 755 C LYS A 48 0.274 33.054 6.545 1.00 0.00 C ATOM 756 O LYS A 48 -0.299 33.819 5.782 1.00 0.00 O ATOM 757 CB LYS A 48 -0.887 31.370 8.174 1.00 0.00 C ATOM 758 CG LYS A 48 -2.275 31.103 7.528 1.00 0.00 C ATOM 759 CD LYS A 48 -2.843 29.709 8.034 1.00 0.00 C ATOM 760 CE LYS A 48 -4.159 29.253 7.233 1.00 0.00 C ATOM 761 NZ LYS A 48 -5.128 30.368 7.335 1.00 0.00 N ATOM 0 H LYS A 48 -1.530 34.580 7.604 1.00 0.00 H new ATOM 0 HA LYS A 48 0.512 32.808 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.175 30.643 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.963 31.195 9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.967 31.904 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.186 31.097 6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.073 28.946 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.075 29.779 9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.923 29.040 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.574 28.340 7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.062 30.047 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.194 30.681 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.809 31.160 6.741 1.00 0.00 H new ATOM 775 N GLN A 49 1.420 32.381 6.222 1.00 0.00 N ATOM 776 CA GLN A 49 2.090 32.279 4.893 1.00 0.00 C ATOM 777 C GLN A 49 1.152 31.954 3.676 1.00 0.00 C ATOM 778 O GLN A 49 0.254 31.116 3.747 1.00 0.00 O ATOM 779 CB GLN A 49 3.159 31.154 4.960 1.00 0.00 C ATOM 780 CG GLN A 49 4.221 31.295 3.869 1.00 0.00 C ATOM 781 CD GLN A 49 5.162 30.096 3.872 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.926 29.186 3.029 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.971 29.898 4.931 1.00 0.00 N ATOM 0 H GLN A 49 1.933 31.861 6.934 1.00 0.00 H new ATOM 0 HA GLN A 49 2.502 33.271 4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.641 31.172 5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.669 30.185 4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.739 31.382 2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.791 32.211 4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.140 30.656 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.415 28.990 5.071 1.00 0.00 H new ATOM 792 N LEU A 50 1.419 32.673 2.561 1.00 0.00 N ATOM 793 CA LEU A 50 0.860 32.374 1.246 1.00 0.00 C ATOM 794 C LEU A 50 1.829 31.302 0.620 1.00 0.00 C ATOM 795 O LEU A 50 3.058 31.495 0.562 1.00 0.00 O ATOM 796 CB LEU A 50 0.739 33.657 0.360 1.00 0.00 C ATOM 797 CG LEU A 50 -0.382 34.717 0.708 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.319 35.885 -0.334 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.787 34.105 0.599 1.00 0.00 C ATOM 0 H LEU A 50 2.037 33.484 2.562 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.159 31.993 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.700 34.171 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.581 33.334 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.206 35.061 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.089 36.621 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.662 36.359 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.486 35.489 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.533 34.861 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.951 33.750 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.875 33.269 1.293 1.00 0.00 H new ATOM 811 N GLU A 51 1.283 30.094 0.179 1.00 0.00 N ATOM 812 CA GLU A 51 2.104 29.050 -0.440 1.00 0.00 C ATOM 813 C GLU A 51 2.508 29.440 -1.863 1.00 0.00 C ATOM 814 O GLU A 51 1.729 29.436 -2.781 1.00 0.00 O ATOM 815 CB GLU A 51 1.470 27.597 -0.371 1.00 0.00 C ATOM 816 CG GLU A 51 2.277 26.503 -1.175 1.00 0.00 C ATOM 817 CD GLU A 51 1.692 25.095 -0.951 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.753 24.674 -1.638 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.227 24.418 -0.106 1.00 0.00 O ATOM 0 H GLU A 51 0.294 29.858 0.255 1.00 0.00 H new ATOM 0 HA GLU A 51 3.009 28.983 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.404 27.290 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.451 27.638 -0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.257 26.742 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.322 26.518 -0.865 1.00 0.00 H new ATOM 826 N ASP A 52 3.772 29.866 -1.984 1.00 0.00 N ATOM 827 CA ASP A 52 4.476 30.267 -3.206 1.00 0.00 C ATOM 828 C ASP A 52 3.823 29.866 -4.542 1.00 0.00 C ATOM 829 O ASP A 52 3.428 30.722 -5.372 1.00 0.00 O ATOM 830 CB ASP A 52 5.925 29.709 -2.986 1.00 0.00 C ATOM 831 CG ASP A 52 6.622 30.486 -1.870 1.00 0.00 C ATOM 832 OD1 ASP A 52 7.706 30.067 -1.434 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.147 31.583 -1.537 1.00 0.00 O ATOM 0 H ASP A 52 4.375 29.945 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 52 4.452 31.349 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.881 28.650 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.499 29.790 -3.909 1.00 0.00 H new ATOM 838 N GLY A 53 3.748 28.553 -4.807 1.00 0.00 N ATOM 839 CA GLY A 53 3.235 28.024 -6.036 1.00 0.00 C ATOM 840 C GLY A 53 1.738 28.247 -6.349 1.00 0.00 C ATOM 841 O GLY A 53 1.320 28.200 -7.518 1.00 0.00 O ATOM 0 H GLY A 53 4.052 27.835 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.815 28.453 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.422 26.950 -6.042 1.00 0.00 H new ATOM 845 N ARG A 54 0.861 28.485 -5.318 1.00 0.00 N ATOM 846 CA ARG A 54 -0.575 28.724 -5.547 1.00 0.00 C ATOM 847 C ARG A 54 -0.874 30.075 -6.253 1.00 0.00 C ATOM 848 O ARG A 54 -0.060 31.011 -6.173 1.00 0.00 O ATOM 849 CB ARG A 54 -1.462 28.701 -4.242 1.00 0.00 C ATOM 850 CG ARG A 54 -1.212 27.487 -3.326 1.00 0.00 C ATOM 851 CD ARG A 54 -1.951 26.210 -3.742 1.00 0.00 C ATOM 852 NE ARG A 54 -1.604 25.090 -2.813 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.115 23.891 -3.002 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.720 23.528 -4.105 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.955 22.972 -2.102 1.00 0.00 N ATOM 0 H ARG A 54 1.137 28.513 -4.336 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.842 27.883 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.277 29.613 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.513 28.713 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.142 27.280 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.509 27.748 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.027 26.383 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.683 25.942 -4.764 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.970 25.255 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.815 24.189 -4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.096 22.584 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.434 23.178 -1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.350 22.043 -2.246 1.00 0.00 H new ATOM 869 N THR A 55 -2.124 30.221 -6.822 1.00 0.00 N ATOM 870 CA THR A 55 -2.509 31.487 -7.454 1.00 0.00 C ATOM 871 C THR A 55 -3.308 32.444 -6.573 1.00 0.00 C ATOM 872 O THR A 55 -3.873 32.117 -5.562 1.00 0.00 O ATOM 873 CB THR A 55 -3.228 31.350 -8.812 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.394 30.573 -8.659 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.273 30.721 -9.800 1.00 0.00 C ATOM 0 H THR A 55 -2.839 29.494 -6.844 1.00 0.00 H new ATOM 0 HA THR A 55 -1.527 31.927 -7.627 1.00 0.00 H new ATOM 0 HB THR A 55 -3.530 32.329 -9.185 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.848 30.490 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.766 30.617 -10.767 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.392 31.354 -9.908 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.971 29.738 -9.439 1.00 0.00 H new ATOM 883 N LEU A 56 -3.299 33.746 -6.946 1.00 0.00 N ATOM 884 CA LEU A 56 -4.102 34.796 -6.226 1.00 0.00 C ATOM 885 C LEU A 56 -5.627 34.472 -6.252 1.00 0.00 C ATOM 886 O LEU A 56 -6.305 34.651 -5.240 1.00 0.00 O ATOM 887 CB LEU A 56 -3.868 36.240 -6.818 1.00 0.00 C ATOM 888 CG LEU A 56 -2.465 36.829 -6.506 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.137 37.959 -7.512 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.397 37.427 -5.095 1.00 0.00 C ATOM 0 H LEU A 56 -2.755 34.104 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.751 34.785 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.004 36.205 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.629 36.912 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.750 36.010 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.152 38.370 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.142 37.557 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.885 38.747 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.399 37.828 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.131 38.227 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.612 36.651 -4.360 1.00 0.00 H new ATOM 902 N SER A 57 -6.076 33.875 -7.379 1.00 0.00 N ATOM 903 CA SER A 57 -7.425 33.227 -7.581 1.00 0.00 C ATOM 904 C SER A 57 -7.504 32.093 -6.579 1.00 0.00 C ATOM 905 O SER A 57 -8.584 31.930 -5.977 1.00 0.00 O ATOM 906 CB SER A 57 -7.645 32.639 -9.029 1.00 0.00 C ATOM 907 OG SER A 57 -9.011 32.164 -9.071 1.00 0.00 O ATOM 0 H SER A 57 -5.497 33.820 -8.217 1.00 0.00 H new ATOM 0 HA SER A 57 -8.195 33.986 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.475 33.402 -9.789 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.945 31.828 -9.230 1.00 0.00 H new ATOM 0 HG SER A 57 -9.200 31.788 -9.956 1.00 0.00 H new ATOM 913 N ASP A 58 -6.417 31.284 -6.321 1.00 0.00 N ATOM 914 CA ASP A 58 -6.583 30.149 -5.408 1.00 0.00 C ATOM 915 C ASP A 58 -6.928 30.569 -3.964 1.00 0.00 C ATOM 916 O ASP A 58 -7.674 29.845 -3.281 1.00 0.00 O ATOM 917 CB ASP A 58 -5.371 29.201 -5.390 1.00 0.00 C ATOM 918 CG ASP A 58 -5.171 28.458 -6.727 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.194 28.081 -7.330 1.00 0.00 O ATOM 920 OD2 ASP A 58 -3.985 28.197 -7.052 1.00 0.00 O ATOM 0 H ASP A 58 -5.484 31.403 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.436 29.607 -5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.472 29.773 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.498 28.472 -4.590 1.00 0.00 H new ATOM 925 N TYR A 59 -6.358 31.689 -3.492 1.00 0.00 N ATOM 926 CA TYR A 59 -6.682 32.237 -2.154 1.00 0.00 C ATOM 927 C TYR A 59 -7.779 33.289 -2.193 1.00 0.00 C ATOM 928 O TYR A 59 -8.006 33.933 -1.185 1.00 0.00 O ATOM 929 CB TYR A 59 -5.374 32.810 -1.511 1.00 0.00 C ATOM 930 CG TYR A 59 -4.405 31.668 -1.277 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.186 31.669 -1.942 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.584 30.897 -0.122 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.198 30.805 -1.458 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.626 29.987 0.289 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.394 30.001 -0.312 1.00 0.00 C ATOM 936 OH TYR A 59 -1.337 29.254 0.281 1.00 0.00 O ATOM 0 H TYR A 59 -5.671 32.236 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.074 31.425 -1.542 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.926 33.557 -2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.603 33.309 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.009 32.308 -2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.487 31.015 0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.253 30.750 -1.978 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.846 29.276 1.072 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.678 28.768 1.061 1.00 0.00 H new ATOM 946 N ASN A 60 -8.407 33.515 -3.374 1.00 0.00 N ATOM 947 CA ASN A 60 -9.293 34.634 -3.726 1.00 0.00 C ATOM 948 C ASN A 60 -8.930 36.070 -3.239 1.00 0.00 C ATOM 949 O ASN A 60 -9.746 36.729 -2.571 1.00 0.00 O ATOM 950 CB ASN A 60 -10.757 34.383 -3.353 1.00 0.00 C ATOM 951 CG ASN A 60 -11.376 33.201 -4.022 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.894 33.415 -5.164 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.295 31.986 -3.487 1.00 0.00 N ATOM 0 H ASN A 60 -8.294 32.869 -4.156 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.130 34.640 -4.804 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.825 34.250 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.339 35.271 -3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.657 31.179 -3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.871 31.861 -2.568 1.00 0.00 H new ATOM 960 N ILE A 61 -7.716 36.483 -3.548 1.00 0.00 N ATOM 961 CA ILE A 61 -7.095 37.800 -3.102 1.00 0.00 C ATOM 962 C ILE A 61 -7.484 38.956 -4.024 1.00 0.00 C ATOM 963 O ILE A 61 -7.076 38.976 -5.185 1.00 0.00 O ATOM 964 CB ILE A 61 -5.551 37.605 -2.871 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.393 36.565 -1.747 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.856 38.965 -2.520 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.889 36.004 -1.660 1.00 0.00 C ATOM 0 H ILE A 61 -7.087 35.928 -4.128 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.506 38.100 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.062 37.250 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.669 37.016 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.081 35.737 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.790 38.800 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.999 39.669 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.295 39.374 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.819 35.273 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.622 35.530 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.204 36.828 -1.462 1.00 0.00 H new ATOM 979 N GLN A 62 -8.340 39.925 -3.544 1.00 0.00 N ATOM 980 CA GLN A 62 -8.927 40.899 -4.460 1.00 0.00 C ATOM 981 C GLN A 62 -8.119 42.237 -4.554 1.00 0.00 C ATOM 982 O GLN A 62 -7.312 42.537 -3.703 1.00 0.00 O ATOM 983 CB GLN A 62 -10.415 41.141 -4.084 1.00 0.00 C ATOM 984 CG GLN A 62 -11.293 39.840 -3.891 1.00 0.00 C ATOM 985 CD GLN A 62 -11.194 38.764 -5.005 1.00 0.00 C ATOM 986 OE1 GLN A 62 -11.530 37.573 -4.790 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.072 39.085 -6.252 1.00 0.00 N ATOM 0 H GLN A 62 -8.613 40.029 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.878 40.474 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.448 41.720 -3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.872 41.754 -4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.013 39.377 -2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.336 40.143 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.802 40.034 -6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.246 38.389 -6.977 1.00 0.00 H new ATOM 996 N LYS A 63 -8.433 43.061 -5.566 1.00 0.00 N ATOM 997 CA LYS A 63 -7.869 44.436 -5.738 1.00 0.00 C ATOM 998 C LYS A 63 -7.783 45.339 -4.486 1.00 0.00 C ATOM 999 O LYS A 63 -8.751 45.517 -3.754 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.682 45.126 -6.927 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.228 45.330 -6.666 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.868 46.424 -7.632 1.00 0.00 C ATOM 1003 CE LYS A 63 -12.298 46.797 -7.119 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.831 47.960 -7.916 1.00 0.00 N ATOM 0 H LYS A 63 -9.090 42.802 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.811 44.312 -5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.235 46.098 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.560 44.522 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.745 44.381 -6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.382 45.630 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.237 47.312 -7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.924 46.038 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.965 45.940 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.260 47.055 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.782 48.208 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.198 48.778 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.881 47.698 -8.921 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.568 45.939 -4.311 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.244 46.812 -3.189 1.00 0.00 C ATOM 1020 C GLU A 64 -6.176 46.048 -1.900 1.00 0.00 C ATOM 1021 O GLU A 64 -6.151 46.636 -0.848 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.161 48.092 -3.208 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.948 48.934 -4.534 1.00 0.00 C ATOM 1024 CD GLU A 64 -7.953 50.110 -4.732 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.173 49.947 -4.499 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -7.507 51.152 -5.189 1.00 0.00 O ATOM 0 H GLU A 64 -5.793 45.816 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.233 47.205 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.206 47.794 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.939 48.714 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.935 49.337 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.023 48.263 -5.390 1.00 0.00 H new ATOM 1033 N SER A 65 -5.967 44.685 -1.947 1.00 0.00 N ATOM 1034 CA SER A 65 -5.508 43.921 -0.827 1.00 0.00 C ATOM 1035 C SER A 65 -4.025 44.225 -0.540 1.00 0.00 C ATOM 1036 O SER A 65 -3.219 44.342 -1.452 1.00 0.00 O ATOM 1037 CB SER A 65 -5.578 42.378 -1.047 1.00 0.00 C ATOM 1038 OG SER A 65 -6.923 41.867 -1.028 1.00 0.00 O ATOM 0 H SER A 65 -6.126 44.126 -2.785 1.00 0.00 H new ATOM 0 HA SER A 65 -6.170 44.207 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.115 42.132 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.995 41.879 -0.273 1.00 0.00 H new ATOM 0 HG SER A 65 -7.330 41.985 -1.911 1.00 0.00 H new ATOM 1044 N THR A 66 -3.763 44.364 0.777 1.00 0.00 N ATOM 1045 CA THR A 66 -2.461 44.724 1.360 1.00 0.00 C ATOM 1046 C THR A 66 -1.886 43.418 1.869 1.00 0.00 C ATOM 1047 O THR A 66 -2.443 42.818 2.807 1.00 0.00 O ATOM 1048 CB THR A 66 -2.511 45.677 2.611 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.240 46.872 2.251 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.015 46.047 3.098 1.00 0.00 C ATOM 0 H THR A 66 -4.482 44.222 1.487 1.00 0.00 H new ATOM 0 HA THR A 66 -1.897 45.250 0.589 1.00 0.00 H new ATOM 0 HB THR A 66 -3.015 45.176 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.281 47.475 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.067 46.707 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.484 45.134 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.483 46.550 2.290 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.797 42.976 1.220 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.130 41.718 1.666 1.00 0.00 C ATOM 1060 C LEU A 67 1.177 42.046 2.417 1.00 0.00 C ATOM 1061 O LEU A 67 2.040 42.782 1.925 1.00 0.00 O ATOM 1062 CB LEU A 67 0.136 40.761 0.467 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.153 40.476 -0.371 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -0.773 39.596 -1.659 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.336 39.859 0.431 1.00 0.00 C ATOM 0 H LEU A 67 -0.366 43.438 0.419 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.801 41.199 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.897 41.198 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.538 39.819 0.841 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.536 41.446 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.672 39.398 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.055 40.140 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.334 38.652 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.183 39.698 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.026 38.906 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.628 40.540 1.230 1.00 0.00 H new ATOM 1077 N HIS A 68 1.328 41.571 3.685 1.00 0.00 N ATOM 1078 CA HIS A 68 2.593 41.755 4.406 1.00 0.00 C ATOM 1079 C HIS A 68 3.641 40.819 3.764 1.00 0.00 C ATOM 1080 O HIS A 68 3.260 39.734 3.375 1.00 0.00 O ATOM 1081 CB HIS A 68 2.500 41.423 5.897 1.00 0.00 C ATOM 1082 CG HIS A 68 1.735 42.508 6.599 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.417 42.407 6.888 1.00 0.00 N ATOM 1084 CD2 HIS A 68 2.192 43.659 7.197 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.113 43.472 7.650 1.00 0.00 C ATOM 1086 NE2 HIS A 68 1.176 44.262 7.891 1.00 0.00 N ATOM 0 H HIS A 68 0.605 41.074 4.205 1.00 0.00 H new ATOM 0 HA HIS A 68 2.864 42.808 4.331 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.004 40.463 6.037 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.499 41.331 6.324 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.203 44.033 7.130 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.878 43.672 8.028 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.216 45.110 8.457 1.00 0.00 H new ATOM 1094 N LEU A 69 4.799 41.353 3.574 1.00 0.00 N ATOM 1095 CA LEU A 69 5.968 40.601 2.965 1.00 0.00 C ATOM 1096 C LEU A 69 6.999 40.438 4.048 1.00 0.00 C ATOM 1097 O LEU A 69 7.331 41.400 4.747 1.00 0.00 O ATOM 1098 CB LEU A 69 6.516 41.427 1.789 1.00 0.00 C ATOM 1099 CG LEU A 69 7.919 40.912 1.264 1.00 0.00 C ATOM 1100 CD1 LEU A 69 7.788 39.590 0.508 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.466 41.937 0.292 1.00 0.00 C ATOM 0 H LEU A 69 5.015 42.319 3.819 1.00 0.00 H new ATOM 0 HA LEU A 69 5.680 39.620 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.797 41.402 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.611 42.468 2.098 1.00 0.00 H new ATOM 0 HG LEU A 69 8.572 40.766 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.771 39.269 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.370 38.832 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.129 39.725 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.433 41.603 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.774 42.053 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.585 42.894 0.801 1.00 0.00 H new ATOM 1113 N VAL A 70 7.458 39.160 4.282 1.00 0.00 N ATOM 1114 CA VAL A 70 8.392 38.846 5.304 1.00 0.00 C ATOM 1115 C VAL A 70 9.626 38.273 4.575 1.00 0.00 C ATOM 1116 O VAL A 70 9.539 37.305 3.769 1.00 0.00 O ATOM 1117 CB VAL A 70 7.800 37.862 6.333 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.947 37.197 7.182 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.864 38.734 7.280 1.00 0.00 C ATOM 0 H VAL A 70 7.159 38.351 3.737 1.00 0.00 H new ATOM 0 HA VAL A 70 8.662 39.725 5.889 1.00 0.00 H new ATOM 0 HB VAL A 70 7.249 37.060 5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.512 36.505 7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.621 36.654 6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.503 37.971 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.412 38.092 8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.459 39.506 7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.080 39.202 6.685 1.00 0.00 H new