USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 843 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 99 ASN : amide:sc= -0.597 K(o=-0.61,f=-1.3) USER MOD Set 1.2: A 102 MET CE :methyl -168:sc= -0.0138 (180deg=-0.197) USER MOD Set 2.1: A 93 ASN : amide:sc= -0.549 K(o=-0.55,f=-12!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 51 THR OG1 : rot 27:sc= 0.79 USER MOD Set 3.2: A 97 MET CE :methyl -124:sc= -0.0483 (180deg=-1.26) USER MOD Set 4.1: A 19 ASN :FLIP amide:sc= 0.329 F(o=-1.2,f=1.5) USER MOD Set 4.2: A 28 THR OG1 : rot 155:sc= 1.21 USER MOD Set 4.3: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -31:sc= 0.00472 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 136:sc= -0.112! USER MOD Single : A 32 THR OG1 : rot 61:sc= 0.783 USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= -0.0752 (180deg=-1.65!) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.825 F(o=-3.5!,f=0.83) USER MOD Single : A 43 SER OG : rot 170:sc= 0 USER MOD Single : A 44 THR OG1 : rot -34:sc= 1.04 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0144 F(o=-1.3!,f=-0.014) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.101 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.0623 (180deg=-0.316) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 139:sc= 0.82 (180deg=0.0677) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 0.849 (180deg=0.565) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 78 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 179:sc= 0 (180deg=-0.000451) USER MOD Single : A 90 SER OG : rot 160:sc= -0.413 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 77:sc= 0.0618 USER MOD Single : A 105 GLN : amide:sc= -1.54! C(o=-1.5!,f=-5.2!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -130:sc= 0.113 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.041 -2.422 -0.246 1.00 25.00 N ATOM 47 CA SER A 4 15.820 -2.274 1.193 1.00 25.00 C ATOM 48 C SER A 4 16.249 -0.888 1.675 1.00 25.00 C ATOM 49 O SER A 4 17.168 -0.280 1.116 1.00 25.00 O ATOM 50 CB SER A 4 16.587 -3.365 1.960 1.00 25.00 C ATOM 51 OG SER A 4 17.994 -3.206 1.840 1.00 25.00 O ATOM 0 HA SER A 4 14.753 -2.384 1.387 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.306 -3.334 3.013 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.299 -4.346 1.582 1.00 25.00 H new ATOM 0 HG SER A 4 18.205 -2.804 0.971 1.00 25.00 H new ATOM 57 N GLY A 5 15.566 -0.407 2.717 1.00 25.00 N ATOM 58 CA GLY A 5 15.883 0.882 3.307 1.00 25.00 C ATOM 59 C GLY A 5 15.426 0.974 4.748 1.00 25.00 C ATOM 60 O GLY A 5 15.941 0.263 5.612 1.00 25.00 O ATOM 0 H GLY A 5 14.791 -0.896 3.165 1.00 25.00 H new ATOM 0 HA2 GLY A 5 16.959 1.049 3.256 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.410 1.673 2.725 1.00 25.00 H new ATOM 64 N ALA A 6 14.460 1.866 5.002 1.00 25.00 N ATOM 65 CA ALA A 6 13.861 2.024 6.332 1.00 25.00 C ATOM 66 C ALA A 6 12.402 2.467 6.213 1.00 25.00 C ATOM 67 O ALA A 6 12.104 3.461 5.540 1.00 25.00 O ATOM 68 CB ALA A 6 14.647 3.028 7.163 1.00 25.00 C ATOM 0 H ALA A 6 14.074 2.494 4.297 1.00 25.00 H new ATOM 0 HA ALA A 6 13.895 1.058 6.835 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.185 3.129 8.145 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.673 2.680 7.279 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.647 3.995 6.661 1.00 25.00 H new ATOM 74 N ALA A 7 11.493 1.725 6.863 1.00 25.00 N ATOM 75 CA ALA A 7 10.054 2.014 6.785 1.00 25.00 C ATOM 76 C ALA A 7 9.337 1.752 8.115 1.00 25.00 C ATOM 77 O ALA A 7 9.769 0.915 8.911 1.00 25.00 O ATOM 78 CB ALA A 7 9.411 1.191 5.678 1.00 25.00 C ATOM 0 H ALA A 7 11.728 0.923 7.447 1.00 25.00 H new ATOM 0 HA ALA A 7 9.950 3.075 6.559 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.345 1.414 5.631 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.876 1.438 4.724 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.550 0.130 5.886 1.00 25.00 H new ATOM 84 N ILE A 8 8.233 2.484 8.336 1.00 25.00 N ATOM 85 CA ILE A 8 7.375 2.299 9.516 1.00 25.00 C ATOM 86 C ILE A 8 6.030 1.696 9.079 1.00 25.00 C ATOM 87 O ILE A 8 5.460 2.100 8.063 1.00 25.00 O ATOM 88 CB ILE A 8 7.143 3.650 10.282 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.482 4.217 10.801 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.153 3.477 11.445 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.412 5.633 11.348 1.00 25.00 C ATOM 0 H ILE A 8 7.912 3.218 7.704 1.00 25.00 H new ATOM 0 HA ILE A 8 7.878 1.618 10.202 1.00 25.00 H new ATOM 0 HB ILE A 8 6.710 4.358 9.575 1.00 25.00 H new ATOM 0 HG12 ILE A 8 8.858 3.559 11.585 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.208 4.193 9.989 1.00 25.00 H new ATOM 0 HG21 ILE A 8 6.017 4.432 11.952 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.194 3.132 11.058 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.545 2.744 12.150 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.401 5.941 11.687 1.00 25.00 H new ATOM 0 HD12 ILE A 8 8.070 6.309 10.564 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.715 5.666 12.185 1.00 25.00 H new ATOM 103 N PHE A 9 5.541 0.729 9.863 1.00 25.00 N ATOM 104 CA PHE A 9 4.282 0.039 9.577 1.00 25.00 C ATOM 105 C PHE A 9 3.529 -0.214 10.879 1.00 25.00 C ATOM 106 O PHE A 9 4.040 -0.879 11.775 1.00 25.00 O ATOM 107 CB PHE A 9 4.560 -1.287 8.834 1.00 25.00 C ATOM 108 CG PHE A 9 3.339 -1.979 8.270 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.765 -1.542 7.086 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.770 -3.060 8.928 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.647 -2.170 6.570 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.655 -3.691 8.417 1.00 25.00 C ATOM 113 CZ PHE A 9 1.101 -3.259 7.232 1.00 25.00 C ATOM 0 H PHE A 9 6.006 0.405 10.711 1.00 25.00 H new ATOM 0 HA PHE A 9 3.663 0.665 8.934 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.255 -1.088 8.018 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.061 -1.971 9.520 1.00 25.00 H new ATOM 0 HD1 PHE A 9 3.196 -0.702 6.561 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.206 -3.412 9.852 1.00 25.00 H new ATOM 0 HE1 PHE A 9 1.200 -1.813 5.654 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.216 -4.524 8.946 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.243 -3.768 6.819 1.00 25.00 H new ATOM 123 N GLU A 10 2.302 0.329 10.967 1.00 25.00 N ATOM 124 CA GLU A 10 1.436 0.221 12.171 1.00 25.00 C ATOM 125 C GLU A 10 2.075 0.887 13.407 1.00 25.00 C ATOM 126 O GLU A 10 1.982 0.385 14.535 1.00 25.00 O ATOM 127 CB GLU A 10 1.061 -1.245 12.468 1.00 25.00 C ATOM 128 CG GLU A 10 0.216 -1.888 11.381 1.00 25.00 C ATOM 129 CD GLU A 10 -0.167 -3.320 11.704 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.499 -3.934 12.564 1.00 25.00 O ATOM 131 OE2 GLU A 10 -1.134 -3.827 11.096 1.00 25.00 O ATOM 0 H GLU A 10 1.875 0.858 10.207 1.00 25.00 H new ATOM 0 HA GLU A 10 0.518 0.765 11.947 1.00 25.00 H new ATOM 0 HB2 GLU A 10 1.974 -1.826 12.598 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.518 -1.288 13.412 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.689 -1.299 11.235 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.766 -1.867 10.440 1.00 25.00 H new ATOM 138 N LYS A 11 2.726 2.041 13.161 1.00 25.00 N ATOM 139 CA LYS A 11 3.364 2.894 14.205 1.00 25.00 C ATOM 140 C LYS A 11 4.611 2.255 14.844 1.00 25.00 C ATOM 141 O LYS A 11 5.295 2.898 15.649 1.00 25.00 O ATOM 142 CB LYS A 11 2.362 3.319 15.298 1.00 25.00 C ATOM 143 CG LYS A 11 1.245 4.229 14.783 1.00 25.00 C ATOM 144 CD LYS A 11 0.253 4.617 15.874 1.00 25.00 C ATOM 145 CE LYS A 11 -0.867 5.506 15.347 1.00 25.00 C ATOM 146 NZ LYS A 11 -1.841 5.864 16.414 1.00 25.00 N ATOM 0 H LYS A 11 2.830 2.420 12.220 1.00 25.00 H new ATOM 0 HA LYS A 11 3.699 3.785 13.674 1.00 25.00 H new ATOM 0 HB2 LYS A 11 1.918 2.427 15.739 1.00 25.00 H new ATOM 0 HB3 LYS A 11 2.901 3.834 16.093 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.684 5.132 14.359 1.00 25.00 H new ATOM 0 HG3 LYS A 11 0.713 3.724 13.977 1.00 25.00 H new ATOM 0 HD2 LYS A 11 -0.177 3.715 16.309 1.00 25.00 H new ATOM 0 HD3 LYS A 11 0.781 5.137 16.674 1.00 25.00 H new ATOM 0 HE2 LYS A 11 -0.440 6.416 14.925 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -1.387 4.993 14.538 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -2.587 6.469 16.015 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -2.268 4.997 16.799 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -1.350 6.376 17.175 1.00 25.00 H new ATOM 160 N VAL A 12 4.906 1.000 14.481 1.00 25.00 N ATOM 161 CA VAL A 12 6.145 0.334 14.895 1.00 25.00 C ATOM 162 C VAL A 12 7.203 0.522 13.795 1.00 25.00 C ATOM 163 O VAL A 12 7.000 0.106 12.651 1.00 25.00 O ATOM 164 CB VAL A 12 5.908 -1.187 15.247 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.203 -1.909 15.578 1.00 25.00 C ATOM 166 CG2 VAL A 12 4.900 -1.382 16.382 1.00 25.00 C ATOM 0 H VAL A 12 4.299 0.424 13.898 1.00 25.00 H new ATOM 0 HA VAL A 12 6.509 0.793 15.814 1.00 25.00 H new ATOM 0 HB VAL A 12 5.486 -1.629 14.344 1.00 25.00 H new ATOM 0 HG11 VAL A 12 6.988 -2.951 15.813 1.00 25.00 H new ATOM 0 HG12 VAL A 12 7.875 -1.861 14.721 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.676 -1.433 16.437 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.777 -2.447 16.580 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.264 -0.885 17.281 1.00 25.00 H new ATOM 0 HG23 VAL A 12 3.940 -0.953 16.094 1.00 25.00 H new ATOM 176 N SER A 13 8.316 1.174 14.155 1.00 25.00 N ATOM 177 CA SER A 13 9.361 1.510 13.187 1.00 25.00 C ATOM 178 C SER A 13 10.263 0.315 12.903 1.00 25.00 C ATOM 179 O SER A 13 10.644 -0.424 13.817 1.00 25.00 O ATOM 180 CB SER A 13 10.186 2.709 13.672 1.00 25.00 C ATOM 181 OG SER A 13 11.287 2.967 12.815 1.00 25.00 O ATOM 0 H SER A 13 8.513 1.478 15.109 1.00 25.00 H new ATOM 0 HA SER A 13 8.870 1.784 12.253 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.549 3.592 13.723 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.548 2.518 14.682 1.00 25.00 H new ATOM 0 HG SER A 13 11.790 3.738 13.152 1.00 25.00 H new ATOM 187 N GLY A 14 10.584 0.138 11.621 1.00 25.00 N ATOM 188 CA GLY A 14 11.380 -0.996 11.197 1.00 25.00 C ATOM 189 C GLY A 14 12.140 -0.741 9.914 1.00 25.00 C ATOM 190 O GLY A 14 12.390 0.411 9.544 1.00 25.00 O ATOM 0 H GLY A 14 10.303 0.766 10.868 1.00 25.00 H new ATOM 0 HA2 GLY A 14 12.087 -1.252 11.986 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.728 -1.859 11.061 1.00 25.00 H new ATOM 194 N ILE A 15 12.505 -1.832 9.248 1.00 25.00 N ATOM 195 CA ILE A 15 13.251 -1.783 7.993 1.00 25.00 C ATOM 196 C ILE A 15 12.501 -2.586 6.913 1.00 25.00 C ATOM 197 O ILE A 15 11.979 -3.671 7.190 1.00 25.00 O ATOM 198 CB ILE A 15 14.711 -2.330 8.202 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.607 -1.327 8.992 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.392 -2.744 6.890 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.910 -1.877 9.571 1.00 25.00 C ATOM 0 H ILE A 15 12.292 -2.778 9.563 1.00 25.00 H new ATOM 0 HA ILE A 15 13.330 -0.748 7.659 1.00 25.00 H new ATOM 0 HB ILE A 15 14.599 -3.232 8.804 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.853 -0.497 8.330 1.00 25.00 H new ATOM 0 HG13 ILE A 15 15.017 -0.917 9.812 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.396 -3.112 7.102 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.810 -3.531 6.411 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.454 -1.883 6.225 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.440 -1.082 10.095 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.686 -2.685 10.268 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.535 -2.258 8.763 1.00 25.00 H new ATOM 213 N ILE A 16 12.460 -2.039 5.689 1.00 25.00 N ATOM 214 CA ILE A 16 11.762 -2.681 4.571 1.00 25.00 C ATOM 215 C ILE A 16 12.763 -3.399 3.648 1.00 25.00 C ATOM 216 O ILE A 16 13.810 -2.844 3.312 1.00 25.00 O ATOM 217 CB ILE A 16 10.866 -1.631 3.810 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.373 -1.969 4.042 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.187 -1.505 2.302 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.466 -1.752 2.834 1.00 25.00 C ATOM 0 H ILE A 16 12.904 -1.152 5.450 1.00 25.00 H new ATOM 0 HA ILE A 16 11.090 -3.448 4.956 1.00 25.00 H new ATOM 0 HB ILE A 16 11.096 -0.651 4.228 1.00 25.00 H new ATOM 0 HG12 ILE A 16 9.296 -3.011 4.352 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.003 -1.362 4.869 1.00 25.00 H new ATOM 0 HG21 ILE A 16 10.528 -0.763 1.850 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.224 -1.194 2.175 1.00 25.00 H new ATOM 0 HG23 ILE A 16 11.035 -2.469 1.816 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.441 -2.016 3.096 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.505 -0.705 2.533 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.803 -2.380 2.009 1.00 25.00 H new ATOM 232 N ALA A 17 12.429 -4.635 3.264 1.00 25.00 N ATOM 233 CA ALA A 17 13.269 -5.434 2.362 1.00 25.00 C ATOM 234 C ALA A 17 12.426 -6.154 1.310 1.00 25.00 C ATOM 235 O ALA A 17 11.352 -6.671 1.623 1.00 25.00 O ATOM 236 CB ALA A 17 14.097 -6.439 3.156 1.00 25.00 C ATOM 0 H ALA A 17 11.577 -5.108 3.566 1.00 25.00 H new ATOM 0 HA ALA A 17 13.944 -4.753 1.843 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.714 -7.023 2.473 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.738 -5.907 3.859 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.432 -7.106 3.704 1.00 25.00 H new ATOM 242 N ILE A 18 12.922 -6.189 0.065 1.00 25.00 N ATOM 243 CA ILE A 18 12.233 -6.886 -1.031 1.00 25.00 C ATOM 244 C ILE A 18 12.846 -8.270 -1.265 1.00 25.00 C ATOM 245 O ILE A 18 14.068 -8.441 -1.308 1.00 25.00 O ATOM 246 CB ILE A 18 12.224 -6.041 -2.347 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.437 -4.761 -2.114 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.624 -6.795 -3.533 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.593 -3.728 -3.209 1.00 25.00 C ATOM 0 H ILE A 18 13.798 -5.743 -0.208 1.00 25.00 H new ATOM 0 HA ILE A 18 11.194 -7.019 -0.731 1.00 25.00 H new ATOM 0 HB ILE A 18 13.262 -5.821 -2.598 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.381 -5.011 -2.013 1.00 25.00 H new ATOM 0 HG13 ILE A 18 11.752 -4.321 -1.168 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.645 -6.158 -4.417 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.205 -7.698 -3.722 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.593 -7.068 -3.307 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.000 -2.847 -2.965 1.00 25.00 H new ATOM 0 HD12 ILE A 18 12.642 -3.446 -3.296 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.250 -4.146 -4.155 1.00 25.00 H new ATOM 261 N ASN A 19 11.947 -9.232 -1.412 1.00 25.00 N ATOM 262 CA ASN A 19 12.289 -10.628 -1.672 1.00 25.00 C ATOM 263 C ASN A 19 12.118 -10.979 -3.160 1.00 25.00 C ATOM 264 O ASN A 19 10.994 -11.075 -3.663 1.00 25.00 O ATOM 265 CB ASN A 19 11.395 -11.537 -0.806 1.00 25.00 C ATOM 266 CG ASN A 19 11.547 -11.314 0.696 1.00 25.00 C ATOM 267 OD1 ASN A 19 10.616 -11.841 1.492 1.00 25.00 O flip ATOM 268 ND2 ASN A 19 12.511 -10.691 1.140 1.00 25.00 N flip ATOM 0 H ASN A 19 10.943 -9.065 -1.354 1.00 25.00 H new ATOM 0 HA ASN A 19 13.337 -10.784 -1.415 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.353 -11.374 -1.083 1.00 25.00 H new ATOM 0 HB3 ASN A 19 11.626 -12.578 -1.033 1.00 25.00 H new ATOM 0 HD21 ASN A 19 13.204 -10.301 0.501 1.00 25.00 H new ATOM 0 HD22 ASN A 19 12.617 -10.564 2.147 1.00 25.00 H new ATOM 275 N GLU A 20 13.249 -11.149 -3.855 1.00 25.00 N ATOM 276 CA GLU A 20 13.269 -11.624 -5.246 1.00 25.00 C ATOM 277 C GLU A 20 14.125 -12.896 -5.339 1.00 25.00 C ATOM 278 O GLU A 20 14.837 -13.229 -4.387 1.00 25.00 O ATOM 279 CB GLU A 20 13.796 -10.537 -6.205 1.00 25.00 C ATOM 280 CG GLU A 20 12.904 -9.305 -6.332 1.00 25.00 C ATOM 281 CD GLU A 20 13.421 -8.315 -7.358 1.00 25.00 C ATOM 282 OE1 GLU A 20 13.448 -8.661 -8.557 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.802 -7.194 -6.961 1.00 25.00 O ATOM 0 H GLU A 20 14.175 -10.962 -3.471 1.00 25.00 H new ATOM 0 HA GLU A 20 12.248 -11.854 -5.550 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.782 -10.220 -5.865 1.00 25.00 H new ATOM 0 HB3 GLU A 20 13.926 -10.977 -7.194 1.00 25.00 H new ATOM 0 HG2 GLU A 20 11.897 -9.617 -6.609 1.00 25.00 H new ATOM 0 HG3 GLU A 20 12.830 -8.813 -5.362 1.00 25.00 H new ATOM 290 N ASP A 21 14.046 -13.612 -6.491 1.00 25.00 N ATOM 291 CA ASP A 21 14.681 -14.953 -6.679 1.00 25.00 C ATOM 292 C ASP A 21 13.965 -16.045 -5.864 1.00 25.00 C ATOM 293 O ASP A 21 14.370 -17.213 -5.847 1.00 25.00 O ATOM 294 CB ASP A 21 16.174 -14.939 -6.342 1.00 25.00 C ATOM 295 CG ASP A 21 17.001 -14.179 -7.361 1.00 25.00 C ATOM 296 OD1 ASP A 21 16.780 -14.378 -8.574 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.870 -13.384 -6.946 1.00 25.00 O ATOM 0 H ASP A 21 13.544 -13.282 -7.315 1.00 25.00 H new ATOM 0 HA ASP A 21 14.577 -15.190 -7.738 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.315 -14.490 -5.359 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.537 -15.965 -6.279 1.00 25.00 H new ATOM 302 N VAL A 22 12.890 -15.623 -5.214 1.00 25.00 N ATOM 303 CA VAL A 22 11.998 -16.477 -4.427 1.00 25.00 C ATOM 304 C VAL A 22 10.727 -16.781 -5.228 1.00 25.00 C ATOM 305 O VAL A 22 10.644 -16.452 -6.417 1.00 25.00 O ATOM 306 CB VAL A 22 11.634 -15.827 -3.043 1.00 25.00 C ATOM 307 CG1 VAL A 22 12.864 -15.750 -2.147 1.00 25.00 C ATOM 308 CG2 VAL A 22 10.992 -14.431 -3.188 1.00 25.00 C ATOM 0 H VAL A 22 12.601 -14.645 -5.217 1.00 25.00 H new ATOM 0 HA VAL A 22 12.525 -17.408 -4.218 1.00 25.00 H new ATOM 0 HB VAL A 22 10.889 -16.475 -2.581 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.592 -15.297 -1.194 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.252 -16.754 -1.974 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.630 -15.144 -2.631 1.00 25.00 H new ATOM 0 HG21 VAL A 22 10.762 -14.032 -2.200 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.686 -13.762 -3.697 1.00 25.00 H new ATOM 0 HG23 VAL A 22 10.074 -14.512 -3.769 1.00 25.00 H new ATOM 318 N SER A 23 9.746 -17.414 -4.576 1.00 25.00 N ATOM 319 CA SER A 23 8.425 -17.602 -5.173 1.00 25.00 C ATOM 320 C SER A 23 7.745 -16.222 -5.141 1.00 25.00 C ATOM 321 O SER A 23 8.204 -15.375 -4.371 1.00 25.00 O ATOM 322 CB SER A 23 7.656 -18.646 -4.358 1.00 25.00 C ATOM 323 OG SER A 23 7.338 -18.167 -3.061 1.00 25.00 O ATOM 0 H SER A 23 9.844 -17.803 -3.638 1.00 25.00 H new ATOM 0 HA SER A 23 8.468 -17.969 -6.199 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.739 -18.914 -4.882 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.252 -19.555 -4.275 1.00 25.00 H new ATOM 0 HG SER A 23 6.846 -18.857 -2.569 1.00 25.00 H new ATOM 329 N PRO A 24 6.636 -15.936 -5.899 1.00 25.00 N ATOM 330 CA PRO A 24 6.478 -14.607 -6.536 1.00 25.00 C ATOM 331 C PRO A 24 6.895 -13.449 -5.629 1.00 25.00 C ATOM 332 O PRO A 24 6.459 -13.346 -4.477 1.00 25.00 O ATOM 333 CB PRO A 24 4.977 -14.549 -6.818 1.00 25.00 C ATOM 334 CG PRO A 24 4.587 -15.968 -7.046 1.00 25.00 C ATOM 335 CD PRO A 24 5.448 -16.794 -6.132 1.00 25.00 C ATOM 0 HA PRO A 24 7.111 -14.501 -7.417 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.432 -14.117 -5.979 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.760 -13.932 -7.690 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.530 -16.121 -6.828 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.742 -16.251 -8.087 1.00 25.00 H new ATOM 0 HD2 PRO A 24 4.934 -17.028 -5.200 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.723 -17.744 -6.591 1.00 25.00 H new ATOM 343 N ALA A 25 7.759 -12.584 -6.197 1.00 25.00 N ATOM 344 CA ALA A 25 8.522 -11.580 -5.446 1.00 25.00 C ATOM 345 C ALA A 25 7.663 -10.746 -4.531 1.00 25.00 C ATOM 346 O ALA A 25 6.555 -10.332 -4.883 1.00 25.00 O ATOM 347 CB ALA A 25 9.322 -10.696 -6.388 1.00 25.00 C ATOM 0 H ALA A 25 7.945 -12.567 -7.200 1.00 25.00 H new ATOM 0 HA ALA A 25 9.210 -12.131 -4.805 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.880 -9.959 -5.810 1.00 25.00 H new ATOM 0 HB2 ALA A 25 10.017 -11.310 -6.961 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.644 -10.184 -7.070 1.00 25.00 H new ATOM 353 N GLU A 26 8.207 -10.527 -3.344 1.00 25.00 N ATOM 354 CA GLU A 26 7.465 -9.970 -2.239 1.00 25.00 C ATOM 355 C GLU A 26 8.123 -8.686 -1.722 1.00 25.00 C ATOM 356 O GLU A 26 9.182 -8.282 -2.196 1.00 25.00 O ATOM 357 CB GLU A 26 7.328 -11.008 -1.101 1.00 25.00 C ATOM 358 CG GLU A 26 7.223 -12.475 -1.538 1.00 25.00 C ATOM 359 CD GLU A 26 7.218 -13.437 -0.367 1.00 25.00 C ATOM 360 OE1 GLU A 26 8.092 -13.304 0.515 1.00 25.00 O ATOM 361 OE2 GLU A 26 6.337 -14.322 -0.330 1.00 25.00 O ATOM 0 H GLU A 26 9.182 -10.734 -3.126 1.00 25.00 H new ATOM 0 HA GLU A 26 6.468 -9.714 -2.597 1.00 25.00 H new ATOM 0 HB2 GLU A 26 8.188 -10.907 -0.439 1.00 25.00 H new ATOM 0 HB3 GLU A 26 6.443 -10.760 -0.514 1.00 25.00 H new ATOM 0 HG2 GLU A 26 6.311 -12.612 -2.119 1.00 25.00 H new ATOM 0 HG3 GLU A 26 8.059 -12.714 -2.196 1.00 25.00 H new ATOM 368 N LEU A 27 7.418 -8.009 -0.817 1.00 25.00 N ATOM 369 CA LEU A 27 7.921 -6.837 -0.110 1.00 25.00 C ATOM 370 C LEU A 27 7.736 -7.073 1.388 1.00 25.00 C ATOM 371 O LEU A 27 6.614 -7.053 1.900 1.00 25.00 O ATOM 372 CB LEU A 27 7.195 -5.572 -0.644 1.00 25.00 C ATOM 373 CG LEU A 27 7.413 -4.190 0.035 1.00 25.00 C ATOM 374 CD1 LEU A 27 8.815 -3.638 -0.166 1.00 25.00 C ATOM 375 CD2 LEU A 27 6.377 -3.160 -0.397 1.00 25.00 C ATOM 0 H LEU A 27 6.467 -8.265 -0.552 1.00 25.00 H new ATOM 0 HA LEU A 27 8.985 -6.673 -0.283 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.470 -5.462 -1.693 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.125 -5.779 -0.615 1.00 25.00 H new ATOM 0 HG LEU A 27 7.285 -4.378 1.101 1.00 25.00 H new ATOM 0 HD11 LEU A 27 8.901 -2.672 0.332 1.00 25.00 H new ATOM 0 HD12 LEU A 27 9.543 -4.330 0.257 1.00 25.00 H new ATOM 0 HD13 LEU A 27 9.008 -3.515 -1.232 1.00 25.00 H new ATOM 0 HD21 LEU A 27 6.574 -2.213 0.106 1.00 25.00 H new ATOM 0 HD22 LEU A 27 6.434 -3.017 -1.476 1.00 25.00 H new ATOM 0 HD23 LEU A 27 5.381 -3.512 -0.130 1.00 25.00 H new ATOM 387 N THR A 28 8.851 -7.313 2.076 1.00 25.00 N ATOM 388 CA THR A 28 8.821 -7.750 3.468 1.00 25.00 C ATOM 389 C THR A 28 9.289 -6.640 4.407 1.00 25.00 C ATOM 390 O THR A 28 10.463 -6.254 4.398 1.00 25.00 O ATOM 391 CB THR A 28 9.692 -9.021 3.670 1.00 25.00 C ATOM 392 OG1 THR A 28 9.162 -10.104 2.894 1.00 25.00 O ATOM 393 CG2 THR A 28 9.741 -9.454 5.137 1.00 25.00 C ATOM 0 H THR A 28 9.789 -7.211 1.689 1.00 25.00 H new ATOM 0 HA THR A 28 7.787 -7.993 3.712 1.00 25.00 H new ATOM 0 HB THR A 28 10.703 -8.773 3.346 1.00 25.00 H new ATOM 0 HG1 THR A 28 9.876 -10.747 2.699 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.360 -10.346 5.233 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.166 -8.651 5.739 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.732 -9.674 5.485 1.00 25.00 H new ATOM 401 N TRP A 29 8.349 -6.131 5.208 1.00 25.00 N ATOM 402 CA TRP A 29 8.670 -5.214 6.295 1.00 25.00 C ATOM 403 C TRP A 29 9.015 -6.011 7.553 1.00 25.00 C ATOM 404 O TRP A 29 8.321 -6.967 7.905 1.00 25.00 O ATOM 405 CB TRP A 29 7.498 -4.243 6.576 1.00 25.00 C ATOM 406 CG TRP A 29 7.740 -3.313 7.748 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.336 -2.086 7.711 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.415 -3.554 9.130 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.407 -1.552 8.977 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.847 -2.433 9.863 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.801 -4.610 9.820 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.686 -2.337 11.244 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.644 -4.510 11.190 1.00 25.00 C ATOM 414 CH2 TRP A 29 7.086 -3.381 11.887 1.00 25.00 C ATOM 0 H TRP A 29 7.355 -6.343 5.120 1.00 25.00 H new ATOM 0 HA TRP A 29 9.531 -4.615 5.998 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.311 -3.646 5.683 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.595 -4.824 6.766 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.700 -1.603 6.816 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.811 -0.647 9.217 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.457 -5.486 9.290 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 8.024 -1.467 11.787 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 6.172 -5.317 11.731 1.00 25.00 H new ATOM 0 HH2 TRP A 29 6.950 -3.334 12.957 1.00 25.00 H new ATOM 425 N ARG A 30 10.097 -5.606 8.207 1.00 25.00 N ATOM 426 CA ARG A 30 10.482 -6.173 9.494 1.00 25.00 C ATOM 427 C ARG A 30 10.693 -5.056 10.504 1.00 25.00 C ATOM 428 O ARG A 30 10.944 -3.909 10.123 1.00 25.00 O ATOM 429 CB ARG A 30 11.753 -7.015 9.369 1.00 25.00 C ATOM 430 CG ARG A 30 11.607 -8.224 8.464 1.00 25.00 C ATOM 431 CD ARG A 30 12.859 -9.069 8.464 1.00 25.00 C ATOM 432 NE ARG A 30 14.027 -8.331 7.970 1.00 25.00 N ATOM 433 CZ ARG A 30 14.415 -8.279 6.686 1.00 25.00 C ATOM 434 NH1 ARG A 30 13.742 -8.922 5.734 1.00 25.00 N ATOM 435 NH2 ARG A 30 15.488 -7.573 6.356 1.00 25.00 N ATOM 0 H ARG A 30 10.728 -4.881 7.864 1.00 25.00 H new ATOM 0 HA ARG A 30 9.679 -6.825 9.836 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.558 -6.385 8.989 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.053 -7.351 10.362 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.760 -8.826 8.793 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.389 -7.895 7.448 1.00 25.00 H new ATOM 0 HD2 ARG A 30 13.056 -9.423 9.476 1.00 25.00 H new ATOM 0 HD3 ARG A 30 12.700 -9.951 7.844 1.00 25.00 H new ATOM 0 HE ARG A 30 14.586 -7.819 8.653 1.00 25.00 H new ATOM 0 HH11 ARG A 30 12.914 -9.467 5.974 1.00 25.00 H new ATOM 0 HH12 ARG A 30 14.054 -8.869 4.764 1.00 25.00 H new ATOM 0 HH21 ARG A 30 16.012 -7.075 7.076 1.00 25.00 H new ATOM 0 HH22 ARG A 30 15.790 -7.528 5.383 1.00 25.00 H new ATOM 449 N SER A 31 10.583 -5.392 11.795 1.00 25.00 N ATOM 450 CA SER A 31 10.820 -4.426 12.873 1.00 25.00 C ATOM 451 C SER A 31 12.313 -4.048 12.917 1.00 25.00 C ATOM 452 O SER A 31 13.125 -4.713 12.265 1.00 25.00 O ATOM 453 CB SER A 31 10.330 -5.012 14.215 1.00 25.00 C ATOM 454 OG SER A 31 11.111 -6.115 14.650 1.00 25.00 O ATOM 0 H SER A 31 10.331 -6.326 12.118 1.00 25.00 H new ATOM 0 HA SER A 31 10.255 -3.513 12.686 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.353 -4.233 14.977 1.00 25.00 H new ATOM 0 HB3 SER A 31 9.291 -5.326 14.112 1.00 25.00 H new ATOM 0 HG SER A 31 11.299 -6.025 15.607 1.00 25.00 H new ATOM 460 N THR A 32 12.681 -2.998 13.664 1.00 25.00 N ATOM 461 CA THR A 32 14.095 -2.559 13.740 1.00 25.00 C ATOM 462 C THR A 32 15.038 -3.690 14.202 1.00 25.00 C ATOM 463 O THR A 32 16.213 -3.723 13.818 1.00 25.00 O ATOM 464 CB THR A 32 14.280 -1.322 14.647 1.00 25.00 C ATOM 465 OG1 THR A 32 13.401 -0.266 14.237 1.00 25.00 O ATOM 466 CG2 THR A 32 15.728 -0.839 14.619 1.00 25.00 C ATOM 0 H THR A 32 12.034 -2.439 14.220 1.00 25.00 H new ATOM 0 HA THR A 32 14.367 -2.281 12.722 1.00 25.00 H new ATOM 0 HB THR A 32 14.033 -1.611 15.668 1.00 25.00 H new ATOM 0 HG1 THR A 32 12.471 -0.569 14.307 1.00 25.00 H new ATOM 0 HG21 THR A 32 15.833 0.033 15.265 1.00 25.00 H new ATOM 0 HG22 THR A 32 16.384 -1.634 14.973 1.00 25.00 H new ATOM 0 HG23 THR A 32 16.002 -0.570 13.599 1.00 25.00 H new ATOM 474 N ASP A 33 14.498 -4.618 15.004 1.00 25.00 N ATOM 475 CA ASP A 33 15.207 -5.848 15.373 1.00 25.00 C ATOM 476 C ASP A 33 14.721 -7.020 14.497 1.00 25.00 C ATOM 477 O ASP A 33 15.459 -7.981 14.263 1.00 25.00 O ATOM 478 CB ASP A 33 14.992 -6.154 16.866 1.00 25.00 C ATOM 479 CG ASP A 33 15.488 -5.046 17.785 1.00 25.00 C ATOM 480 OD1 ASP A 33 16.663 -4.644 17.648 1.00 25.00 O ATOM 481 OD2 ASP A 33 14.701 -4.583 18.636 1.00 25.00 O ATOM 0 H ASP A 33 13.566 -4.538 15.411 1.00 25.00 H new ATOM 0 HA ASP A 33 16.275 -5.711 15.202 1.00 25.00 H new ATOM 0 HB2 ASP A 33 13.930 -6.318 17.047 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.505 -7.082 17.117 1.00 25.00 H new ATOM 486 N GLY A 34 13.469 -6.913 14.024 1.00 25.00 N ATOM 487 CA GLY A 34 12.877 -7.912 13.138 1.00 25.00 C ATOM 488 C GLY A 34 11.989 -8.914 13.861 1.00 25.00 C ATOM 489 O GLY A 34 11.702 -9.987 13.323 1.00 25.00 O ATOM 0 H GLY A 34 12.848 -6.135 14.246 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.290 -7.405 12.372 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.675 -8.449 12.625 1.00 25.00 H new ATOM 493 N ASP A 35 11.556 -8.562 15.084 1.00 25.00 N ATOM 494 CA ASP A 35 10.638 -9.398 15.871 1.00 25.00 C ATOM 495 C ASP A 35 9.230 -9.401 15.245 1.00 25.00 C ATOM 496 O ASP A 35 8.497 -10.389 15.354 1.00 25.00 O ATOM 497 CB ASP A 35 10.589 -8.894 17.324 1.00 25.00 C ATOM 498 CG ASP A 35 10.089 -7.463 17.450 1.00 25.00 C ATOM 499 OD1 ASP A 35 10.853 -6.535 17.110 1.00 25.00 O ATOM 500 OD2 ASP A 35 8.934 -7.273 17.886 1.00 25.00 O ATOM 0 H ASP A 35 11.831 -7.697 15.550 1.00 25.00 H new ATOM 0 HA ASP A 35 11.006 -10.424 15.868 1.00 25.00 H new ATOM 0 HB2 ASP A 35 9.942 -9.550 17.907 1.00 25.00 H new ATOM 0 HB3 ASP A 35 11.586 -8.962 17.758 1.00 25.00 H new ATOM 505 N LYS A 36 8.874 -8.284 14.592 1.00 25.00 N ATOM 506 CA LYS A 36 7.614 -8.169 13.858 1.00 25.00 C ATOM 507 C LYS A 36 7.897 -8.123 12.357 1.00 25.00 C ATOM 508 O LYS A 36 8.805 -7.413 11.916 1.00 25.00 O ATOM 509 CB LYS A 36 6.855 -6.910 14.292 1.00 25.00 C ATOM 510 CG LYS A 36 6.330 -6.972 15.712 1.00 25.00 C ATOM 511 CD LYS A 36 5.716 -5.644 16.122 1.00 25.00 C ATOM 512 CE LYS A 36 6.025 -5.328 17.570 1.00 25.00 C ATOM 513 NZ LYS A 36 7.361 -4.692 17.730 1.00 25.00 N ATOM 0 H LYS A 36 9.450 -7.443 14.560 1.00 25.00 H new ATOM 0 HA LYS A 36 6.994 -9.038 14.080 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.515 -6.048 14.196 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.019 -6.749 13.612 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.584 -7.763 15.794 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.142 -7.228 16.393 1.00 25.00 H new ATOM 0 HD2 LYS A 36 6.100 -4.849 15.483 1.00 25.00 H new ATOM 0 HD3 LYS A 36 4.636 -5.678 15.976 1.00 25.00 H new ATOM 0 HE2 LYS A 36 5.258 -4.664 17.968 1.00 25.00 H new ATOM 0 HE3 LYS A 36 5.988 -6.246 18.157 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 7.956 -5.284 18.343 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 7.813 -4.595 16.798 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 7.249 -3.752 18.160 1.00 25.00 H new ATOM 527 N VAL A 37 7.119 -8.881 11.577 1.00 25.00 N ATOM 528 CA VAL A 37 7.366 -9.002 10.134 1.00 25.00 C ATOM 529 C VAL A 37 6.043 -9.084 9.329 1.00 25.00 C ATOM 530 O VAL A 37 5.122 -9.819 9.698 1.00 25.00 O ATOM 531 CB VAL A 37 8.315 -10.221 9.834 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.808 -11.534 10.440 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.570 -10.378 8.336 1.00 25.00 C ATOM 0 H VAL A 37 6.319 -9.416 11.916 1.00 25.00 H new ATOM 0 HA VAL A 37 7.874 -8.096 9.803 1.00 25.00 H new ATOM 0 HB VAL A 37 9.263 -9.992 10.321 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.504 -12.338 10.200 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.733 -11.430 11.522 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.826 -11.769 10.029 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.229 -11.229 8.166 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.624 -10.544 7.821 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.039 -9.473 7.950 1.00 25.00 H new ATOM 543 N HIS A 38 5.980 -8.308 8.235 1.00 25.00 N ATOM 544 CA HIS A 38 4.837 -8.314 7.308 1.00 25.00 C ATOM 545 C HIS A 38 5.341 -8.525 5.871 1.00 25.00 C ATOM 546 O HIS A 38 6.438 -8.078 5.528 1.00 25.00 O ATOM 547 CB HIS A 38 4.052 -6.993 7.425 1.00 25.00 C ATOM 548 CG HIS A 38 3.431 -6.753 8.774 1.00 25.00 C ATOM 549 ND1 HIS A 38 3.835 -5.980 9.812 1.00 25.00 N flip ATOM 550 CD2 HIS A 38 2.256 -7.350 9.181 1.00 25.00 C flip ATOM 551 CE1 HIS A 38 2.904 -6.122 10.813 1.00 25.00 C flip ATOM 552 NE2 HIS A 38 1.962 -6.952 10.407 1.00 25.00 N flip ATOM 0 H HIS A 38 6.720 -7.659 7.968 1.00 25.00 H new ATOM 0 HA HIS A 38 4.165 -9.132 7.567 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.723 -6.165 7.196 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.265 -6.985 6.670 1.00 25.00 H new ATOM 0 HD1 HIS A 38 4.674 -5.401 9.844 1.00 25.00 H new ATOM 0 HD2 HIS A 38 1.668 -8.036 8.590 1.00 25.00 H new ATOM 0 HE1 HIS A 38 2.938 -5.634 11.776 1.00 25.00 H new ATOM 561 N THR A 39 4.537 -9.205 5.037 1.00 25.00 N ATOM 562 CA THR A 39 4.957 -9.552 3.673 1.00 25.00 C ATOM 563 C THR A 39 3.903 -9.143 2.624 1.00 25.00 C ATOM 564 O THR A 39 2.718 -9.462 2.759 1.00 25.00 O ATOM 565 CB THR A 39 5.266 -11.073 3.565 1.00 25.00 C ATOM 566 OG1 THR A 39 6.373 -11.402 4.413 1.00 25.00 O ATOM 567 CG2 THR A 39 5.607 -11.492 2.134 1.00 25.00 C ATOM 0 H THR A 39 3.599 -9.523 5.283 1.00 25.00 H new ATOM 0 HA THR A 39 5.867 -8.990 3.462 1.00 25.00 H new ATOM 0 HB THR A 39 4.368 -11.607 3.874 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.564 -12.361 4.344 1.00 25.00 H new ATOM 0 HG21 THR A 39 5.815 -12.562 2.108 1.00 25.00 H new ATOM 0 HG22 THR A 39 4.764 -11.270 1.479 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.485 -10.943 1.794 1.00 25.00 H new ATOM 575 N VAL A 40 4.369 -8.427 1.587 1.00 25.00 N ATOM 576 CA VAL A 40 3.540 -8.024 0.447 1.00 25.00 C ATOM 577 C VAL A 40 4.010 -8.752 -0.833 1.00 25.00 C ATOM 578 O VAL A 40 5.049 -8.408 -1.391 1.00 25.00 O ATOM 579 CB VAL A 40 3.637 -6.469 0.270 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.913 -5.932 -0.968 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.124 -5.749 1.504 1.00 25.00 C ATOM 0 H VAL A 40 5.337 -8.112 1.519 1.00 25.00 H new ATOM 0 HA VAL A 40 2.501 -8.298 0.629 1.00 25.00 H new ATOM 0 HB VAL A 40 4.698 -6.266 0.127 1.00 25.00 H new ATOM 0 HG11 VAL A 40 3.029 -4.849 -1.016 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.340 -6.383 -1.864 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.854 -6.181 -0.907 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.202 -4.672 1.356 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.081 -6.017 1.675 1.00 25.00 H new ATOM 0 HG23 VAL A 40 3.720 -6.040 2.369 1.00 25.00 H new ATOM 591 N VAL A 41 3.227 -9.730 -1.310 1.00 25.00 N ATOM 592 CA VAL A 41 3.535 -10.425 -2.568 1.00 25.00 C ATOM 593 C VAL A 41 3.027 -9.566 -3.739 1.00 25.00 C ATOM 594 O VAL A 41 1.840 -9.240 -3.798 1.00 25.00 O ATOM 595 CB VAL A 41 2.900 -11.853 -2.621 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.246 -12.582 -3.921 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.366 -12.690 -1.434 1.00 25.00 C ATOM 0 H VAL A 41 2.379 -10.057 -0.846 1.00 25.00 H new ATOM 0 HA VAL A 41 4.614 -10.560 -2.637 1.00 25.00 H new ATOM 0 HB VAL A 41 1.819 -11.724 -2.578 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.786 -13.570 -3.918 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.871 -12.010 -4.770 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.328 -12.686 -4.003 1.00 25.00 H new ATOM 0 HG21 VAL A 41 2.914 -13.680 -1.487 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.452 -12.785 -1.459 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.066 -12.204 -0.506 1.00 25.00 H new ATOM 607 N LEU A 42 3.928 -9.202 -4.657 1.00 25.00 N ATOM 608 CA LEU A 42 3.602 -8.218 -5.704 1.00 25.00 C ATOM 609 C LEU A 42 2.724 -8.775 -6.833 1.00 25.00 C ATOM 610 O LEU A 42 2.033 -8.002 -7.506 1.00 25.00 O ATOM 611 CB LEU A 42 4.864 -7.583 -6.328 1.00 25.00 C ATOM 612 CG LEU A 42 5.669 -6.564 -5.481 1.00 25.00 C ATOM 613 CD1 LEU A 42 5.949 -5.286 -6.252 1.00 25.00 C ATOM 614 CD2 LEU A 42 4.970 -6.241 -4.173 1.00 25.00 C ATOM 0 H LEU A 42 4.880 -9.567 -4.700 1.00 25.00 H new ATOM 0 HA LEU A 42 3.028 -7.456 -5.176 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.540 -8.391 -6.607 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.565 -7.086 -7.251 1.00 25.00 H new ATOM 0 HG LEU A 42 6.622 -7.040 -5.251 1.00 25.00 H new ATOM 0 HD11 LEU A 42 6.515 -4.598 -5.623 1.00 25.00 H new ATOM 0 HD12 LEU A 42 6.527 -5.520 -7.146 1.00 25.00 H new ATOM 0 HD13 LEU A 42 5.006 -4.821 -6.541 1.00 25.00 H new ATOM 0 HD21 LEU A 42 5.566 -5.524 -3.609 1.00 25.00 H new ATOM 0 HD22 LEU A 42 3.989 -5.814 -4.381 1.00 25.00 H new ATOM 0 HD23 LEU A 42 4.852 -7.153 -3.589 1.00 25.00 H new ATOM 626 N SER A 43 2.748 -10.101 -7.050 1.00 25.00 N ATOM 627 CA SER A 43 1.846 -10.751 -8.028 1.00 25.00 C ATOM 628 C SER A 43 0.380 -10.659 -7.569 1.00 25.00 C ATOM 629 O SER A 43 -0.539 -11.080 -8.280 1.00 25.00 O ATOM 630 CB SER A 43 2.253 -12.216 -8.245 1.00 25.00 C ATOM 631 OG SER A 43 2.159 -12.963 -7.044 1.00 25.00 O ATOM 0 H SER A 43 3.376 -10.744 -6.567 1.00 25.00 H new ATOM 0 HA SER A 43 1.937 -10.223 -8.977 1.00 25.00 H new ATOM 0 HB2 SER A 43 1.613 -12.664 -9.005 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.274 -12.259 -8.623 1.00 25.00 H new ATOM 0 HG SER A 43 2.266 -13.917 -7.243 1.00 25.00 H new ATOM 637 N THR A 44 0.193 -10.092 -6.369 1.00 25.00 N ATOM 638 CA THR A 44 -1.128 -9.847 -5.793 1.00 25.00 C ATOM 639 C THR A 44 -1.371 -8.332 -5.649 1.00 25.00 C ATOM 640 O THR A 44 -2.393 -7.901 -5.108 1.00 25.00 O ATOM 641 CB THR A 44 -1.282 -10.535 -4.402 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.455 -9.895 -3.420 1.00 25.00 O ATOM 643 CG2 THR A 44 -0.907 -12.011 -4.463 1.00 25.00 C ATOM 0 H THR A 44 0.962 -9.790 -5.770 1.00 25.00 H new ATOM 0 HA THR A 44 -1.868 -10.275 -6.469 1.00 25.00 H new ATOM 0 HB THR A 44 -2.331 -10.443 -4.120 1.00 25.00 H new ATOM 0 HG1 THR A 44 0.373 -9.584 -3.842 1.00 25.00 H new ATOM 0 HG21 THR A 44 -1.026 -12.458 -3.476 1.00 25.00 H new ATOM 0 HG22 THR A 44 -1.556 -12.522 -5.174 1.00 25.00 H new ATOM 0 HG23 THR A 44 0.130 -12.110 -4.783 1.00 25.00 H new ATOM 651 N ILE A 45 -0.403 -7.544 -6.143 1.00 25.00 N ATOM 652 CA ILE A 45 -0.437 -6.077 -6.079 1.00 25.00 C ATOM 653 C ILE A 45 -0.614 -5.506 -7.493 1.00 25.00 C ATOM 654 O ILE A 45 -0.044 -6.028 -8.454 1.00 25.00 O ATOM 655 CB ILE A 45 0.880 -5.529 -5.418 1.00 25.00 C ATOM 656 CG1 ILE A 45 0.986 -5.955 -3.920 1.00 25.00 C ATOM 657 CG2 ILE A 45 1.032 -4.006 -5.562 1.00 25.00 C ATOM 658 CD1 ILE A 45 0.033 -5.258 -2.944 1.00 25.00 C ATOM 0 H ILE A 45 0.431 -7.911 -6.601 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.280 -5.762 -5.464 1.00 25.00 H new ATOM 0 HB ILE A 45 1.705 -5.983 -5.966 1.00 25.00 H new ATOM 0 HG12 ILE A 45 0.813 -7.029 -3.857 1.00 25.00 H new ATOM 0 HG13 ILE A 45 2.008 -5.776 -3.586 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.959 -3.686 -5.087 1.00 25.00 H new ATOM 0 HG22 ILE A 45 1.056 -3.741 -6.619 1.00 25.00 H new ATOM 0 HG23 ILE A 45 0.189 -3.509 -5.083 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.202 -5.638 -1.936 1.00 25.00 H new ATOM 0 HD12 ILE A 45 0.215 -4.184 -2.962 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -0.998 -5.456 -3.238 1.00 25.00 H new ATOM 670 N ASP A 46 -1.405 -4.432 -7.597 1.00 25.00 N ATOM 671 CA ASP A 46 -1.717 -3.818 -8.890 1.00 25.00 C ATOM 672 C ASP A 46 -1.077 -2.423 -9.022 1.00 25.00 C ATOM 673 O ASP A 46 -0.514 -2.106 -10.074 1.00 25.00 O ATOM 674 CB ASP A 46 -3.246 -3.758 -9.078 1.00 25.00 C ATOM 675 CG ASP A 46 -3.675 -3.126 -10.396 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.291 -3.655 -11.460 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.393 -2.107 -10.358 1.00 25.00 O ATOM 0 H ASP A 46 -1.841 -3.970 -6.799 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.291 -4.434 -9.682 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.650 -4.769 -9.021 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.683 -3.193 -8.255 1.00 25.00 H new ATOM 682 N LYS A 47 -1.167 -1.596 -7.963 1.00 25.00 N ATOM 683 CA LYS A 47 -0.592 -0.235 -7.995 1.00 25.00 C ATOM 684 C LYS A 47 0.223 0.069 -6.733 1.00 25.00 C ATOM 685 O LYS A 47 0.248 -0.724 -5.789 1.00 25.00 O ATOM 686 CB LYS A 47 -1.675 0.849 -8.129 1.00 25.00 C ATOM 687 CG LYS A 47 -2.440 0.859 -9.452 1.00 25.00 C ATOM 688 CD LYS A 47 -3.525 1.940 -9.479 1.00 25.00 C ATOM 689 CE LYS A 47 -4.270 1.981 -10.811 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.362 2.995 -10.819 1.00 25.00 N ATOM 0 H LYS A 47 -1.626 -1.841 -7.085 1.00 25.00 H new ATOM 0 HA LYS A 47 0.057 -0.214 -8.871 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.391 0.724 -7.317 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.207 1.824 -7.994 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.742 1.025 -10.273 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -2.897 -0.117 -9.614 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.236 1.758 -8.673 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.071 2.912 -9.289 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -3.565 2.204 -11.612 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -4.690 0.997 -11.020 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -5.838 2.985 -11.744 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -6.050 2.770 -10.073 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -4.961 3.939 -10.646 1.00 25.00 H new ATOM 704 N LEU A 48 0.891 1.242 -6.742 1.00 25.00 N ATOM 705 CA LEU A 48 1.700 1.716 -5.605 1.00 25.00 C ATOM 706 C LEU A 48 1.686 3.252 -5.591 1.00 25.00 C ATOM 707 O LEU A 48 1.985 3.881 -6.613 1.00 25.00 O ATOM 708 CB LEU A 48 3.172 1.219 -5.689 1.00 25.00 C ATOM 709 CG LEU A 48 3.717 0.967 -7.092 1.00 25.00 C ATOM 710 CD1 LEU A 48 4.153 2.267 -7.759 1.00 25.00 C ATOM 711 CD2 LEU A 48 4.868 -0.002 -7.034 1.00 25.00 C ATOM 0 H LEU A 48 0.883 1.883 -7.535 1.00 25.00 H new ATOM 0 HA LEU A 48 1.265 1.314 -4.690 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.811 1.954 -5.200 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.255 0.294 -5.118 1.00 25.00 H new ATOM 0 HG LEU A 48 2.917 0.535 -7.693 1.00 25.00 H new ATOM 0 HD11 LEU A 48 4.536 2.053 -8.757 1.00 25.00 H new ATOM 0 HD12 LEU A 48 3.300 2.941 -7.835 1.00 25.00 H new ATOM 0 HD13 LEU A 48 4.935 2.737 -7.163 1.00 25.00 H new ATOM 0 HD21 LEU A 48 5.249 -0.175 -8.040 1.00 25.00 H new ATOM 0 HD22 LEU A 48 5.661 0.412 -6.412 1.00 25.00 H new ATOM 0 HD23 LEU A 48 4.528 -0.946 -6.608 1.00 25.00 H new ATOM 723 N GLN A 49 1.334 3.853 -4.445 1.00 25.00 N ATOM 724 CA GLN A 49 1.221 5.321 -4.341 1.00 25.00 C ATOM 725 C GLN A 49 2.098 5.856 -3.200 1.00 25.00 C ATOM 726 O GLN A 49 1.878 5.521 -2.040 1.00 25.00 O ATOM 727 CB GLN A 49 -0.258 5.746 -4.128 1.00 25.00 C ATOM 728 CG GLN A 49 -1.194 5.388 -5.289 1.00 25.00 C ATOM 729 CD GLN A 49 -2.616 5.908 -5.117 1.00 25.00 C ATOM 730 OE1 GLN A 49 -2.865 6.576 -3.996 1.00 25.00 O flip ATOM 731 NE2 GLN A 49 -3.481 5.715 -5.974 1.00 25.00 N flip ATOM 0 H GLN A 49 1.123 3.353 -3.582 1.00 25.00 H new ATOM 0 HA GLN A 49 1.573 5.752 -5.278 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.631 5.275 -3.218 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.294 6.823 -3.967 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -0.780 5.789 -6.214 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -1.224 4.304 -5.398 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -3.252 5.197 -6.822 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -4.426 6.073 -5.835 1.00 25.00 H new ATOM 740 N ALA A 50 3.094 6.693 -3.540 1.00 25.00 N ATOM 741 CA ALA A 50 4.012 7.269 -2.539 1.00 25.00 C ATOM 742 C ALA A 50 3.816 8.782 -2.383 1.00 25.00 C ATOM 743 O ALA A 50 3.398 9.462 -3.325 1.00 25.00 O ATOM 744 CB ALA A 50 5.457 6.965 -2.914 1.00 25.00 C ATOM 0 H ALA A 50 3.284 6.986 -4.498 1.00 25.00 H new ATOM 0 HA ALA A 50 3.781 6.807 -1.579 1.00 25.00 H new ATOM 0 HB1 ALA A 50 6.125 7.395 -2.168 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.603 5.886 -2.953 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.678 7.396 -3.890 1.00 25.00 H new ATOM 750 N THR A 51 4.123 9.298 -1.172 1.00 25.00 N ATOM 751 CA THR A 51 4.032 10.743 -0.870 1.00 25.00 C ATOM 752 C THR A 51 5.068 11.548 -1.687 1.00 25.00 C ATOM 753 O THR A 51 6.272 11.318 -1.533 1.00 25.00 O ATOM 754 CB THR A 51 4.255 11.045 0.637 1.00 25.00 C ATOM 755 OG1 THR A 51 5.517 10.517 1.071 1.00 25.00 O ATOM 756 CG2 THR A 51 3.140 10.458 1.503 1.00 25.00 C ATOM 0 H THR A 51 4.438 8.731 -0.385 1.00 25.00 H new ATOM 0 HA THR A 51 3.021 11.045 -1.144 1.00 25.00 H new ATOM 0 HB THR A 51 4.248 12.129 0.753 1.00 25.00 H new ATOM 0 HG1 THR A 51 6.134 10.476 0.310 1.00 25.00 H new ATOM 0 HG21 THR A 51 3.332 10.691 2.550 1.00 25.00 H new ATOM 0 HG22 THR A 51 2.184 10.888 1.205 1.00 25.00 H new ATOM 0 HG23 THR A 51 3.108 9.376 1.371 1.00 25.00 H new ATOM 764 N PRO A 52 4.622 12.496 -2.582 1.00 25.00 N ATOM 765 CA PRO A 52 5.539 13.362 -3.367 1.00 25.00 C ATOM 766 C PRO A 52 6.588 14.079 -2.507 1.00 25.00 C ATOM 767 O PRO A 52 6.408 14.240 -1.297 1.00 25.00 O ATOM 768 CB PRO A 52 4.606 14.407 -3.991 1.00 25.00 C ATOM 769 CG PRO A 52 3.269 13.759 -4.081 1.00 25.00 C ATOM 770 CD PRO A 52 3.200 12.772 -2.918 1.00 25.00 C ATOM 0 HA PRO A 52 6.108 12.768 -4.083 1.00 25.00 H new ATOM 0 HB2 PRO A 52 4.563 15.308 -3.378 1.00 25.00 H new ATOM 0 HB3 PRO A 52 4.961 14.709 -4.976 1.00 25.00 H new ATOM 0 HG2 PRO A 52 2.472 14.499 -4.013 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.147 13.247 -5.035 1.00 25.00 H new ATOM 0 HD2 PRO A 52 2.666 13.196 -2.068 1.00 25.00 H new ATOM 0 HD3 PRO A 52 2.674 11.860 -3.201 1.00 25.00 H new ATOM 778 N ALA A 53 7.679 14.521 -3.158 1.00 25.00 N ATOM 779 CA ALA A 53 8.765 15.251 -2.484 1.00 25.00 C ATOM 780 C ALA A 53 8.343 16.677 -2.093 1.00 25.00 C ATOM 781 O ALA A 53 9.101 17.403 -1.441 1.00 25.00 O ATOM 782 CB ALA A 53 10.006 15.273 -3.364 1.00 25.00 C ATOM 0 H ALA A 53 7.831 14.383 -4.157 1.00 25.00 H new ATOM 0 HA ALA A 53 8.998 14.724 -1.559 1.00 25.00 H new ATOM 0 HB1 ALA A 53 10.803 15.816 -2.856 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.331 14.251 -3.561 1.00 25.00 H new ATOM 0 HB3 ALA A 53 9.775 15.768 -4.307 1.00 25.00 H new ATOM 788 N SER A 54 7.127 17.055 -2.506 1.00 25.00 N ATOM 789 CA SER A 54 6.511 18.322 -2.112 1.00 25.00 C ATOM 790 C SER A 54 5.477 18.112 -0.998 1.00 25.00 C ATOM 791 O SER A 54 5.093 19.063 -0.309 1.00 25.00 O ATOM 792 CB SER A 54 5.842 18.974 -3.319 1.00 25.00 C ATOM 793 OG SER A 54 4.813 18.153 -3.842 1.00 25.00 O ATOM 0 H SER A 54 6.545 16.489 -3.123 1.00 25.00 H new ATOM 0 HA SER A 54 7.296 18.976 -1.732 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.428 19.940 -3.030 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.587 19.164 -4.092 1.00 25.00 H new ATOM 0 HG SER A 54 4.401 18.596 -4.613 1.00 25.00 H new ATOM 799 N SER A 55 5.041 16.851 -0.829 1.00 25.00 N ATOM 800 CA SER A 55 4.057 16.473 0.191 1.00 25.00 C ATOM 801 C SER A 55 4.635 16.535 1.604 1.00 25.00 C ATOM 802 O SER A 55 5.762 16.100 1.853 1.00 25.00 O ATOM 803 CB SER A 55 3.519 15.075 -0.095 1.00 25.00 C ATOM 804 OG SER A 55 2.815 14.574 1.025 1.00 25.00 O ATOM 0 H SER A 55 5.363 16.068 -1.398 1.00 25.00 H new ATOM 0 HA SER A 55 3.243 17.196 0.142 1.00 25.00 H new ATOM 0 HB2 SER A 55 2.860 15.104 -0.963 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.343 14.406 -0.343 1.00 25.00 H new ATOM 0 HG SER A 55 2.475 13.677 0.823 1.00 25.00 H new ATOM 810 N GLU A 56 3.828 17.093 2.521 1.00 25.00 N ATOM 811 CA GLU A 56 4.152 17.185 3.961 1.00 25.00 C ATOM 812 C GLU A 56 4.419 15.820 4.581 1.00 25.00 C ATOM 813 O GLU A 56 5.161 15.689 5.558 1.00 25.00 O ATOM 814 CB GLU A 56 2.990 17.815 4.703 1.00 25.00 C ATOM 815 CG GLU A 56 2.519 19.127 4.115 1.00 25.00 C ATOM 816 CD GLU A 56 1.836 18.992 2.762 1.00 25.00 C ATOM 817 OE1 GLU A 56 0.839 18.243 2.673 1.00 25.00 O ATOM 818 OE2 GLU A 56 2.297 19.636 1.796 1.00 25.00 O ATOM 0 H GLU A 56 2.922 17.498 2.285 1.00 25.00 H new ATOM 0 HA GLU A 56 5.055 17.790 4.047 1.00 25.00 H new ATOM 0 HB2 GLU A 56 2.156 17.113 4.713 1.00 25.00 H new ATOM 0 HB3 GLU A 56 3.281 17.978 5.741 1.00 25.00 H new ATOM 0 HG2 GLU A 56 1.828 19.598 4.813 1.00 25.00 H new ATOM 0 HG3 GLU A 56 3.374 19.795 4.013 1.00 25.00 H new ATOM 825 N LYS A 57 3.781 14.827 3.981 1.00 25.00 N ATOM 826 CA LYS A 57 3.758 13.463 4.468 1.00 25.00 C ATOM 827 C LYS A 57 4.975 12.644 4.047 1.00 25.00 C ATOM 828 O LYS A 57 5.612 12.925 3.027 1.00 25.00 O ATOM 829 CB LYS A 57 2.504 12.792 3.931 1.00 25.00 C ATOM 830 CG LYS A 57 1.199 13.286 4.521 1.00 25.00 C ATOM 831 CD LYS A 57 -0.007 12.493 4.058 1.00 25.00 C ATOM 832 CE LYS A 57 -1.272 13.120 4.603 1.00 25.00 C ATOM 833 NZ LYS A 57 -1.290 13.152 6.093 1.00 25.00 N ATOM 0 H LYS A 57 3.252 14.955 3.119 1.00 25.00 H new ATOM 0 HA LYS A 57 3.771 13.504 5.557 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.471 12.933 2.851 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.581 11.720 4.110 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.260 13.240 5.608 1.00 25.00 H new ATOM 0 HG3 LYS A 57 1.061 14.334 4.253 1.00 25.00 H new ATOM 0 HD2 LYS A 57 -0.042 12.469 2.969 1.00 25.00 H new ATOM 0 HD3 LYS A 57 0.073 11.460 4.397 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -1.366 14.136 4.219 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -2.136 12.561 4.243 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -2.249 13.381 6.424 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -1.008 12.222 6.464 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.625 13.876 6.433 1.00 25.00 H new ATOM 847 N MET A 58 5.283 11.629 4.864 1.00 25.00 N ATOM 848 CA MET A 58 6.252 10.596 4.505 1.00 25.00 C ATOM 849 C MET A 58 5.587 9.225 4.605 1.00 25.00 C ATOM 850 O MET A 58 5.463 8.659 5.698 1.00 25.00 O ATOM 851 CB MET A 58 7.484 10.650 5.420 1.00 25.00 C ATOM 852 CG MET A 58 8.185 12.005 5.460 1.00 25.00 C ATOM 853 SD MET A 58 9.580 12.058 6.605 1.00 25.00 S ATOM 854 CE MET A 58 10.047 13.784 6.536 1.00 25.00 C ATOM 0 H MET A 58 4.868 11.504 5.787 1.00 25.00 H new ATOM 0 HA MET A 58 6.586 10.771 3.482 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.181 10.382 6.432 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.198 9.895 5.091 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.537 12.253 4.459 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.463 12.771 5.743 1.00 25.00 H new ATOM 0 HE1 MET A 58 10.897 13.958 7.196 1.00 25.00 H new ATOM 0 HE2 MET A 58 10.322 14.046 5.514 1.00 25.00 H new ATOM 0 HE3 MET A 58 9.207 14.401 6.856 1.00 25.00 H new ATOM 864 N MET A 59 5.156 8.699 3.451 1.00 25.00 N ATOM 865 CA MET A 59 4.417 7.434 3.382 1.00 25.00 C ATOM 866 C MET A 59 4.549 6.782 2.007 1.00 25.00 C ATOM 867 O MET A 59 4.795 7.459 1.005 1.00 25.00 O ATOM 868 CB MET A 59 2.928 7.655 3.697 1.00 25.00 C ATOM 869 CG MET A 59 2.642 8.241 5.081 1.00 25.00 C ATOM 870 SD MET A 59 0.904 8.668 5.425 1.00 25.00 S ATOM 871 CE MET A 59 0.925 9.393 7.065 1.00 25.00 C ATOM 0 H MET A 59 5.310 9.137 2.543 1.00 25.00 H new ATOM 0 HA MET A 59 4.852 6.768 4.127 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.507 8.320 2.943 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.407 6.702 3.608 1.00 25.00 H new ATOM 0 HG2 MET A 59 2.975 7.525 5.833 1.00 25.00 H new ATOM 0 HG3 MET A 59 3.247 9.139 5.206 1.00 25.00 H new ATOM 0 HE1 MET A 59 -0.088 9.679 7.349 1.00 25.00 H new ATOM 0 HE2 MET A 59 1.311 8.666 7.779 1.00 25.00 H new ATOM 0 HE3 MET A 59 1.565 10.276 7.064 1.00 25.00 H new ATOM 881 N LEU A 60 4.381 5.452 1.982 1.00 25.00 N ATOM 882 CA LEU A 60 4.403 4.677 0.742 1.00 25.00 C ATOM 883 C LEU A 60 3.249 3.670 0.749 1.00 25.00 C ATOM 884 O LEU A 60 3.178 2.803 1.624 1.00 25.00 O ATOM 885 CB LEU A 60 5.757 3.957 0.595 1.00 25.00 C ATOM 886 CG LEU A 60 5.839 2.851 -0.473 1.00 25.00 C ATOM 887 CD1 LEU A 60 6.359 3.400 -1.777 1.00 25.00 C ATOM 888 CD2 LEU A 60 6.736 1.705 -0.052 1.00 25.00 C ATOM 0 H LEU A 60 4.227 4.889 2.819 1.00 25.00 H new ATOM 0 HA LEU A 60 4.279 5.346 -0.109 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.517 4.705 0.370 1.00 25.00 H new ATOM 0 HB3 LEU A 60 6.016 3.519 1.559 1.00 25.00 H new ATOM 0 HG LEU A 60 4.823 2.476 -0.595 1.00 25.00 H new ATOM 0 HD11 LEU A 60 6.408 2.599 -2.515 1.00 25.00 H new ATOM 0 HD12 LEU A 60 5.690 4.183 -2.135 1.00 25.00 H new ATOM 0 HD13 LEU A 60 7.355 3.815 -1.626 1.00 25.00 H new ATOM 0 HD21 LEU A 60 6.759 0.952 -0.840 1.00 25.00 H new ATOM 0 HD22 LEU A 60 7.745 2.078 0.123 1.00 25.00 H new ATOM 0 HD23 LEU A 60 6.350 1.259 0.865 1.00 25.00 H new ATOM 900 N ARG A 61 2.352 3.789 -0.235 1.00 25.00 N ATOM 901 CA ARG A 61 1.141 2.962 -0.287 1.00 25.00 C ATOM 902 C ARG A 61 1.242 1.859 -1.342 1.00 25.00 C ATOM 903 O ARG A 61 1.843 2.042 -2.404 1.00 25.00 O ATOM 904 CB ARG A 61 -0.103 3.827 -0.534 1.00 25.00 C ATOM 905 CG ARG A 61 -1.401 3.057 -0.384 1.00 25.00 C ATOM 906 CD ARG A 61 -2.588 3.956 -0.066 1.00 25.00 C ATOM 907 NE ARG A 61 -2.513 4.475 1.303 1.00 25.00 N ATOM 908 CZ ARG A 61 -3.188 5.540 1.759 1.00 25.00 C ATOM 909 NH1 ARG A 61 -4.024 6.219 0.973 1.00 25.00 N ATOM 910 NH2 ARG A 61 -3.024 5.924 3.018 1.00 25.00 N ATOM 0 H ARG A 61 2.441 4.450 -1.007 1.00 25.00 H new ATOM 0 HA ARG A 61 1.044 2.478 0.685 1.00 25.00 H new ATOM 0 HB2 ARG A 61 -0.101 4.664 0.164 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.052 4.249 -1.538 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -1.602 2.510 -1.305 1.00 25.00 H new ATOM 0 HG3 ARG A 61 -1.289 2.317 0.408 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -2.616 4.787 -0.771 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -3.515 3.397 -0.195 1.00 25.00 H new ATOM 0 HE ARG A 61 -1.901 3.989 1.958 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -4.160 5.931 0.004 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -4.527 7.026 1.341 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -2.389 5.410 3.629 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -3.533 6.733 3.375 1.00 25.00 H new ATOM 924 N LEU A 62 0.642 0.709 -1.016 1.00 25.00 N ATOM 925 CA LEU A 62 0.663 -0.485 -1.863 1.00 25.00 C ATOM 926 C LEU A 62 -0.765 -1.016 -2.081 1.00 25.00 C ATOM 927 O LEU A 62 -1.353 -1.628 -1.186 1.00 25.00 O ATOM 928 CB LEU A 62 1.536 -1.569 -1.186 1.00 25.00 C ATOM 929 CG LEU A 62 3.062 -1.588 -1.450 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.349 -1.725 -2.929 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.783 -0.365 -0.881 1.00 25.00 C ATOM 0 H LEU A 62 0.123 0.581 -0.147 1.00 25.00 H new ATOM 0 HA LEU A 62 1.084 -0.229 -2.836 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.391 -1.481 -0.109 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.140 -2.540 -1.482 1.00 25.00 H new ATOM 0 HG LEU A 62 3.453 -2.459 -0.924 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.427 -1.736 -3.091 1.00 25.00 H new ATOM 0 HD12 LEU A 62 2.917 -2.655 -3.299 1.00 25.00 H new ATOM 0 HD13 LEU A 62 2.910 -0.883 -3.464 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.849 -0.437 -1.098 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.380 0.540 -1.337 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.635 -0.325 0.198 1.00 25.00 H new ATOM 943 N ILE A 63 -1.308 -0.790 -3.283 1.00 25.00 N ATOM 944 CA ILE A 63 -2.692 -1.178 -3.622 1.00 25.00 C ATOM 945 C ILE A 63 -2.722 -2.646 -4.085 1.00 25.00 C ATOM 946 O ILE A 63 -1.791 -3.115 -4.742 1.00 25.00 O ATOM 947 CB ILE A 63 -3.292 -0.238 -4.733 1.00 25.00 C ATOM 948 CG1 ILE A 63 -3.385 1.243 -4.290 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.685 -0.688 -5.184 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.659 2.235 -5.399 1.00 25.00 C ATOM 0 H ILE A 63 -0.808 -0.336 -4.047 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.308 -1.070 -2.729 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.591 -0.316 -5.564 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -4.173 1.332 -3.542 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -2.450 1.518 -3.802 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -5.056 -0.008 -5.951 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.627 -1.697 -5.591 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.364 -0.679 -4.331 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.705 3.242 -4.984 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -2.860 2.184 -6.139 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.610 1.995 -5.875 1.00 25.00 H new ATOM 962 N GLY A 64 -3.811 -3.343 -3.746 1.00 25.00 N ATOM 963 CA GLY A 64 -3.914 -4.769 -4.012 1.00 25.00 C ATOM 964 C GLY A 64 -4.738 -5.103 -5.239 1.00 25.00 C ATOM 965 O GLY A 64 -5.536 -4.285 -5.709 1.00 25.00 O ATOM 0 H GLY A 64 -4.628 -2.938 -3.288 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -2.912 -5.180 -4.136 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.355 -5.260 -3.145 1.00 25.00 H new ATOM 969 N LYS A 65 -4.534 -6.323 -5.748 1.00 25.00 N ATOM 970 CA LYS A 65 -5.280 -6.847 -6.894 1.00 25.00 C ATOM 971 C LYS A 65 -6.647 -7.372 -6.461 1.00 25.00 C ATOM 972 O LYS A 65 -6.749 -8.131 -5.490 1.00 25.00 O ATOM 973 CB LYS A 65 -4.474 -7.953 -7.570 1.00 25.00 C ATOM 974 CG LYS A 65 -5.100 -8.431 -8.862 1.00 25.00 C ATOM 975 CD LYS A 65 -4.396 -9.657 -9.400 1.00 25.00 C ATOM 976 CE LYS A 65 -3.014 -9.303 -9.924 1.00 25.00 C ATOM 977 NZ LYS A 65 -2.311 -10.476 -10.507 1.00 25.00 N ATOM 0 H LYS A 65 -3.845 -6.975 -5.375 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.442 -6.037 -7.605 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.467 -7.590 -7.773 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.377 -8.796 -6.885 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.153 -8.659 -8.695 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.061 -7.633 -9.603 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -4.310 -10.406 -8.613 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -4.990 -10.101 -10.199 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -3.104 -8.524 -10.681 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -2.415 -8.891 -9.112 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -1.816 -10.188 -11.375 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -1.621 -10.843 -9.821 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -3.003 -11.218 -10.733 1.00 25.00 H new ATOM 1019 N GLU A 68 -13.062 -9.460 -8.145 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.472 -9.051 -8.081 1.00 25.00 C ATOM 1021 C GLU A 68 -15.415 -10.126 -8.650 1.00 25.00 C ATOM 1022 O GLU A 68 -16.637 -9.955 -8.633 1.00 25.00 O ATOM 1023 CB GLU A 68 -14.684 -7.711 -8.807 1.00 25.00 C ATOM 1024 CG GLU A 68 -14.465 -7.775 -10.319 1.00 25.00 C ATOM 1025 CD GLU A 68 -14.569 -6.414 -10.980 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -14.679 -5.407 -10.250 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -14.541 -6.356 -12.228 1.00 25.00 O ATOM 0 HA GLU A 68 -14.721 -8.925 -7.027 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -15.698 -7.362 -8.613 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -14.005 -6.970 -8.384 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -13.482 -8.200 -10.523 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -15.201 -8.447 -10.761 1.00 25.00 H new ATOM 1034 N SER A 69 -14.839 -11.235 -9.145 1.00 25.00 N ATOM 1035 CA SER A 69 -15.622 -12.373 -9.661 1.00 25.00 C ATOM 1036 C SER A 69 -16.253 -13.192 -8.519 1.00 25.00 C ATOM 1037 O SER A 69 -17.142 -14.017 -8.751 1.00 25.00 O ATOM 1038 CB SER A 69 -14.736 -13.272 -10.535 1.00 25.00 C ATOM 1039 OG SER A 69 -13.752 -13.943 -9.762 1.00 25.00 O ATOM 0 H SER A 69 -13.829 -11.368 -9.199 1.00 25.00 H new ATOM 0 HA SER A 69 -16.434 -11.972 -10.268 1.00 25.00 H new ATOM 0 HB2 SER A 69 -15.356 -14.005 -11.051 1.00 25.00 H new ATOM 0 HB3 SER A 69 -14.249 -12.670 -11.302 1.00 25.00 H new ATOM 0 HG SER A 69 -13.206 -14.508 -10.347 1.00 25.00 H new ATOM 1045 N LYS A 70 -15.779 -12.940 -7.292 1.00 25.00 N ATOM 1046 CA LYS A 70 -16.308 -13.575 -6.076 1.00 25.00 C ATOM 1047 C LYS A 70 -17.349 -12.664 -5.393 1.00 25.00 C ATOM 1048 O LYS A 70 -17.407 -12.557 -4.161 1.00 25.00 O ATOM 1049 CB LYS A 70 -15.156 -13.890 -5.112 1.00 25.00 C ATOM 1050 CG LYS A 70 -14.234 -14.993 -5.623 1.00 25.00 C ATOM 1051 CD LYS A 70 -13.069 -15.297 -4.674 1.00 25.00 C ATOM 1052 CE LYS A 70 -12.183 -16.444 -5.161 1.00 25.00 C ATOM 1053 NZ LYS A 70 -11.041 -16.692 -4.240 1.00 25.00 N ATOM 0 H LYS A 70 -15.015 -12.288 -7.113 1.00 25.00 H new ATOM 0 HA LYS A 70 -16.804 -14.505 -6.353 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -14.572 -12.985 -4.945 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -15.568 -14.187 -4.147 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -14.816 -15.902 -5.776 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -13.836 -14.703 -6.595 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -12.460 -14.400 -4.556 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -13.465 -15.545 -3.689 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -12.780 -17.351 -5.251 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -11.803 -16.212 -6.156 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -10.465 -17.477 -4.605 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -10.456 -15.835 -4.173 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -11.403 -16.938 -3.297 1.00 25.00 H new ATOM 1067 N LYS A 71 -18.168 -12.024 -6.228 1.00 25.00 N ATOM 1068 CA LYS A 71 -19.236 -11.091 -5.793 1.00 25.00 C ATOM 1069 C LYS A 71 -20.045 -11.637 -4.613 1.00 25.00 C ATOM 1070 O LYS A 71 -20.705 -12.677 -4.716 1.00 25.00 O ATOM 1071 CB LYS A 71 -20.192 -10.814 -6.960 1.00 25.00 C ATOM 1072 CG LYS A 71 -21.238 -9.750 -6.671 1.00 25.00 C ATOM 1073 CD LYS A 71 -21.806 -9.170 -7.958 1.00 25.00 C ATOM 1074 CE LYS A 71 -20.763 -8.348 -8.691 1.00 25.00 C ATOM 1075 NZ LYS A 71 -21.362 -7.445 -9.720 1.00 25.00 N ATOM 0 H LYS A 71 -18.117 -12.133 -7.241 1.00 25.00 H new ATOM 0 HA LYS A 71 -18.744 -10.174 -5.470 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -19.608 -10.507 -7.828 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -20.698 -11.741 -7.228 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -22.044 -10.181 -6.077 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -20.794 -8.953 -6.075 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -22.156 -9.977 -8.601 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -22.671 -8.547 -7.730 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -20.204 -7.751 -7.970 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -20.050 -9.018 -9.172 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -20.632 -7.169 -10.407 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -22.131 -7.942 -10.213 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -21.741 -6.594 -9.257 1.00 25.00 H new ATOM 1089 N ARG A 72 -19.964 -10.917 -3.489 1.00 25.00 N ATOM 1090 CA ARG A 72 -20.586 -11.342 -2.244 1.00 25.00 C ATOM 1091 C ARG A 72 -21.874 -10.547 -2.001 1.00 25.00 C ATOM 1092 O ARG A 72 -21.967 -9.378 -2.375 1.00 25.00 O ATOM 1093 CB ARG A 72 -19.583 -11.144 -1.095 1.00 25.00 C ATOM 1094 CG ARG A 72 -20.085 -11.598 0.274 1.00 25.00 C ATOM 1095 CD ARG A 72 -18.959 -11.638 1.295 1.00 25.00 C ATOM 1096 NE ARG A 72 -18.394 -10.307 1.542 1.00 25.00 N ATOM 1097 CZ ARG A 72 -18.820 -9.458 2.491 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -19.827 -9.776 3.303 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -18.227 -8.279 2.627 1.00 25.00 N ATOM 0 H ARG A 72 -19.467 -10.029 -3.423 1.00 25.00 H new ATOM 0 HA ARG A 72 -20.855 -12.397 -2.300 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -18.669 -11.689 -1.331 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -19.319 -10.088 -1.039 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -20.867 -10.921 0.619 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -20.535 -12.587 0.188 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -19.333 -12.053 2.231 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -18.173 -12.306 0.942 1.00 25.00 H new ATOM 0 HE ARG A 72 -17.621 -10.004 0.949 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -20.291 -10.680 3.211 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -20.134 -9.116 4.017 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -17.454 -8.023 2.013 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -18.545 -7.628 3.345 1.00 25.00 H new ATOM 1113 N LYS A 73 -22.864 -11.206 -1.394 1.00 25.00 N ATOM 1114 CA LYS A 73 -24.126 -10.562 -1.024 1.00 25.00 C ATOM 1115 C LYS A 73 -24.398 -10.778 0.463 1.00 25.00 C ATOM 1116 O LYS A 73 -24.186 -11.877 0.988 1.00 25.00 O ATOM 1117 CB LYS A 73 -25.289 -11.108 -1.863 1.00 25.00 C ATOM 1118 CG LYS A 73 -25.125 -10.853 -3.348 1.00 25.00 C ATOM 1119 CD LYS A 73 -26.307 -11.364 -4.149 1.00 25.00 C ATOM 1120 CE LYS A 73 -26.117 -11.120 -5.641 1.00 25.00 C ATOM 1121 NZ LYS A 73 -27.197 -11.742 -6.460 1.00 25.00 N ATOM 0 H LYS A 73 -22.814 -12.194 -1.147 1.00 25.00 H new ATOM 0 HA LYS A 73 -24.041 -9.494 -1.223 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -25.379 -12.181 -1.693 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -26.219 -10.652 -1.523 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -25.006 -9.783 -3.521 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -24.213 -11.336 -3.700 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -26.437 -12.431 -3.967 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -27.218 -10.870 -3.811 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -26.093 -10.047 -5.831 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -25.152 -11.521 -5.952 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -27.024 -11.549 -7.467 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -27.205 -12.770 -6.301 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -28.116 -11.342 -6.184 1.00 25.00 H new ATOM 1135 N ASP A 74 -24.869 -9.721 1.133 1.00 25.00 N ATOM 1136 CA ASP A 74 -25.081 -9.736 2.589 1.00 25.00 C ATOM 1137 C ASP A 74 -26.374 -10.485 2.987 1.00 25.00 C ATOM 1138 O ASP A 74 -27.006 -11.116 2.136 1.00 25.00 O ATOM 1139 CB ASP A 74 -25.061 -8.291 3.145 1.00 25.00 C ATOM 1140 CG ASP A 74 -26.238 -7.439 2.686 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -27.201 -8.003 2.127 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -26.191 -6.208 2.894 1.00 25.00 O ATOM 0 H ASP A 74 -25.113 -8.836 0.688 1.00 25.00 H new ATOM 0 HA ASP A 74 -24.259 -10.292 3.040 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -25.056 -8.331 4.234 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -24.133 -7.807 2.840 1.00 25.00 H new ATOM 1147 N ASN A 75 -26.760 -10.407 4.276 1.00 25.00 N ATOM 1148 CA ASN A 75 -27.916 -11.156 4.821 1.00 25.00 C ATOM 1149 C ASN A 75 -29.231 -10.897 4.064 1.00 25.00 C ATOM 1150 O ASN A 75 -30.072 -11.796 3.950 1.00 25.00 O ATOM 1151 CB ASN A 75 -28.112 -10.808 6.303 1.00 25.00 C ATOM 1152 CG ASN A 75 -27.002 -11.342 7.200 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -26.297 -12.291 6.850 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -26.843 -10.728 8.367 1.00 25.00 N ATOM 0 H ASN A 75 -26.284 -9.827 4.967 1.00 25.00 H new ATOM 0 HA ASN A 75 -27.679 -12.213 4.697 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -28.167 -9.725 6.410 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -29.067 -11.210 6.640 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -26.116 -11.038 9.012 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -27.448 -9.946 8.619 1.00 25.00 H new ATOM 1161 N GLU A 76 -29.390 -9.681 3.530 1.00 25.00 N ATOM 1162 CA GLU A 76 -30.632 -9.281 2.853 1.00 25.00 C ATOM 1163 C GLU A 76 -30.605 -9.627 1.357 1.00 25.00 C ATOM 1164 O GLU A 76 -31.654 -9.659 0.703 1.00 25.00 O ATOM 1165 CB GLU A 76 -30.883 -7.777 3.039 1.00 25.00 C ATOM 1166 CG GLU A 76 -31.181 -7.375 4.480 1.00 25.00 C ATOM 1167 CD GLU A 76 -31.513 -5.901 4.620 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -31.571 -5.204 3.584 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -31.715 -5.444 5.765 1.00 25.00 O ATOM 0 H GLU A 76 -28.674 -8.955 3.553 1.00 25.00 H new ATOM 0 HA GLU A 76 -31.447 -9.842 3.310 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -30.008 -7.227 2.692 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -31.720 -7.477 2.408 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -32.016 -7.968 4.853 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -30.319 -7.610 5.104 1.00 25.00 H new ATOM 1176 N GLY A 77 -29.402 -9.893 0.832 1.00 25.00 N ATOM 1177 CA GLY A 77 -29.237 -10.229 -0.578 1.00 25.00 C ATOM 1178 C GLY A 77 -28.775 -9.048 -1.416 1.00 25.00 C ATOM 1179 O GLY A 77 -28.973 -9.033 -2.634 1.00 25.00 O ATOM 0 H GLY A 77 -28.533 -9.881 1.366 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -28.514 -11.039 -0.671 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -30.184 -10.599 -0.971 1.00 25.00 H new ATOM 1183 N ASN A 78 -28.156 -8.062 -0.754 1.00 25.00 N ATOM 1184 CA ASN A 78 -27.636 -6.868 -1.426 1.00 25.00 C ATOM 1185 C ASN A 78 -26.168 -7.063 -1.801 1.00 25.00 C ATOM 1186 O ASN A 78 -25.427 -7.761 -1.101 1.00 25.00 O ATOM 1187 CB ASN A 78 -27.794 -5.633 -0.523 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.247 -5.294 -0.214 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -30.063 -5.084 -1.114 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -29.576 -5.238 1.073 1.00 25.00 N ATOM 0 H ASN A 78 -28.003 -8.070 0.254 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.210 -6.709 -2.339 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -27.262 -5.805 0.412 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -27.323 -4.776 -1.005 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -30.533 -5.015 1.345 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -28.871 -5.418 1.788 1.00 25.00 H new ATOM 1197 N GLU A 79 -25.760 -6.431 -2.909 1.00 25.00 N ATOM 1198 CA GLU A 79 -24.408 -6.583 -3.463 1.00 25.00 C ATOM 1199 C GLU A 79 -23.353 -5.944 -2.554 1.00 25.00 C ATOM 1200 O GLU A 79 -23.391 -4.737 -2.288 1.00 25.00 O ATOM 1201 CB GLU A 79 -24.350 -5.938 -4.858 1.00 25.00 C ATOM 1202 CG GLU A 79 -23.041 -6.137 -5.599 1.00 25.00 C ATOM 1203 CD GLU A 79 -23.076 -5.542 -6.994 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -24.144 -5.032 -7.396 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -22.037 -5.587 -7.685 1.00 25.00 O ATOM 0 H GLU A 79 -26.356 -5.801 -3.446 1.00 25.00 H new ATOM 0 HA GLU A 79 -24.188 -7.648 -3.535 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -25.160 -6.344 -5.464 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -24.534 -4.869 -4.756 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -22.231 -5.680 -5.031 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -22.822 -7.203 -5.666 1.00 25.00 H new ATOM 1212 N VAL A 80 -22.427 -6.777 -2.081 1.00 25.00 N ATOM 1213 CA VAL A 80 -21.262 -6.308 -1.340 1.00 25.00 C ATOM 1214 C VAL A 80 -20.009 -6.905 -1.968 1.00 25.00 C ATOM 1215 O VAL A 80 -19.658 -8.064 -1.724 1.00 25.00 O ATOM 1216 CB VAL A 80 -21.331 -6.627 0.192 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -20.137 -6.027 0.918 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -22.631 -6.137 0.834 1.00 25.00 C ATOM 0 H VAL A 80 -22.464 -7.789 -2.201 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.238 -5.220 -1.408 1.00 25.00 H new ATOM 0 HB VAL A 80 -21.307 -7.713 0.288 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -20.203 -6.259 1.981 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -19.216 -6.445 0.512 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -20.135 -4.945 0.783 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -22.628 -6.383 1.896 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -22.712 -5.057 0.712 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -23.480 -6.621 0.352 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.344 -6.097 -2.788 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.223 -6.572 -3.589 1.00 25.00 C ATOM 1230 C VAL A 81 -16.874 -6.248 -2.903 1.00 25.00 C ATOM 1231 O VAL A 81 -16.635 -5.092 -2.541 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.303 -6.026 -5.059 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -17.086 -6.420 -5.898 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.599 -6.437 -5.763 1.00 25.00 C ATOM 0 H VAL A 81 -19.563 -5.109 -2.915 1.00 25.00 H new ATOM 0 HA VAL A 81 -18.286 -7.658 -3.659 1.00 25.00 H new ATOM 0 HB VAL A 81 -18.303 -4.940 -4.969 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -17.193 -6.017 -6.905 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.183 -6.018 -5.440 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.015 -7.507 -5.948 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -19.606 -6.035 -6.776 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -19.662 -7.524 -5.804 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -20.453 -6.045 -5.211 1.00 25.00 H new ATOM 1244 N PRO A 82 -15.973 -7.272 -2.711 1.00 25.00 N ATOM 1245 CA PRO A 82 -14.675 -7.085 -2.017 1.00 25.00 C ATOM 1246 C PRO A 82 -13.770 -6.048 -2.690 1.00 25.00 C ATOM 1247 O PRO A 82 -13.553 -6.084 -3.906 1.00 25.00 O ATOM 1248 CB PRO A 82 -14.037 -8.479 -2.064 1.00 25.00 C ATOM 1249 CG PRO A 82 -15.192 -9.408 -2.175 1.00 25.00 C ATOM 1250 CD PRO A 82 -16.136 -8.691 -3.130 1.00 25.00 C ATOM 0 HA PRO A 82 -14.817 -6.699 -1.007 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -13.363 -8.579 -2.914 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -13.451 -8.679 -1.167 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -14.889 -10.380 -2.565 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -15.659 -9.585 -1.206 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -15.857 -8.844 -4.172 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -17.165 -9.034 -3.022 1.00 25.00 H new ATOM 1258 N LYS A 83 -13.256 -5.135 -1.868 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.451 -3.995 -2.331 1.00 25.00 C ATOM 1260 C LYS A 83 -10.939 -4.306 -2.271 1.00 25.00 C ATOM 1261 O LYS A 83 -10.539 -5.240 -1.569 1.00 25.00 O ATOM 1262 CB LYS A 83 -12.770 -2.752 -1.475 1.00 25.00 C ATOM 1263 CG LYS A 83 -12.378 -2.871 0.008 1.00 25.00 C ATOM 1264 CD LYS A 83 -12.765 -1.648 0.838 1.00 25.00 C ATOM 1265 CE LYS A 83 -12.319 -1.757 2.297 1.00 25.00 C ATOM 1266 NZ LYS A 83 -12.745 -0.578 3.108 1.00 25.00 N ATOM 0 H LYS A 83 -13.384 -5.161 -0.856 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.708 -3.799 -3.372 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -12.256 -1.892 -1.904 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -13.839 -2.549 -1.538 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -12.855 -3.755 0.432 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -11.301 -3.024 0.080 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -12.322 -0.757 0.393 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -13.847 -1.518 0.802 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -12.733 -2.665 2.735 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -11.234 -1.850 2.337 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -12.421 -0.696 4.089 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -12.329 0.287 2.708 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -13.782 -0.503 3.093 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.777 -0.964 1.327 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.798 -1.045 2.419 1.00 25.00 C ATOM 1337 C HIS A 87 0.082 0.210 2.466 1.00 25.00 C ATOM 1338 O HIS A 87 0.886 0.446 1.560 1.00 25.00 O ATOM 1339 CB HIS A 87 0.084 -2.299 2.248 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.676 -3.589 2.154 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.158 -4.262 3.256 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -1.009 -4.343 1.077 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -1.755 -5.374 2.862 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -1.679 -5.445 1.547 1.00 25.00 N ATOM 0 HA HIS A 87 -1.345 -1.114 3.359 1.00 25.00 H new ATOM 0 HB2 HIS A 87 0.688 -2.182 1.348 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.774 -2.359 3.090 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -0.788 -4.119 0.044 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.225 -6.101 3.507 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -2.057 -6.198 0.972 1.00 25.00 H new ATOM 1353 N MET A 88 -0.065 1.004 3.535 1.00 25.00 N ATOM 1354 CA MET A 88 0.696 2.251 3.690 1.00 25.00 C ATOM 1355 C MET A 88 1.862 2.066 4.667 1.00 25.00 C ATOM 1356 O MET A 88 1.714 1.461 5.734 1.00 25.00 O ATOM 1357 CB MET A 88 -0.229 3.390 4.162 1.00 25.00 C ATOM 1358 CG MET A 88 0.437 4.762 4.264 1.00 25.00 C ATOM 1359 SD MET A 88 -0.722 6.040 4.770 1.00 25.00 S ATOM 1360 CE MET A 88 -0.771 5.758 6.538 1.00 25.00 C ATOM 0 H MET A 88 -0.704 0.805 4.305 1.00 25.00 H new ATOM 0 HA MET A 88 1.110 2.518 2.718 1.00 25.00 H new ATOM 0 HB2 MET A 88 -1.072 3.462 3.474 1.00 25.00 H new ATOM 0 HB3 MET A 88 -0.636 3.127 5.138 1.00 25.00 H new ATOM 0 HG2 MET A 88 1.258 4.714 4.979 1.00 25.00 H new ATOM 0 HG3 MET A 88 0.870 5.027 3.299 1.00 25.00 H new ATOM 0 HE1 MET A 88 -1.436 6.485 7.004 1.00 25.00 H new ATOM 0 HE2 MET A 88 -1.139 4.751 6.736 1.00 25.00 H new ATOM 0 HE3 MET A 88 0.232 5.866 6.952 1.00 25.00 H new ATOM 1370 N PHE A 89 3.015 2.600 4.266 1.00 25.00 N ATOM 1371 CA PHE A 89 4.226 2.609 5.086 1.00 25.00 C ATOM 1372 C PHE A 89 4.620 4.061 5.375 1.00 25.00 C ATOM 1373 O PHE A 89 4.097 4.972 4.739 1.00 25.00 O ATOM 1374 CB PHE A 89 5.377 1.890 4.350 1.00 25.00 C ATOM 1375 CG PHE A 89 5.186 0.400 4.155 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.604 -0.094 2.993 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.592 -0.503 5.127 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.429 -1.451 2.805 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.418 -1.862 4.944 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.836 -2.335 3.784 1.00 25.00 C ATOM 0 H PHE A 89 3.136 3.042 3.355 1.00 25.00 H new ATOM 0 HA PHE A 89 4.033 2.084 6.022 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.508 2.354 3.373 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.300 2.052 4.906 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.284 0.594 2.225 1.00 25.00 H new ATOM 0 HD2 PHE A 89 6.049 -0.140 6.036 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.976 -1.819 1.896 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.737 -2.555 5.709 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.699 -3.397 3.643 1.00 25.00 H new ATOM 1390 N SER A 90 5.520 4.279 6.343 1.00 25.00 N ATOM 1391 CA SER A 90 6.049 5.623 6.618 1.00 25.00 C ATOM 1392 C SER A 90 7.562 5.656 6.416 1.00 25.00 C ATOM 1393 O SER A 90 8.260 4.681 6.706 1.00 25.00 O ATOM 1394 CB SER A 90 5.685 6.086 8.028 1.00 25.00 C ATOM 1395 OG SER A 90 6.776 6.746 8.646 1.00 25.00 O ATOM 0 H SER A 90 5.896 3.547 6.946 1.00 25.00 H new ATOM 0 HA SER A 90 5.589 6.313 5.911 1.00 25.00 H new ATOM 0 HB2 SER A 90 4.828 6.758 7.984 1.00 25.00 H new ATOM 0 HB3 SER A 90 5.387 5.228 8.630 1.00 25.00 H new ATOM 0 HG SER A 90 6.447 7.301 9.384 1.00 25.00 H new ATOM 1401 N PHE A 91 8.052 6.792 5.921 1.00 25.00 N ATOM 1402 CA PHE A 91 9.455 6.940 5.517 1.00 25.00 C ATOM 1403 C PHE A 91 10.097 8.187 6.132 1.00 25.00 C ATOM 1404 O PHE A 91 9.438 8.954 6.837 1.00 25.00 O ATOM 1405 CB PHE A 91 9.541 7.004 3.982 1.00 25.00 C ATOM 1406 CG PHE A 91 9.547 5.655 3.308 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.505 4.763 3.513 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.592 5.277 2.476 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.505 3.522 2.903 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.591 4.037 1.864 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.568 3.174 2.053 1.00 25.00 C ATOM 0 H PHE A 91 7.492 7.634 5.788 1.00 25.00 H new ATOM 0 HA PHE A 91 10.006 6.075 5.885 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.697 7.582 3.606 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.447 7.542 3.702 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.684 5.041 4.157 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.413 5.957 2.305 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.696 2.828 3.078 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.417 3.755 1.228 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.568 2.218 1.551 1.00 25.00 H new ATOM 1421 N ASN A 92 11.404 8.353 5.879 1.00 25.00 N ATOM 1422 CA ASN A 92 12.155 9.520 6.347 1.00 25.00 C ATOM 1423 C ASN A 92 12.822 10.256 5.168 1.00 25.00 C ATOM 1424 O ASN A 92 13.216 11.418 5.305 1.00 25.00 O ATOM 1425 CB ASN A 92 13.216 9.079 7.380 1.00 25.00 C ATOM 1426 CG ASN A 92 12.637 8.419 8.634 1.00 25.00 C ATOM 1427 OD1 ASN A 92 12.001 9.084 9.453 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.873 7.120 8.806 1.00 25.00 N ATOM 0 H ASN A 92 11.964 7.686 5.348 1.00 25.00 H new ATOM 0 HA ASN A 92 11.461 10.212 6.823 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.904 8.382 6.902 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.800 9.950 7.678 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.523 6.644 9.637 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.404 6.601 8.106 1.00 25.00 H new ATOM 1435 N ASN A 93 12.945 9.569 4.016 1.00 25.00 N ATOM 1436 CA ASN A 93 13.601 10.128 2.825 1.00 25.00 C ATOM 1437 C ASN A 93 12.875 9.704 1.544 1.00 25.00 C ATOM 1438 O ASN A 93 12.377 8.579 1.441 1.00 25.00 O ATOM 1439 CB ASN A 93 15.072 9.681 2.758 1.00 25.00 C ATOM 1440 CG ASN A 93 15.903 10.522 1.805 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.389 11.062 0.825 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.197 10.633 2.085 1.00 25.00 N ATOM 0 H ASN A 93 12.595 8.620 3.888 1.00 25.00 H new ATOM 0 HA ASN A 93 13.560 11.214 2.905 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.508 9.734 3.756 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.115 8.638 2.446 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.805 11.182 1.477 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.582 10.169 2.908 1.00 25.00 H new ATOM 1449 N ARG A 94 12.829 10.630 0.572 1.00 25.00 N ATOM 1450 CA ARG A 94 12.153 10.414 -0.724 1.00 25.00 C ATOM 1451 C ARG A 94 12.962 9.507 -1.652 1.00 25.00 C ATOM 1452 O ARG A 94 12.398 8.824 -2.511 1.00 25.00 O ATOM 1453 CB ARG A 94 11.930 11.746 -1.448 1.00 25.00 C ATOM 1454 CG ARG A 94 11.307 11.654 -2.837 1.00 25.00 C ATOM 1455 CD ARG A 94 11.952 12.590 -3.859 1.00 25.00 C ATOM 1456 NE ARG A 94 11.308 12.530 -5.193 1.00 25.00 N ATOM 1457 CZ ARG A 94 11.941 12.436 -6.384 1.00 25.00 C ATOM 1458 NH1 ARG A 94 13.269 12.371 -6.465 1.00 25.00 N ATOM 1459 NH2 ARG A 94 11.227 12.399 -7.499 1.00 25.00 N ATOM 0 H ARG A 94 13.259 11.551 0.660 1.00 25.00 H new ATOM 0 HA ARG A 94 11.201 9.936 -0.495 1.00 25.00 H new ATOM 0 HB2 ARG A 94 11.292 12.373 -0.826 1.00 25.00 H new ATOM 0 HB3 ARG A 94 12.890 12.255 -1.535 1.00 25.00 H new ATOM 0 HG2 ARG A 94 11.387 10.628 -3.195 1.00 25.00 H new ATOM 0 HG3 ARG A 94 10.244 11.884 -2.766 1.00 25.00 H new ATOM 0 HD2 ARG A 94 11.905 13.613 -3.486 1.00 25.00 H new ATOM 0 HD3 ARG A 94 13.007 12.336 -3.960 1.00 25.00 H new ATOM 0 HE ARG A 94 10.289 12.563 -5.214 1.00 25.00 H new ATOM 0 HH11 ARG A 94 13.833 12.392 -5.616 1.00 25.00 H new ATOM 0 HH12 ARG A 94 13.722 12.300 -7.376 1.00 25.00 H new ATOM 0 HH21 ARG A 94 10.209 12.441 -7.454 1.00 25.00 H new ATOM 0 HH22 ARG A 94 11.695 12.328 -8.402 1.00 25.00 H new ATOM 1473 N THR A 95 14.288 9.525 -1.477 1.00 25.00 N ATOM 1474 CA THR A 95 15.207 8.758 -2.326 1.00 25.00 C ATOM 1475 C THR A 95 15.160 7.255 -1.998 1.00 25.00 C ATOM 1476 O THR A 95 15.577 6.433 -2.815 1.00 25.00 O ATOM 1477 CB THR A 95 16.661 9.288 -2.193 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.085 9.208 -0.826 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.781 10.742 -2.654 1.00 25.00 C ATOM 0 H THR A 95 14.752 10.067 -0.748 1.00 25.00 H new ATOM 0 HA THR A 95 14.879 8.890 -3.357 1.00 25.00 H new ATOM 0 HB THR A 95 17.292 8.667 -2.829 1.00 25.00 H new ATOM 0 HG1 THR A 95 18.003 9.542 -0.748 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.813 11.074 -2.545 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.484 10.818 -3.700 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.131 11.371 -2.046 1.00 25.00 H new ATOM 1487 N VAL A 96 14.650 6.904 -0.804 1.00 25.00 N ATOM 1488 CA VAL A 96 14.441 5.495 -0.441 1.00 25.00 C ATOM 1489 C VAL A 96 13.134 5.004 -1.073 1.00 25.00 C ATOM 1490 O VAL A 96 13.173 4.135 -1.938 1.00 25.00 O ATOM 1491 CB VAL A 96 14.420 5.248 1.104 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.231 3.760 1.423 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.696 5.751 1.770 1.00 25.00 C ATOM 0 H VAL A 96 14.378 7.571 -0.082 1.00 25.00 H new ATOM 0 HA VAL A 96 15.291 4.931 -0.826 1.00 25.00 H new ATOM 0 HB VAL A 96 13.575 5.809 1.502 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.220 3.618 2.504 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.287 3.415 1.002 1.00 25.00 H new ATOM 0 HG13 VAL A 96 15.052 3.188 0.990 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.645 5.562 2.842 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.556 5.229 1.350 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.800 6.822 1.594 1.00 25.00 H new ATOM 1503 N MET A 97 11.988 5.613 -0.679 1.00 25.00 N ATOM 1504 CA MET A 97 10.648 5.231 -1.195 1.00 25.00 C ATOM 1505 C MET A 97 10.652 5.012 -2.714 1.00 25.00 C ATOM 1506 O MET A 97 10.227 3.962 -3.177 1.00 25.00 O ATOM 1507 CB MET A 97 9.573 6.275 -0.803 1.00 25.00 C ATOM 1508 CG MET A 97 9.751 7.656 -1.416 1.00 25.00 C ATOM 1509 SD MET A 97 8.421 8.809 -0.992 1.00 25.00 S ATOM 1510 CE MET A 97 8.787 9.183 0.721 1.00 25.00 C ATOM 0 H MET A 97 11.965 6.375 -0.002 1.00 25.00 H new ATOM 0 HA MET A 97 10.394 4.281 -0.726 1.00 25.00 H new ATOM 0 HB2 MET A 97 8.595 5.891 -1.093 1.00 25.00 H new ATOM 0 HB3 MET A 97 9.567 6.376 0.282 1.00 25.00 H new ATOM 0 HG2 MET A 97 10.702 8.073 -1.084 1.00 25.00 H new ATOM 0 HG3 MET A 97 9.806 7.560 -2.500 1.00 25.00 H new ATOM 0 HE1 MET A 97 7.917 8.954 1.337 1.00 25.00 H new ATOM 0 HE2 MET A 97 9.634 8.582 1.052 1.00 25.00 H new ATOM 0 HE3 MET A 97 9.032 10.241 0.818 1.00 25.00 H new ATOM 1520 N ASP A 98 11.186 5.992 -3.464 1.00 25.00 N ATOM 1521 CA ASP A 98 11.253 5.913 -4.936 1.00 25.00 C ATOM 1522 C ASP A 98 12.154 4.756 -5.412 1.00 25.00 C ATOM 1523 O ASP A 98 11.964 4.241 -6.513 1.00 25.00 O ATOM 1524 CB ASP A 98 11.776 7.244 -5.500 1.00 25.00 C ATOM 1525 CG ASP A 98 10.709 8.326 -5.551 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.518 7.995 -5.374 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.067 9.503 -5.766 1.00 25.00 O ATOM 0 H ASP A 98 11.578 6.850 -3.075 1.00 25.00 H new ATOM 0 HA ASP A 98 10.246 5.719 -5.305 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.608 7.590 -4.887 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.167 7.079 -6.504 1.00 25.00 H new ATOM 1532 N ASN A 99 13.125 4.362 -4.572 1.00 25.00 N ATOM 1533 CA ASN A 99 14.025 3.234 -4.864 1.00 25.00 C ATOM 1534 C ASN A 99 13.373 1.886 -4.520 1.00 25.00 C ATOM 1535 O ASN A 99 13.636 0.884 -5.192 1.00 25.00 O ATOM 1536 CB ASN A 99 15.345 3.397 -4.095 1.00 25.00 C ATOM 1537 CG ASN A 99 16.427 4.098 -4.904 1.00 25.00 C ATOM 1538 OD1 ASN A 99 16.513 3.947 -6.124 1.00 25.00 O ATOM 1539 ND2 ASN A 99 17.256 4.879 -4.222 1.00 25.00 N ATOM 0 H ASN A 99 13.308 4.814 -3.676 1.00 25.00 H new ATOM 0 HA ASN A 99 14.230 3.240 -5.935 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.159 3.963 -3.182 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.706 2.414 -3.793 1.00 25.00 H new ATOM 0 HD21 ASN A 99 17.999 5.382 -4.708 1.00 25.00 H new ATOM 0 HD22 ASN A 99 17.150 4.976 -3.212 1.00 25.00 H new ATOM 1546 N ILE A 100 12.527 1.867 -3.469 1.00 25.00 N ATOM 1547 CA ILE A 100 11.687 0.695 -3.160 1.00 25.00 C ATOM 1548 C ILE A 100 10.587 0.588 -4.236 1.00 25.00 C ATOM 1549 O ILE A 100 10.426 -0.457 -4.862 1.00 25.00 O ATOM 1550 CB ILE A 100 11.047 0.776 -1.718 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.113 0.832 -0.584 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.079 -0.384 -1.450 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.087 -0.343 -0.498 1.00 25.00 C ATOM 0 H ILE A 100 12.409 2.648 -2.823 1.00 25.00 H new ATOM 0 HA ILE A 100 12.316 -0.195 -3.167 1.00 25.00 H new ATOM 0 HB ILE A 100 10.490 1.713 -1.706 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.693 1.746 -0.707 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.591 0.912 0.370 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.663 -0.287 -0.447 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.271 -0.360 -2.181 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.614 -1.330 -1.531 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.777 -0.184 0.331 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.530 -1.266 -0.335 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.649 -0.418 -1.429 1.00 25.00 H new ATOM 1565 N LYS A 101 9.872 1.713 -4.452 1.00 25.00 N ATOM 1566 CA LYS A 101 8.890 1.888 -5.542 1.00 25.00 C ATOM 1567 C LYS A 101 9.410 1.374 -6.875 1.00 25.00 C ATOM 1568 O LYS A 101 8.753 0.583 -7.538 1.00 25.00 O ATOM 1569 CB LYS A 101 8.579 3.376 -5.692 1.00 25.00 C ATOM 1570 CG LYS A 101 7.418 3.682 -6.630 1.00 25.00 C ATOM 1571 CD LYS A 101 7.098 5.166 -6.721 1.00 25.00 C ATOM 1572 CE LYS A 101 5.893 5.432 -7.617 1.00 25.00 C ATOM 1573 NZ LYS A 101 5.568 6.883 -7.704 1.00 25.00 N ATOM 0 H LYS A 101 9.963 2.540 -3.862 1.00 25.00 H new ATOM 0 HA LYS A 101 8.001 1.315 -5.279 1.00 25.00 H new ATOM 0 HB2 LYS A 101 8.355 3.789 -4.709 1.00 25.00 H new ATOM 0 HB3 LYS A 101 9.470 3.887 -6.057 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.654 3.306 -7.625 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.532 3.146 -6.289 1.00 25.00 H new ATOM 0 HD2 LYS A 101 6.902 5.557 -5.723 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.965 5.702 -7.109 1.00 25.00 H new ATOM 0 HE2 LYS A 101 6.093 5.045 -8.616 1.00 25.00 H new ATOM 0 HE3 LYS A 101 5.029 4.890 -7.232 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 4.743 7.017 -8.323 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 5.352 7.248 -6.754 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 6.382 7.398 -8.096 1.00 25.00 H new ATOM 1587 N MET A 102 10.616 1.829 -7.229 1.00 25.00 N ATOM 1588 CA MET A 102 11.287 1.463 -8.480 1.00 25.00 C ATOM 1589 C MET A 102 11.379 -0.063 -8.640 1.00 25.00 C ATOM 1590 O MET A 102 10.939 -0.600 -9.653 1.00 25.00 O ATOM 1591 CB MET A 102 12.677 2.112 -8.494 1.00 25.00 C ATOM 1592 CG MET A 102 13.483 1.900 -9.769 1.00 25.00 C ATOM 1593 SD MET A 102 15.197 2.460 -9.633 1.00 25.00 S ATOM 1594 CE MET A 102 14.979 4.215 -9.317 1.00 25.00 C ATOM 0 H MET A 102 11.159 2.468 -6.649 1.00 25.00 H new ATOM 0 HA MET A 102 10.706 1.829 -9.326 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.561 3.184 -8.331 1.00 25.00 H new ATOM 0 HB3 MET A 102 13.250 1.722 -7.653 1.00 25.00 H new ATOM 0 HG2 MET A 102 13.473 0.840 -10.025 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.999 2.430 -10.589 1.00 25.00 H new ATOM 0 HE1 MET A 102 15.936 4.725 -9.422 1.00 25.00 H new ATOM 0 HE2 MET A 102 14.267 4.628 -10.032 1.00 25.00 H new ATOM 0 HE3 MET A 102 14.601 4.358 -8.305 1.00 25.00 H new ATOM 1604 N THR A 103 11.930 -0.747 -7.621 1.00 25.00 N ATOM 1605 CA THR A 103 12.000 -2.214 -7.611 1.00 25.00 C ATOM 1606 C THR A 103 10.587 -2.811 -7.738 1.00 25.00 C ATOM 1607 O THR A 103 10.294 -3.460 -8.736 1.00 25.00 O ATOM 1608 CB THR A 103 12.704 -2.735 -6.329 1.00 25.00 C ATOM 1609 OG1 THR A 103 14.016 -2.165 -6.232 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.823 -4.262 -6.322 1.00 25.00 C ATOM 0 H THR A 103 12.333 -0.304 -6.795 1.00 25.00 H new ATOM 0 HA THR A 103 12.595 -2.534 -8.466 1.00 25.00 H new ATOM 0 HB THR A 103 12.094 -2.437 -5.477 1.00 25.00 H new ATOM 0 HG1 THR A 103 13.948 -1.238 -5.921 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.321 -4.584 -5.408 1.00 25.00 H new ATOM 0 HG22 THR A 103 11.828 -4.705 -6.368 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.404 -4.586 -7.185 1.00 25.00 H new ATOM 1618 N LEU A 104 9.712 -2.503 -6.755 1.00 25.00 N ATOM 1619 CA LEU A 104 8.297 -2.927 -6.739 1.00 25.00 C ATOM 1620 C LEU A 104 7.659 -2.761 -8.120 1.00 25.00 C ATOM 1621 O LEU A 104 7.199 -3.724 -8.722 1.00 25.00 O ATOM 1622 CB LEU A 104 7.515 -2.051 -5.731 1.00 25.00 C ATOM 1623 CG LEU A 104 7.902 -2.170 -4.252 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.062 -1.220 -3.412 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.720 -3.583 -3.730 1.00 25.00 C ATOM 0 H LEU A 104 9.973 -1.946 -5.941 1.00 25.00 H new ATOM 0 HA LEU A 104 8.258 -3.978 -6.453 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.631 -1.009 -6.028 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.456 -2.293 -5.824 1.00 25.00 H new ATOM 0 HG LEU A 104 8.957 -1.908 -4.174 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.346 -1.313 -2.364 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.230 -0.195 -3.744 1.00 25.00 H new ATOM 0 HD13 LEU A 104 6.007 -1.469 -3.526 1.00 25.00 H new ATOM 0 HD21 LEU A 104 8.006 -3.622 -2.679 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.676 -3.877 -3.833 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.348 -4.266 -4.302 1.00 25.00 H new ATOM 1637 N GLN A 105 7.709 -1.523 -8.620 1.00 25.00 N ATOM 1638 CA GLN A 105 7.161 -1.143 -9.937 1.00 25.00 C ATOM 1639 C GLN A 105 7.702 -2.008 -11.094 1.00 25.00 C ATOM 1640 O GLN A 105 6.985 -2.250 -12.070 1.00 25.00 O ATOM 1641 CB GLN A 105 7.458 0.340 -10.214 1.00 25.00 C ATOM 1642 CG GLN A 105 6.828 0.869 -11.501 1.00 25.00 C ATOM 1643 CD GLN A 105 5.322 0.663 -11.567 1.00 25.00 C ATOM 1644 OE1 GLN A 105 4.573 1.081 -10.681 1.00 25.00 O ATOM 1645 NE2 GLN A 105 4.867 0.007 -12.629 1.00 25.00 N ATOM 0 H GLN A 105 8.135 -0.743 -8.120 1.00 25.00 H new ATOM 0 HA GLN A 105 6.086 -1.315 -9.892 1.00 25.00 H new ATOM 0 HB2 GLN A 105 7.099 0.935 -9.374 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.538 0.480 -10.265 1.00 25.00 H new ATOM 0 HG2 GLN A 105 7.046 1.933 -11.592 1.00 25.00 H new ATOM 0 HG3 GLN A 105 7.292 0.374 -12.354 1.00 25.00 H new ATOM 0 HE21 GLN A 105 5.518 -0.324 -13.342 1.00 25.00 H new ATOM 0 HE22 GLN A 105 3.867 -0.166 -12.732 1.00 25.00 H new ATOM 1654 N GLN A 106 8.963 -2.465 -10.980 1.00 25.00 N ATOM 1655 CA GLN A 106 9.563 -3.374 -11.969 1.00 25.00 C ATOM 1656 C GLN A 106 9.051 -4.810 -11.806 1.00 25.00 C ATOM 1657 O GLN A 106 9.093 -5.603 -12.750 1.00 25.00 O ATOM 1658 CB GLN A 106 11.086 -3.358 -11.861 1.00 25.00 C ATOM 1659 CG GLN A 106 11.741 -2.078 -12.378 1.00 25.00 C ATOM 1660 CD GLN A 106 13.263 -2.046 -12.235 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.877 -2.964 -11.684 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.878 -0.981 -12.736 1.00 25.00 N ATOM 0 H GLN A 106 9.585 -2.218 -10.211 1.00 25.00 H new ATOM 0 HA GLN A 106 9.266 -3.016 -12.955 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.366 -3.499 -10.817 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.487 -4.207 -12.416 1.00 25.00 H new ATOM 0 HG2 GLN A 106 11.484 -1.952 -13.430 1.00 25.00 H new ATOM 0 HG3 GLN A 106 11.320 -1.227 -11.843 1.00 25.00 H new ATOM 0 HE21 GLN A 106 13.335 -0.243 -13.184 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.893 -0.901 -12.673 1.00 25.00 H new ATOM 1671 N ILE A 107 8.569 -5.126 -10.596 1.00 25.00 N ATOM 1672 CA ILE A 107 8.068 -6.461 -10.256 1.00 25.00 C ATOM 1673 C ILE A 107 6.603 -6.660 -10.719 1.00 25.00 C ATOM 1674 O ILE A 107 6.265 -7.724 -11.243 1.00 25.00 O ATOM 1675 CB ILE A 107 8.205 -6.727 -8.715 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.705 -6.737 -8.303 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.516 -8.034 -8.320 1.00 25.00 C ATOM 1678 CD1 ILE A 107 9.990 -6.839 -6.806 1.00 25.00 C ATOM 0 H ILE A 107 8.516 -4.460 -9.825 1.00 25.00 H new ATOM 0 HA ILE A 107 8.680 -7.187 -10.790 1.00 25.00 H new ATOM 0 HB ILE A 107 7.707 -5.919 -8.179 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.192 -7.574 -8.803 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.170 -5.826 -8.680 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.626 -8.194 -7.247 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.457 -7.977 -8.571 1.00 25.00 H new ATOM 0 HG23 ILE A 107 7.973 -8.864 -8.859 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.067 -6.837 -6.640 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.542 -5.989 -6.292 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.565 -7.764 -6.417 1.00 25.00 H new ATOM 1690 N ILE A 108 5.749 -5.641 -10.523 1.00 25.00 N ATOM 1691 CA ILE A 108 4.310 -5.738 -10.866 1.00 25.00 C ATOM 1692 C ILE A 108 4.101 -5.703 -12.383 1.00 25.00 C ATOM 1693 O ILE A 108 3.205 -6.367 -12.901 1.00 25.00 O ATOM 1694 CB ILE A 108 3.466 -4.611 -10.193 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.649 -4.670 -8.677 1.00 25.00 C ATOM 1696 CG2 ILE A 108 1.976 -4.762 -10.539 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.363 -3.375 -7.951 1.00 25.00 C ATOM 0 H ILE A 108 6.024 -4.741 -10.130 1.00 25.00 H new ATOM 0 HA ILE A 108 3.963 -6.696 -10.479 1.00 25.00 H new ATOM 0 HB ILE A 108 3.812 -3.648 -10.569 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.996 -5.446 -8.277 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.674 -4.972 -8.461 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.408 -3.965 -10.058 1.00 25.00 H new ATOM 0 HG22 ILE A 108 1.845 -4.700 -11.619 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.616 -5.728 -10.185 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.520 -3.515 -6.881 1.00 25.00 H new ATOM 0 HD12 ILE A 108 4.033 -2.597 -8.317 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.330 -3.078 -8.130 1.00 25.00 H new ATOM 1709 N SER A 109 4.936 -4.921 -13.071 1.00 25.00 N ATOM 1710 CA SER A 109 4.918 -4.838 -14.544 1.00 25.00 C ATOM 1711 C SER A 109 5.297 -6.187 -15.190 1.00 25.00 C ATOM 1712 O SER A 109 5.024 -6.417 -16.373 1.00 25.00 O ATOM 1713 CB SER A 109 5.860 -3.725 -15.014 1.00 25.00 C ATOM 1714 OG SER A 109 7.216 -4.029 -14.722 1.00 25.00 O ATOM 0 H SER A 109 5.641 -4.329 -12.632 1.00 25.00 H new ATOM 0 HA SER A 109 3.903 -4.601 -14.861 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.743 -3.578 -16.088 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.585 -2.787 -14.532 1.00 25.00 H new ATOM 0 HG SER A 109 7.790 -3.299 -15.036 1.00 25.00 H new ATOM 1720 N ARG A 110 5.927 -7.069 -14.394 1.00 25.00 N ATOM 1721 CA ARG A 110 6.204 -8.459 -14.799 1.00 25.00 C ATOM 1722 C ARG A 110 4.945 -9.326 -14.679 1.00 25.00 C ATOM 1723 O ARG A 110 4.662 -10.149 -15.552 1.00 25.00 O ATOM 1724 CB ARG A 110 7.316 -9.066 -13.946 1.00 25.00 C ATOM 1725 CG ARG A 110 8.682 -8.464 -14.207 1.00 25.00 C ATOM 1726 CD ARG A 110 9.724 -9.040 -13.268 1.00 25.00 C ATOM 1727 NE ARG A 110 11.044 -8.415 -13.448 1.00 25.00 N ATOM 1728 CZ ARG A 110 11.857 -8.040 -12.450 1.00 25.00 C ATOM 1729 NH1 ARG A 110 11.514 -8.216 -11.175 1.00 25.00 N ATOM 1730 NH2 ARG A 110 13.026 -7.483 -12.735 1.00 25.00 N ATOM 0 H ARG A 110 6.257 -6.840 -13.456 1.00 25.00 H new ATOM 0 HA ARG A 110 6.525 -8.436 -15.840 1.00 25.00 H new ATOM 0 HB2 ARG A 110 7.066 -8.935 -12.893 1.00 25.00 H new ATOM 0 HB3 ARG A 110 7.360 -10.139 -14.132 1.00 25.00 H new ATOM 0 HG2 ARG A 110 8.975 -8.654 -15.240 1.00 25.00 H new ATOM 0 HG3 ARG A 110 8.635 -7.382 -14.083 1.00 25.00 H new ATOM 0 HD2 ARG A 110 9.397 -8.903 -12.237 1.00 25.00 H new ATOM 0 HD3 ARG A 110 9.807 -10.114 -13.436 1.00 25.00 H new ATOM 0 HE ARG A 110 11.364 -8.255 -14.403 1.00 25.00 H new ATOM 0 HH11 ARG A 110 10.618 -8.643 -10.942 1.00 25.00 H new ATOM 0 HH12 ARG A 110 12.148 -7.923 -10.431 1.00 25.00 H new ATOM 0 HH21 ARG A 110 13.301 -7.343 -13.707 1.00 25.00 H new ATOM 0 HH22 ARG A 110 13.651 -7.195 -11.982 1.00 25.00 H new ATOM 1744 N TYR A 111 4.205 -9.123 -13.579 1.00 25.00 N ATOM 1745 CA TYR A 111 2.917 -9.799 -13.345 1.00 25.00 C ATOM 1746 C TYR A 111 1.766 -9.060 -14.040 1.00 25.00 C ATOM 1747 O TYR A 111 0.606 -9.476 -13.966 1.00 25.00 O ATOM 1748 CB TYR A 111 2.640 -9.911 -11.840 1.00 25.00 C ATOM 1749 CG TYR A 111 3.731 -10.635 -11.078 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.631 -9.935 -10.284 1.00 25.00 C ATOM 1751 CD2 TYR A 111 3.869 -12.019 -11.164 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.634 -10.591 -9.602 1.00 25.00 C ATOM 1753 CE2 TYR A 111 4.867 -12.679 -10.483 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.711 -11.962 -9.659 1.00 25.00 C ATOM 1755 OH TYR A 111 6.748 -12.615 -9.029 1.00 25.00 O ATOM 0 H TYR A 111 4.479 -8.489 -12.829 1.00 25.00 H new ATOM 0 HA TYR A 111 2.982 -10.800 -13.771 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.520 -8.910 -11.425 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.695 -10.433 -11.690 1.00 25.00 H new ATOM 0 HD1 TYR A 111 4.544 -8.862 -10.200 1.00 25.00 H new ATOM 0 HD2 TYR A 111 3.181 -12.584 -11.776 1.00 25.00 H new ATOM 0 HE1 TYR A 111 6.355 -10.030 -9.026 1.00 25.00 H new ATOM 0 HE2 TYR A 111 4.988 -13.747 -10.592 1.00 25.00 H new ATOM 0 HH TYR A 111 7.164 -13.246 -9.653 1.00 25.00 H new ATOM 1765 N LYS A 112 2.117 -7.965 -14.720 1.00 25.00 N ATOM 1766 CA LYS A 112 1.167 -7.158 -15.478 1.00 25.00 C ATOM 1767 C LYS A 112 1.122 -7.642 -16.933 1.00 25.00 C ATOM 1768 O LYS A 112 0.080 -7.573 -17.591 1.00 25.00 O ATOM 1769 CB LYS A 112 1.597 -5.690 -15.411 1.00 25.00 C ATOM 1770 CG LYS A 112 0.650 -4.723 -16.123 1.00 25.00 C ATOM 1771 CD LYS A 112 -0.606 -4.387 -15.298 1.00 25.00 C ATOM 1772 CE LYS A 112 -1.580 -3.431 -16.007 1.00 25.00 C ATOM 1773 NZ LYS A 112 -2.743 -3.056 -15.153 1.00 25.00 N ATOM 0 H LYS A 112 3.074 -7.615 -14.758 1.00 25.00 H new ATOM 0 HA LYS A 112 0.169 -7.258 -15.052 1.00 25.00 H new ATOM 0 HB2 LYS A 112 1.679 -5.395 -14.365 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.591 -5.595 -15.848 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.185 -3.801 -16.350 1.00 25.00 H new ATOM 0 HG3 LYS A 112 0.346 -5.157 -17.075 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -1.130 -5.312 -15.059 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -0.299 -3.941 -14.352 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -1.046 -2.528 -16.303 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -1.943 -3.901 -16.921 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -3.367 -2.411 -15.679 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -3.272 -3.912 -14.891 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -2.403 -2.582 -14.292 1.00 25.00 H new