USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 786 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: B 204 CYS SG : rot 174:sc= -0.919 USER MOD Set 1.2: B 207 CYS SG : rot -58:sc= -1.12 USER MOD Set 1.3: B 215 HIS : no HD1:sc= -0.121 X(o=-2.2,f=-2.3) USER MOD Set 1.4: B 219 HIS : no HD1:sc= 0.0201 X(o=-2.2,f=-2.3) USER MOD Set 1.5: B 223 CYS SG : rot 89:sc= -0.11 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -137:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 113:sc= 1.02 USER MOD Set 3.1: A 7 THR OG1 : rot 136:sc= 0.292 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.979 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.256 (180deg=0.0881) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.442 (180deg=-1.36!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 22 THR OG1 : rot 32:sc= 0.192 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 0.00951 (180deg=-0.917) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.293 F(o=-0.84,f=-0.29) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.229) USER MOD Single : A 40 GLN : amide:sc= 0.061 X(o=0.061,f=-0.4) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.86! C(o=-5.9!,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.66) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -77:sc= 0.317 USER MOD Single : A 60 ASN : amide:sc= -0.0809 X(o=-0.081,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.1 X(o=0.1,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0.96 (180deg=0.886) USER MOD Single : A 65 SER OG : rot -140:sc= 0.0738 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-1.2e-06) USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= 0.00575 X(o=0.0057,f=0) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 217 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : B 218 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0387) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N MET A 1 4.630 10.305 -1.317 1.00 0.00 N ATOM 40 CA MET A 1 5.319 11.573 -1.649 1.00 0.00 C ATOM 41 C MET A 1 6.089 12.124 -0.425 1.00 0.00 C ATOM 42 O MET A 1 5.956 11.613 0.681 1.00 0.00 O ATOM 43 CB MET A 1 4.276 12.612 -2.144 1.00 0.00 C ATOM 44 CG MET A 1 3.466 12.178 -3.376 1.00 0.00 C ATOM 45 SD MET A 1 4.508 11.903 -4.828 1.00 0.00 S ATOM 46 CE MET A 1 3.293 11.436 -6.062 1.00 0.00 C ATOM 0 H1 MET A 1 4.280 9.861 -2.190 1.00 0.00 H new ATOM 0 H2 MET A 1 5.296 9.661 -0.845 1.00 0.00 H new ATOM 0 H3 MET A 1 3.829 10.501 -0.683 1.00 0.00 H new ATOM 0 HA MET A 1 6.045 11.381 -2.440 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.584 12.827 -1.330 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.794 13.543 -2.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.922 11.262 -3.145 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.723 12.941 -3.606 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.794 11.237 -7.009 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.767 10.539 -5.734 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.578 12.248 -6.194 1.00 0.00 H new ATOM 56 N GLN A 2 6.891 13.172 -0.645 1.00 0.00 N ATOM 57 CA GLN A 2 7.672 13.844 0.416 1.00 0.00 C ATOM 58 C GLN A 2 7.068 15.205 0.748 1.00 0.00 C ATOM 59 O GLN A 2 6.632 15.926 -0.143 1.00 0.00 O ATOM 60 CB GLN A 2 9.156 13.988 -0.009 1.00 0.00 C ATOM 61 CG GLN A 2 9.943 12.671 0.073 1.00 0.00 C ATOM 62 CD GLN A 2 11.359 12.759 -0.496 1.00 0.00 C ATOM 63 OE1 GLN A 2 12.347 13.012 0.350 1.00 0.00 O flip ATOM 64 NE2 GLN A 2 11.568 12.576 -1.692 1.00 0.00 N flip ATOM 0 H GLN A 2 7.022 13.585 -1.568 1.00 0.00 H new ATOM 0 HA GLN A 2 7.633 13.228 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.199 14.366 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.638 14.731 0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.000 12.357 1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.394 11.897 -0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.789 12.383 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.520 12.617 -2.055 1.00 0.00 H new ATOM 73 N ILE A 3 7.023 15.513 2.057 1.00 0.00 N ATOM 74 CA ILE A 3 6.553 16.819 2.596 1.00 0.00 C ATOM 75 C ILE A 3 7.486 17.280 3.727 1.00 0.00 C ATOM 76 O ILE A 3 8.110 16.453 4.404 1.00 0.00 O ATOM 77 CB ILE A 3 5.050 16.801 3.129 1.00 0.00 C ATOM 78 CG1 ILE A 3 4.766 15.588 4.088 1.00 0.00 C ATOM 79 CG2 ILE A 3 4.033 16.840 1.962 1.00 0.00 C ATOM 80 CD1 ILE A 3 4.638 14.229 3.398 1.00 0.00 C ATOM 0 H ILE A 3 7.313 14.860 2.785 1.00 0.00 H new ATOM 0 HA ILE A 3 6.576 17.516 1.758 1.00 0.00 H new ATOM 0 HB ILE A 3 4.920 17.708 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.569 15.530 4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.846 15.787 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.019 16.826 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.181 17.750 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.182 15.971 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.443 13.459 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.815 14.259 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.565 13.999 2.873 1.00 0.00 H new ATOM 92 N PHE A 4 7.549 18.609 3.930 1.00 0.00 N ATOM 93 CA PHE A 4 8.458 19.253 4.891 1.00 0.00 C ATOM 94 C PHE A 4 7.659 19.724 6.113 1.00 0.00 C ATOM 95 O PHE A 4 6.881 20.667 6.028 1.00 0.00 O ATOM 96 CB PHE A 4 9.186 20.457 4.221 1.00 0.00 C ATOM 97 CG PHE A 4 10.089 20.065 3.051 1.00 0.00 C ATOM 98 CD1 PHE A 4 9.564 19.843 1.775 1.00 0.00 C ATOM 99 CD2 PHE A 4 11.463 19.902 3.232 1.00 0.00 C ATOM 100 CE1 PHE A 4 10.384 19.478 0.729 1.00 0.00 C ATOM 101 CE2 PHE A 4 12.282 19.534 2.182 1.00 0.00 C ATOM 102 CZ PHE A 4 11.744 19.322 0.931 1.00 0.00 C ATOM 0 H PHE A 4 6.962 19.272 3.424 1.00 0.00 H new ATOM 0 HA PHE A 4 9.211 18.533 5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.440 21.169 3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.785 20.970 4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.504 19.959 1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.893 20.066 4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.963 19.313 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.343 19.413 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.383 19.034 0.109 1.00 0.00 H new ATOM 112 N VAL A 5 7.834 19.034 7.237 1.00 0.00 N ATOM 113 CA VAL A 5 7.251 19.426 8.526 1.00 0.00 C ATOM 114 C VAL A 5 8.369 20.043 9.377 1.00 0.00 C ATOM 115 O VAL A 5 9.353 19.382 9.684 1.00 0.00 O ATOM 116 CB VAL A 5 6.582 18.191 9.243 1.00 0.00 C ATOM 117 CG1 VAL A 5 6.194 18.505 10.694 1.00 0.00 C ATOM 118 CG2 VAL A 5 5.340 17.715 8.457 1.00 0.00 C ATOM 0 H VAL A 5 8.388 18.179 7.284 1.00 0.00 H new ATOM 0 HA VAL A 5 6.458 20.159 8.378 1.00 0.00 H new ATOM 0 HB VAL A 5 7.324 17.393 9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.737 17.625 11.147 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.085 18.782 11.257 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.484 19.332 10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.892 16.862 8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.614 18.526 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.637 17.421 7.450 1.00 0.00 H new ATOM 128 N LYS A 6 8.212 21.319 9.722 1.00 0.00 N ATOM 129 CA LYS A 6 9.254 22.125 10.366 1.00 0.00 C ATOM 130 C LYS A 6 8.881 22.371 11.836 1.00 0.00 C ATOM 131 O LYS A 6 7.845 22.986 12.100 1.00 0.00 O ATOM 132 CB LYS A 6 9.371 23.489 9.618 1.00 0.00 C ATOM 133 CG LYS A 6 10.694 24.242 9.874 1.00 0.00 C ATOM 134 CD LYS A 6 11.871 23.656 9.056 1.00 0.00 C ATOM 135 CE LYS A 6 13.208 24.344 9.370 1.00 0.00 C ATOM 136 NZ LYS A 6 14.286 23.938 8.440 1.00 0.00 N ATOM 0 H LYS A 6 7.345 21.832 9.561 1.00 0.00 H new ATOM 0 HA LYS A 6 10.208 21.599 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.268 23.313 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.540 24.127 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.566 25.294 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.935 24.198 10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.958 22.589 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.655 23.757 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.077 25.425 9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.505 24.106 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.161 23.768 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.008 23.066 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.447 24.694 7.744 1.00 0.00 H new ATOM 150 N THR A 7 9.722 21.918 12.789 1.00 0.00 N ATOM 151 CA THR A 7 9.475 22.154 14.221 1.00 0.00 C ATOM 152 C THR A 7 9.716 23.618 14.597 1.00 0.00 C ATOM 153 O THR A 7 10.353 24.379 13.851 1.00 0.00 O ATOM 154 CB THR A 7 10.374 21.264 15.126 1.00 0.00 C ATOM 155 OG1 THR A 7 11.746 21.428 14.754 1.00 0.00 O ATOM 156 CG2 THR A 7 9.978 19.794 15.060 1.00 0.00 C ATOM 0 H THR A 7 10.572 21.390 12.591 1.00 0.00 H new ATOM 0 HA THR A 7 8.430 21.895 14.389 1.00 0.00 H new ATOM 0 HB THR A 7 10.233 21.588 16.157 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.295 21.518 15.561 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.633 19.211 15.708 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.946 19.680 15.391 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.072 19.438 14.034 1.00 0.00 H new ATOM 164 N LEU A 8 9.219 23.980 15.785 1.00 0.00 N ATOM 165 CA LEU A 8 9.490 25.273 16.418 1.00 0.00 C ATOM 166 C LEU A 8 10.959 25.363 16.899 1.00 0.00 C ATOM 167 O LEU A 8 11.467 26.455 17.136 1.00 0.00 O ATOM 168 CB LEU A 8 8.510 25.485 17.597 1.00 0.00 C ATOM 169 CG LEU A 8 6.989 25.492 17.241 1.00 0.00 C ATOM 170 CD1 LEU A 8 6.130 25.691 18.507 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.656 26.557 16.160 1.00 0.00 C ATOM 0 H LEU A 8 8.611 23.376 16.339 1.00 0.00 H new ATOM 0 HA LEU A 8 9.340 26.063 15.682 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.685 24.700 18.333 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.753 26.433 18.078 1.00 0.00 H new ATOM 0 HG LEU A 8 6.745 24.518 16.817 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.075 25.692 18.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.322 24.879 19.208 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.385 26.642 18.974 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.589 26.531 15.940 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.926 27.547 16.529 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.219 26.342 15.252 1.00 0.00 H new ATOM 183 N THR A 9 11.635 24.201 17.042 1.00 0.00 N ATOM 184 CA THR A 9 13.082 24.145 17.337 1.00 0.00 C ATOM 185 C THR A 9 13.915 24.378 16.052 1.00 0.00 C ATOM 186 O THR A 9 15.127 24.602 16.122 1.00 0.00 O ATOM 187 CB THR A 9 13.471 22.785 18.011 1.00 0.00 C ATOM 188 OG1 THR A 9 12.999 21.691 17.213 1.00 0.00 O ATOM 189 CG2 THR A 9 12.893 22.667 19.438 1.00 0.00 C ATOM 0 H THR A 9 11.196 23.284 16.957 1.00 0.00 H new ATOM 0 HA THR A 9 13.309 24.945 18.042 1.00 0.00 H new ATOM 0 HB THR A 9 14.558 22.752 18.082 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.247 20.844 17.639 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.185 21.710 19.871 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.280 23.478 20.055 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.806 22.730 19.396 1.00 0.00 H new ATOM 197 N GLY A 10 13.245 24.319 14.884 1.00 0.00 N ATOM 198 CA GLY A 10 13.842 24.726 13.607 1.00 0.00 C ATOM 199 C GLY A 10 14.478 23.584 12.833 1.00 0.00 C ATOM 200 O GLY A 10 15.300 23.828 11.940 1.00 0.00 O ATOM 0 H GLY A 10 12.283 23.990 14.804 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.072 25.187 12.988 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.598 25.488 13.797 1.00 0.00 H new ATOM 204 N LYS A 11 14.107 22.337 13.164 1.00 0.00 N ATOM 205 CA LYS A 11 14.564 21.144 12.418 1.00 0.00 C ATOM 206 C LYS A 11 13.512 20.782 11.342 1.00 0.00 C ATOM 207 O LYS A 11 12.324 21.112 11.481 1.00 0.00 O ATOM 208 CB LYS A 11 14.840 19.938 13.374 1.00 0.00 C ATOM 209 CG LYS A 11 13.626 19.037 13.668 1.00 0.00 C ATOM 210 CD LYS A 11 13.933 17.813 14.570 1.00 0.00 C ATOM 211 CE LYS A 11 14.488 16.594 13.807 1.00 0.00 C ATOM 212 NZ LYS A 11 15.811 16.839 13.185 1.00 0.00 N ATOM 0 H LYS A 11 13.489 22.124 13.947 1.00 0.00 H new ATOM 0 HA LYS A 11 15.510 21.376 11.928 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.629 19.325 12.939 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.221 20.325 14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.851 19.638 14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.217 18.681 12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.652 18.109 15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.020 17.519 15.089 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.568 15.751 14.494 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.778 16.307 13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.312 15.935 13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.680 17.286 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.370 17.468 13.796 1.00 0.00 H new ATOM 226 N THR A 12 13.966 20.132 10.266 1.00 0.00 N ATOM 227 CA THR A 12 13.096 19.628 9.193 1.00 0.00 C ATOM 228 C THR A 12 12.861 18.110 9.371 1.00 0.00 C ATOM 229 O THR A 12 13.798 17.345 9.629 1.00 0.00 O ATOM 230 CB THR A 12 13.740 19.898 7.801 1.00 0.00 C ATOM 231 OG1 THR A 12 13.960 21.305 7.632 1.00 0.00 O ATOM 232 CG2 THR A 12 12.878 19.367 6.628 1.00 0.00 C ATOM 0 H THR A 12 14.955 19.938 10.112 1.00 0.00 H new ATOM 0 HA THR A 12 12.140 20.149 9.248 1.00 0.00 H new ATOM 0 HB THR A 12 14.687 19.359 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.923 21.485 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.376 19.583 5.683 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.747 18.290 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.903 19.854 6.644 1.00 0.00 H new ATOM 240 N ILE A 13 11.596 17.711 9.233 1.00 0.00 N ATOM 241 CA ILE A 13 11.148 16.313 9.252 1.00 0.00 C ATOM 242 C ILE A 13 10.465 16.028 7.907 1.00 0.00 C ATOM 243 O ILE A 13 9.396 16.578 7.639 1.00 0.00 O ATOM 244 CB ILE A 13 10.124 16.027 10.430 1.00 0.00 C ATOM 245 CG1 ILE A 13 10.724 16.382 11.831 1.00 0.00 C ATOM 246 CG2 ILE A 13 9.647 14.567 10.410 1.00 0.00 C ATOM 247 CD1 ILE A 13 10.557 17.831 12.230 1.00 0.00 C ATOM 0 H ILE A 13 10.829 18.370 9.101 1.00 0.00 H new ATOM 0 HA ILE A 13 12.012 15.668 9.413 1.00 0.00 H new ATOM 0 HB ILE A 13 9.265 16.677 10.263 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.252 15.753 12.586 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.786 16.137 11.831 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.947 14.402 11.229 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.152 14.359 9.461 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.503 13.903 10.526 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.000 17.991 13.213 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.054 18.469 11.499 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.496 18.079 12.266 1.00 0.00 H new ATOM 259 N THR A 14 11.093 15.212 7.047 1.00 0.00 N ATOM 260 CA THR A 14 10.489 14.813 5.767 1.00 0.00 C ATOM 261 C THR A 14 9.770 13.467 5.932 1.00 0.00 C ATOM 262 O THR A 14 10.346 12.519 6.471 1.00 0.00 O ATOM 263 CB THR A 14 11.547 14.726 4.624 1.00 0.00 C ATOM 264 OG1 THR A 14 12.227 15.997 4.488 1.00 0.00 O ATOM 265 CG2 THR A 14 10.889 14.332 3.280 1.00 0.00 C ATOM 0 H THR A 14 12.018 14.816 7.215 1.00 0.00 H new ATOM 0 HA THR A 14 9.769 15.580 5.482 1.00 0.00 H new ATOM 0 HB THR A 14 12.269 13.953 4.886 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.892 15.937 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.652 14.280 2.503 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.407 13.359 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.144 15.079 3.007 1.00 0.00 H new ATOM 273 N LEU A 15 8.502 13.404 5.470 1.00 0.00 N ATOM 274 CA LEU A 15 7.643 12.206 5.590 1.00 0.00 C ATOM 275 C LEU A 15 7.390 11.630 4.208 1.00 0.00 C ATOM 276 O LEU A 15 7.408 12.367 3.212 1.00 0.00 O ATOM 277 CB LEU A 15 6.271 12.512 6.270 1.00 0.00 C ATOM 278 CG LEU A 15 6.312 13.277 7.627 1.00 0.00 C ATOM 279 CD1 LEU A 15 7.328 12.663 8.597 1.00 0.00 C ATOM 280 CD2 LEU A 15 6.576 14.778 7.433 1.00 0.00 C ATOM 0 H LEU A 15 8.044 14.186 5.002 1.00 0.00 H new ATOM 0 HA LEU A 15 8.172 11.493 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.668 13.092 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.753 11.566 6.429 1.00 0.00 H new ATOM 0 HG LEU A 15 5.323 13.172 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.326 13.225 9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.059 11.626 8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.323 12.700 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.596 15.272 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.535 14.917 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.784 15.211 6.822 1.00 0.00 H new ATOM 292 N GLU A 16 7.110 10.318 4.178 1.00 0.00 N ATOM 293 CA GLU A 16 6.874 9.560 2.942 1.00 0.00 C ATOM 294 C GLU A 16 5.388 9.159 2.879 1.00 0.00 C ATOM 295 O GLU A 16 5.033 7.991 3.110 1.00 0.00 O ATOM 296 CB GLU A 16 7.807 8.310 2.900 1.00 0.00 C ATOM 297 CG GLU A 16 9.287 8.600 3.228 1.00 0.00 C ATOM 298 CD GLU A 16 9.951 9.629 2.299 1.00 0.00 C ATOM 299 OE1 GLU A 16 10.120 9.335 1.095 1.00 0.00 O ATOM 300 OE2 GLU A 16 10.337 10.724 2.778 1.00 0.00 O ATOM 0 H GLU A 16 7.041 9.748 5.021 1.00 0.00 H new ATOM 0 HA GLU A 16 7.106 10.174 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.431 7.569 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.749 7.864 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.356 8.958 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.848 7.667 3.177 1.00 0.00 H new ATOM 307 N VAL A 17 4.511 10.154 2.630 1.00 0.00 N ATOM 308 CA VAL A 17 3.041 9.951 2.549 1.00 0.00 C ATOM 309 C VAL A 17 2.452 10.799 1.416 1.00 0.00 C ATOM 310 O VAL A 17 3.121 11.656 0.840 1.00 0.00 O ATOM 311 CB VAL A 17 2.275 10.295 3.890 1.00 0.00 C ATOM 312 CG1 VAL A 17 2.805 9.496 5.093 1.00 0.00 C ATOM 313 CG2 VAL A 17 2.280 11.807 4.182 1.00 0.00 C ATOM 0 H VAL A 17 4.797 11.121 2.479 1.00 0.00 H new ATOM 0 HA VAL A 17 2.899 8.887 2.358 1.00 0.00 H new ATOM 0 HB VAL A 17 1.240 9.990 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.245 9.770 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.685 8.429 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.861 9.721 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.744 12.000 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.308 12.156 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.791 12.337 3.364 1.00 0.00 H new ATOM 323 N GLU A 18 1.166 10.585 1.147 1.00 0.00 N ATOM 324 CA GLU A 18 0.466 11.172 -0.006 1.00 0.00 C ATOM 325 C GLU A 18 -0.406 12.354 0.455 1.00 0.00 C ATOM 326 O GLU A 18 -0.704 12.460 1.653 1.00 0.00 O ATOM 327 CB GLU A 18 -0.397 10.060 -0.666 1.00 0.00 C ATOM 328 CG GLU A 18 0.298 8.689 -0.673 1.00 0.00 C ATOM 329 CD GLU A 18 -0.394 7.630 -1.537 1.00 0.00 C ATOM 330 OE1 GLU A 18 -0.624 7.884 -2.733 1.00 0.00 O ATOM 331 OE2 GLU A 18 -0.697 6.535 -1.035 1.00 0.00 O ATOM 0 H GLU A 18 0.570 9.994 1.726 1.00 0.00 H new ATOM 0 HA GLU A 18 1.180 11.555 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.345 9.979 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.631 10.349 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.321 8.816 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.358 8.321 0.351 1.00 0.00 H new ATOM 338 N PRO A 19 -0.842 13.268 -0.476 1.00 0.00 N ATOM 339 CA PRO A 19 -1.836 14.318 -0.138 1.00 0.00 C ATOM 340 C PRO A 19 -3.161 13.690 0.355 1.00 0.00 C ATOM 341 O PRO A 19 -3.767 14.165 1.307 1.00 0.00 O ATOM 342 CB PRO A 19 -2.017 15.099 -1.473 1.00 0.00 C ATOM 343 CG PRO A 19 -1.549 14.141 -2.531 1.00 0.00 C ATOM 344 CD PRO A 19 -0.404 13.382 -1.898 1.00 0.00 C ATOM 0 HA PRO A 19 -1.514 14.968 0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.057 15.386 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.429 16.017 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.350 13.466 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.223 14.671 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.261 12.404 -2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.540 13.919 -1.990 1.00 0.00 H new ATOM 352 N SER A 20 -3.543 12.558 -0.254 1.00 0.00 N ATOM 353 CA SER A 20 -4.824 11.884 -0.001 1.00 0.00 C ATOM 354 C SER A 20 -4.659 10.747 1.025 1.00 0.00 C ATOM 355 O SER A 20 -5.551 9.904 1.165 1.00 0.00 O ATOM 356 CB SER A 20 -5.356 11.354 -1.347 1.00 0.00 C ATOM 357 OG SER A 20 -4.380 10.548 -1.993 1.00 0.00 O ATOM 0 H SER A 20 -2.964 12.080 -0.944 1.00 0.00 H new ATOM 0 HA SER A 20 -5.539 12.587 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.263 10.772 -1.181 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.627 12.191 -1.991 1.00 0.00 H new ATOM 0 HG SER A 20 -4.738 10.220 -2.844 1.00 0.00 H new ATOM 363 N ASP A 21 -3.519 10.754 1.755 1.00 0.00 N ATOM 364 CA ASP A 21 -3.207 9.760 2.794 1.00 0.00 C ATOM 365 C ASP A 21 -4.113 10.002 4.036 1.00 0.00 C ATOM 366 O ASP A 21 -5.285 9.598 4.008 1.00 0.00 O ATOM 367 CB ASP A 21 -1.673 9.819 3.078 1.00 0.00 C ATOM 368 CG ASP A 21 -1.170 8.880 4.180 1.00 0.00 C ATOM 369 OD1 ASP A 21 -1.073 7.659 3.940 1.00 0.00 O ATOM 370 OD2 ASP A 21 -0.846 9.373 5.275 1.00 0.00 O ATOM 0 H ASP A 21 -2.789 11.456 1.634 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.428 8.742 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.141 9.586 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.410 10.842 3.348 1.00 0.00 H new ATOM 375 N THR A 22 -3.586 10.685 5.081 1.00 0.00 N ATOM 376 CA THR A 22 -4.344 11.126 6.279 1.00 0.00 C ATOM 377 C THR A 22 -3.371 11.748 7.287 1.00 0.00 C ATOM 378 O THR A 22 -2.250 11.258 7.452 1.00 0.00 O ATOM 379 CB THR A 22 -5.186 9.993 6.991 1.00 0.00 C ATOM 380 OG1 THR A 22 -5.919 10.540 8.103 1.00 0.00 O ATOM 381 CG2 THR A 22 -4.334 8.818 7.490 1.00 0.00 C ATOM 0 H THR A 22 -2.602 10.951 5.116 1.00 0.00 H new ATOM 0 HA THR A 22 -5.075 11.851 5.920 1.00 0.00 H new ATOM 0 HB THR A 22 -5.865 9.605 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.172 11.466 7.905 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.977 8.079 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.818 8.359 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.601 9.180 8.211 1.00 0.00 H new ATOM 389 N ILE A 23 -3.822 12.818 7.972 1.00 0.00 N ATOM 390 CA ILE A 23 -3.011 13.588 8.939 1.00 0.00 C ATOM 391 C ILE A 23 -2.540 12.710 10.124 1.00 0.00 C ATOM 392 O ILE A 23 -1.408 12.867 10.602 1.00 0.00 O ATOM 393 CB ILE A 23 -3.812 14.826 9.500 1.00 0.00 C ATOM 394 CG1 ILE A 23 -4.244 15.807 8.355 1.00 0.00 C ATOM 395 CG2 ILE A 23 -3.017 15.584 10.601 1.00 0.00 C ATOM 396 CD1 ILE A 23 -3.096 16.483 7.622 1.00 0.00 C ATOM 0 H ILE A 23 -4.771 13.177 7.869 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.135 13.941 8.395 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.716 14.427 9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.843 15.255 7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.888 16.577 8.780 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.606 16.429 10.959 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.810 14.908 11.431 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.077 15.947 10.186 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.495 17.141 6.850 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.507 17.068 8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.462 15.725 7.161 1.00 0.00 H new ATOM 408 N GLU A 24 -3.430 11.804 10.595 1.00 0.00 N ATOM 409 CA GLU A 24 -3.116 10.864 11.704 1.00 0.00 C ATOM 410 C GLU A 24 -1.882 9.992 11.375 1.00 0.00 C ATOM 411 O GLU A 24 -1.060 9.669 12.252 1.00 0.00 O ATOM 412 CB GLU A 24 -4.334 9.960 12.020 1.00 0.00 C ATOM 413 CG GLU A 24 -4.115 8.992 13.206 1.00 0.00 C ATOM 414 CD GLU A 24 -5.305 8.056 13.465 1.00 0.00 C ATOM 415 OE1 GLU A 24 -5.556 7.167 12.626 1.00 0.00 O ATOM 416 OE2 GLU A 24 -5.995 8.212 14.495 1.00 0.00 O ATOM 0 H GLU A 24 -4.375 11.702 10.224 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.884 11.465 12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.195 10.592 12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.581 9.378 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.226 8.391 13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.918 9.573 14.107 1.00 0.00 H new ATOM 423 N ASN A 25 -1.751 9.640 10.096 1.00 0.00 N ATOM 424 CA ASN A 25 -0.627 8.826 9.616 1.00 0.00 C ATOM 425 C ASN A 25 0.635 9.674 9.523 1.00 0.00 C ATOM 426 O ASN A 25 1.705 9.226 9.918 1.00 0.00 O ATOM 427 CB ASN A 25 -0.958 8.225 8.249 1.00 0.00 C ATOM 428 CG ASN A 25 0.041 7.160 7.795 1.00 0.00 C ATOM 429 OD1 ASN A 25 0.991 7.540 6.964 1.00 0.00 O flip ATOM 430 ND2 ASN A 25 -0.061 5.997 8.179 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.413 9.907 9.367 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.454 8.016 10.324 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.955 7.785 8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.989 9.023 7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.808 5.736 8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.601 5.293 7.854 1.00 0.00 H new ATOM 437 N VAL A 26 0.465 10.907 9.010 1.00 0.00 N ATOM 438 CA VAL A 26 1.564 11.889 8.842 1.00 0.00 C ATOM 439 C VAL A 26 2.281 12.125 10.183 1.00 0.00 C ATOM 440 O VAL A 26 3.499 12.060 10.246 1.00 0.00 O ATOM 441 CB VAL A 26 1.060 13.279 8.272 1.00 0.00 C ATOM 442 CG1 VAL A 26 2.227 14.291 8.066 1.00 0.00 C ATOM 443 CG2 VAL A 26 0.271 13.092 6.961 1.00 0.00 C ATOM 0 H VAL A 26 -0.441 11.256 8.698 1.00 0.00 H new ATOM 0 HA VAL A 26 2.254 11.460 8.115 1.00 0.00 H new ATOM 0 HB VAL A 26 0.391 13.700 9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.831 15.228 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.721 14.476 9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.947 13.878 7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.061 14.063 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.912 12.623 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.596 12.458 7.145 1.00 0.00 H new ATOM 453 N LYS A 27 1.497 12.347 11.257 1.00 0.00 N ATOM 454 CA LYS A 27 2.037 12.622 12.610 1.00 0.00 C ATOM 455 C LYS A 27 2.708 11.377 13.219 1.00 0.00 C ATOM 456 O LYS A 27 3.676 11.499 13.984 1.00 0.00 O ATOM 457 CB LYS A 27 0.930 13.163 13.539 1.00 0.00 C ATOM 458 CG LYS A 27 -0.237 12.207 13.818 1.00 0.00 C ATOM 459 CD LYS A 27 -1.367 12.867 14.627 1.00 0.00 C ATOM 460 CE LYS A 27 -1.998 14.067 13.904 1.00 0.00 C ATOM 461 NZ LYS A 27 -2.953 14.795 14.775 1.00 0.00 N ATOM 0 H LYS A 27 0.478 12.342 11.215 1.00 0.00 H new ATOM 0 HA LYS A 27 2.806 13.388 12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.384 13.439 14.491 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.529 14.077 13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.638 11.844 12.872 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.133 11.338 14.362 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.140 12.126 14.833 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.974 13.195 15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.213 14.748 13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.514 13.721 13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.678 15.254 14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.408 14.125 15.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.443 15.517 15.322 1.00 0.00 H new ATOM 475 N ALA A 28 2.181 10.182 12.871 1.00 0.00 N ATOM 476 CA ALA A 28 2.836 8.899 13.195 1.00 0.00 C ATOM 477 C ALA A 28 4.187 8.769 12.455 1.00 0.00 C ATOM 478 O ALA A 28 5.111 8.124 12.953 1.00 0.00 O ATOM 479 CB ALA A 28 1.906 7.722 12.850 1.00 0.00 C ATOM 0 H ALA A 28 1.301 10.082 12.364 1.00 0.00 H new ATOM 0 HA ALA A 28 3.038 8.876 14.266 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.402 6.783 13.094 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.984 7.806 13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.672 7.743 11.786 1.00 0.00 H new ATOM 485 N LYS A 29 4.291 9.405 11.267 1.00 0.00 N ATOM 486 CA LYS A 29 5.536 9.423 10.483 1.00 0.00 C ATOM 487 C LYS A 29 6.558 10.404 11.095 1.00 0.00 C ATOM 488 O LYS A 29 7.744 10.132 11.031 1.00 0.00 O ATOM 489 CB LYS A 29 5.293 9.763 8.982 1.00 0.00 C ATOM 490 CG LYS A 29 4.325 8.853 8.194 1.00 0.00 C ATOM 491 CD LYS A 29 4.629 7.326 8.289 1.00 0.00 C ATOM 492 CE LYS A 29 3.745 6.601 9.317 1.00 0.00 C ATOM 493 NZ LYS A 29 4.157 5.189 9.509 1.00 0.00 N ATOM 0 H LYS A 29 3.521 9.914 10.832 1.00 0.00 H new ATOM 0 HA LYS A 29 5.944 8.413 10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.917 10.784 8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.257 9.750 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.311 9.029 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.347 9.148 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.485 6.871 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.677 7.185 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.794 7.126 10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.706 6.634 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.535 4.738 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.086 4.681 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.140 5.157 9.847 1.00 0.00 H new ATOM 507 N ILE A 30 6.106 11.560 11.659 1.00 0.00 N ATOM 508 CA ILE A 30 7.005 12.467 12.433 1.00 0.00 C ATOM 509 C ILE A 30 7.656 11.683 13.603 1.00 0.00 C ATOM 510 O ILE A 30 8.867 11.778 13.846 1.00 0.00 O ATOM 511 CB ILE A 30 6.268 13.775 12.979 1.00 0.00 C ATOM 512 CG1 ILE A 30 6.062 14.866 11.861 1.00 0.00 C ATOM 513 CG2 ILE A 30 7.009 14.407 14.182 1.00 0.00 C ATOM 514 CD1 ILE A 30 4.887 14.662 10.937 1.00 0.00 C ATOM 0 H ILE A 30 5.141 11.883 11.594 1.00 0.00 H new ATOM 0 HA ILE A 30 7.773 12.818 11.744 1.00 0.00 H new ATOM 0 HB ILE A 30 5.288 13.433 13.311 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.952 15.836 12.346 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.968 14.913 11.257 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.469 15.293 14.517 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.062 13.685 14.997 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.018 14.689 13.881 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.849 15.475 10.212 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.997 13.713 10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.965 14.651 11.518 1.00 0.00 H new ATOM 526 N GLN A 31 6.820 10.879 14.275 1.00 0.00 N ATOM 527 CA GLN A 31 7.246 9.972 15.353 1.00 0.00 C ATOM 528 C GLN A 31 8.246 8.910 14.834 1.00 0.00 C ATOM 529 O GLN A 31 9.124 8.471 15.564 1.00 0.00 O ATOM 530 CB GLN A 31 5.992 9.297 15.967 1.00 0.00 C ATOM 531 CG GLN A 31 6.277 8.322 17.127 1.00 0.00 C ATOM 532 CD GLN A 31 5.014 7.661 17.712 1.00 0.00 C ATOM 533 OE1 GLN A 31 3.996 7.419 16.890 1.00 0.00 O flip ATOM 534 NE2 GLN A 31 4.962 7.350 18.900 1.00 0.00 N flip ATOM 0 H GLN A 31 5.819 10.839 14.084 1.00 0.00 H new ATOM 0 HA GLN A 31 7.762 10.549 16.120 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.318 10.075 16.324 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.467 8.757 15.179 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.953 7.543 16.776 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.795 8.859 17.921 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.754 7.544 19.513 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.127 6.897 19.273 1.00 0.00 H new ATOM 543 N ASP A 32 8.090 8.517 13.564 1.00 0.00 N ATOM 544 CA ASP A 32 9.011 7.576 12.881 1.00 0.00 C ATOM 545 C ASP A 32 10.379 8.235 12.584 1.00 0.00 C ATOM 546 O ASP A 32 11.404 7.550 12.588 1.00 0.00 O ATOM 547 CB ASP A 32 8.343 7.049 11.576 1.00 0.00 C ATOM 548 CG ASP A 32 9.246 6.158 10.696 1.00 0.00 C ATOM 549 OD1 ASP A 32 9.437 4.969 11.039 1.00 0.00 O ATOM 550 OD2 ASP A 32 9.772 6.642 9.664 1.00 0.00 O ATOM 0 H ASP A 32 7.323 8.838 12.973 1.00 0.00 H new ATOM 0 HA ASP A 32 9.204 6.734 13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.451 6.483 11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.013 7.903 10.984 1.00 0.00 H new ATOM 555 N LYS A 33 10.396 9.569 12.351 1.00 0.00 N ATOM 556 CA LYS A 33 11.630 10.273 11.918 1.00 0.00 C ATOM 557 C LYS A 33 12.387 10.845 13.134 1.00 0.00 C ATOM 558 O LYS A 33 13.434 10.317 13.511 1.00 0.00 O ATOM 559 CB LYS A 33 11.307 11.423 10.920 1.00 0.00 C ATOM 560 CG LYS A 33 10.413 11.047 9.726 1.00 0.00 C ATOM 561 CD LYS A 33 11.034 10.030 8.748 1.00 0.00 C ATOM 562 CE LYS A 33 10.006 9.567 7.697 1.00 0.00 C ATOM 563 NZ LYS A 33 10.559 8.561 6.759 1.00 0.00 N ATOM 0 H LYS A 33 9.581 10.174 12.453 1.00 0.00 H new ATOM 0 HA LYS A 33 12.260 9.541 11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.824 12.230 11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.247 11.818 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.476 10.639 10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.165 11.955 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.892 10.480 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.404 9.168 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.138 9.146 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.656 10.431 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.785 8.136 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.231 9.022 6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.050 7.818 7.296 1.00 0.00 H new ATOM 577 N GLU A 34 11.822 11.898 13.781 1.00 0.00 N ATOM 578 CA GLU A 34 12.497 12.590 14.907 1.00 0.00 C ATOM 579 C GLU A 34 12.326 11.813 16.222 1.00 0.00 C ATOM 580 O GLU A 34 13.161 11.929 17.126 1.00 0.00 O ATOM 581 CB GLU A 34 12.021 14.065 15.072 1.00 0.00 C ATOM 582 CG GLU A 34 10.518 14.269 15.372 1.00 0.00 C ATOM 583 CD GLU A 34 10.124 15.728 15.754 1.00 0.00 C ATOM 584 OE1 GLU A 34 10.955 16.652 15.610 1.00 0.00 O ATOM 585 OE2 GLU A 34 8.987 15.942 16.224 1.00 0.00 O ATOM 0 H GLU A 34 10.908 12.283 13.543 1.00 0.00 H new ATOM 0 HA GLU A 34 13.558 12.621 14.660 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.596 14.522 15.877 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.265 14.608 14.159 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.942 13.969 14.496 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.230 13.604 16.186 1.00 0.00 H new ATOM 592 N GLY A 35 11.240 11.021 16.315 1.00 0.00 N ATOM 593 CA GLY A 35 11.014 10.131 17.459 1.00 0.00 C ATOM 594 C GLY A 35 10.109 10.718 18.526 1.00 0.00 C ATOM 595 O GLY A 35 10.100 10.235 19.665 1.00 0.00 O ATOM 0 H GLY A 35 10.507 10.983 15.607 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.579 9.198 17.101 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.975 9.882 17.909 1.00 0.00 H new ATOM 599 N ILE A 36 9.334 11.752 18.165 1.00 0.00 N ATOM 600 CA ILE A 36 8.416 12.431 19.102 1.00 0.00 C ATOM 601 C ILE A 36 6.967 11.953 18.820 1.00 0.00 C ATOM 602 O ILE A 36 6.496 12.082 17.685 1.00 0.00 O ATOM 603 CB ILE A 36 8.526 14.019 19.024 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.830 14.560 19.721 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.286 14.705 19.647 1.00 0.00 C ATOM 606 CD1 ILE A 36 11.144 14.271 19.015 1.00 0.00 C ATOM 0 H ILE A 36 9.323 12.142 17.222 1.00 0.00 H new ATOM 0 HA ILE A 36 8.702 12.162 20.119 1.00 0.00 H new ATOM 0 HB ILE A 36 8.576 14.268 17.964 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.734 15.640 19.834 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.881 14.137 20.724 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.395 15.787 19.576 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.390 14.395 19.109 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.199 14.417 20.695 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.967 14.693 19.591 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.279 13.193 18.925 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.129 14.719 18.021 1.00 0.00 H new ATOM 618 N PRO A 37 6.240 11.398 19.852 1.00 0.00 N ATOM 619 CA PRO A 37 4.892 10.792 19.664 1.00 0.00 C ATOM 620 C PRO A 37 3.805 11.854 19.359 1.00 0.00 C ATOM 621 O PRO A 37 3.982 13.018 19.737 1.00 0.00 O ATOM 622 CB PRO A 37 4.644 10.081 21.025 1.00 0.00 C ATOM 623 CG PRO A 37 5.394 10.916 22.012 1.00 0.00 C ATOM 624 CD PRO A 37 6.653 11.359 21.289 1.00 0.00 C ATOM 0 HA PRO A 37 4.845 10.117 18.809 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.582 10.038 21.265 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.010 9.054 21.011 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.802 11.774 22.332 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.636 10.344 22.908 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.991 12.336 21.635 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.475 10.661 21.451 1.00 0.00 H new ATOM 632 N PRO A 38 2.655 11.457 18.694 1.00 0.00 N ATOM 633 CA PRO A 38 1.548 12.387 18.327 1.00 0.00 C ATOM 634 C PRO A 38 0.953 13.162 19.524 1.00 0.00 C ATOM 635 O PRO A 38 0.261 14.156 19.329 1.00 0.00 O ATOM 636 CB PRO A 38 0.490 11.464 17.647 1.00 0.00 C ATOM 637 CG PRO A 38 0.847 10.081 18.091 1.00 0.00 C ATOM 638 CD PRO A 38 2.352 10.081 18.222 1.00 0.00 C ATOM 0 HA PRO A 38 1.906 13.183 17.674 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.522 11.729 17.954 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.527 11.553 16.561 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.370 9.837 19.040 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.515 9.337 17.367 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.694 9.328 18.932 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.838 9.866 17.271 1.00 0.00 H new ATOM 646 N ASP A 39 1.221 12.704 20.756 1.00 0.00 N ATOM 647 CA ASP A 39 0.823 13.441 21.973 1.00 0.00 C ATOM 648 C ASP A 39 1.698 14.701 22.143 1.00 0.00 C ATOM 649 O ASP A 39 1.188 15.803 22.358 1.00 0.00 O ATOM 650 CB ASP A 39 0.938 12.532 23.224 1.00 0.00 C ATOM 651 CG ASP A 39 0.560 13.230 24.551 1.00 0.00 C ATOM 652 OD1 ASP A 39 -0.534 13.819 24.633 1.00 0.00 O ATOM 653 OD2 ASP A 39 1.336 13.164 25.529 1.00 0.00 O ATOM 0 H ASP A 39 1.711 11.828 20.940 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.217 13.748 21.867 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.295 11.662 23.088 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.961 12.163 23.299 1.00 0.00 H new ATOM 658 N GLN A 40 3.017 14.515 21.992 1.00 0.00 N ATOM 659 CA GLN A 40 4.036 15.554 22.274 1.00 0.00 C ATOM 660 C GLN A 40 4.225 16.524 21.087 1.00 0.00 C ATOM 661 O GLN A 40 4.741 17.619 21.266 1.00 0.00 O ATOM 662 CB GLN A 40 5.391 14.872 22.675 1.00 0.00 C ATOM 663 CG GLN A 40 5.692 14.791 24.188 1.00 0.00 C ATOM 664 CD GLN A 40 4.507 14.340 25.038 1.00 0.00 C ATOM 665 OE1 GLN A 40 3.761 15.165 25.564 1.00 0.00 O ATOM 666 NE2 GLN A 40 4.308 13.040 25.154 1.00 0.00 N ATOM 0 H GLN A 40 3.417 13.634 21.668 1.00 0.00 H new ATOM 0 HA GLN A 40 3.681 16.157 23.110 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.399 13.860 22.270 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.204 15.415 22.193 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.521 14.101 24.346 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.022 15.770 24.535 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.947 12.384 24.704 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.515 12.692 25.693 1.00 0.00 H new ATOM 675 N GLN A 41 3.842 16.099 19.887 1.00 0.00 N ATOM 676 CA GLN A 41 3.908 16.943 18.670 1.00 0.00 C ATOM 677 C GLN A 41 2.491 17.344 18.213 1.00 0.00 C ATOM 678 O GLN A 41 1.519 16.637 18.504 1.00 0.00 O ATOM 679 CB GLN A 41 4.708 16.199 17.565 1.00 0.00 C ATOM 680 CG GLN A 41 4.181 14.814 17.126 1.00 0.00 C ATOM 681 CD GLN A 41 3.182 14.864 15.969 1.00 0.00 C ATOM 682 OE1 GLN A 41 3.690 14.906 14.760 1.00 0.00 O flip ATOM 683 NE2 GLN A 41 1.971 14.910 16.162 1.00 0.00 N flip ATOM 0 H GLN A 41 3.475 15.162 19.717 1.00 0.00 H new ATOM 0 HA GLN A 41 4.436 17.871 18.890 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.746 16.841 16.685 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.733 16.076 17.914 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.027 14.191 16.835 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.707 14.330 17.980 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.604 14.875 17.113 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.331 14.983 15.371 1.00 0.00 H new ATOM 692 N ARG A 42 2.376 18.500 17.522 1.00 0.00 N ATOM 693 CA ARG A 42 1.091 19.005 17.005 1.00 0.00 C ATOM 694 C ARG A 42 1.275 19.580 15.590 1.00 0.00 C ATOM 695 O ARG A 42 2.240 20.292 15.326 1.00 0.00 O ATOM 696 CB ARG A 42 0.534 20.085 17.969 1.00 0.00 C ATOM 697 CG ARG A 42 -0.987 20.308 17.874 1.00 0.00 C ATOM 698 CD ARG A 42 -1.489 21.243 18.976 1.00 0.00 C ATOM 699 NE ARG A 42 -2.948 21.185 19.131 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.642 21.726 20.144 1.00 0.00 C ATOM 701 NH1 ARG A 42 -3.031 22.423 21.107 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.952 21.556 20.192 1.00 0.00 N ATOM 0 H ARG A 42 3.170 19.105 17.309 1.00 0.00 H new ATOM 0 HA ARG A 42 0.377 18.183 16.946 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.783 19.803 18.992 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.040 21.029 17.766 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.233 20.728 16.899 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.501 19.350 17.947 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.014 20.977 19.920 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.190 22.266 18.746 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.477 20.694 18.410 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.019 22.551 21.080 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.576 22.826 21.869 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.424 21.019 19.464 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.491 21.962 20.957 1.00 0.00 H new ATOM 716 N LEU A 43 0.319 19.284 14.698 1.00 0.00 N ATOM 717 CA LEU A 43 0.383 19.659 13.269 1.00 0.00 C ATOM 718 C LEU A 43 -0.422 20.928 13.017 1.00 0.00 C ATOM 719 O LEU A 43 -1.596 20.980 13.375 1.00 0.00 O ATOM 720 CB LEU A 43 -0.161 18.497 12.375 1.00 0.00 C ATOM 721 CG LEU A 43 0.846 17.361 12.035 1.00 0.00 C ATOM 722 CD1 LEU A 43 2.048 17.926 11.246 1.00 0.00 C ATOM 723 CD2 LEU A 43 1.293 16.621 13.303 1.00 0.00 C ATOM 0 H LEU A 43 -0.529 18.774 14.945 1.00 0.00 H new ATOM 0 HA LEU A 43 1.425 19.845 13.009 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.021 18.053 12.876 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.523 18.925 11.440 1.00 0.00 H new ATOM 0 HG LEU A 43 0.344 16.631 11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.744 17.119 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.695 18.377 10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.555 18.681 11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.996 15.833 13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.776 17.323 13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.424 16.181 13.793 1.00 0.00 H new ATOM 735 N ILE A 44 0.230 21.955 12.422 1.00 0.00 N ATOM 736 CA ILE A 44 -0.407 23.240 12.058 1.00 0.00 C ATOM 737 C ILE A 44 0.173 23.744 10.722 1.00 0.00 C ATOM 738 O ILE A 44 1.387 23.897 10.593 1.00 0.00 O ATOM 739 CB ILE A 44 -0.207 24.328 13.192 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.902 23.858 14.513 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.729 25.731 12.764 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.597 24.675 15.730 1.00 0.00 C ATOM 0 H ILE A 44 1.220 21.913 12.180 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.479 23.073 11.949 1.00 0.00 H new ATOM 0 HB ILE A 44 0.864 24.430 13.365 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.981 23.861 14.356 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.611 22.826 14.708 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.569 26.442 13.575 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.190 26.065 11.878 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.794 25.670 12.539 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.129 24.263 16.588 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.475 24.653 15.924 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.915 25.705 15.566 1.00 0.00 H new ATOM 754 N PHE A 45 -0.707 24.010 9.746 1.00 0.00 N ATOM 755 CA PHE A 45 -0.345 24.551 8.419 1.00 0.00 C ATOM 756 C PHE A 45 -1.153 25.829 8.189 1.00 0.00 C ATOM 757 O PHE A 45 -2.373 25.796 8.311 1.00 0.00 O ATOM 758 CB PHE A 45 -0.659 23.496 7.324 1.00 0.00 C ATOM 759 CG PHE A 45 -0.418 23.929 5.866 1.00 0.00 C ATOM 760 CD1 PHE A 45 0.845 23.818 5.286 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.462 24.410 5.068 1.00 0.00 C ATOM 762 CE1 PHE A 45 1.065 24.169 3.971 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.239 24.758 3.750 1.00 0.00 C ATOM 764 CZ PHE A 45 0.024 24.636 3.203 1.00 0.00 C ATOM 0 H PHE A 45 -1.709 23.854 9.854 1.00 0.00 H new ATOM 0 HA PHE A 45 0.720 24.780 8.373 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.056 22.609 7.521 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.703 23.200 7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.669 23.449 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.452 24.510 5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.053 24.077 3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.054 25.127 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.194 24.908 2.172 1.00 0.00 H new ATOM 774 N ALA A 46 -0.463 26.943 7.894 1.00 0.00 N ATOM 775 CA ALA A 46 -1.094 28.238 7.545 1.00 0.00 C ATOM 776 C ALA A 46 -1.995 28.795 8.682 1.00 0.00 C ATOM 777 O ALA A 46 -2.935 29.559 8.422 1.00 0.00 O ATOM 778 CB ALA A 46 -1.860 28.123 6.201 1.00 0.00 C ATOM 0 H ALA A 46 0.556 26.976 7.889 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.293 28.967 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.317 29.083 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.165 27.843 5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.636 27.363 6.289 1.00 0.00 H new ATOM 784 N GLY A 47 -1.681 28.421 9.940 1.00 0.00 N ATOM 785 CA GLY A 47 -2.376 28.946 11.121 1.00 0.00 C ATOM 786 C GLY A 47 -3.498 28.038 11.634 1.00 0.00 C ATOM 787 O GLY A 47 -3.961 28.204 12.770 1.00 0.00 O ATOM 0 H GLY A 47 -0.943 27.751 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.650 29.098 11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.794 29.923 10.880 1.00 0.00 H new ATOM 791 N LYS A 48 -3.942 27.075 10.807 1.00 0.00 N ATOM 792 CA LYS A 48 -5.020 26.126 11.179 1.00 0.00 C ATOM 793 C LYS A 48 -4.389 24.803 11.636 1.00 0.00 C ATOM 794 O LYS A 48 -3.365 24.368 11.086 1.00 0.00 O ATOM 795 CB LYS A 48 -5.983 25.900 9.977 1.00 0.00 C ATOM 796 CG LYS A 48 -5.376 25.083 8.795 1.00 0.00 C ATOM 797 CD LYS A 48 -5.840 25.553 7.403 1.00 0.00 C ATOM 798 CE LYS A 48 -5.397 26.987 7.085 1.00 0.00 C ATOM 799 NZ LYS A 48 -5.899 27.431 5.767 1.00 0.00 N ATOM 0 H LYS A 48 -3.571 26.929 9.868 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.607 26.541 11.999 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.874 25.385 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.306 26.871 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.289 25.146 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.641 24.033 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.443 24.878 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.927 25.492 7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.761 27.661 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.309 27.044 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.581 28.404 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.531 26.802 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.939 27.400 5.763 1.00 0.00 H new ATOM 813 N GLN A 49 -4.990 24.179 12.657 1.00 0.00 N ATOM 814 CA GLN A 49 -4.499 22.909 13.201 1.00 0.00 C ATOM 815 C GLN A 49 -5.035 21.743 12.341 1.00 0.00 C ATOM 816 O GLN A 49 -6.230 21.697 12.018 1.00 0.00 O ATOM 817 CB GLN A 49 -4.891 22.784 14.711 1.00 0.00 C ATOM 818 CG GLN A 49 -4.089 21.721 15.508 1.00 0.00 C ATOM 819 CD GLN A 49 -4.497 20.283 15.199 1.00 0.00 C ATOM 820 OE1 GLN A 49 -5.673 19.984 14.998 1.00 0.00 O ATOM 821 NE2 GLN A 49 -3.533 19.411 15.070 1.00 0.00 N ATOM 0 H GLN A 49 -5.823 24.537 13.125 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.410 22.872 13.158 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.754 23.754 15.188 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.952 22.543 14.777 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.028 21.842 15.291 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.220 21.905 16.574 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.567 19.689 15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.746 18.452 14.796 1.00 0.00 H new ATOM 830 N LEU A 50 -4.135 20.812 11.977 1.00 0.00 N ATOM 831 CA LEU A 50 -4.445 19.699 11.081 1.00 0.00 C ATOM 832 C LEU A 50 -5.115 18.535 11.853 1.00 0.00 C ATOM 833 O LEU A 50 -4.495 17.915 12.729 1.00 0.00 O ATOM 834 CB LEU A 50 -3.166 19.221 10.362 1.00 0.00 C ATOM 835 CG LEU A 50 -2.287 20.326 9.685 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.172 19.695 8.842 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.136 21.326 8.862 1.00 0.00 C ATOM 0 H LEU A 50 -3.168 20.817 12.302 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.153 20.048 10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.547 18.689 11.085 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.454 18.499 9.598 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.818 20.904 10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.574 20.482 8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.535 19.083 9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.613 19.072 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.483 22.073 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.670 20.790 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.854 21.819 9.517 1.00 0.00 H new ATOM 849 N GLU A 51 -6.368 18.245 11.485 1.00 0.00 N ATOM 850 CA GLU A 51 -7.221 17.249 12.149 1.00 0.00 C ATOM 851 C GLU A 51 -6.924 15.834 11.604 1.00 0.00 C ATOM 852 O GLU A 51 -6.786 15.663 10.393 1.00 0.00 O ATOM 853 CB GLU A 51 -8.695 17.654 11.897 1.00 0.00 C ATOM 854 CG GLU A 51 -9.767 16.672 12.404 1.00 0.00 C ATOM 855 CD GLU A 51 -11.193 17.175 12.124 1.00 0.00 C ATOM 856 OE1 GLU A 51 -11.687 18.040 12.879 1.00 0.00 O ATOM 857 OE2 GLU A 51 -11.810 16.727 11.137 1.00 0.00 O ATOM 0 H GLU A 51 -6.829 18.706 10.700 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.023 17.223 13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.869 18.623 12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.834 17.789 10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.625 15.703 11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.641 16.520 13.476 1.00 0.00 H new ATOM 864 N ASP A 52 -6.897 14.838 12.515 1.00 0.00 N ATOM 865 CA ASP A 52 -6.475 13.441 12.227 1.00 0.00 C ATOM 866 C ASP A 52 -7.281 12.799 11.091 1.00 0.00 C ATOM 867 O ASP A 52 -6.701 12.194 10.176 1.00 0.00 O ATOM 868 CB ASP A 52 -6.627 12.569 13.500 1.00 0.00 C ATOM 869 CG ASP A 52 -5.693 12.994 14.629 1.00 0.00 C ATOM 870 OD1 ASP A 52 -5.902 14.081 15.203 1.00 0.00 O ATOM 871 OD2 ASP A 52 -4.728 12.265 14.938 1.00 0.00 O ATOM 0 H ASP A 52 -7.171 14.979 13.487 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.433 13.489 11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.658 12.623 13.849 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.430 11.527 13.246 1.00 0.00 H new ATOM 876 N GLY A 53 -8.621 12.945 11.190 1.00 0.00 N ATOM 877 CA GLY A 53 -9.574 12.325 10.259 1.00 0.00 C ATOM 878 C GLY A 53 -9.528 12.904 8.855 1.00 0.00 C ATOM 879 O GLY A 53 -10.022 12.289 7.903 1.00 0.00 O ATOM 0 H GLY A 53 -9.067 13.498 11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.372 11.255 10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.582 12.440 10.656 1.00 0.00 H new ATOM 883 N ARG A 54 -8.943 14.103 8.735 1.00 0.00 N ATOM 884 CA ARG A 54 -8.719 14.776 7.447 1.00 0.00 C ATOM 885 C ARG A 54 -7.415 14.299 6.796 1.00 0.00 C ATOM 886 O ARG A 54 -6.674 13.485 7.358 1.00 0.00 O ATOM 887 CB ARG A 54 -8.687 16.305 7.671 1.00 0.00 C ATOM 888 CG ARG A 54 -10.009 16.873 8.216 1.00 0.00 C ATOM 889 CD ARG A 54 -9.948 18.384 8.396 1.00 0.00 C ATOM 890 NE ARG A 54 -11.202 18.954 8.900 1.00 0.00 N ATOM 891 CZ ARG A 54 -11.722 20.130 8.512 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.165 20.850 7.541 1.00 0.00 N ATOM 893 NH2 ARG A 54 -12.820 20.573 9.084 1.00 0.00 N ATOM 0 H ARG A 54 -8.609 14.639 9.536 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.535 14.526 6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.883 16.546 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.450 16.798 6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.821 16.621 7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.239 16.403 9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.141 18.629 9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.703 18.848 7.441 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.718 18.417 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.324 20.512 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.579 21.740 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.270 20.025 9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.221 21.465 8.795 1.00 0.00 H new ATOM 907 N THR A 55 -7.154 14.820 5.594 1.00 0.00 N ATOM 908 CA THR A 55 -5.938 14.529 4.822 1.00 0.00 C ATOM 909 C THR A 55 -5.133 15.814 4.643 1.00 0.00 C ATOM 910 O THR A 55 -5.623 16.912 4.956 1.00 0.00 O ATOM 911 CB THR A 55 -6.287 13.949 3.415 1.00 0.00 C ATOM 912 OG1 THR A 55 -7.113 14.884 2.703 1.00 0.00 O ATOM 913 CG2 THR A 55 -6.994 12.586 3.502 1.00 0.00 C ATOM 0 H THR A 55 -7.788 15.464 5.122 1.00 0.00 H new ATOM 0 HA THR A 55 -5.356 13.787 5.369 1.00 0.00 H new ATOM 0 HB THR A 55 -5.350 13.792 2.881 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.331 14.521 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.215 12.226 2.497 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.346 11.871 4.009 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.923 12.693 4.062 1.00 0.00 H new ATOM 921 N LEU A 56 -3.905 15.665 4.124 1.00 0.00 N ATOM 922 CA LEU A 56 -3.069 16.807 3.719 1.00 0.00 C ATOM 923 C LEU A 56 -3.837 17.650 2.671 1.00 0.00 C ATOM 924 O LEU A 56 -3.999 18.861 2.825 1.00 0.00 O ATOM 925 CB LEU A 56 -1.711 16.313 3.131 1.00 0.00 C ATOM 926 CG LEU A 56 -0.715 15.620 4.119 1.00 0.00 C ATOM 927 CD1 LEU A 56 0.528 15.070 3.368 1.00 0.00 C ATOM 928 CD2 LEU A 56 -0.284 16.589 5.253 1.00 0.00 C ATOM 0 H LEU A 56 -3.465 14.757 3.974 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.852 17.422 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.927 15.614 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.204 17.169 2.685 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.237 14.778 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.202 14.594 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.210 14.339 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.046 15.891 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.408 16.079 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.206 17.461 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.163 16.908 5.813 1.00 0.00 H new ATOM 940 N SER A 57 -4.390 16.940 1.667 1.00 0.00 N ATOM 941 CA SER A 57 -5.095 17.526 0.512 1.00 0.00 C ATOM 942 C SER A 57 -6.344 18.309 0.949 1.00 0.00 C ATOM 943 O SER A 57 -6.767 19.236 0.245 1.00 0.00 O ATOM 944 CB SER A 57 -5.505 16.403 -0.471 1.00 0.00 C ATOM 945 OG SER A 57 -6.188 16.911 -1.607 1.00 0.00 O ATOM 0 H SER A 57 -4.357 15.921 1.637 1.00 0.00 H new ATOM 0 HA SER A 57 -4.415 18.222 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.615 15.863 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.143 15.686 0.045 1.00 0.00 H new ATOM 0 HG SER A 57 -6.428 16.171 -2.203 1.00 0.00 H new ATOM 951 N ASP A 58 -6.926 17.923 2.113 1.00 0.00 N ATOM 952 CA ASP A 58 -8.095 18.611 2.698 1.00 0.00 C ATOM 953 C ASP A 58 -7.733 20.064 3.012 1.00 0.00 C ATOM 954 O ASP A 58 -8.476 20.998 2.694 1.00 0.00 O ATOM 955 CB ASP A 58 -8.553 17.888 3.999 1.00 0.00 C ATOM 956 CG ASP A 58 -9.718 18.596 4.728 1.00 0.00 C ATOM 957 OD1 ASP A 58 -9.475 19.589 5.459 1.00 0.00 O ATOM 958 OD2 ASP A 58 -10.879 18.163 4.581 1.00 0.00 O ATOM 0 H ASP A 58 -6.597 17.131 2.666 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.914 18.589 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.856 16.871 3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.704 17.811 4.679 1.00 0.00 H new ATOM 963 N TYR A 59 -6.551 20.224 3.625 1.00 0.00 N ATOM 964 CA TYR A 59 -6.033 21.518 4.062 1.00 0.00 C ATOM 965 C TYR A 59 -5.221 22.220 2.935 1.00 0.00 C ATOM 966 O TYR A 59 -4.471 23.167 3.213 1.00 0.00 O ATOM 967 CB TYR A 59 -5.165 21.306 5.324 1.00 0.00 C ATOM 968 CG TYR A 59 -5.965 21.037 6.592 1.00 0.00 C ATOM 969 CD1 TYR A 59 -6.684 22.066 7.197 1.00 0.00 C ATOM 970 CD2 TYR A 59 -5.982 19.782 7.206 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.383 21.866 8.360 1.00 0.00 C ATOM 972 CE2 TYR A 59 -6.689 19.578 8.368 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.387 20.629 8.943 1.00 0.00 C ATOM 974 OH TYR A 59 -8.076 20.439 10.122 1.00 0.00 O ATOM 0 H TYR A 59 -5.924 19.446 3.831 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.870 22.175 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.488 20.469 5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.546 22.190 5.479 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.691 23.044 6.739 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.434 18.963 6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.927 22.681 8.813 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.700 18.602 8.831 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.556 20.805 10.867 1.00 0.00 H new ATOM 984 N ASN A 60 -5.392 21.731 1.671 1.00 0.00 N ATOM 985 CA ASN A 60 -4.711 22.242 0.445 1.00 0.00 C ATOM 986 C ASN A 60 -3.208 21.885 0.417 1.00 0.00 C ATOM 987 O ASN A 60 -2.482 22.329 -0.477 1.00 0.00 O ATOM 988 CB ASN A 60 -4.920 23.779 0.246 1.00 0.00 C ATOM 989 CG ASN A 60 -6.387 24.167 0.044 1.00 0.00 C ATOM 990 OD1 ASN A 60 -6.861 24.305 -1.086 1.00 0.00 O ATOM 991 ND2 ASN A 60 -7.121 24.303 1.138 1.00 0.00 N ATOM 0 H ASN A 60 -6.022 20.953 1.474 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.186 21.734 -0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.527 24.308 1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.341 24.109 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.113 24.529 1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.695 24.182 2.057 1.00 0.00 H new ATOM 998 N ILE A 61 -2.764 21.047 1.374 1.00 0.00 N ATOM 999 CA ILE A 61 -1.358 20.617 1.481 1.00 0.00 C ATOM 1000 C ILE A 61 -1.086 19.530 0.430 1.00 0.00 C ATOM 1001 O ILE A 61 -1.831 18.546 0.328 1.00 0.00 O ATOM 1002 CB ILE A 61 -1.033 20.028 2.904 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.598 20.940 4.028 1.00 0.00 C ATOM 1004 CG2 ILE A 61 0.493 19.785 3.097 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -1.752 20.254 5.371 1.00 0.00 C ATOM 0 H ILE A 61 -3.369 20.650 2.093 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.727 21.491 1.318 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.527 19.059 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.940 21.801 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.570 21.322 3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.674 19.378 4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.847 19.078 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.028 20.728 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.152 20.962 6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.435 19.410 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.780 19.896 5.710 1.00 0.00 H new ATOM 1017 N GLN A 62 -0.023 19.718 -0.332 1.00 0.00 N ATOM 1018 CA GLN A 62 0.444 18.744 -1.321 1.00 0.00 C ATOM 1019 C GLN A 62 1.896 18.373 -0.995 1.00 0.00 C ATOM 1020 O GLN A 62 2.458 18.831 0.019 1.00 0.00 O ATOM 1021 CB GLN A 62 0.333 19.338 -2.756 1.00 0.00 C ATOM 1022 CG GLN A 62 1.173 20.620 -2.982 1.00 0.00 C ATOM 1023 CD GLN A 62 1.428 20.931 -4.456 1.00 0.00 C ATOM 1024 OE1 GLN A 62 0.642 21.613 -5.112 1.00 0.00 O ATOM 1025 NE2 GLN A 62 2.539 20.437 -4.982 1.00 0.00 N ATOM 0 H GLN A 62 0.552 20.559 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.176 17.848 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.646 18.581 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.713 19.562 -2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.660 21.466 -2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.130 20.512 -2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.169 19.875 -4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.765 20.618 -5.960 1.00 0.00 H new ATOM 1034 N LYS A 63 2.495 17.540 -1.852 1.00 0.00 N ATOM 1035 CA LYS A 63 3.922 17.211 -1.773 1.00 0.00 C ATOM 1036 C LYS A 63 4.778 18.482 -1.899 1.00 0.00 C ATOM 1037 O LYS A 63 4.406 19.424 -2.620 1.00 0.00 O ATOM 1038 CB LYS A 63 4.308 16.188 -2.862 1.00 0.00 C ATOM 1039 CG LYS A 63 4.116 16.680 -4.315 1.00 0.00 C ATOM 1040 CD LYS A 63 4.490 15.610 -5.363 1.00 0.00 C ATOM 1041 CE LYS A 63 5.968 15.197 -5.300 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.286 14.188 -6.335 1.00 0.00 N ATOM 0 H LYS A 63 2.006 17.076 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 63 4.114 16.762 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.352 15.909 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.715 15.285 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.077 16.976 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.726 17.569 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.866 14.729 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.268 15.992 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.600 16.075 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.194 14.793 -4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.315 14.040 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.815 13.291 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.952 14.523 -7.261 1.00 0.00 H new ATOM 1056 N GLU A 64 5.889 18.504 -1.142 1.00 0.00 N ATOM 1057 CA GLU A 64 6.862 19.601 -1.112 1.00 0.00 C ATOM 1058 C GLU A 64 6.279 20.883 -0.474 1.00 0.00 C ATOM 1059 O GLU A 64 6.882 21.948 -0.602 1.00 0.00 O ATOM 1060 CB GLU A 64 7.442 19.882 -2.537 1.00 0.00 C ATOM 1061 CG GLU A 64 8.068 18.653 -3.238 1.00 0.00 C ATOM 1062 CD GLU A 64 9.256 18.070 -2.460 1.00 0.00 C ATOM 1063 OE1 GLU A 64 10.378 18.597 -2.609 1.00 0.00 O ATOM 1064 OE2 GLU A 64 9.079 17.097 -1.693 1.00 0.00 O ATOM 0 H GLU A 64 6.138 17.736 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 64 7.685 19.280 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.644 20.275 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.199 20.662 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.306 17.883 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.398 18.938 -4.237 1.00 0.00 H new ATOM 1071 N SER A 65 5.109 20.783 0.209 1.00 0.00 N ATOM 1072 CA SER A 65 4.569 21.898 1.014 1.00 0.00 C ATOM 1073 C SER A 65 5.200 21.870 2.419 1.00 0.00 C ATOM 1074 O SER A 65 5.391 20.787 2.997 1.00 0.00 O ATOM 1075 CB SER A 65 3.029 21.803 1.112 1.00 0.00 C ATOM 1076 OG SER A 65 2.425 21.804 -0.173 1.00 0.00 O ATOM 0 H SER A 65 4.528 19.945 0.215 1.00 0.00 H new ATOM 0 HA SER A 65 4.819 22.841 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.753 20.893 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.648 22.641 1.695 1.00 0.00 H new ATOM 0 HG SER A 65 1.610 22.348 -0.151 1.00 0.00 H new ATOM 1082 N THR A 66 5.554 23.055 2.949 1.00 0.00 N ATOM 1083 CA THR A 66 6.108 23.186 4.303 1.00 0.00 C ATOM 1084 C THR A 66 5.008 23.623 5.287 1.00 0.00 C ATOM 1085 O THR A 66 4.302 24.614 5.059 1.00 0.00 O ATOM 1086 CB THR A 66 7.304 24.185 4.353 1.00 0.00 C ATOM 1087 OG1 THR A 66 8.312 23.779 3.411 1.00 0.00 O ATOM 1088 CG2 THR A 66 7.945 24.264 5.757 1.00 0.00 C ATOM 0 H THR A 66 5.464 23.941 2.452 1.00 0.00 H new ATOM 0 HA THR A 66 6.488 22.208 4.596 1.00 0.00 H new ATOM 0 HB THR A 66 6.910 25.170 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.062 24.409 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.773 24.973 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.199 24.595 6.479 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.316 23.280 6.044 1.00 0.00 H new ATOM 1096 N LEU A 67 4.888 22.851 6.366 1.00 0.00 N ATOM 1097 CA LEU A 67 3.977 23.098 7.484 1.00 0.00 C ATOM 1098 C LEU A 67 4.793 23.146 8.776 1.00 0.00 C ATOM 1099 O LEU A 67 6.001 22.903 8.765 1.00 0.00 O ATOM 1100 CB LEU A 67 2.845 22.021 7.563 1.00 0.00 C ATOM 1101 CG LEU A 67 3.248 20.509 7.445 1.00 0.00 C ATOM 1102 CD1 LEU A 67 2.140 19.595 8.007 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.566 20.096 5.980 1.00 0.00 C ATOM 0 H LEU A 67 5.443 22.004 6.491 1.00 0.00 H new ATOM 0 HA LEU A 67 3.476 24.054 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.325 22.154 8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.126 22.236 6.773 1.00 0.00 H new ATOM 0 HG LEU A 67 4.155 20.385 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.445 18.553 7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.972 19.830 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.218 19.755 7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.839 19.041 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.687 20.261 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.395 20.696 5.604 1.00 0.00 H new ATOM 1115 N HIS A 68 4.129 23.494 9.880 1.00 0.00 N ATOM 1116 CA HIS A 68 4.775 23.684 11.193 1.00 0.00 C ATOM 1117 C HIS A 68 4.399 22.554 12.158 1.00 0.00 C ATOM 1118 O HIS A 68 3.339 21.921 12.030 1.00 0.00 O ATOM 1119 CB HIS A 68 4.405 25.068 11.788 1.00 0.00 C ATOM 1120 CG HIS A 68 4.886 26.227 10.949 1.00 0.00 C ATOM 1121 ND1 HIS A 68 6.006 26.971 11.255 1.00 0.00 N ATOM 1122 CD2 HIS A 68 4.409 26.742 9.791 1.00 0.00 C ATOM 1123 CE1 HIS A 68 6.194 27.889 10.329 1.00 0.00 C ATOM 1124 NE2 HIS A 68 5.239 27.768 9.431 1.00 0.00 N ATOM 0 H HIS A 68 3.122 23.654 9.895 1.00 0.00 H new ATOM 0 HA HIS A 68 5.855 23.653 11.048 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.322 25.131 11.896 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.831 25.151 12.788 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.536 26.405 9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.993 28.615 10.310 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.134 28.348 8.598 1.00 0.00 H new ATOM 1133 N LEU A 69 5.291 22.337 13.131 1.00 0.00 N ATOM 1134 CA LEU A 69 5.196 21.271 14.120 1.00 0.00 C ATOM 1135 C LEU A 69 5.490 21.891 15.484 1.00 0.00 C ATOM 1136 O LEU A 69 6.525 22.544 15.668 1.00 0.00 O ATOM 1137 CB LEU A 69 6.222 20.151 13.757 1.00 0.00 C ATOM 1138 CG LEU A 69 6.068 18.736 14.426 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.466 18.740 15.909 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.643 18.171 14.221 1.00 0.00 C ATOM 0 H LEU A 69 6.121 22.918 13.251 1.00 0.00 H new ATOM 0 HA LEU A 69 4.206 20.816 14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.189 20.011 12.677 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.217 20.524 13.999 1.00 0.00 H new ATOM 0 HG LEU A 69 6.768 18.070 13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.341 17.739 16.322 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.508 19.045 16.005 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.832 19.439 16.454 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.568 17.192 14.695 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.915 18.848 14.669 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.440 18.074 13.154 1.00 0.00 H new ATOM 1152 N VAL A 70 4.569 21.687 16.426 1.00 0.00 N ATOM 1153 CA VAL A 70 4.678 22.206 17.785 1.00 0.00 C ATOM 1154 C VAL A 70 5.047 21.079 18.746 1.00 0.00 C ATOM 1155 O VAL A 70 4.284 20.126 18.927 1.00 0.00 O ATOM 1156 CB VAL A 70 3.352 22.895 18.246 1.00 0.00 C ATOM 1157 CG1 VAL A 70 3.465 23.396 19.713 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.974 24.039 17.265 1.00 0.00 C ATOM 0 H VAL A 70 3.717 21.150 16.263 1.00 0.00 H new ATOM 0 HA VAL A 70 5.464 22.961 17.793 1.00 0.00 H new ATOM 0 HB VAL A 70 2.547 22.160 18.225 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.529 23.871 20.008 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.667 22.551 20.371 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.278 24.118 19.789 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.049 24.511 17.596 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.773 24.780 17.245 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.834 23.629 16.265 1.00 0.00 H new ATOM 1168 N LEU A 71 6.229 21.215 19.333 1.00 0.00 N ATOM 1169 CA LEU A 71 6.767 20.290 20.323 1.00 0.00 C ATOM 1170 C LEU A 71 6.278 20.637 21.748 1.00 0.00 C ATOM 1171 O LEU A 71 6.039 21.808 22.068 1.00 0.00 O ATOM 1172 CB LEU A 71 8.305 20.338 20.231 1.00 0.00 C ATOM 1173 CG LEU A 71 8.923 19.748 18.923 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.456 19.908 18.904 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.520 18.263 18.742 1.00 0.00 C ATOM 0 H LEU A 71 6.857 21.992 19.128 1.00 0.00 H new ATOM 0 HA LEU A 71 6.413 19.280 20.115 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.624 21.376 20.326 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.719 19.798 21.083 1.00 0.00 H new ATOM 0 HG LEU A 71 8.521 20.314 18.083 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.854 19.487 17.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.712 20.966 18.961 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.887 19.384 19.757 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.963 17.875 17.824 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.879 17.682 19.592 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.434 18.185 18.682 1.00 0.00 H new ATOM 1187 N ARG A 72 6.117 19.586 22.579 1.00 0.00 N ATOM 1188 CA ARG A 72 5.689 19.699 23.994 1.00 0.00 C ATOM 1189 C ARG A 72 6.750 19.072 24.921 1.00 0.00 C ATOM 1190 O ARG A 72 7.075 19.640 25.959 1.00 0.00 O ATOM 1191 CB ARG A 72 4.318 18.991 24.209 1.00 0.00 C ATOM 1192 CG ARG A 72 3.118 19.625 23.459 1.00 0.00 C ATOM 1193 CD ARG A 72 1.818 18.804 23.627 1.00 0.00 C ATOM 1194 NE ARG A 72 1.378 18.706 25.042 1.00 0.00 N ATOM 1195 CZ ARG A 72 1.014 17.573 25.681 1.00 0.00 C ATOM 1196 NH1 ARG A 72 1.142 16.391 25.100 1.00 0.00 N ATOM 1197 NH2 ARG A 72 0.563 17.629 26.926 1.00 0.00 N ATOM 0 H ARG A 72 6.282 18.623 22.285 1.00 0.00 H new ATOM 0 HA ARG A 72 5.580 20.756 24.237 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.412 17.951 23.896 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.095 18.984 25.276 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.956 20.637 23.829 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.358 19.708 22.399 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.025 19.262 23.036 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.973 17.801 23.229 1.00 0.00 H new ATOM 0 HE ARG A 72 1.348 19.572 25.580 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.521 16.325 24.155 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.862 15.545 25.597 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.491 18.528 27.402 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.288 16.773 27.408 1.00 0.00 H new ATOM 1211 N LEU A 73 7.239 17.863 24.547 1.00 0.00 N ATOM 1212 CA LEU A 73 8.292 17.104 25.297 1.00 0.00 C ATOM 1213 C LEU A 73 7.953 16.922 26.797 1.00 0.00 C ATOM 1214 O LEU A 73 8.853 16.762 27.638 1.00 0.00 O ATOM 1215 CB LEU A 73 9.708 17.748 25.107 1.00 0.00 C ATOM 1216 CG LEU A 73 10.423 17.515 23.732 1.00 0.00 C ATOM 1217 CD1 LEU A 73 10.630 16.019 23.436 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.685 18.201 22.581 1.00 0.00 C ATOM 0 H LEU A 73 6.916 17.377 23.711 1.00 0.00 H new ATOM 0 HA LEU A 73 8.314 16.104 24.863 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.613 18.823 25.260 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.359 17.370 25.895 1.00 0.00 H new ATOM 0 HG LEU A 73 11.408 17.974 23.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.129 15.904 22.474 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.245 15.575 24.219 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.663 15.517 23.406 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.214 18.014 21.647 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.672 17.804 22.510 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.642 19.274 22.765 1.00 0.00 H new ATOM 1358 N LYS B 201 11.550 27.764 24.762 1.00 0.00 N ATOM 1359 CA LYS B 201 11.038 29.045 24.244 1.00 0.00 C ATOM 1360 C LYS B 201 10.850 28.872 22.734 1.00 0.00 C ATOM 1361 O LYS B 201 11.796 28.527 22.010 1.00 0.00 O ATOM 1362 CB LYS B 201 11.994 30.234 24.580 1.00 0.00 C ATOM 1363 CG LYS B 201 12.130 30.564 26.097 1.00 0.00 C ATOM 1364 CD LYS B 201 12.883 29.472 26.883 1.00 0.00 C ATOM 1365 CE LYS B 201 12.953 29.722 28.392 1.00 0.00 C ATOM 1366 NZ LYS B 201 13.601 28.578 29.083 1.00 0.00 N ATOM 0 HA LYS B 201 10.090 29.296 24.719 1.00 0.00 H new ATOM 0 HB2 LYS B 201 12.984 30.008 24.183 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.638 31.124 24.061 1.00 0.00 H new ATOM 0 HG2 LYS B 201 12.653 31.513 26.212 1.00 0.00 H new ATOM 0 HG3 LYS B 201 11.136 30.694 26.526 1.00 0.00 H new ATOM 0 HD2 LYS B 201 12.397 28.512 26.707 1.00 0.00 H new ATOM 0 HD3 LYS B 201 13.897 29.392 26.492 1.00 0.00 H new ATOM 0 HE2 LYS B 201 13.512 30.637 28.589 1.00 0.00 H new ATOM 0 HE3 LYS B 201 11.949 29.871 28.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 13.639 28.766 30.105 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 13.052 27.712 28.911 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 14.567 28.454 28.718 1.00 0.00 H new ATOM 1380 N VAL B 202 9.619 29.095 22.284 1.00 0.00 N ATOM 1381 CA VAL B 202 9.148 28.725 20.940 1.00 0.00 C ATOM 1382 C VAL B 202 8.197 29.810 20.405 1.00 0.00 C ATOM 1383 O VAL B 202 7.980 30.819 21.065 1.00 0.00 O ATOM 1384 CB VAL B 202 8.426 27.311 20.980 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.429 26.131 21.057 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.427 27.238 22.160 1.00 0.00 C ATOM 0 H VAL B 202 8.901 29.547 22.850 1.00 0.00 H new ATOM 0 HA VAL B 202 10.003 28.650 20.268 1.00 0.00 H new ATOM 0 HB VAL B 202 7.882 27.213 20.041 1.00 0.00 H new ATOM 0 HG11 VAL B 202 8.881 25.189 21.082 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.080 26.149 20.183 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.032 26.224 21.960 1.00 0.00 H new ATOM 0 HG21 VAL B 202 6.944 26.261 22.168 1.00 0.00 H new ATOM 0 HG22 VAL B 202 7.961 27.387 23.099 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.671 28.015 22.046 1.00 0.00 H new ATOM 1396 N ASP B 203 7.655 29.608 19.195 1.00 0.00 N ATOM 1397 CA ASP B 203 6.735 30.572 18.545 1.00 0.00 C ATOM 1398 C ASP B 203 5.373 29.932 18.300 1.00 0.00 C ATOM 1399 O ASP B 203 5.284 28.741 18.036 1.00 0.00 O ATOM 1400 CB ASP B 203 7.326 31.090 17.203 1.00 0.00 C ATOM 1401 CG ASP B 203 8.523 32.034 17.407 1.00 0.00 C ATOM 1402 OD1 ASP B 203 9.663 31.557 17.583 1.00 0.00 O ATOM 1403 OD2 ASP B 203 8.328 33.262 17.396 1.00 0.00 O ATOM 0 H ASP B 203 7.837 28.775 18.635 1.00 0.00 H new ATOM 0 HA ASP B 203 6.612 31.420 19.219 1.00 0.00 H new ATOM 0 HB2 ASP B 203 7.638 30.240 16.596 1.00 0.00 H new ATOM 0 HB3 ASP B 203 6.548 31.611 16.645 1.00 0.00 H new ATOM 1408 N CYS B 204 4.314 30.747 18.397 1.00 0.00 N ATOM 1409 CA CYS B 204 2.933 30.337 18.101 1.00 0.00 C ATOM 1410 C CYS B 204 2.717 30.438 16.581 1.00 0.00 C ATOM 1411 O CYS B 204 2.562 31.543 16.084 1.00 0.00 O ATOM 1412 CB CYS B 204 1.955 31.247 18.888 1.00 0.00 C ATOM 1413 SG CYS B 204 0.178 30.839 18.768 1.00 0.00 S ATOM 0 H CYS B 204 4.392 31.722 18.687 1.00 0.00 H new ATOM 0 HA CYS B 204 2.748 29.308 18.409 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.239 31.223 19.940 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.093 32.272 18.544 1.00 0.00 H new ATOM 0 HG CYS B 204 -0.499 31.607 19.569 1.00 0.00 H new ATOM 1418 N PRO B 205 2.729 29.292 15.809 1.00 0.00 N ATOM 1419 CA PRO B 205 2.740 29.309 14.309 1.00 0.00 C ATOM 1420 C PRO B 205 1.486 29.966 13.675 1.00 0.00 C ATOM 1421 O PRO B 205 1.448 30.196 12.461 1.00 0.00 O ATOM 1422 CB PRO B 205 2.851 27.800 13.938 1.00 0.00 C ATOM 1423 CG PRO B 205 2.293 27.084 15.126 1.00 0.00 C ATOM 1424 CD PRO B 205 2.727 27.895 16.323 1.00 0.00 C ATOM 0 HA PRO B 205 3.556 29.919 13.922 1.00 0.00 H new ATOM 0 HB2 PRO B 205 2.287 27.570 13.034 1.00 0.00 H new ATOM 0 HB3 PRO B 205 3.885 27.512 13.750 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.207 27.017 15.070 1.00 0.00 H new ATOM 0 HG3 PRO B 205 2.673 26.064 15.184 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.039 27.776 17.160 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.714 27.595 16.676 1.00 0.00 H new ATOM 1432 N VAL B 206 0.471 30.251 14.512 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.767 30.911 14.082 1.00 0.00 C ATOM 1434 C VAL B 206 -0.591 32.448 14.076 1.00 0.00 C ATOM 1435 O VAL B 206 -0.607 33.072 13.012 1.00 0.00 O ATOM 1436 CB VAL B 206 -1.978 30.524 15.014 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.313 31.057 14.432 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -2.027 28.991 15.272 1.00 0.00 C ATOM 0 H VAL B 206 0.491 30.028 15.507 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.984 30.568 13.070 1.00 0.00 H new ATOM 0 HB VAL B 206 -1.828 31.003 15.982 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.135 30.778 15.092 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.266 32.143 14.350 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.478 30.625 13.445 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -2.873 28.758 15.918 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -2.139 28.466 14.323 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.103 28.674 15.756 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.379 33.045 15.278 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.344 34.527 15.447 1.00 0.00 C ATOM 1450 C CYS B 207 1.102 35.069 15.521 1.00 0.00 C ATOM 1451 O CYS B 207 1.303 36.272 15.709 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.172 34.962 16.686 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.438 34.545 18.300 1.00 0.00 S ATOM 0 H CYS B 207 -0.230 32.527 16.144 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.802 34.966 14.560 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.322 36.041 16.642 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.158 34.501 16.624 1.00 0.00 H new ATOM 0 HG CYS B 207 -0.262 33.259 18.377 1.00 0.00 H new ATOM 1458 N GLY B 208 2.090 34.163 15.374 1.00 0.00 N ATOM 1459 CA GLY B 208 3.515 34.518 15.218 1.00 0.00 C ATOM 1460 C GLY B 208 4.148 35.238 16.409 1.00 0.00 C ATOM 1461 O GLY B 208 4.957 36.152 16.216 1.00 0.00 O ATOM 0 H GLY B 208 1.920 33.157 15.360 1.00 0.00 H new ATOM 0 HA2 GLY B 208 4.080 33.606 15.025 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.620 35.150 14.336 1.00 0.00 H new ATOM 1465 N VAL B 209 3.788 34.828 17.639 1.00 0.00 N ATOM 1466 CA VAL B 209 4.322 35.436 18.885 1.00 0.00 C ATOM 1467 C VAL B 209 5.229 34.436 19.627 1.00 0.00 C ATOM 1468 O VAL B 209 4.876 33.255 19.765 1.00 0.00 O ATOM 1469 CB VAL B 209 3.164 35.952 19.833 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.310 37.021 19.113 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.273 34.797 20.364 1.00 0.00 C ATOM 0 H VAL B 209 3.124 34.072 17.803 1.00 0.00 H new ATOM 0 HA VAL B 209 4.917 36.303 18.599 1.00 0.00 H new ATOM 0 HB VAL B 209 3.639 36.407 20.702 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.519 37.364 19.780 1.00 0.00 H new ATOM 0 HG12 VAL B 209 2.942 37.865 18.835 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.866 36.589 18.216 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.495 35.205 21.009 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.813 34.277 19.524 1.00 0.00 H new ATOM 0 HG23 VAL B 209 2.885 34.097 20.932 1.00 0.00 H new ATOM 1481 N ASN B 210 6.406 34.909 20.087 1.00 0.00 N ATOM 1482 CA ASN B 210 7.376 34.062 20.813 1.00 0.00 C ATOM 1483 C ASN B 210 7.011 34.006 22.312 1.00 0.00 C ATOM 1484 O ASN B 210 6.927 35.041 22.977 1.00 0.00 O ATOM 1485 CB ASN B 210 8.825 34.569 20.618 1.00 0.00 C ATOM 1486 CG ASN B 210 9.866 33.601 21.196 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.268 33.705 22.355 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.286 32.637 20.400 1.00 0.00 N ATOM 0 H ASN B 210 6.708 35.876 19.968 1.00 0.00 H new ATOM 0 HA ASN B 210 7.325 33.054 20.400 1.00 0.00 H new ATOM 0 HB2 ASN B 210 9.017 34.712 19.555 1.00 0.00 H new ATOM 0 HB3 ASN B 210 8.934 35.543 21.096 1.00 0.00 H new ATOM 0 HD21 ASN B 210 10.961 31.953 20.740 1.00 0.00 H new ATOM 0 HD22 ASN B 210 9.935 32.576 19.444 1.00 0.00 H new ATOM 1495 N ILE B 211 6.802 32.779 22.810 1.00 0.00 N ATOM 1496 CA ILE B 211 6.273 32.469 24.159 1.00 0.00 C ATOM 1497 C ILE B 211 6.867 31.113 24.652 1.00 0.00 C ATOM 1498 O ILE B 211 7.325 30.318 23.822 1.00 0.00 O ATOM 1499 CB ILE B 211 4.688 32.374 24.107 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.255 31.459 22.909 1.00 0.00 C ATOM 1501 CG2 ILE B 211 4.022 33.781 24.033 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.769 31.394 22.652 1.00 0.00 C ATOM 0 H ILE B 211 7.002 31.938 22.268 1.00 0.00 H new ATOM 0 HA ILE B 211 6.559 33.262 24.850 1.00 0.00 H new ATOM 0 HB ILE B 211 4.337 31.922 25.035 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.748 31.815 22.005 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.620 30.449 23.095 1.00 0.00 H new ATOM 0 HG21 ILE B 211 2.938 33.669 23.999 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.300 34.362 24.913 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.362 34.298 23.135 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.575 30.736 21.805 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.263 31.006 23.536 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.394 32.393 22.429 1.00 0.00 H new ATOM 1514 N PRO B 212 6.889 30.826 26.004 1.00 0.00 N ATOM 1515 CA PRO B 212 7.327 29.502 26.539 1.00 0.00 C ATOM 1516 C PRO B 212 6.428 28.326 26.053 1.00 0.00 C ATOM 1517 O PRO B 212 5.309 28.540 25.596 1.00 0.00 O ATOM 1518 CB PRO B 212 7.266 29.685 28.085 1.00 0.00 C ATOM 1519 CG PRO B 212 6.350 30.853 28.306 1.00 0.00 C ATOM 1520 CD PRO B 212 6.552 31.764 27.111 1.00 0.00 C ATOM 0 HA PRO B 212 8.322 29.230 26.187 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.885 28.788 28.573 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.256 29.877 28.498 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.312 30.528 28.380 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.590 31.368 29.236 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.653 32.338 26.889 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.354 32.482 27.286 1.00 0.00 H new ATOM 1528 N GLU B 213 6.955 27.096 26.193 1.00 0.00 N ATOM 1529 CA GLU B 213 6.396 25.847 25.612 1.00 0.00 C ATOM 1530 C GLU B 213 5.013 25.463 26.202 1.00 0.00 C ATOM 1531 O GLU B 213 4.132 24.952 25.491 1.00 0.00 O ATOM 1532 CB GLU B 213 7.449 24.727 25.826 1.00 0.00 C ATOM 1533 CG GLU B 213 7.171 23.370 25.156 1.00 0.00 C ATOM 1534 CD GLU B 213 8.309 22.361 25.410 1.00 0.00 C ATOM 1535 OE1 GLU B 213 8.635 22.113 26.599 1.00 0.00 O ATOM 1536 OE2 GLU B 213 8.889 21.817 24.442 1.00 0.00 O ATOM 0 H GLU B 213 7.807 26.932 26.729 1.00 0.00 H new ATOM 0 HA GLU B 213 6.205 25.998 24.549 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.410 25.092 25.465 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.553 24.560 26.898 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.233 22.963 25.535 1.00 0.00 H new ATOM 0 HG3 GLU B 213 7.046 23.514 24.083 1.00 0.00 H new ATOM 1543 N SER B 214 4.819 25.715 27.501 1.00 0.00 N ATOM 1544 CA SER B 214 3.509 25.504 28.155 1.00 0.00 C ATOM 1545 C SER B 214 2.480 26.545 27.634 1.00 0.00 C ATOM 1546 O SER B 214 1.303 26.218 27.385 1.00 0.00 O ATOM 1547 CB SER B 214 3.666 25.579 29.689 1.00 0.00 C ATOM 1548 OG SER B 214 2.444 25.309 30.361 1.00 0.00 O ATOM 0 H SER B 214 5.546 26.065 28.125 1.00 0.00 H new ATOM 0 HA SER B 214 3.134 24.511 27.906 1.00 0.00 H new ATOM 0 HB2 SER B 214 4.423 24.864 30.012 1.00 0.00 H new ATOM 0 HB3 SER B 214 4.023 26.570 29.969 1.00 0.00 H new ATOM 0 HG SER B 214 2.584 25.364 31.329 1.00 0.00 H new ATOM 1554 N HIS B 215 2.964 27.787 27.418 1.00 0.00 N ATOM 1555 CA HIS B 215 2.134 28.906 26.934 1.00 0.00 C ATOM 1556 C HIS B 215 1.850 28.777 25.428 1.00 0.00 C ATOM 1557 O HIS B 215 0.867 29.343 24.933 1.00 0.00 O ATOM 1558 CB HIS B 215 2.826 30.257 27.250 1.00 0.00 C ATOM 1559 CG HIS B 215 1.971 31.491 27.052 1.00 0.00 C ATOM 1560 ND1 HIS B 215 2.495 32.759 26.970 1.00 0.00 N ATOM 1561 CD2 HIS B 215 0.623 31.647 26.968 1.00 0.00 C ATOM 1562 CE1 HIS B 215 1.516 33.632 26.842 1.00 0.00 C ATOM 1563 NE2 HIS B 215 0.371 32.981 26.837 1.00 0.00 N ATOM 0 H HIS B 215 3.940 28.040 27.575 1.00 0.00 H new ATOM 0 HA HIS B 215 1.176 28.873 27.454 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.169 30.236 28.285 1.00 0.00 H new ATOM 0 HB3 HIS B 215 3.713 30.346 26.622 1.00 0.00 H new ATOM 0 HD2 HIS B 215 -0.114 30.858 26.999 1.00 0.00 H new ATOM 0 HE1 HIS B 215 1.633 34.702 26.756 1.00 0.00 H new ATOM 0 HE2 HIS B 215 -0.553 33.405 26.750 1.00 0.00 H new ATOM 1572 N ILE B 216 2.716 28.045 24.697 1.00 0.00 N ATOM 1573 CA ILE B 216 2.535 27.826 23.255 1.00 0.00 C ATOM 1574 C ILE B 216 1.345 26.884 23.060 1.00 0.00 C ATOM 1575 O ILE B 216 0.483 27.165 22.233 1.00 0.00 O ATOM 1576 CB ILE B 216 3.868 27.323 22.526 1.00 0.00 C ATOM 1577 CG1 ILE B 216 3.981 27.875 21.060 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.028 25.776 22.505 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.049 27.239 20.050 1.00 0.00 C ATOM 0 H ILE B 216 3.546 27.597 25.086 1.00 0.00 H new ATOM 0 HA ILE B 216 2.318 28.778 22.770 1.00 0.00 H new ATOM 0 HB ILE B 216 4.679 27.728 23.131 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.790 28.948 21.079 1.00 0.00 H new ATOM 0 HG13 ILE B 216 5.007 27.739 20.717 1.00 0.00 H new ATOM 0 HG21 ILE B 216 4.954 25.513 21.994 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.058 25.399 23.527 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.184 25.330 21.978 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.209 27.692 19.072 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.251 26.169 19.992 1.00 0.00 H new ATOM 0 HD13 ILE B 216 2.016 27.397 20.359 1.00 0.00 H new ATOM 1591 N ASN B 217 1.274 25.821 23.898 1.00 0.00 N ATOM 1592 CA ASN B 217 0.148 24.872 23.910 1.00 0.00 C ATOM 1593 C ASN B 217 -1.182 25.621 24.127 1.00 0.00 C ATOM 1594 O ASN B 217 -2.101 25.502 23.305 1.00 0.00 O ATOM 1595 CB ASN B 217 0.372 23.798 25.010 1.00 0.00 C ATOM 1596 CG ASN B 217 -0.780 22.780 25.170 1.00 0.00 C ATOM 1597 OD1 ASN B 217 -1.033 22.286 26.269 1.00 0.00 O ATOM 1598 ND2 ASN B 217 -1.470 22.435 24.094 1.00 0.00 N ATOM 0 H ASN B 217 1.999 25.603 24.582 1.00 0.00 H new ATOM 0 HA ASN B 217 0.095 24.368 22.945 1.00 0.00 H new ATOM 0 HB2 ASN B 217 1.289 23.254 24.785 1.00 0.00 H new ATOM 0 HB3 ASN B 217 0.527 24.303 25.964 1.00 0.00 H new ATOM 0 HD21 ASN B 217 -2.223 21.751 24.169 1.00 0.00 H new ATOM 0 HD22 ASN B 217 -1.249 22.853 23.190 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.223 26.440 25.204 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.388 27.281 25.552 1.00 0.00 C ATOM 1607 C LYS B 218 -2.817 28.185 24.373 1.00 0.00 C ATOM 1608 O LYS B 218 -4.015 28.258 24.016 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.037 28.149 26.795 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.082 29.237 27.144 1.00 0.00 C ATOM 1611 CD LYS B 218 -2.704 30.071 28.392 1.00 0.00 C ATOM 1612 CE LYS B 218 -3.689 31.225 28.644 1.00 0.00 C ATOM 1613 NZ LYS B 218 -5.084 30.746 28.837 1.00 0.00 N ATOM 0 H LYS B 218 -0.445 26.535 25.857 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.229 26.626 25.779 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.916 27.492 27.656 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.075 28.631 26.624 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.199 29.905 26.291 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -4.049 28.762 27.312 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -2.678 29.421 29.266 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -1.700 30.475 28.266 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -3.374 31.783 29.526 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -3.658 31.916 27.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -5.695 31.549 29.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -5.427 30.311 27.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -5.107 30.042 29.602 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.809 28.852 23.771 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.023 29.811 22.679 1.00 0.00 C ATOM 1629 C HIS B 219 -2.613 29.125 21.461 1.00 0.00 C ATOM 1630 O HIS B 219 -3.402 29.733 20.775 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.711 30.574 22.285 1.00 0.00 C ATOM 1632 CG HIS B 219 -0.773 32.069 22.518 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -0.860 32.991 21.483 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -0.751 32.744 23.698 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -0.889 34.177 22.072 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -0.825 34.074 23.405 1.00 0.00 N ATOM 0 H HIS B 219 -0.829 28.738 24.031 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.733 30.550 23.050 1.00 0.00 H new ATOM 0 HB2 HIS B 219 0.122 30.162 22.855 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.498 30.389 21.232 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -0.687 32.308 24.684 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -0.956 35.115 21.540 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -0.831 34.844 24.074 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.220 27.869 21.202 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.720 27.114 20.047 1.00 0.00 C ATOM 1646 C LEU B 220 -4.202 26.864 20.169 1.00 0.00 C ATOM 1647 O LEU B 220 -4.943 27.198 19.269 1.00 0.00 O ATOM 1648 CB LEU B 220 -1.990 25.772 19.879 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.477 25.872 19.601 1.00 0.00 C ATOM 1650 CD1 LEU B 220 0.119 24.490 19.355 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.171 26.869 18.457 1.00 0.00 C ATOM 0 H LEU B 220 -1.555 27.355 21.780 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.526 27.724 19.165 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -2.138 25.182 20.783 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -2.457 25.224 19.061 1.00 0.00 H new ATOM 0 HG LEU B 220 0.008 26.276 20.490 1.00 0.00 H new ATOM 0 HD11 LEU B 220 1.187 24.584 19.161 1.00 0.00 H new ATOM 0 HD12 LEU B 220 -0.037 23.865 20.234 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.367 24.032 18.494 1.00 0.00 H new ATOM 0 HD21 LEU B 220 0.905 26.912 18.290 1.00 0.00 H new ATOM 0 HD22 LEU B 220 -0.667 26.539 17.544 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.536 27.859 18.730 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.605 26.317 21.319 1.00 0.00 N ATOM 1664 CA ASP B 221 -6.001 25.930 21.591 1.00 0.00 C ATOM 1665 C ASP B 221 -6.959 27.128 21.461 1.00 0.00 C ATOM 1666 O ASP B 221 -8.129 26.964 21.105 1.00 0.00 O ATOM 1667 CB ASP B 221 -6.103 25.277 22.992 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.430 23.890 23.053 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.021 22.915 22.561 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.306 23.766 23.570 1.00 0.00 O ATOM 0 H ASP B 221 -3.971 26.127 22.095 1.00 0.00 H new ATOM 0 HA ASP B 221 -6.306 25.200 20.842 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.640 25.934 23.729 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -7.153 25.179 23.267 1.00 0.00 H new ATOM 1675 N SER B 222 -6.433 28.329 21.742 1.00 0.00 N ATOM 1676 CA SER B 222 -7.162 29.593 21.568 1.00 0.00 C ATOM 1677 C SER B 222 -7.108 30.064 20.094 1.00 0.00 C ATOM 1678 O SER B 222 -8.119 30.477 19.520 1.00 0.00 O ATOM 1679 CB SER B 222 -6.544 30.651 22.504 1.00 0.00 C ATOM 1680 OG SER B 222 -7.209 31.898 22.394 1.00 0.00 O ATOM 0 H SER B 222 -5.485 28.451 22.098 1.00 0.00 H new ATOM 0 HA SER B 222 -8.212 29.446 21.823 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.596 30.300 23.535 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.489 30.778 22.263 1.00 0.00 H new ATOM 0 HG SER B 222 -6.793 32.545 23.001 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.912 29.959 19.495 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.589 30.540 18.176 1.00 0.00 C ATOM 1688 C CYS B 223 -6.066 29.668 16.986 1.00 0.00 C ATOM 1689 O CYS B 223 -6.192 30.178 15.874 1.00 0.00 O ATOM 1690 CB CYS B 223 -4.066 30.821 18.089 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.518 32.229 19.126 1.00 0.00 S ATOM 0 H CYS B 223 -5.128 29.461 19.917 1.00 0.00 H new ATOM 0 HA CYS B 223 -6.140 31.477 18.092 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.522 29.926 18.390 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.801 31.021 17.051 1.00 0.00 H new ATOM 0 HG CYS B 223 -3.217 31.800 20.316 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.343 28.359 17.213 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.740 27.419 16.126 1.00 0.00 C ATOM 1698 C LEU B 224 -8.253 27.511 15.834 1.00 0.00 C ATOM 1699 O LEU B 224 -8.772 26.760 14.994 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.274 25.950 16.450 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.821 25.242 17.757 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -8.271 24.712 17.624 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.872 24.104 18.206 1.00 0.00 C ATOM 0 H LEU B 224 -6.300 27.928 18.136 1.00 0.00 H new ATOM 0 HA LEU B 224 -6.227 27.717 15.211 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.543 25.324 15.599 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -5.186 25.956 16.510 1.00 0.00 H new ATOM 0 HG LEU B 224 -6.849 26.018 18.522 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -8.573 24.241 18.559 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.943 25.541 17.402 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -8.318 23.980 16.817 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -6.269 23.633 19.105 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -5.793 23.361 17.412 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.885 24.515 18.417 1.00 0.00 H new