USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 666 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 50 TYR OH : rot -136:sc= 0.445 USER MOD Set 1.2: B 31 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: B 50 TYR OH : rot -134:sc= 0.444 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -127:sc= -1.72 (180deg=-2.04) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -1.28 (180deg=-2.06!) USER MOD Single : A 26 THR OG1 : rot 81:sc= 0.354 USER MOD Single : A 29 LYS NZ :NH3+ 173:sc=-0.00997 (180deg=-0.0785) USER MOD Single : A 32 CYS SG : rot -102:sc= -4.9! USER MOD Single : A 34 LYS NZ :NH3+ -105:sc= -0.569 (180deg=-2.6!) USER MOD Single : A 35 ASN : amide:sc=-0.00242 X(o=-0.0024,f=-0.038) USER MOD Single : A 36 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00182 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.02 F(o=-2.1!,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.011 (180deg=-0.141) USER MOD Single : A 52 GLN : amide:sc= -0.848 K(o=-0.85,f=-6.8!) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -103:sc= -1.68 (180deg=-2.02) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ -158:sc= -1.21 (180deg=-2.04!) USER MOD Single : B 26 THR OG1 : rot 81:sc= 0.399 USER MOD Single : B 29 LYS NZ :NH3+ 173:sc=-0.00909 (180deg=-0.0974) USER MOD Single : B 32 CYS SG : rot -102:sc= -4.93! USER MOD Single : B 34 LYS NZ :NH3+ -109:sc= -0.507 (180deg=-2.51!) USER MOD Single : B 35 ASN : amide:sc= 0.0114 X(o=0.011,f=-0.036) USER MOD Single : B 36 ASN : amide:sc= -0.0349 K(o=-0.035,f=-1.3!) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : B 41 GLN :FLIP amide:sc= -1.06 F(o=-2.1!,f=-1.1) USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= -0.0123 (180deg=-0.18) USER MOD Single : B 52 GLN : amide:sc= -0.885 K(o=-0.89,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 14 -8.140 6.715 8.819 1.00 0.00 N ATOM 63 CA ALA A 14 -8.204 5.503 9.605 1.00 0.00 C ATOM 64 C ALA A 14 -6.793 5.067 9.948 1.00 0.00 C ATOM 65 O ALA A 14 -5.830 5.635 9.445 1.00 0.00 O ATOM 66 CB ALA A 14 -8.920 4.414 8.825 1.00 0.00 C ATOM 0 HA ALA A 14 -8.761 5.687 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.963 3.505 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.932 4.741 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.379 4.213 7.900 1.00 0.00 H new ATOM 72 N VAL A 15 -6.660 4.067 10.795 1.00 0.00 N ATOM 73 CA VAL A 15 -5.343 3.571 11.150 1.00 0.00 C ATOM 74 C VAL A 15 -5.158 2.189 10.562 1.00 0.00 C ATOM 75 O VAL A 15 -6.135 1.503 10.254 1.00 0.00 O ATOM 76 CB VAL A 15 -5.129 3.490 12.672 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.648 3.547 13.019 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.898 4.582 13.390 1.00 0.00 C ATOM 0 H VAL A 15 -7.437 3.585 11.247 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.614 4.275 10.749 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.516 2.530 13.013 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.525 3.488 14.100 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.132 2.710 12.549 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.225 4.484 12.656 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.728 4.501 14.464 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.557 5.557 13.042 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.962 4.475 13.182 1.00 0.00 H new ATOM 88 N PHE A 16 -3.918 1.783 10.416 1.00 0.00 N ATOM 89 CA PHE A 16 -3.607 0.499 9.831 1.00 0.00 C ATOM 90 C PHE A 16 -2.294 -0.015 10.392 1.00 0.00 C ATOM 91 O PHE A 16 -1.258 0.626 10.240 1.00 0.00 O ATOM 92 CB PHE A 16 -3.524 0.632 8.313 1.00 0.00 C ATOM 93 CG PHE A 16 -3.769 -0.652 7.581 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.858 -1.446 7.904 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.919 -1.065 6.568 1.00 0.00 C ATOM 96 CE1 PHE A 16 -5.097 -2.625 7.230 1.00 0.00 C ATOM 97 CE2 PHE A 16 -3.155 -2.244 5.891 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.244 -3.024 6.223 1.00 0.00 C ATOM 0 H PHE A 16 -3.103 2.328 10.697 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.394 -0.213 10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.252 1.373 7.982 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.538 1.011 8.044 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.528 -1.138 8.693 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.064 -0.459 6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.950 -3.234 7.490 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.488 -2.556 5.101 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.428 -3.947 5.694 1.00 0.00 H new ATOM 108 N GLY A 17 -2.356 -1.155 11.060 1.00 0.00 N ATOM 109 CA GLY A 17 -1.173 -1.734 11.662 1.00 0.00 C ATOM 110 C GLY A 17 -0.960 -3.156 11.204 1.00 0.00 C ATOM 111 O GLY A 17 -1.560 -4.085 11.749 1.00 0.00 O ATOM 0 H GLY A 17 -3.211 -1.694 11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.301 -1.133 11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.267 -1.710 12.748 1.00 0.00 H new ATOM 115 N ILE A 18 -0.118 -3.332 10.201 1.00 0.00 N ATOM 116 CA ILE A 18 0.076 -4.637 9.594 1.00 0.00 C ATOM 117 C ILE A 18 1.533 -5.064 9.624 1.00 0.00 C ATOM 118 O ILE A 18 2.424 -4.259 9.900 1.00 0.00 O ATOM 119 CB ILE A 18 -0.414 -4.643 8.138 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.276 -3.539 7.326 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.917 -4.462 8.114 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.044 -3.646 5.838 1.00 0.00 C ATOM 0 H ILE A 18 0.443 -2.586 9.789 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.509 -5.344 10.182 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.160 -5.599 7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.081 -2.569 7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.348 -3.572 7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.268 -4.466 7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.390 -5.277 8.661 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.177 -3.512 8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.562 -2.833 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.427 -4.601 5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.024 -3.582 5.631 1.00 0.00 H new ATOM 134 N TYR A 19 1.762 -6.339 9.345 1.00 0.00 N ATOM 135 CA TYR A 19 3.111 -6.868 9.251 1.00 0.00 C ATOM 136 C TYR A 19 3.469 -7.132 7.793 1.00 0.00 C ATOM 137 O TYR A 19 3.142 -8.185 7.240 1.00 0.00 O ATOM 138 CB TYR A 19 3.260 -8.162 10.055 1.00 0.00 C ATOM 139 CG TYR A 19 3.008 -8.013 11.536 1.00 0.00 C ATOM 140 CD1 TYR A 19 3.850 -7.253 12.338 1.00 0.00 C ATOM 141 CD2 TYR A 19 1.936 -8.659 12.141 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.631 -7.142 13.695 1.00 0.00 C ATOM 143 CE2 TYR A 19 1.710 -8.546 13.498 1.00 0.00 C ATOM 144 CZ TYR A 19 2.560 -7.786 14.270 1.00 0.00 C ATOM 145 OH TYR A 19 2.345 -7.671 15.625 1.00 0.00 O ATOM 0 H TYR A 19 1.027 -7.027 9.180 1.00 0.00 H new ATOM 0 HA TYR A 19 3.790 -6.124 9.668 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.570 -8.905 9.655 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.267 -8.552 9.908 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.690 -6.741 11.892 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.269 -9.259 11.540 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.298 -6.551 14.305 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.870 -9.051 13.952 1.00 0.00 H new ATOM 0 HH TYR A 19 1.548 -8.184 15.874 1.00 0.00 H new ATOM 155 N MET A 20 4.134 -6.171 7.182 1.00 0.00 N ATOM 156 CA MET A 20 4.519 -6.266 5.778 1.00 0.00 C ATOM 157 C MET A 20 6.019 -6.496 5.664 1.00 0.00 C ATOM 158 O MET A 20 6.756 -6.218 6.611 1.00 0.00 O ATOM 159 CB MET A 20 4.113 -4.988 5.026 1.00 0.00 C ATOM 160 CG MET A 20 4.793 -3.724 5.539 1.00 0.00 C ATOM 161 SD MET A 20 4.062 -2.214 4.868 1.00 0.00 S ATOM 162 CE MET A 20 4.434 -2.384 3.125 1.00 0.00 C ATOM 0 H MET A 20 4.424 -5.305 7.637 1.00 0.00 H new ATOM 0 HA MET A 20 4.000 -7.111 5.326 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.348 -5.111 3.969 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.033 -4.863 5.100 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.731 -3.700 6.627 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.851 -3.756 5.280 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.939 -1.485 2.771 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.082 -3.248 2.974 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.508 -2.523 2.567 1.00 0.00 H new ATOM 172 N ASP A 21 6.474 -7.006 4.521 1.00 0.00 N ATOM 173 CA ASP A 21 7.897 -7.267 4.319 1.00 0.00 C ATOM 174 C ASP A 21 8.720 -6.001 4.502 1.00 0.00 C ATOM 175 O ASP A 21 8.229 -4.884 4.305 1.00 0.00 O ATOM 176 CB ASP A 21 8.198 -7.844 2.934 1.00 0.00 C ATOM 177 CG ASP A 21 8.198 -9.359 2.893 1.00 0.00 C ATOM 178 OD1 ASP A 21 7.128 -9.962 2.681 1.00 0.00 O ATOM 179 OD2 ASP A 21 9.291 -9.951 3.039 1.00 0.00 O ATOM 0 H ASP A 21 5.882 -7.245 3.726 1.00 0.00 H new ATOM 0 HA ASP A 21 8.172 -8.005 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.459 -7.470 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.170 -7.480 2.602 1.00 0.00 H new ATOM 184 N LYS A 22 9.982 -6.180 4.837 1.00 0.00 N ATOM 185 CA LYS A 22 10.860 -5.062 5.093 1.00 0.00 C ATOM 186 C LYS A 22 11.348 -4.482 3.786 1.00 0.00 C ATOM 187 O LYS A 22 11.058 -3.342 3.473 1.00 0.00 O ATOM 188 CB LYS A 22 12.054 -5.499 5.939 1.00 0.00 C ATOM 189 CG LYS A 22 13.070 -4.393 6.142 1.00 0.00 C ATOM 190 CD LYS A 22 14.251 -4.858 6.979 1.00 0.00 C ATOM 191 CE LYS A 22 15.184 -3.704 7.306 1.00 0.00 C ATOM 192 NZ LYS A 22 16.383 -4.152 8.060 1.00 0.00 N ATOM 0 H LYS A 22 10.422 -7.095 4.938 1.00 0.00 H new ATOM 0 HA LYS A 22 10.302 -4.303 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.698 -5.841 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.540 -6.349 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.426 -4.044 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.591 -3.544 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.889 -5.309 7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.800 -5.631 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.498 -3.219 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.646 -2.958 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.992 -3.333 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.086 -4.592 8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.911 -4.845 7.492 1.00 0.00 H new ATOM 206 N ASP A 23 12.051 -5.307 3.022 1.00 0.00 N ATOM 207 CA ASP A 23 12.672 -4.899 1.759 1.00 0.00 C ATOM 208 C ASP A 23 11.709 -4.105 0.878 1.00 0.00 C ATOM 209 O ASP A 23 12.094 -3.138 0.227 1.00 0.00 O ATOM 210 CB ASP A 23 13.152 -6.143 1.008 1.00 0.00 C ATOM 211 CG ASP A 23 13.764 -5.827 -0.341 1.00 0.00 C ATOM 212 OD1 ASP A 23 14.987 -5.581 -0.398 1.00 0.00 O ATOM 213 OD2 ASP A 23 13.024 -5.845 -1.347 1.00 0.00 O ATOM 0 H ASP A 23 12.210 -6.286 3.259 1.00 0.00 H new ATOM 0 HA ASP A 23 13.515 -4.248 1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.887 -6.667 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.311 -6.822 0.868 1.00 0.00 H new ATOM 218 N LEU A 24 10.450 -4.511 0.892 1.00 0.00 N ATOM 219 CA LEU A 24 9.414 -3.889 0.090 1.00 0.00 C ATOM 220 C LEU A 24 8.968 -2.555 0.711 1.00 0.00 C ATOM 221 O LEU A 24 8.971 -1.522 0.040 1.00 0.00 O ATOM 222 CB LEU A 24 8.272 -4.908 -0.041 1.00 0.00 C ATOM 223 CG LEU A 24 6.922 -4.437 -0.581 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.071 -3.968 0.578 1.00 0.00 C ATOM 225 CD2 LEU A 24 7.076 -3.344 -1.634 1.00 0.00 C ATOM 0 H LEU A 24 10.118 -5.287 1.465 1.00 0.00 H new ATOM 0 HA LEU A 24 9.778 -3.633 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.622 -5.714 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.100 -5.340 0.945 1.00 0.00 H new ATOM 0 HG LEU A 24 6.432 -5.273 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.104 -3.629 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.922 -4.791 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.572 -3.145 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.091 -3.040 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.585 -2.485 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.662 -3.725 -2.470 1.00 0.00 H new ATOM 237 N LYS A 25 8.594 -2.576 1.987 1.00 0.00 N ATOM 238 CA LYS A 25 8.208 -1.357 2.687 1.00 0.00 C ATOM 239 C LYS A 25 9.378 -0.377 2.691 1.00 0.00 C ATOM 240 O LYS A 25 9.202 0.839 2.635 1.00 0.00 O ATOM 241 CB LYS A 25 7.820 -1.692 4.125 1.00 0.00 C ATOM 242 CG LYS A 25 7.160 -0.546 4.865 1.00 0.00 C ATOM 243 CD LYS A 25 6.973 -0.871 6.337 1.00 0.00 C ATOM 244 CE LYS A 25 8.195 -0.502 7.170 1.00 0.00 C ATOM 245 NZ LYS A 25 9.403 -1.287 6.797 1.00 0.00 N ATOM 0 H LYS A 25 8.550 -3.422 2.555 1.00 0.00 H new ATOM 0 HA LYS A 25 7.357 -0.904 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.143 -2.546 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.713 -1.998 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.768 0.353 4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.192 -0.328 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.102 -0.337 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.768 -1.936 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.405 0.561 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.973 -0.664 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.110 -1.217 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.140 -2.284 6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.804 -0.909 5.915 1.00 0.00 H new ATOM 259 N THR A 26 10.570 -0.943 2.747 1.00 0.00 N ATOM 260 CA THR A 26 11.808 -0.183 2.788 1.00 0.00 C ATOM 261 C THR A 26 12.138 0.387 1.409 1.00 0.00 C ATOM 262 O THR A 26 12.667 1.491 1.289 1.00 0.00 O ATOM 263 CB THR A 26 12.968 -1.062 3.319 1.00 0.00 C ATOM 264 OG1 THR A 26 12.739 -1.369 4.701 1.00 0.00 O ATOM 265 CG2 THR A 26 14.318 -0.372 3.169 1.00 0.00 C ATOM 0 H THR A 26 10.708 -1.953 2.766 1.00 0.00 H new ATOM 0 HA THR A 26 11.676 0.654 3.474 1.00 0.00 H new ATOM 0 HB THR A 26 12.993 -1.976 2.726 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.110 -2.117 4.770 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.104 -1.022 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.504 -0.162 2.116 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.313 0.562 3.730 1.00 0.00 H new ATOM 273 N ARG A 27 11.802 -0.365 0.375 1.00 0.00 N ATOM 274 CA ARG A 27 11.903 0.120 -0.993 1.00 0.00 C ATOM 275 C ARG A 27 11.084 1.401 -1.149 1.00 0.00 C ATOM 276 O ARG A 27 11.570 2.417 -1.646 1.00 0.00 O ATOM 277 CB ARG A 27 11.408 -0.970 -1.954 1.00 0.00 C ATOM 278 CG ARG A 27 10.965 -0.464 -3.312 1.00 0.00 C ATOM 279 CD ARG A 27 12.105 0.177 -4.092 1.00 0.00 C ATOM 280 NE ARG A 27 13.191 -0.766 -4.353 1.00 0.00 N ATOM 281 CZ ARG A 27 14.384 -0.416 -4.829 1.00 0.00 C ATOM 282 NH1 ARG A 27 14.649 0.853 -5.122 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.312 -1.344 -5.020 1.00 0.00 N ATOM 0 H ARG A 27 11.454 -1.320 0.457 1.00 0.00 H new ATOM 0 HA ARG A 27 12.942 0.350 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.205 -1.700 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.575 -1.495 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.554 -1.292 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.163 0.263 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.725 0.562 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.492 1.029 -3.533 1.00 0.00 H new ATOM 0 HE ARG A 27 13.024 -1.753 -4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.935 1.568 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.566 1.112 -5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.110 -2.320 -4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.228 -1.082 -5.384 1.00 0.00 H new ATOM 297 N LEU A 28 9.840 1.333 -0.709 1.00 0.00 N ATOM 298 CA LEU A 28 8.951 2.489 -0.696 1.00 0.00 C ATOM 299 C LEU A 28 9.498 3.588 0.221 1.00 0.00 C ATOM 300 O LEU A 28 9.335 4.774 -0.059 1.00 0.00 O ATOM 301 CB LEU A 28 7.567 2.027 -0.247 1.00 0.00 C ATOM 302 CG LEU A 28 6.415 3.020 -0.392 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.429 4.008 0.746 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.470 3.729 -1.733 1.00 0.00 C ATOM 0 H LEU A 28 9.415 0.478 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 28 8.883 2.917 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.312 1.130 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.632 1.737 0.802 1.00 0.00 H new ATOM 0 HG LEU A 28 5.477 2.466 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.603 4.709 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.323 3.476 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.372 4.555 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.638 4.430 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.411 4.272 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.400 2.995 -2.536 1.00 0.00 H new ATOM 316 N LYS A 29 10.143 3.192 1.312 1.00 0.00 N ATOM 317 CA LYS A 29 10.790 4.148 2.210 1.00 0.00 C ATOM 318 C LYS A 29 11.818 4.971 1.441 1.00 0.00 C ATOM 319 O LYS A 29 11.932 6.182 1.626 1.00 0.00 O ATOM 320 CB LYS A 29 11.432 3.405 3.394 1.00 0.00 C ATOM 321 CG LYS A 29 12.185 4.292 4.384 1.00 0.00 C ATOM 322 CD LYS A 29 13.613 4.561 3.932 1.00 0.00 C ATOM 323 CE LYS A 29 14.311 5.564 4.839 1.00 0.00 C ATOM 324 NZ LYS A 29 14.373 5.101 6.251 1.00 0.00 N ATOM 0 H LYS A 29 10.233 2.217 1.598 1.00 0.00 H new ATOM 0 HA LYS A 29 10.044 4.834 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.651 2.868 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.122 2.657 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.656 5.238 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.198 3.813 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.174 3.627 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.606 4.938 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.322 5.740 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.785 6.518 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.958 5.758 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.413 5.072 6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.792 4.150 6.286 1.00 0.00 H new ATOM 338 N VAL A 30 12.545 4.304 0.559 1.00 0.00 N ATOM 339 CA VAL A 30 13.531 4.958 -0.283 1.00 0.00 C ATOM 340 C VAL A 30 12.858 5.888 -1.275 1.00 0.00 C ATOM 341 O VAL A 30 13.385 6.943 -1.631 1.00 0.00 O ATOM 342 CB VAL A 30 14.374 3.915 -1.026 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.387 4.573 -1.947 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.049 3.008 -0.018 1.00 0.00 C ATOM 0 H VAL A 30 12.468 3.298 0.408 1.00 0.00 H new ATOM 0 HA VAL A 30 14.186 5.550 0.356 1.00 0.00 H new ATOM 0 HB VAL A 30 13.719 3.316 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.967 3.805 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.866 5.184 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.056 5.203 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.650 2.265 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.692 3.601 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.292 2.504 0.583 1.00 0.00 H new ATOM 354 N TYR A 31 11.682 5.491 -1.701 1.00 0.00 N ATOM 355 CA TYR A 31 10.869 6.301 -2.577 1.00 0.00 C ATOM 356 C TYR A 31 10.433 7.568 -1.853 1.00 0.00 C ATOM 357 O TYR A 31 10.416 8.660 -2.433 1.00 0.00 O ATOM 358 CB TYR A 31 9.656 5.493 -3.026 1.00 0.00 C ATOM 359 CG TYR A 31 8.684 6.275 -3.859 1.00 0.00 C ATOM 360 CD1 TYR A 31 9.000 6.643 -5.151 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.454 6.656 -3.348 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.119 7.366 -5.917 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.564 7.380 -4.106 1.00 0.00 C ATOM 364 CZ TYR A 31 6.900 7.736 -5.392 1.00 0.00 C ATOM 365 OH TYR A 31 6.015 8.462 -6.156 1.00 0.00 O ATOM 0 H TYR A 31 11.262 4.596 -1.450 1.00 0.00 H new ATOM 0 HA TYR A 31 11.447 6.590 -3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.997 4.629 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.140 5.110 -2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.955 6.358 -5.566 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.190 6.380 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.381 7.644 -6.927 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.608 7.667 -3.695 1.00 0.00 H new ATOM 0 HH TYR A 31 6.139 8.238 -7.102 1.00 0.00 H new ATOM 375 N CYS A 32 10.111 7.416 -0.575 1.00 0.00 N ATOM 376 CA CYS A 32 9.687 8.543 0.247 1.00 0.00 C ATOM 377 C CYS A 32 10.871 9.427 0.609 1.00 0.00 C ATOM 378 O CYS A 32 10.710 10.603 0.906 1.00 0.00 O ATOM 379 CB CYS A 32 8.997 8.045 1.515 1.00 0.00 C ATOM 380 SG CYS A 32 7.548 7.024 1.194 1.00 0.00 S ATOM 0 H CYS A 32 10.135 6.522 -0.084 1.00 0.00 H new ATOM 0 HA CYS A 32 8.979 9.137 -0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.711 7.472 2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.700 8.903 2.118 1.00 0.00 H new ATOM 0 HG CYS A 32 6.471 7.729 1.378 1.00 0.00 H new ATOM 386 N ALA A 33 12.059 8.860 0.570 1.00 0.00 N ATOM 387 CA ALA A 33 13.267 9.620 0.829 1.00 0.00 C ATOM 388 C ALA A 33 13.688 10.381 -0.423 1.00 0.00 C ATOM 389 O ALA A 33 14.138 11.524 -0.356 1.00 0.00 O ATOM 390 CB ALA A 33 14.371 8.687 1.294 1.00 0.00 C ATOM 0 H ALA A 33 12.215 7.874 0.361 1.00 0.00 H new ATOM 0 HA ALA A 33 13.073 10.347 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.276 9.262 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.060 8.182 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.571 7.946 0.520 1.00 0.00 H new ATOM 396 N LYS A 34 13.510 9.735 -1.567 1.00 0.00 N ATOM 397 CA LYS A 34 13.893 10.303 -2.848 1.00 0.00 C ATOM 398 C LYS A 34 12.972 11.447 -3.241 1.00 0.00 C ATOM 399 O LYS A 34 13.425 12.493 -3.702 1.00 0.00 O ATOM 400 CB LYS A 34 13.873 9.212 -3.927 1.00 0.00 C ATOM 401 CG LYS A 34 14.349 9.687 -5.288 1.00 0.00 C ATOM 402 CD LYS A 34 14.131 8.642 -6.384 1.00 0.00 C ATOM 403 CE LYS A 34 15.097 7.466 -6.278 1.00 0.00 C ATOM 404 NZ LYS A 34 14.711 6.491 -5.221 1.00 0.00 N ATOM 0 H LYS A 34 13.097 8.805 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 34 14.903 10.703 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.500 8.382 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.858 8.826 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.822 10.603 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.409 9.934 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.107 8.272 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.247 9.115 -7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.143 6.953 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.098 7.843 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.339 6.602 -4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.728 6.665 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.796 5.524 -5.593 1.00 0.00 H new ATOM 418 N ASN A 35 11.683 11.252 -3.046 1.00 0.00 N ATOM 419 CA ASN A 35 10.707 12.268 -3.402 1.00 0.00 C ATOM 420 C ASN A 35 10.379 13.125 -2.200 1.00 0.00 C ATOM 421 O ASN A 35 9.571 14.048 -2.285 1.00 0.00 O ATOM 422 CB ASN A 35 9.430 11.624 -3.932 1.00 0.00 C ATOM 423 CG ASN A 35 9.637 10.935 -5.265 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.434 11.527 -6.322 1.00 0.00 O ATOM 425 ND2 ASN A 35 10.052 9.679 -5.223 1.00 0.00 N ATOM 0 H ASN A 35 11.286 10.403 -2.644 1.00 0.00 H new ATOM 0 HA ASN A 35 11.139 12.894 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.064 10.899 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.659 12.387 -4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.215 9.167 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.209 9.224 -4.324 1.00 0.00 H new ATOM 432 N ASN A 36 11.029 12.815 -1.079 1.00 0.00 N ATOM 433 CA ASN A 36 10.726 13.462 0.200 1.00 0.00 C ATOM 434 C ASN A 36 9.245 13.313 0.563 1.00 0.00 C ATOM 435 O ASN A 36 8.691 14.122 1.311 1.00 0.00 O ATOM 436 CB ASN A 36 11.117 14.939 0.160 1.00 0.00 C ATOM 437 CG ASN A 36 12.614 15.144 0.241 1.00 0.00 C ATOM 438 OD1 ASN A 36 13.329 14.350 0.854 1.00 0.00 O ATOM 439 ND2 ASN A 36 13.100 16.211 -0.373 1.00 0.00 N ATOM 0 H ASN A 36 11.772 12.118 -1.029 1.00 0.00 H new ATOM 0 HA ASN A 36 11.313 12.964 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.741 15.386 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.637 15.461 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.102 16.401 -0.349 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.473 16.844 -0.870 1.00 0.00 H new ATOM 446 N LEU A 37 8.616 12.268 0.028 1.00 0.00 N ATOM 447 CA LEU A 37 7.211 11.984 0.285 1.00 0.00 C ATOM 448 C LEU A 37 7.003 11.416 1.680 1.00 0.00 C ATOM 449 O LEU A 37 7.954 11.019 2.359 1.00 0.00 O ATOM 450 CB LEU A 37 6.690 10.984 -0.748 1.00 0.00 C ATOM 451 CG LEU A 37 5.737 11.556 -1.799 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.375 12.716 -2.545 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.317 10.464 -2.768 1.00 0.00 C ATOM 0 H LEU A 37 9.067 11.597 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 37 6.662 12.923 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.544 10.540 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.180 10.177 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 37 4.852 11.936 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.674 13.102 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.629 13.507 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.280 12.373 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.639 10.880 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.199 10.060 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.812 9.667 -2.222 1.00 0.00 H new ATOM 465 N GLN A 38 5.748 11.394 2.100 1.00 0.00 N ATOM 466 CA GLN A 38 5.376 10.778 3.358 1.00 0.00 C ATOM 467 C GLN A 38 5.173 9.287 3.155 1.00 0.00 C ATOM 468 O GLN A 38 4.534 8.883 2.183 1.00 0.00 O ATOM 469 CB GLN A 38 4.092 11.393 3.907 1.00 0.00 C ATOM 470 CG GLN A 38 4.206 12.874 4.195 1.00 0.00 C ATOM 471 CD GLN A 38 2.895 13.474 4.665 1.00 0.00 C ATOM 472 OE1 GLN A 38 2.610 13.508 5.861 1.00 0.00 O ATOM 473 NE2 GLN A 38 2.085 13.945 3.730 1.00 0.00 N ATOM 0 H GLN A 38 4.968 11.799 1.583 1.00 0.00 H new ATOM 0 HA GLN A 38 6.179 10.950 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.286 11.231 3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.813 10.873 4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.970 13.036 4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.538 13.392 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.358 13.898 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.188 14.355 3.991 1.00 0.00 H new ATOM 482 N LEU A 39 5.721 8.485 4.058 1.00 0.00 N ATOM 483 CA LEU A 39 5.564 7.031 4.005 1.00 0.00 C ATOM 484 C LEU A 39 4.097 6.650 3.800 1.00 0.00 C ATOM 485 O LEU A 39 3.759 5.880 2.901 1.00 0.00 O ATOM 486 CB LEU A 39 6.083 6.393 5.299 1.00 0.00 C ATOM 487 CG LEU A 39 7.073 5.232 5.126 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.591 4.253 4.069 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.460 5.747 4.777 1.00 0.00 C ATOM 0 H LEU A 39 6.283 8.816 4.842 1.00 0.00 H new ATOM 0 HA LEU A 39 6.145 6.659 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.563 7.168 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.228 6.033 5.872 1.00 0.00 H new ATOM 0 HG LEU A 39 7.131 4.704 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.312 3.442 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.625 3.845 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.490 4.769 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.142 4.905 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.415 6.310 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.819 6.396 5.576 1.00 0.00 H new ATOM 501 N THR A 40 3.234 7.225 4.623 1.00 0.00 N ATOM 502 CA THR A 40 1.812 6.939 4.571 1.00 0.00 C ATOM 503 C THR A 40 1.209 7.367 3.240 1.00 0.00 C ATOM 504 O THR A 40 0.499 6.591 2.599 1.00 0.00 O ATOM 505 CB THR A 40 1.078 7.652 5.715 1.00 0.00 C ATOM 506 OG1 THR A 40 1.780 7.438 6.949 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.354 7.157 5.844 1.00 0.00 C ATOM 0 H THR A 40 3.499 7.899 5.341 1.00 0.00 H new ATOM 0 HA THR A 40 1.691 5.861 4.677 1.00 0.00 H new ATOM 0 HB THR A 40 1.049 8.718 5.489 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.310 7.896 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.848 7.681 6.663 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.890 7.349 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.352 6.086 6.047 1.00 0.00 H new ATOM 515 N GLN A 41 1.509 8.597 2.828 1.00 0.00 N ATOM 516 CA GLN A 41 1.017 9.127 1.564 1.00 0.00 C ATOM 517 C GLN A 41 1.369 8.180 0.424 1.00 0.00 C ATOM 518 O GLN A 41 0.557 7.931 -0.467 1.00 0.00 O ATOM 519 CB GLN A 41 1.635 10.500 1.303 1.00 0.00 C ATOM 520 CG GLN A 41 0.992 11.258 0.152 1.00 0.00 C ATOM 521 CD GLN A 41 1.773 12.501 -0.218 1.00 0.00 C ATOM 522 OE1 GLN A 41 2.669 12.370 -1.184 1.00 0.00 O flip ATOM 523 NE2 GLN A 41 1.565 13.574 0.347 1.00 0.00 N flip ATOM 0 H GLN A 41 2.093 9.246 3.356 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.067 9.224 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.557 11.101 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.698 10.375 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.920 10.604 -0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.025 11.538 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.866 13.634 1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.092 14.404 0.075 1.00 0.00 H new ATOM 532 N ALA A 42 2.578 7.641 0.477 1.00 0.00 N ATOM 533 CA ALA A 42 3.062 6.729 -0.545 1.00 0.00 C ATOM 534 C ALA A 42 2.273 5.432 -0.539 1.00 0.00 C ATOM 535 O ALA A 42 1.873 4.947 -1.590 1.00 0.00 O ATOM 536 CB ALA A 42 4.528 6.447 -0.336 1.00 0.00 C ATOM 0 H ALA A 42 3.247 7.823 1.226 1.00 0.00 H new ATOM 0 HA ALA A 42 2.925 7.204 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.880 5.762 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.090 7.379 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.675 5.995 0.645 1.00 0.00 H new ATOM 542 N ILE A 43 2.053 4.872 0.649 1.00 0.00 N ATOM 543 CA ILE A 43 1.241 3.665 0.781 1.00 0.00 C ATOM 544 C ILE A 43 -0.145 3.888 0.199 1.00 0.00 C ATOM 545 O ILE A 43 -0.647 3.066 -0.559 1.00 0.00 O ATOM 546 CB ILE A 43 1.104 3.209 2.260 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.187 2.194 2.626 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.277 2.630 2.524 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.583 2.764 2.611 1.00 0.00 C ATOM 0 H ILE A 43 2.423 5.232 1.529 1.00 0.00 H new ATOM 0 HA ILE A 43 1.755 2.879 0.228 1.00 0.00 H new ATOM 0 HB ILE A 43 1.235 4.088 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.978 1.795 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.138 1.357 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.348 2.318 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.034 3.387 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.441 1.769 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.297 1.986 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.813 3.137 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.650 3.582 3.329 1.00 0.00 H new ATOM 561 N GLU A 44 -0.748 5.007 0.560 1.00 0.00 N ATOM 562 CA GLU A 44 -2.102 5.326 0.129 1.00 0.00 C ATOM 563 C GLU A 44 -2.180 5.449 -1.386 1.00 0.00 C ATOM 564 O GLU A 44 -3.097 4.922 -2.011 1.00 0.00 O ATOM 565 CB GLU A 44 -2.576 6.620 0.784 1.00 0.00 C ATOM 566 CG GLU A 44 -2.621 6.557 2.297 1.00 0.00 C ATOM 567 CD GLU A 44 -3.055 7.864 2.920 1.00 0.00 C ATOM 568 OE1 GLU A 44 -4.271 8.067 3.088 1.00 0.00 O ATOM 569 OE2 GLU A 44 -2.180 8.692 3.250 1.00 0.00 O ATOM 0 H GLU A 44 -0.319 5.716 1.155 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.755 4.510 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.915 7.432 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.570 6.863 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.306 5.767 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.635 6.288 2.675 1.00 0.00 H new ATOM 576 N GLU A 45 -1.218 6.140 -1.972 1.00 0.00 N ATOM 577 CA GLU A 45 -1.151 6.261 -3.418 1.00 0.00 C ATOM 578 C GLU A 45 -0.810 4.913 -4.038 1.00 0.00 C ATOM 579 O GLU A 45 -1.254 4.599 -5.145 1.00 0.00 O ATOM 580 CB GLU A 45 -0.126 7.317 -3.828 1.00 0.00 C ATOM 581 CG GLU A 45 -0.456 8.710 -3.311 1.00 0.00 C ATOM 582 CD GLU A 45 -1.801 9.217 -3.785 1.00 0.00 C ATOM 583 OE1 GLU A 45 -2.835 8.824 -3.204 1.00 0.00 O ATOM 584 OE2 GLU A 45 -1.832 10.029 -4.734 1.00 0.00 O ATOM 0 H GLU A 45 -0.474 6.625 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.126 6.580 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.856 7.023 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.061 7.347 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.442 8.699 -2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.321 9.404 -3.633 1.00 0.00 H new ATOM 591 N ALA A 46 -0.047 4.111 -3.299 1.00 0.00 N ATOM 592 CA ALA A 46 0.311 2.775 -3.740 1.00 0.00 C ATOM 593 C ALA A 46 -0.919 1.898 -3.828 1.00 0.00 C ATOM 594 O ALA A 46 -1.236 1.347 -4.878 1.00 0.00 O ATOM 595 CB ALA A 46 1.324 2.155 -2.786 1.00 0.00 C ATOM 0 H ALA A 46 0.334 4.369 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 46 0.759 2.850 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.582 1.154 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.222 2.772 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.893 2.095 -1.786 1.00 0.00 H new ATOM 601 N ILE A 47 -1.615 1.794 -2.710 1.00 0.00 N ATOM 602 CA ILE A 47 -2.785 0.968 -2.605 1.00 0.00 C ATOM 603 C ILE A 47 -3.907 1.492 -3.503 1.00 0.00 C ATOM 604 O ILE A 47 -4.713 0.720 -4.022 1.00 0.00 O ATOM 605 CB ILE A 47 -3.227 0.877 -1.127 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.402 -0.072 -0.961 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.571 2.245 -0.570 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.766 -0.304 0.485 1.00 0.00 C ATOM 0 H ILE A 47 -1.376 2.287 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.545 -0.037 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.384 0.480 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.266 0.331 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.161 -1.027 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.878 2.147 0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.697 2.893 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.386 2.679 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.611 -0.990 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.914 -0.735 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.036 0.645 0.949 1.00 0.00 H new ATOM 620 N LYS A 48 -3.925 2.801 -3.720 1.00 0.00 N ATOM 621 CA LYS A 48 -4.911 3.421 -4.591 1.00 0.00 C ATOM 622 C LYS A 48 -4.712 2.989 -6.037 1.00 0.00 C ATOM 623 O LYS A 48 -5.616 2.431 -6.660 1.00 0.00 O ATOM 624 CB LYS A 48 -4.818 4.946 -4.496 1.00 0.00 C ATOM 625 CG LYS A 48 -5.663 5.702 -5.524 1.00 0.00 C ATOM 626 CD LYS A 48 -7.156 5.422 -5.395 1.00 0.00 C ATOM 627 CE LYS A 48 -7.713 5.899 -4.063 1.00 0.00 C ATOM 628 NZ LYS A 48 -7.620 7.376 -3.917 1.00 0.00 N ATOM 0 H LYS A 48 -3.264 3.455 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.898 3.096 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.125 5.254 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.775 5.241 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.489 6.772 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.334 5.429 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.689 5.915 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.334 4.352 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.755 5.591 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.168 5.419 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.186 7.680 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.627 7.649 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.982 7.833 -4.778 1.00 0.00 H new ATOM 642 N GLU A 49 -3.521 3.239 -6.567 1.00 0.00 N ATOM 643 CA GLU A 49 -3.232 2.905 -7.955 1.00 0.00 C ATOM 644 C GLU A 49 -3.175 1.398 -8.146 1.00 0.00 C ATOM 645 O GLU A 49 -3.173 0.908 -9.274 1.00 0.00 O ATOM 646 CB GLU A 49 -1.916 3.560 -8.425 1.00 0.00 C ATOM 647 CG GLU A 49 -2.065 4.997 -8.948 1.00 0.00 C ATOM 648 CD GLU A 49 -0.773 5.782 -8.912 1.00 0.00 C ATOM 649 OE1 GLU A 49 0.165 5.436 -9.665 1.00 0.00 O ATOM 650 OE2 GLU A 49 -0.704 6.781 -8.165 1.00 0.00 O ATOM 0 H GLU A 49 -2.746 3.668 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.042 3.301 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.210 3.561 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.481 2.945 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.436 4.967 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.815 5.517 -8.353 1.00 0.00 H new ATOM 657 N TYR A 50 -3.162 0.673 -7.040 1.00 0.00 N ATOM 658 CA TYR A 50 -3.178 -0.766 -7.069 1.00 0.00 C ATOM 659 C TYR A 50 -4.580 -1.272 -7.381 1.00 0.00 C ATOM 660 O TYR A 50 -4.761 -2.144 -8.230 1.00 0.00 O ATOM 661 CB TYR A 50 -2.690 -1.302 -5.733 1.00 0.00 C ATOM 662 CG TYR A 50 -2.848 -2.787 -5.555 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.049 -3.675 -6.251 1.00 0.00 C ATOM 664 CD2 TYR A 50 -3.786 -3.291 -4.669 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.179 -5.036 -6.073 1.00 0.00 C ATOM 666 CE2 TYR A 50 -3.926 -4.653 -4.481 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.120 -5.522 -5.187 1.00 0.00 C ATOM 668 OH TYR A 50 -3.253 -6.881 -5.009 1.00 0.00 O ATOM 0 H TYR A 50 -3.140 1.072 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.512 -1.122 -7.855 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.637 -1.046 -5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.231 -0.795 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.312 -3.297 -6.944 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.417 -2.610 -4.117 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.548 -5.718 -6.624 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.661 -5.034 -3.787 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.204 -7.117 -4.989 1.00 0.00 H new ATOM 678 N LEU A 51 -5.570 -0.703 -6.703 1.00 0.00 N ATOM 679 CA LEU A 51 -6.963 -1.046 -6.958 1.00 0.00 C ATOM 680 C LEU A 51 -7.362 -0.704 -8.382 1.00 0.00 C ATOM 681 O LEU A 51 -8.096 -1.446 -9.028 1.00 0.00 O ATOM 682 CB LEU A 51 -7.897 -0.327 -5.986 1.00 0.00 C ATOM 683 CG LEU A 51 -8.201 -1.070 -4.683 1.00 0.00 C ATOM 684 CD1 LEU A 51 -7.811 -2.538 -4.778 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.513 -0.390 -3.510 1.00 0.00 C ATOM 0 H LEU A 51 -5.434 -0.003 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.058 -2.122 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.458 0.639 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.839 -0.127 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.277 -1.032 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.040 -3.037 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.370 -3.012 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.743 -2.618 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.740 -0.931 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.435 -0.387 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.870 0.636 -3.424 1.00 0.00 H new ATOM 697 N GLN A 52 -6.864 0.413 -8.874 1.00 0.00 N ATOM 698 CA GLN A 52 -7.207 0.866 -10.214 1.00 0.00 C ATOM 699 C GLN A 52 -6.469 0.047 -11.268 1.00 0.00 C ATOM 700 O GLN A 52 -6.949 -0.123 -12.390 1.00 0.00 O ATOM 701 CB GLN A 52 -6.889 2.355 -10.374 1.00 0.00 C ATOM 702 CG GLN A 52 -8.063 3.300 -10.100 1.00 0.00 C ATOM 703 CD GLN A 52 -8.560 3.301 -8.660 1.00 0.00 C ATOM 704 OE1 GLN A 52 -8.553 2.287 -7.969 1.00 0.00 O ATOM 705 NE2 GLN A 52 -8.995 4.457 -8.194 1.00 0.00 N ATOM 0 H GLN A 52 -6.222 1.025 -8.370 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.278 0.722 -10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.071 2.611 -9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.532 2.528 -11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.765 4.314 -10.367 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.891 3.028 -10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.989 5.283 -8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.337 4.524 -7.236 1.00 0.00 H new ATOM 844 N ALA B 14 8.165 -6.727 8.827 1.00 0.00 N ATOM 845 CA ALA B 14 8.225 -5.524 9.627 1.00 0.00 C ATOM 846 C ALA B 14 6.812 -5.091 9.964 1.00 0.00 C ATOM 847 O ALA B 14 5.852 -5.654 9.445 1.00 0.00 O ATOM 848 CB ALA B 14 8.948 -4.431 8.860 1.00 0.00 C ATOM 0 HA ALA B 14 8.774 -5.715 10.549 1.00 0.00 H new ATOM 0 HB1 ALA B 14 8.990 -3.527 9.468 1.00 0.00 H new ATOM 0 HB2 ALA B 14 9.961 -4.759 8.627 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.413 -4.221 7.934 1.00 0.00 H new ATOM 854 N VAL B 15 6.672 -4.098 10.818 1.00 0.00 N ATOM 855 CA VAL B 15 5.354 -3.603 11.166 1.00 0.00 C ATOM 856 C VAL B 15 5.173 -2.218 10.585 1.00 0.00 C ATOM 857 O VAL B 15 6.152 -1.529 10.285 1.00 0.00 O ATOM 858 CB VAL B 15 5.130 -3.533 12.687 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.647 -3.594 13.023 1.00 0.00 C ATOM 860 CG2 VAL B 15 5.897 -4.632 13.402 1.00 0.00 C ATOM 0 H VAL B 15 7.446 -3.621 11.281 1.00 0.00 H new ATOM 0 HA VAL B 15 4.627 -4.303 10.754 1.00 0.00 H new ATOM 0 HB VAL B 15 5.514 -2.575 13.038 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.516 -3.543 14.104 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.133 -2.754 12.555 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.228 -4.529 12.651 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.721 -4.559 14.475 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.559 -5.604 13.044 1.00 0.00 H new ATOM 0 HG23 VAL B 15 6.963 -4.522 13.201 1.00 0.00 H new ATOM 870 N PHE B 16 3.933 -1.809 10.436 1.00 0.00 N ATOM 871 CA PHE B 16 3.630 -0.520 9.860 1.00 0.00 C ATOM 872 C PHE B 16 2.316 -0.008 10.419 1.00 0.00 C ATOM 873 O PHE B 16 1.280 -0.650 10.257 1.00 0.00 O ATOM 874 CB PHE B 16 3.558 -0.642 8.341 1.00 0.00 C ATOM 875 CG PHE B 16 3.806 0.650 7.622 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.895 1.439 7.958 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.965 1.071 6.606 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.138 2.624 7.294 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.207 2.254 5.937 1.00 0.00 C ATOM 880 CZ PHE B 16 4.293 3.032 6.284 1.00 0.00 C ATOM 0 H PHE B 16 3.115 -2.354 10.708 1.00 0.00 H new ATOM 0 HA PHE B 16 4.417 0.190 10.115 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.289 -1.379 8.009 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.575 -1.021 8.062 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.560 1.123 8.748 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.111 0.468 6.334 1.00 0.00 H new ATOM 0 HE1 PHE B 16 5.989 3.231 7.565 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.547 2.571 5.143 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.481 3.960 5.764 1.00 0.00 H new ATOM 890 N GLY B 17 2.375 1.126 11.098 1.00 0.00 N ATOM 891 CA GLY B 17 1.188 1.703 11.694 1.00 0.00 C ATOM 892 C GLY B 17 0.977 3.130 11.240 1.00 0.00 C ATOM 893 O GLY B 17 1.573 4.060 11.787 1.00 0.00 O ATOM 0 H GLY B 17 3.230 1.661 11.248 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.318 1.103 11.428 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.275 1.675 12.780 1.00 0.00 H new ATOM 897 N ILE B 18 0.137 3.307 10.234 1.00 0.00 N ATOM 898 CA ILE B 18 -0.057 4.615 9.631 1.00 0.00 C ATOM 899 C ILE B 18 -1.515 5.040 9.654 1.00 0.00 C ATOM 900 O ILE B 18 -2.408 4.231 9.915 1.00 0.00 O ATOM 901 CB ILE B 18 0.442 4.631 8.179 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.243 3.536 7.353 1.00 0.00 C ATOM 903 CG2 ILE B 18 1.945 4.445 8.160 1.00 0.00 C ATOM 904 CD1 ILE B 18 0.005 3.656 5.869 1.00 0.00 C ATOM 0 H ILE B 18 -0.421 2.562 9.818 1.00 0.00 H new ATOM 0 HA ILE B 18 0.523 5.320 10.227 1.00 0.00 H new ATOM 0 HB ILE B 18 0.192 5.593 7.731 1.00 0.00 H new ATOM 0 HG12 ILE B 18 0.108 2.562 7.694 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.317 3.571 7.538 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.300 4.456 7.129 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.419 5.254 8.716 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.199 3.491 8.621 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.510 2.849 5.348 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.371 4.615 5.514 1.00 0.00 H new ATOM 0 HD13 ILE B 18 1.075 3.591 5.672 1.00 0.00 H new ATOM 916 N TYR B 19 -1.744 6.319 9.390 1.00 0.00 N ATOM 917 CA TYR B 19 -3.092 6.849 9.292 1.00 0.00 C ATOM 918 C TYR B 19 -3.437 7.125 7.835 1.00 0.00 C ATOM 919 O TYR B 19 -3.105 8.179 7.299 1.00 0.00 O ATOM 920 CB TYR B 19 -3.245 8.140 10.102 1.00 0.00 C ATOM 921 CG TYR B 19 -3.000 7.983 11.584 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.848 7.214 12.374 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.931 8.621 12.199 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.632 7.087 13.729 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.709 8.495 13.556 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.562 7.725 14.317 1.00 0.00 C ATOM 927 OH TYR B 19 -2.344 7.591 15.670 1.00 0.00 O ATOM 0 H TYR B 19 -1.008 7.009 9.240 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.774 6.103 9.700 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.553 8.885 9.709 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.252 8.531 9.952 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.688 6.709 11.919 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.262 9.226 11.606 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.301 6.488 14.329 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.872 8.997 14.018 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.548 8.103 15.925 1.00 0.00 H new ATOM 937 N MET B 20 -4.093 6.169 7.208 1.00 0.00 N ATOM 938 CA MET B 20 -4.464 6.277 5.800 1.00 0.00 C ATOM 939 C MET B 20 -5.964 6.508 5.675 1.00 0.00 C ATOM 940 O MET B 20 -6.709 6.224 6.614 1.00 0.00 O ATOM 941 CB MET B 20 -4.050 5.002 5.044 1.00 0.00 C ATOM 942 CG MET B 20 -4.736 3.735 5.539 1.00 0.00 C ATOM 943 SD MET B 20 -4.003 2.230 4.856 1.00 0.00 S ATOM 944 CE MET B 20 -4.361 2.412 3.111 1.00 0.00 C ATOM 0 H MET B 20 -4.385 5.298 7.652 1.00 0.00 H new ATOM 0 HA MET B 20 -3.942 7.126 5.358 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.272 5.132 3.985 1.00 0.00 H new ATOM 0 HB3 MET B 20 -2.971 4.875 5.130 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.681 3.699 6.627 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.793 3.772 5.274 1.00 0.00 H new ATOM 0 HE1 MET B 20 -5.197 1.767 2.842 1.00 0.00 H new ATOM 0 HE2 MET B 20 -4.620 3.449 2.899 1.00 0.00 H new ATOM 0 HE3 MET B 20 -3.484 2.131 2.528 1.00 0.00 H new ATOM 954 N ASP B 21 -6.411 7.025 4.531 1.00 0.00 N ATOM 955 CA ASP B 21 -7.832 7.288 4.322 1.00 0.00 C ATOM 956 C ASP B 21 -8.656 6.021 4.483 1.00 0.00 C ATOM 957 O ASP B 21 -8.162 4.905 4.281 1.00 0.00 O ATOM 958 CB ASP B 21 -8.118 7.880 2.940 1.00 0.00 C ATOM 959 CG ASP B 21 -8.108 9.395 2.916 1.00 0.00 C ATOM 960 OD1 ASP B 21 -7.030 9.998 2.749 1.00 0.00 O ATOM 961 OD2 ASP B 21 -9.202 9.992 3.035 1.00 0.00 O ATOM 0 H ASP B 21 -5.814 7.268 3.741 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.116 8.016 5.082 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.375 7.509 2.234 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.090 7.526 2.596 1.00 0.00 H new ATOM 966 N LYS B 22 -9.921 6.197 4.809 1.00 0.00 N ATOM 967 CA LYS B 22 -10.800 5.075 5.048 1.00 0.00 C ATOM 968 C LYS B 22 -11.276 4.506 3.732 1.00 0.00 C ATOM 969 O LYS B 22 -10.971 3.372 3.404 1.00 0.00 O ATOM 970 CB LYS B 22 -12.000 5.504 5.890 1.00 0.00 C ATOM 971 CG LYS B 22 -13.019 4.396 6.080 1.00 0.00 C ATOM 972 CD LYS B 22 -14.209 4.850 6.908 1.00 0.00 C ATOM 973 CE LYS B 22 -15.144 3.689 7.217 1.00 0.00 C ATOM 974 NZ LYS B 22 -16.346 4.131 7.970 1.00 0.00 N ATOM 0 H LYS B 22 -10.362 7.111 4.914 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.247 4.310 5.593 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -11.650 5.839 6.866 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.484 6.357 5.414 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.366 4.052 5.106 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -12.542 3.545 6.567 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -13.858 5.295 7.839 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -14.754 5.625 6.370 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -15.453 3.214 6.286 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -14.609 2.936 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -16.957 3.311 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -16.053 4.561 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -16.871 4.830 7.407 1.00 0.00 H new ATOM 988 N ASP B 23 -11.978 5.336 2.973 1.00 0.00 N ATOM 989 CA ASP B 23 -12.589 4.939 1.703 1.00 0.00 C ATOM 990 C ASP B 23 -11.619 4.153 0.821 1.00 0.00 C ATOM 991 O ASP B 23 -12.001 3.194 0.155 1.00 0.00 O ATOM 992 CB ASP B 23 -13.062 6.190 0.958 1.00 0.00 C ATOM 993 CG ASP B 23 -13.659 5.883 -0.402 1.00 0.00 C ATOM 994 OD1 ASP B 23 -14.879 5.617 -0.475 1.00 0.00 O ATOM 995 OD2 ASP B 23 -12.915 5.926 -1.405 1.00 0.00 O ATOM 0 H ASP B 23 -12.143 6.312 3.219 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.433 4.287 1.926 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.804 6.708 1.565 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.220 6.871 0.833 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.362 4.558 0.851 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.318 3.943 0.054 1.00 0.00 C ATOM 1002 C LEU B 24 -8.878 2.605 0.667 1.00 0.00 C ATOM 1003 O LEU B 24 -8.890 1.577 -0.012 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.175 4.966 -0.060 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.821 4.496 -0.593 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -5.978 4.020 0.568 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -6.965 3.410 -1.655 1.00 0.00 C ATOM 0 H LEU B 24 -10.035 5.329 1.434 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.672 3.694 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.520 5.777 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.011 5.391 0.930 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.328 5.335 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.009 3.682 0.200 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -5.833 4.839 1.272 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.483 3.195 1.070 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.977 3.108 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.478 2.548 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -7.543 3.796 -2.494 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.508 2.613 1.945 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.127 1.389 2.638 1.00 0.00 C ATOM 1021 C LYS B 25 -9.295 0.406 2.626 1.00 0.00 C ATOM 1022 O LYS B 25 -9.120 -0.808 2.563 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.754 1.712 4.082 1.00 0.00 C ATOM 1024 CG LYS B 25 -7.099 0.562 4.819 1.00 0.00 C ATOM 1025 CD LYS B 25 -6.929 0.875 6.295 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.158 0.491 7.113 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.366 1.277 6.741 1.00 0.00 N ATOM 0 H LYS B 25 -8.464 3.454 2.520 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.271 0.943 2.131 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.078 2.567 4.090 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.653 2.011 4.621 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.704 -0.338 4.704 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.126 0.351 4.376 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.059 0.343 6.679 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.731 1.940 6.418 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.364 -0.570 6.975 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.945 0.639 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.045 1.264 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.092 2.259 6.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.807 0.858 5.898 1.00 0.00 H new ATOM 1041 N THR B 26 -10.487 0.973 2.679 1.00 0.00 N ATOM 1042 CA THR B 26 -11.726 0.214 2.700 1.00 0.00 C ATOM 1043 C THR B 26 -12.044 -0.343 1.317 1.00 0.00 C ATOM 1044 O THR B 26 -12.571 -1.447 1.186 1.00 0.00 O ATOM 1045 CB THR B 26 -12.884 1.093 3.225 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.651 1.400 4.606 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.236 0.403 3.070 1.00 0.00 C ATOM 0 H THR B 26 -10.624 1.983 2.709 1.00 0.00 H new ATOM 0 HA THR B 26 -11.604 -0.631 3.378 1.00 0.00 H new ATOM 0 HB THR B 26 -12.913 2.008 2.633 1.00 0.00 H new ATOM 0 HG1 THR B 26 -12.021 2.148 4.673 1.00 0.00 H new ATOM 0 HG21 THR B 26 -15.023 1.054 3.451 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.418 0.192 2.016 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.234 -0.531 3.632 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.700 0.415 0.291 1.00 0.00 N ATOM 1056 CA ARG B 27 -11.794 -0.059 -1.083 1.00 0.00 C ATOM 1057 C ARG B 27 -10.974 -1.340 -1.246 1.00 0.00 C ATOM 1058 O ARG B 27 -11.457 -2.350 -1.759 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.293 1.037 -2.031 1.00 0.00 C ATOM 1060 CG ARG B 27 -10.836 0.543 -3.390 1.00 0.00 C ATOM 1061 CD ARG B 27 -11.968 -0.095 -4.186 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.054 0.847 -4.452 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.245 0.498 -4.937 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -14.514 -0.766 -5.241 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.173 1.421 -5.131 1.00 0.00 N ATOM 0 H ARG B 27 -11.350 1.369 0.382 1.00 0.00 H new ATOM 0 HA ARG B 27 -12.832 -0.286 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.091 1.766 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.465 1.560 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.422 1.377 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.033 -0.183 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -11.578 -0.473 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.359 -0.952 -3.637 1.00 0.00 H new ATOM 0 HE ARG B 27 -12.890 1.834 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -13.804 -1.486 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.430 -1.018 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -14.976 2.397 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.086 1.157 -5.502 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.734 -1.277 -0.796 1.00 0.00 N ATOM 1080 CA LEU B 28 -8.846 -2.430 -0.782 1.00 0.00 C ATOM 1081 C LEU B 28 -9.400 -3.538 0.123 1.00 0.00 C ATOM 1082 O LEU B 28 -9.232 -4.723 -0.162 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.464 -1.971 -0.320 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.310 -2.961 -0.461 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.337 -3.959 0.668 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.352 -3.658 -1.809 1.00 0.00 C ATOM 0 H LEU B 28 -9.312 -0.424 -0.429 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.770 -2.851 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.205 -1.070 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.537 -1.687 0.730 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.372 -2.408 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.509 -4.659 0.555 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.242 -3.435 1.619 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.280 -4.506 0.648 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.519 -4.357 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.292 -4.201 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.275 -2.917 -2.604 1.00 0.00 H new ATOM 1098 N LYS B 29 -10.054 -3.151 1.213 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.705 -4.112 2.100 1.00 0.00 C ATOM 1100 C LYS B 29 -11.728 -4.931 1.318 1.00 0.00 C ATOM 1101 O LYS B 29 -11.842 -6.144 1.494 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.361 -3.377 3.284 1.00 0.00 C ATOM 1103 CG LYS B 29 -12.120 -4.271 4.259 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.546 -4.535 3.794 1.00 0.00 C ATOM 1105 CE LYS B 29 -14.257 -5.537 4.691 1.00 0.00 C ATOM 1106 NZ LYS B 29 -14.324 -5.078 6.102 1.00 0.00 N ATOM 0 H LYS B 29 -10.148 -2.178 1.505 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.959 -4.798 2.502 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.587 -2.842 3.833 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.049 -2.628 2.891 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.593 -5.219 4.369 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.140 -3.801 5.242 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.104 -3.598 3.782 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.531 -4.910 2.771 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.267 -5.704 4.317 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.738 -6.494 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.917 -5.732 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.366 -5.057 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.736 -4.124 6.137 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.449 -4.257 0.439 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.429 -4.905 -0.418 1.00 0.00 C ATOM 1122 C VAL B 30 -12.748 -5.829 -1.411 1.00 0.00 C ATOM 1123 O VAL B 30 -13.264 -6.888 -1.769 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.262 -3.855 -1.161 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.265 -4.504 -2.096 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -14.950 -2.956 -0.154 1.00 0.00 C ATOM 0 H VAL B 30 -12.373 -3.250 0.299 1.00 0.00 H new ATOM 0 HA VAL B 30 -14.091 -5.501 0.210 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.598 -3.252 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -15.839 -3.731 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -14.737 -5.110 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -15.941 -5.138 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.543 -2.208 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.602 -3.555 0.482 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.200 -2.458 0.461 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.571 -5.426 -1.828 1.00 0.00 N ATOM 1137 CA TYR B 31 -10.750 -6.226 -2.706 1.00 0.00 C ATOM 1138 C TYR B 31 -10.315 -7.498 -1.991 1.00 0.00 C ATOM 1139 O TYR B 31 -10.286 -8.585 -2.581 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.535 -5.413 -3.138 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.554 -6.190 -3.968 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -8.861 -6.546 -5.266 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.327 -6.574 -3.451 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -7.975 -7.262 -6.033 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.432 -7.294 -4.210 1.00 0.00 C ATOM 1146 CZ TYR B 31 -6.759 -7.636 -5.502 1.00 0.00 C ATOM 1147 OH TYR B 31 -5.868 -8.350 -6.270 1.00 0.00 O ATOM 0 H TYR B 31 -11.155 -4.532 -1.567 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.322 -6.507 -3.590 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -9.872 -4.546 -3.706 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.028 -5.035 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -9.813 -6.257 -5.685 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.069 -6.304 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.230 -7.531 -7.048 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.480 -7.588 -3.794 1.00 0.00 H new ATOM 0 HH TYR B 31 -5.987 -8.113 -7.214 1.00 0.00 H new ATOM 1157 N CYS B 32 -10.004 -7.356 -0.711 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.587 -8.487 0.106 1.00 0.00 C ATOM 1159 C CYS B 32 -10.773 -9.374 0.453 1.00 0.00 C ATOM 1160 O CYS B 32 -10.614 -10.549 0.757 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.909 -8.001 1.382 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.457 -6.978 1.082 1.00 0.00 S ATOM 0 H CYS B 32 -10.033 -6.466 -0.214 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.874 -9.075 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.628 -7.433 1.972 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.618 -8.864 1.980 1.00 0.00 H new ATOM 0 HG CYS B 32 -6.382 -7.685 1.269 1.00 0.00 H new ATOM 1168 N ALA B 33 -11.960 -8.806 0.410 1.00 0.00 N ATOM 1169 CA ALA B 33 -13.167 -9.568 0.652 1.00 0.00 C ATOM 1170 C ALA B 33 -13.573 -10.320 -0.608 1.00 0.00 C ATOM 1171 O ALA B 33 -14.002 -11.470 -0.554 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.278 -8.645 1.116 1.00 0.00 C ATOM 0 H ALA B 33 -12.115 -7.818 0.209 1.00 0.00 H new ATOM 0 HA ALA B 33 -12.978 -10.299 1.438 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.182 -9.226 1.296 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -13.977 -8.148 2.038 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.474 -7.897 0.348 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.399 -9.662 -1.743 1.00 0.00 N ATOM 1179 CA LYS B 34 -13.771 -10.224 -3.027 1.00 0.00 C ATOM 1180 C LYS B 34 -12.848 -11.366 -3.418 1.00 0.00 C ATOM 1181 O LYS B 34 -13.299 -12.411 -3.885 1.00 0.00 O ATOM 1182 CB LYS B 34 -13.739 -9.129 -4.101 1.00 0.00 C ATOM 1183 CG LYS B 34 -14.208 -9.590 -5.470 1.00 0.00 C ATOM 1184 CD LYS B 34 -13.988 -8.534 -6.552 1.00 0.00 C ATOM 1185 CE LYS B 34 -14.960 -7.358 -6.446 1.00 0.00 C ATOM 1186 NZ LYS B 34 -14.585 -6.390 -5.377 1.00 0.00 N ATOM 0 H LYS B 34 -12.997 -8.726 -1.798 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.782 -10.624 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.364 -8.297 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -12.721 -8.748 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.677 -10.502 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.268 -9.840 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -12.966 -8.161 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.094 -8.999 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.999 -6.838 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.962 -7.738 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.262 -6.462 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -13.628 -6.607 -5.032 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.603 -5.424 -5.762 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.558 -11.172 -3.212 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.578 -12.185 -3.573 1.00 0.00 C ATOM 1202 C ASN B 35 -10.257 -13.053 -2.378 1.00 0.00 C ATOM 1203 O ASN B 35 -9.448 -13.976 -2.468 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.297 -11.533 -4.089 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.496 -10.836 -5.417 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.278 -11.424 -6.474 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -9.914 -9.581 -5.373 1.00 0.00 N ATOM 0 H ASN B 35 -11.164 -10.327 -2.799 1.00 0.00 H new ATOM 0 HA ASN B 35 -11.004 -12.804 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.939 -10.812 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.523 -12.293 -4.194 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.067 -9.064 -6.239 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.083 -9.131 -4.473 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.915 -12.753 -1.261 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.623 -13.410 0.014 1.00 0.00 C ATOM 1216 C ASN B 36 -9.146 -13.262 0.387 1.00 0.00 C ATOM 1217 O ASN B 36 -8.597 -14.075 1.130 1.00 0.00 O ATOM 1218 CB ASN B 36 -11.019 -14.887 -0.038 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.520 -15.088 0.021 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -13.240 -14.291 0.623 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -13.002 -16.155 -0.597 1.00 0.00 N ATOM 0 H ASN B 36 -11.658 -12.056 -1.211 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.215 -12.920 0.787 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.632 -15.331 -0.955 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.552 -15.415 0.794 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -14.005 -16.341 -0.586 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.371 -16.791 -1.085 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.516 -12.211 -0.131 1.00 0.00 N ATOM 1229 CA LEU B 37 -7.113 -11.928 0.141 1.00 0.00 C ATOM 1230 C LEU B 37 -6.918 -11.372 1.541 1.00 0.00 C ATOM 1231 O LEU B 37 -7.876 -10.980 2.212 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.579 -10.920 -0.879 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.617 -11.484 -1.928 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.252 -12.638 -2.690 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.184 -10.384 -2.884 1.00 0.00 C ATOM 0 H LEU B 37 -8.964 -11.534 -0.749 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.564 -12.867 0.064 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.427 -10.469 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.072 -10.120 -0.340 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.737 -11.870 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.546 -13.019 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.513 -13.434 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -7.152 -12.289 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.500 -10.795 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -6.060 -9.973 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.681 -9.594 -2.326 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.668 -11.357 1.976 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.305 -10.749 3.240 1.00 0.00 C ATOM 1249 C GLN B 38 -5.102 -9.257 3.048 1.00 0.00 C ATOM 1250 O GLN B 38 -4.459 -8.845 2.082 1.00 0.00 O ATOM 1251 CB GLN B 38 -4.023 -11.366 3.795 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.134 -12.850 4.074 1.00 0.00 C ATOM 1253 CD GLN B 38 -2.823 -13.444 4.545 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -2.542 -13.475 5.743 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -2.011 -13.915 3.610 1.00 0.00 N ATOM 0 H GLN B 38 -4.884 -11.763 1.465 1.00 0.00 H new ATOM 0 HA GLN B 38 -6.113 -10.927 3.950 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.213 -11.198 3.086 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.752 -10.851 4.717 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -4.900 -13.019 4.831 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.460 -13.364 3.170 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.283 -13.870 2.628 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.114 -14.323 3.872 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.655 -8.462 3.953 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.495 -7.007 3.910 1.00 0.00 C ATOM 1266 C LEU B 39 -4.025 -6.629 3.721 1.00 0.00 C ATOM 1267 O LEU B 39 -3.678 -5.855 2.827 1.00 0.00 O ATOM 1268 CB LEU B 39 -6.024 -6.379 5.204 1.00 0.00 C ATOM 1269 CG LEU B 39 -7.012 -5.218 5.032 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.523 -4.230 3.988 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.396 -5.733 4.670 1.00 0.00 C ATOM 0 H LEU B 39 -6.222 -8.798 4.731 1.00 0.00 H new ATOM 0 HA LEU B 39 -6.067 -6.627 3.063 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.509 -7.159 5.791 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -5.174 -6.024 5.786 1.00 0.00 H new ATOM 0 HG LEU B 39 -7.077 -4.696 5.987 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.244 -3.419 3.889 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.559 -3.823 4.295 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.414 -4.738 3.030 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -9.078 -4.891 4.553 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.344 -6.290 3.735 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.759 -6.388 5.462 1.00 0.00 H new ATOM 1283 N THR B 40 -3.168 -7.203 4.551 1.00 0.00 N ATOM 1284 CA THR B 40 -1.745 -6.916 4.508 1.00 0.00 C ATOM 1285 C THR B 40 -1.133 -7.334 3.176 1.00 0.00 C ATOM 1286 O THR B 40 -0.425 -6.550 2.544 1.00 0.00 O ATOM 1287 CB THR B 40 -1.017 -7.637 5.652 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.721 -7.421 6.882 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.415 -7.145 5.790 1.00 0.00 C ATOM 0 H THR B 40 -3.438 -7.876 5.268 1.00 0.00 H new ATOM 0 HA THR B 40 -1.626 -5.839 4.622 1.00 0.00 H new ATOM 0 HB THR B 40 -0.991 -8.702 5.422 1.00 0.00 H new ATOM 0 HG1 THR B 40 -1.256 -7.883 7.611 1.00 0.00 H new ATOM 0 HG21 THR B 40 0.904 -7.674 6.608 1.00 0.00 H new ATOM 0 HG22 THR B 40 0.955 -7.333 4.862 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.414 -6.075 5.999 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.428 -8.563 2.752 1.00 0.00 N ATOM 1298 CA GLN B 41 -0.928 -9.081 1.486 1.00 0.00 C ATOM 1299 C GLN B 41 -1.271 -8.127 0.348 1.00 0.00 C ATOM 1300 O GLN B 41 -0.454 -7.873 -0.534 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.543 -10.453 1.211 1.00 0.00 C ATOM 1302 CG GLN B 41 -0.890 -11.197 0.055 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.659 -12.439 -0.342 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -2.557 -12.299 -1.303 1.00 0.00 O flip ATOM 1305 NE2 GLN B 41 -1.446 -13.520 0.205 1.00 0.00 N flip ATOM 0 H GLN B 41 -2.013 -9.218 3.271 1.00 0.00 H new ATOM 0 HA GLN B 41 0.156 -9.175 1.550 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.468 -11.062 2.112 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.605 -10.329 0.998 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -0.813 -10.531 -0.804 1.00 0.00 H new ATOM 0 HG3 GLN B 41 0.126 -11.476 0.334 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -0.745 -13.589 0.943 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -1.970 -14.347 -0.079 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.482 -7.591 0.397 1.00 0.00 N ATOM 1315 CA ALA B 42 -2.957 -6.669 -0.622 1.00 0.00 C ATOM 1316 C ALA B 42 -2.164 -5.373 -0.599 1.00 0.00 C ATOM 1317 O ALA B 42 -1.750 -4.886 -1.642 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.425 -6.386 -0.418 1.00 0.00 C ATOM 0 H ALA B 42 -3.157 -7.781 1.138 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.815 -7.135 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.772 -5.695 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.988 -7.317 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.577 -5.942 0.566 1.00 0.00 H new ATOM 1324 N ILE B 43 -1.955 -4.820 0.597 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.145 -3.614 0.746 1.00 0.00 C ATOM 1326 C ILE B 43 0.247 -3.832 0.175 1.00 0.00 C ATOM 1327 O ILE B 43 0.755 -2.999 -0.569 1.00 0.00 O ATOM 1328 CB ILE B 43 -1.020 -3.172 2.229 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.109 -2.162 2.594 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.358 -2.594 2.511 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.506 -2.731 2.566 1.00 0.00 C ATOM 0 H ILE B 43 -2.334 -5.187 1.470 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.655 -2.824 0.195 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.153 -4.057 2.851 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.907 -1.770 3.591 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -2.056 -1.320 1.903 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.419 -2.292 3.557 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.118 -3.348 2.306 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.526 -1.727 1.873 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.221 -1.954 2.836 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.730 -3.097 1.564 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.578 -3.553 3.278 1.00 0.00 H new ATOM 1343 N GLU B 44 0.848 -4.951 0.532 1.00 0.00 N ATOM 1344 CA GLU B 44 2.205 -5.267 0.105 1.00 0.00 C ATOM 1345 C GLU B 44 2.294 -5.380 -1.410 1.00 0.00 C ATOM 1346 O GLU B 44 3.217 -4.852 -2.024 1.00 0.00 O ATOM 1347 CB GLU B 44 2.672 -6.566 0.752 1.00 0.00 C ATOM 1348 CG GLU B 44 2.701 -6.520 2.268 1.00 0.00 C ATOM 1349 CD GLU B 44 3.139 -7.831 2.876 1.00 0.00 C ATOM 1350 OE1 GLU B 44 4.361 -8.034 3.018 1.00 0.00 O ATOM 1351 OE2 GLU B 44 2.270 -8.662 3.208 1.00 0.00 O ATOM 0 H GLU B 44 0.417 -5.664 1.121 1.00 0.00 H new ATOM 0 HA GLU B 44 2.855 -4.453 0.424 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.014 -7.376 0.435 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.671 -6.805 0.386 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.377 -5.729 2.592 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.709 -6.264 2.640 1.00 0.00 H new ATOM 1358 N GLU B 45 1.336 -6.067 -2.009 1.00 0.00 N ATOM 1359 CA GLU B 45 1.278 -6.174 -3.458 1.00 0.00 C ATOM 1360 C GLU B 45 0.937 -4.820 -4.068 1.00 0.00 C ATOM 1361 O GLU B 45 1.381 -4.495 -5.169 1.00 0.00 O ATOM 1362 CB GLU B 45 0.257 -7.231 -3.879 1.00 0.00 C ATOM 1363 CG GLU B 45 0.587 -8.629 -3.373 1.00 0.00 C ATOM 1364 CD GLU B 45 1.945 -9.119 -3.835 1.00 0.00 C ATOM 1365 OE1 GLU B 45 2.969 -8.731 -3.231 1.00 0.00 O ATOM 1366 OE2 GLU B 45 1.999 -9.910 -4.799 1.00 0.00 O ATOM 0 H GLU B 45 0.590 -6.558 -1.517 1.00 0.00 H new ATOM 0 HA GLU B 45 2.256 -6.485 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -0.727 -6.942 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.195 -7.252 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.557 -8.632 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -0.180 -9.324 -3.715 1.00 0.00 H new ATOM 1373 N ALA B 46 0.168 -4.026 -3.328 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.186 -2.687 -3.758 1.00 0.00 C ATOM 1375 C ALA B 46 1.046 -1.808 -3.829 1.00 0.00 C ATOM 1376 O ALA B 46 1.372 -1.246 -4.870 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.206 -2.076 -2.807 1.00 0.00 C ATOM 0 H ALA B 46 -0.221 -4.294 -2.424 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.627 -2.753 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.461 -1.071 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.105 -2.693 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.784 -2.026 -1.803 1.00 0.00 H new ATOM 1383 N ILE B 47 1.735 -1.714 -2.705 1.00 0.00 N ATOM 1384 CA ILE B 47 2.906 -0.891 -2.586 1.00 0.00 C ATOM 1385 C ILE B 47 4.037 -1.406 -3.479 1.00 0.00 C ATOM 1386 O ILE B 47 4.847 -0.630 -3.981 1.00 0.00 O ATOM 1387 CB ILE B 47 3.338 -0.813 -1.106 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.510 0.136 -0.926 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.676 -2.186 -0.556 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.862 0.357 0.525 1.00 0.00 C ATOM 0 H ILE B 47 1.489 -2.213 -1.850 1.00 0.00 H new ATOM 0 HA ILE B 47 2.667 0.116 -2.929 1.00 0.00 H new ATOM 0 HB ILE B 47 2.492 -0.422 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.379 -0.262 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE B 47 4.271 1.094 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE B 47 3.976 -2.096 0.488 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.801 -2.832 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.494 -2.618 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.706 1.043 0.594 1.00 0.00 H new ATOM 0 HD12 ILE B 47 4.005 0.782 1.047 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.130 -0.595 0.983 1.00 0.00 H new ATOM 1402 N LYS B 48 4.056 -2.715 -3.710 1.00 0.00 N ATOM 1403 CA LYS B 48 5.050 -3.326 -4.580 1.00 0.00 C ATOM 1404 C LYS B 48 4.860 -2.882 -6.022 1.00 0.00 C ATOM 1405 O LYS B 48 5.769 -2.318 -6.633 1.00 0.00 O ATOM 1406 CB LYS B 48 4.954 -4.852 -4.496 1.00 0.00 C ATOM 1407 CG LYS B 48 5.807 -5.601 -5.521 1.00 0.00 C ATOM 1408 CD LYS B 48 7.298 -5.318 -5.375 1.00 0.00 C ATOM 1409 CE LYS B 48 7.842 -5.812 -4.044 1.00 0.00 C ATOM 1410 NZ LYS B 48 7.736 -7.290 -3.914 1.00 0.00 N ATOM 0 H LYS B 48 3.391 -3.373 -3.304 1.00 0.00 H new ATOM 0 HA LYS B 48 6.036 -3.004 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.251 -5.167 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.912 -5.145 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.634 -6.672 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.487 -5.323 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.840 -5.799 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.474 -4.246 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS B 48 8.886 -5.513 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.296 -5.336 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 8.294 -7.607 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 6.740 -7.556 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 8.100 -7.741 -4.777 1.00 0.00 H new ATOM 1424 N GLU B 49 3.672 -3.127 -6.561 1.00 0.00 N ATOM 1425 CA GLU B 49 3.393 -2.782 -7.948 1.00 0.00 C ATOM 1426 C GLU B 49 3.334 -1.274 -8.124 1.00 0.00 C ATOM 1427 O GLU B 49 3.333 -0.772 -9.244 1.00 0.00 O ATOM 1428 CB GLU B 49 2.082 -3.437 -8.432 1.00 0.00 C ATOM 1429 CG GLU B 49 2.240 -4.872 -8.956 1.00 0.00 C ATOM 1430 CD GLU B 49 0.953 -5.662 -8.931 1.00 0.00 C ATOM 1431 OE1 GLU B 49 0.021 -5.313 -9.691 1.00 0.00 O ATOM 1432 OE2 GLU B 49 0.885 -6.671 -8.196 1.00 0.00 O ATOM 0 H GLU B 49 2.893 -3.559 -6.064 1.00 0.00 H new ATOM 0 HA GLU B 49 4.208 -3.169 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU B 49 1.368 -3.441 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.653 -2.821 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU B 49 2.618 -4.839 -9.978 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.988 -5.390 -8.356 1.00 0.00 H new ATOM 1439 N TYR B 50 3.314 -0.559 -7.014 1.00 0.00 N ATOM 1440 CA TYR B 50 3.330 0.880 -7.034 1.00 0.00 C ATOM 1441 C TYR B 50 4.733 1.388 -7.335 1.00 0.00 C ATOM 1442 O TYR B 50 4.921 2.266 -8.173 1.00 0.00 O ATOM 1443 CB TYR B 50 2.834 1.407 -5.698 1.00 0.00 C ATOM 1444 CG TYR B 50 2.992 2.891 -5.509 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.197 3.784 -6.203 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.924 3.389 -4.612 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.325 5.143 -6.014 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.060 4.748 -4.410 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.257 5.623 -5.116 1.00 0.00 C ATOM 1450 OH TYR B 50 3.383 6.981 -4.925 1.00 0.00 O ATOM 0 H TYR B 50 3.286 -0.965 -6.079 1.00 0.00 H new ATOM 0 HA TYR B 50 2.669 1.241 -7.821 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.780 1.151 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.369 0.894 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.465 3.411 -6.904 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.553 2.704 -4.063 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.699 5.829 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.788 5.124 -3.706 1.00 0.00 H new ATOM 0 HH TYR B 50 4.332 7.225 -4.929 1.00 0.00 H new ATOM 1460 N LEU B 51 5.717 0.814 -6.653 1.00 0.00 N ATOM 1461 CA LEU B 51 7.112 1.159 -6.893 1.00 0.00 C ATOM 1462 C LEU B 51 7.521 0.827 -8.317 1.00 0.00 C ATOM 1463 O LEU B 51 8.261 1.574 -8.949 1.00 0.00 O ATOM 1464 CB LEU B 51 8.038 0.434 -5.920 1.00 0.00 C ATOM 1465 CG LEU B 51 8.334 1.165 -4.610 1.00 0.00 C ATOM 1466 CD1 LEU B 51 7.948 2.636 -4.693 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.637 0.477 -3.449 1.00 0.00 C ATOM 0 H LEU B 51 5.575 0.108 -5.930 1.00 0.00 H new ATOM 0 HA LEU B 51 7.206 2.234 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.597 -0.534 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.983 0.238 -6.426 1.00 0.00 H new ATOM 0 HG LEU B 51 9.409 1.124 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.172 3.125 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.514 3.116 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.882 2.721 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.858 1.010 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.560 0.477 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.992 -0.551 -3.369 1.00 0.00 H new ATOM 1479 N GLN B 52 7.029 -0.286 -8.821 1.00 0.00 N ATOM 1480 CA GLN B 52 7.379 -0.728 -10.162 1.00 0.00 C ATOM 1481 C GLN B 52 6.652 0.105 -11.212 1.00 0.00 C ATOM 1482 O GLN B 52 7.144 0.299 -12.325 1.00 0.00 O ATOM 1483 CB GLN B 52 7.059 -2.216 -10.335 1.00 0.00 C ATOM 1484 CG GLN B 52 8.231 -3.162 -10.061 1.00 0.00 C ATOM 1485 CD GLN B 52 8.722 -3.175 -8.617 1.00 0.00 C ATOM 1486 OE1 GLN B 52 8.698 -2.171 -7.915 1.00 0.00 O ATOM 1487 NE2 GLN B 52 9.159 -4.336 -8.159 1.00 0.00 N ATOM 0 H GLN B 52 6.386 -0.903 -8.325 1.00 0.00 H new ATOM 0 HA GLN B 52 8.451 -0.588 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN B 52 6.237 -2.476 -9.668 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.708 -2.381 -11.353 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.935 -4.174 -10.338 1.00 0.00 H new ATOM 0 HG3 GLN B 52 9.062 -2.885 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN B 52 9.167 -5.154 -8.768 1.00 0.00 H new ATOM 0 HE22 GLN B 52 9.488 -4.413 -7.197 1.00 0.00 H new