USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 97 MET CE :methyl -176:sc= 0 (180deg=-0.0117) USER MOD Set 1.2: A 99 GLN :FLIP amide:sc= -0.154 F(o=-2.4!,f=-0.15) USER MOD Set 2.1: A 94 MET CE :methyl -120:sc= -0.11 (180deg=-3.29!) USER MOD Set 2.2: A 105 CYS SG : rot -170:sc= -0.334 USER MOD Set 3.1: A 25 ASN :FLIP amide:sc= -2.21! C(o=-8.4!,f=-1.7!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -122:sc= 0.495 (180deg=-0.0316) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc=-0.00106 (180deg=-0.107) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 18:sc= 0.664! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 29 CYS SG : rot 112:sc= -0.568 USER MOD Single : A 34 TYR OH : rot 85:sc= 0.499 USER MOD Single : A 35 SER OG : rot 180:sc= -1.76! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.077) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -168:sc= -1.22 USER MOD Single : A 46 GLN :FLIP amide:sc= 0.111 F(o=-3.9!,f=0.11) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -1.05 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0474 USER MOD Single : A 82 SER OG : rot 180:sc= -0.528 USER MOD Single : A 84 SER OG : rot 180:sc=-0.00471 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.503 USER MOD Single : A 95 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.534) USER MOD Single : A 104 CYS SG : rot 51:sc= -3.8! USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -4.343 8.109 -8.911 1.00 0.00 N ATOM 113 CA LYS A 9 -3.080 7.415 -8.684 1.00 0.00 C ATOM 114 C LYS A 9 -2.791 7.256 -7.193 1.00 0.00 C ATOM 115 O LYS A 9 -2.389 8.206 -6.514 1.00 0.00 O ATOM 116 CB LYS A 9 -1.930 8.162 -9.362 1.00 0.00 C ATOM 117 CG LYS A 9 -1.205 7.336 -10.412 1.00 0.00 C ATOM 118 CD LYS A 9 -0.394 6.218 -9.779 1.00 0.00 C ATOM 119 CE LYS A 9 -0.599 4.901 -10.509 1.00 0.00 C ATOM 120 NZ LYS A 9 -1.901 4.267 -10.159 1.00 0.00 N ATOM 0 HA LYS A 9 -3.167 6.420 -9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.320 9.067 -9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.215 8.478 -8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.930 6.912 -11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.546 7.981 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.664 6.482 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.682 6.105 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.556 5.072 -11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.215 4.219 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.951 3.319 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.982 4.188 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.681 4.851 -10.524 1.00 0.00 H new ATOM 134 N ALA A 10 -3.015 6.051 -6.687 1.00 0.00 N ATOM 135 CA ALA A 10 -2.784 5.767 -5.280 1.00 0.00 C ATOM 136 C ALA A 10 -1.328 5.405 -5.018 1.00 0.00 C ATOM 137 O ALA A 10 -0.924 4.256 -5.189 1.00 0.00 O ATOM 138 CB ALA A 10 -3.707 4.653 -4.807 1.00 0.00 C ATOM 0 H ALA A 10 -3.356 5.257 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.007 6.671 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.523 4.451 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.745 4.958 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.516 3.751 -5.388 1.00 0.00 H new ATOM 144 N ILE A 11 -0.539 6.395 -4.604 1.00 0.00 N ATOM 145 CA ILE A 11 0.873 6.176 -4.322 1.00 0.00 C ATOM 146 C ILE A 11 1.163 6.292 -2.827 1.00 0.00 C ATOM 147 O ILE A 11 0.980 7.352 -2.229 1.00 0.00 O ATOM 148 CB ILE A 11 1.765 7.174 -5.089 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.643 6.938 -6.595 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.217 7.051 -4.645 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.540 8.215 -7.402 1.00 0.00 C ATOM 0 H ILE A 11 -0.855 7.354 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 11 1.106 5.165 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 11 1.426 8.185 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.509 6.371 -6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.763 6.324 -6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.828 7.764 -5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.290 7.262 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.573 6.039 -4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.456 7.970 -8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.658 8.774 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.431 8.821 -7.239 1.00 0.00 H new ATOM 163 N PHE A 12 1.625 5.195 -2.238 1.00 0.00 N ATOM 164 CA PHE A 12 1.957 5.160 -0.818 1.00 0.00 C ATOM 165 C PHE A 12 3.434 4.831 -0.633 1.00 0.00 C ATOM 166 O PHE A 12 3.858 3.700 -0.876 1.00 0.00 O ATOM 167 CB PHE A 12 1.113 4.102 -0.096 1.00 0.00 C ATOM 168 CG PHE A 12 -0.252 4.569 0.333 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.261 4.761 -0.598 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.532 4.792 1.673 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.521 5.170 -0.201 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.790 5.203 2.075 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.787 5.390 1.137 1.00 0.00 C ATOM 0 H PHE A 12 1.779 4.312 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 12 1.744 6.141 -0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.997 3.240 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.658 3.761 0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.061 4.589 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.242 4.643 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.297 5.318 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.993 5.378 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.771 5.707 1.449 1.00 0.00 H new ATOM 183 N THR A 13 4.220 5.810 -0.195 1.00 0.00 N ATOM 184 CA THR A 13 5.644 5.587 0.022 1.00 0.00 C ATOM 185 C THR A 13 5.900 5.112 1.443 1.00 0.00 C ATOM 186 O THR A 13 5.522 5.777 2.406 1.00 0.00 O ATOM 187 CB THR A 13 6.483 6.849 -0.245 1.00 0.00 C ATOM 188 OG1 THR A 13 5.990 7.530 -1.406 1.00 0.00 O ATOM 189 CG2 THR A 13 7.946 6.481 -0.447 1.00 0.00 C ATOM 0 H THR A 13 3.899 6.755 0.014 1.00 0.00 H new ATOM 0 HA THR A 13 5.950 4.820 -0.689 1.00 0.00 H new ATOM 0 HB THR A 13 6.402 7.508 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.528 8.333 -1.568 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.526 7.385 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.324 5.987 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.037 5.808 -1.299 1.00 0.00 H new ATOM 197 N VAL A 14 6.515 3.943 1.562 1.00 0.00 N ATOM 198 CA VAL A 14 6.798 3.351 2.863 1.00 0.00 C ATOM 199 C VAL A 14 8.196 2.744 2.903 1.00 0.00 C ATOM 200 O VAL A 14 8.856 2.634 1.877 1.00 0.00 O ATOM 201 CB VAL A 14 5.764 2.246 3.191 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.463 2.490 2.440 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.309 0.863 2.849 1.00 0.00 C ATOM 0 H VAL A 14 6.829 3.383 0.769 1.00 0.00 H new ATOM 0 HA VAL A 14 6.736 4.149 3.603 1.00 0.00 H new ATOM 0 HB VAL A 14 5.568 2.284 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.749 1.703 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.051 3.456 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.656 2.486 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.561 0.107 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.542 0.817 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.214 0.675 3.427 1.00 0.00 H new ATOM 213 N ASP A 15 8.625 2.322 4.091 1.00 0.00 N ATOM 214 CA ASP A 15 9.929 1.688 4.252 1.00 0.00 C ATOM 215 C ASP A 15 9.750 0.174 4.319 1.00 0.00 C ATOM 216 O ASP A 15 8.634 -0.309 4.493 1.00 0.00 O ATOM 217 CB ASP A 15 10.632 2.203 5.509 1.00 0.00 C ATOM 218 CG ASP A 15 9.985 1.699 6.784 1.00 0.00 C ATOM 219 OD1 ASP A 15 8.740 1.715 6.865 1.00 0.00 O ATOM 220 OD2 ASP A 15 10.727 1.290 7.703 1.00 0.00 O ATOM 0 H ASP A 15 8.088 2.408 4.954 1.00 0.00 H new ATOM 0 HA ASP A 15 10.555 1.938 3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.677 1.894 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.622 3.293 5.506 1.00 0.00 H new ATOM 225 N ALA A 16 10.829 -0.578 4.154 1.00 0.00 N ATOM 226 CA ALA A 16 10.736 -2.036 4.175 1.00 0.00 C ATOM 227 C ALA A 16 10.873 -2.606 5.582 1.00 0.00 C ATOM 228 O ALA A 16 10.528 -3.763 5.823 1.00 0.00 O ATOM 229 CB ALA A 16 11.781 -2.638 3.250 1.00 0.00 C ATOM 0 H ALA A 16 11.769 -0.211 4.006 1.00 0.00 H new ATOM 0 HA ALA A 16 9.741 -2.305 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.704 -3.725 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.614 -2.283 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.775 -2.338 3.580 1.00 0.00 H new ATOM 235 N LYS A 17 11.366 -1.798 6.510 1.00 0.00 N ATOM 236 CA LYS A 17 11.528 -2.249 7.887 1.00 0.00 C ATOM 237 C LYS A 17 10.171 -2.386 8.572 1.00 0.00 C ATOM 238 O LYS A 17 9.819 -3.455 9.071 1.00 0.00 O ATOM 239 CB LYS A 17 12.413 -1.274 8.668 1.00 0.00 C ATOM 240 CG LYS A 17 12.799 -1.778 10.051 1.00 0.00 C ATOM 241 CD LYS A 17 13.303 -0.649 10.937 1.00 0.00 C ATOM 242 CE LYS A 17 12.212 -0.142 11.867 1.00 0.00 C ATOM 243 NZ LYS A 17 12.590 -0.285 13.300 1.00 0.00 N ATOM 0 H LYS A 17 11.658 -0.836 6.338 1.00 0.00 H new ATOM 0 HA LYS A 17 12.010 -3.227 7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.320 -1.080 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.890 -0.323 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.937 -2.252 10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.572 -2.541 9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.151 -0.998 11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.662 0.171 10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.008 0.906 11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.290 -0.692 11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.819 0.072 13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.760 -1.288 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.455 0.261 13.487 1.00 0.00 H new ATOM 257 N THR A 18 9.429 -1.287 8.610 1.00 0.00 N ATOM 258 CA THR A 18 8.123 -1.286 9.264 1.00 0.00 C ATOM 259 C THR A 18 6.968 -1.007 8.313 1.00 0.00 C ATOM 260 O THR A 18 5.802 -1.133 8.690 1.00 0.00 O ATOM 261 CB THR A 18 8.076 -0.289 10.440 1.00 0.00 C ATOM 262 OG1 THR A 18 6.721 0.085 10.716 1.00 0.00 O ATOM 263 CG2 THR A 18 8.896 0.954 10.134 1.00 0.00 C ATOM 0 H THR A 18 9.703 -0.393 8.201 1.00 0.00 H new ATOM 0 HA THR A 18 7.995 -2.300 9.643 1.00 0.00 H new ATOM 0 HB THR A 18 8.503 -0.780 11.315 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.113 -0.569 10.312 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.846 1.640 10.979 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.934 0.671 9.957 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.497 1.443 9.245 1.00 0.00 H new ATOM 271 N THR A 19 7.289 -0.623 7.091 1.00 0.00 N ATOM 272 CA THR A 19 6.268 -0.315 6.090 1.00 0.00 C ATOM 273 C THR A 19 5.529 0.968 6.446 1.00 0.00 C ATOM 274 O THR A 19 4.506 1.293 5.843 1.00 0.00 O ATOM 275 CB THR A 19 5.241 -1.454 5.929 1.00 0.00 C ATOM 276 OG1 THR A 19 5.820 -2.703 6.327 1.00 0.00 O ATOM 277 CG2 THR A 19 4.761 -1.550 4.491 1.00 0.00 C ATOM 0 H THR A 19 8.248 -0.515 6.762 1.00 0.00 H new ATOM 0 HA THR A 19 6.795 -0.191 5.144 1.00 0.00 H new ATOM 0 HB THR A 19 4.387 -1.232 6.569 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.158 -3.418 6.222 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.037 -2.360 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.291 -0.610 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.610 -1.748 3.837 1.00 0.00 H new ATOM 285 N GLU A 20 6.055 1.694 7.427 1.00 0.00 N ATOM 286 CA GLU A 20 5.448 2.946 7.857 1.00 0.00 C ATOM 287 C GLU A 20 5.364 3.915 6.686 1.00 0.00 C ATOM 288 O GLU A 20 6.386 4.347 6.151 1.00 0.00 O ATOM 289 CB GLU A 20 6.256 3.566 8.997 1.00 0.00 C ATOM 290 CG GLU A 20 5.459 4.547 9.843 1.00 0.00 C ATOM 291 CD GLU A 20 6.323 5.297 10.839 1.00 0.00 C ATOM 292 OE1 GLU A 20 6.869 6.357 10.471 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.450 4.824 11.988 1.00 0.00 O ATOM 0 H GLU A 20 6.899 1.436 7.938 1.00 0.00 H new ATOM 0 HA GLU A 20 4.440 2.740 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.635 2.770 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.123 4.079 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.960 5.263 9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.678 4.007 10.379 1.00 0.00 H new ATOM 300 N ILE A 21 4.143 4.244 6.281 1.00 0.00 N ATOM 301 CA ILE A 21 3.936 5.151 5.159 1.00 0.00 C ATOM 302 C ILE A 21 4.552 6.517 5.426 1.00 0.00 C ATOM 303 O ILE A 21 3.987 7.337 6.149 1.00 0.00 O ATOM 304 CB ILE A 21 2.445 5.334 4.823 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.648 4.076 5.180 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.285 5.664 3.347 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.667 4.278 6.317 1.00 0.00 C ATOM 0 H ILE A 21 3.285 3.898 6.711 1.00 0.00 H new ATOM 0 HA ILE A 21 4.431 4.688 4.305 1.00 0.00 H new ATOM 0 HB ILE A 21 2.053 6.160 5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.104 3.739 4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.343 3.280 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.228 5.792 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.821 6.586 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.692 4.851 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.140 3.344 6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.207 4.585 7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.052 5.050 6.044 1.00 0.00 H new ATOM 319 N LEU A 22 5.718 6.747 4.833 1.00 0.00 N ATOM 320 CA LEU A 22 6.427 8.010 4.991 1.00 0.00 C ATOM 321 C LEU A 22 5.531 9.186 4.611 1.00 0.00 C ATOM 322 O LEU A 22 5.581 10.243 5.239 1.00 0.00 O ATOM 323 CB LEU A 22 7.692 8.023 4.128 1.00 0.00 C ATOM 324 CG LEU A 22 8.334 6.652 3.887 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.515 6.779 2.940 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.769 6.025 5.202 1.00 0.00 C ATOM 0 H LEU A 22 6.194 6.071 4.236 1.00 0.00 H new ATOM 0 HA LEU A 22 6.709 8.110 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.449 8.467 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.428 8.673 4.601 1.00 0.00 H new ATOM 0 HG LEU A 22 7.591 6.000 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.960 5.797 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.175 7.184 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.259 7.448 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.222 5.053 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.496 6.673 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.901 5.899 5.850 1.00 0.00 H new ATOM 338 N VAL A 23 4.706 8.987 3.584 1.00 0.00 N ATOM 339 CA VAL A 23 3.792 10.025 3.119 1.00 0.00 C ATOM 340 C VAL A 23 2.935 9.524 1.954 1.00 0.00 C ATOM 341 O VAL A 23 3.310 8.581 1.256 1.00 0.00 O ATOM 342 CB VAL A 23 4.557 11.303 2.692 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.557 11.482 1.178 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.972 12.527 3.379 1.00 0.00 C ATOM 0 H VAL A 23 4.653 8.114 3.058 1.00 0.00 H new ATOM 0 HA VAL A 23 3.139 10.274 3.956 1.00 0.00 H new ATOM 0 HB VAL A 23 5.594 11.188 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.103 12.389 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.038 10.623 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.530 11.562 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.521 13.416 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.923 12.633 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.052 12.411 4.460 1.00 0.00 H new ATOM 354 N ALA A 24 1.795 10.174 1.743 1.00 0.00 N ATOM 355 CA ALA A 24 0.893 9.814 0.657 1.00 0.00 C ATOM 356 C ALA A 24 0.326 11.068 0.002 1.00 0.00 C ATOM 357 O ALA A 24 0.340 12.145 0.596 1.00 0.00 O ATOM 358 CB ALA A 24 -0.229 8.919 1.160 1.00 0.00 C ATOM 0 H ALA A 24 1.474 10.956 2.313 1.00 0.00 H new ATOM 0 HA ALA A 24 1.460 9.258 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.890 8.663 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.194 8.007 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.797 9.444 1.928 1.00 0.00 H new ATOM 364 N ASN A 25 -0.146 10.934 -1.230 1.00 0.00 N ATOM 365 CA ASN A 25 -0.685 12.073 -1.961 1.00 0.00 C ATOM 366 C ASN A 25 -2.209 12.120 -1.922 1.00 0.00 C ATOM 367 O ASN A 25 -2.856 11.311 -1.257 1.00 0.00 O ATOM 368 CB ASN A 25 -0.207 12.033 -3.413 1.00 0.00 C ATOM 369 CG ASN A 25 -0.950 10.997 -4.236 1.00 0.00 C ATOM 370 OD1 ASN A 25 -1.691 11.461 -5.234 1.00 0.00 O flip ATOM 371 ND2 ASN A 25 -0.863 9.794 -3.979 1.00 0.00 N flip ATOM 0 H ASN A 25 -0.167 10.052 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.318 12.975 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.341 13.016 -3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.861 11.814 -3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.282 9.479 -3.202 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.372 9.114 -4.543 1.00 0.00 H new ATOM 378 N ASP A 26 -2.767 13.085 -2.649 1.00 0.00 N ATOM 379 CA ASP A 26 -4.215 13.259 -2.713 1.00 0.00 C ATOM 380 C ASP A 26 -4.871 12.016 -3.291 1.00 0.00 C ATOM 381 O ASP A 26 -5.537 11.284 -2.568 1.00 0.00 O ATOM 382 CB ASP A 26 -4.569 14.485 -3.556 1.00 0.00 C ATOM 383 CG ASP A 26 -3.748 15.702 -3.180 1.00 0.00 C ATOM 384 OD1 ASP A 26 -4.187 16.465 -2.294 1.00 0.00 O ATOM 385 OD2 ASP A 26 -2.665 15.893 -3.772 1.00 0.00 O ATOM 0 H ASP A 26 -2.237 13.759 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.590 13.413 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.412 14.256 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.628 14.713 -3.434 1.00 0.00 H new ATOM 390 N LYS A 27 -4.687 11.793 -4.594 1.00 0.00 N ATOM 391 CA LYS A 27 -5.271 10.635 -5.272 1.00 0.00 C ATOM 392 C LYS A 27 -5.329 9.429 -4.339 1.00 0.00 C ATOM 393 O LYS A 27 -6.414 8.987 -3.961 1.00 0.00 O ATOM 394 CB LYS A 27 -4.469 10.309 -6.534 1.00 0.00 C ATOM 395 CG LYS A 27 -4.709 11.295 -7.666 1.00 0.00 C ATOM 396 CD LYS A 27 -3.663 11.165 -8.765 1.00 0.00 C ATOM 397 CE LYS A 27 -2.260 11.372 -8.225 1.00 0.00 C ATOM 398 NZ LYS A 27 -2.043 12.773 -7.765 1.00 0.00 N ATOM 0 H LYS A 27 -4.137 12.401 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.293 10.880 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.407 10.298 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.728 9.306 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.701 11.129 -8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.696 12.311 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.736 10.179 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.864 11.896 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.085 10.686 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.533 11.127 -8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.243 13.189 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.901 13.334 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.833 12.775 -6.746 1.00 0.00 H new ATOM 412 N ALA A 28 -4.163 8.912 -3.953 1.00 0.00 N ATOM 413 CA ALA A 28 -4.092 7.770 -3.038 1.00 0.00 C ATOM 414 C ALA A 28 -5.039 7.946 -1.854 1.00 0.00 C ATOM 415 O ALA A 28 -5.909 7.108 -1.607 1.00 0.00 O ATOM 416 CB ALA A 28 -2.665 7.596 -2.538 1.00 0.00 C ATOM 0 H ALA A 28 -3.256 9.264 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.399 6.879 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.619 6.745 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.002 7.420 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.351 8.498 -2.012 1.00 0.00 H new ATOM 422 N CYS A 29 -4.860 9.040 -1.124 1.00 0.00 N ATOM 423 CA CYS A 29 -5.694 9.337 0.035 1.00 0.00 C ATOM 424 C CYS A 29 -7.172 9.283 -0.343 1.00 0.00 C ATOM 425 O CYS A 29 -8.004 8.810 0.431 1.00 0.00 O ATOM 426 CB CYS A 29 -5.330 10.715 0.594 1.00 0.00 C ATOM 427 SG CYS A 29 -6.560 12.001 0.272 1.00 0.00 S ATOM 0 H CYS A 29 -4.142 9.739 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.514 8.586 0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.185 10.630 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.377 11.026 0.167 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.119 12.356 1.390 1.00 0.00 H new ATOM 433 N GLY A 30 -7.483 9.750 -1.548 1.00 0.00 N ATOM 434 CA GLY A 30 -8.851 9.727 -2.022 1.00 0.00 C ATOM 435 C GLY A 30 -9.365 8.309 -2.132 1.00 0.00 C ATOM 436 O GLY A 30 -10.526 8.031 -1.833 1.00 0.00 O ATOM 0 H GLY A 30 -6.809 10.144 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.485 10.295 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.910 10.215 -2.995 1.00 0.00 H new ATOM 440 N LEU A 31 -8.476 7.410 -2.550 1.00 0.00 N ATOM 441 CA LEU A 31 -8.810 5.999 -2.689 1.00 0.00 C ATOM 442 C LEU A 31 -9.462 5.493 -1.402 1.00 0.00 C ATOM 443 O LEU A 31 -10.600 5.027 -1.423 1.00 0.00 O ATOM 444 CB LEU A 31 -7.537 5.206 -3.032 1.00 0.00 C ATOM 445 CG LEU A 31 -7.650 3.675 -3.105 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.123 3.054 -1.824 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.080 3.220 -3.386 1.00 0.00 C ATOM 0 H LEU A 31 -7.514 7.639 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.525 5.860 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.169 5.562 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.778 5.452 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.040 3.333 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.207 1.969 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.077 3.330 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.706 3.416 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.114 2.131 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.737 3.572 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.412 3.631 -4.339 1.00 0.00 H new ATOM 459 N LEU A 32 -8.750 5.607 -0.281 1.00 0.00 N ATOM 460 CA LEU A 32 -9.315 5.169 0.996 1.00 0.00 C ATOM 461 C LEU A 32 -10.022 6.322 1.705 1.00 0.00 C ATOM 462 O LEU A 32 -11.252 6.387 1.723 1.00 0.00 O ATOM 463 CB LEU A 32 -8.268 4.551 1.933 1.00 0.00 C ATOM 464 CG LEU A 32 -6.797 4.709 1.544 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.382 6.172 1.541 1.00 0.00 C ATOM 466 CD2 LEU A 32 -5.936 3.913 2.515 1.00 0.00 C ATOM 0 H LEU A 32 -7.805 5.988 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.038 4.390 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.403 4.986 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.481 3.486 2.021 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.657 4.327 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.332 6.252 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.992 6.722 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.525 6.593 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.886 4.021 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.089 4.286 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.216 2.860 2.470 1.00 0.00 H new ATOM 478 N GLY A 33 -9.242 7.226 2.291 1.00 0.00 N ATOM 479 CA GLY A 33 -9.817 8.359 2.996 1.00 0.00 C ATOM 480 C GLY A 33 -8.856 8.951 4.007 1.00 0.00 C ATOM 481 O GLY A 33 -9.270 9.430 5.064 1.00 0.00 O ATOM 0 H GLY A 33 -8.222 7.195 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.102 9.126 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.728 8.044 3.504 1.00 0.00 H new ATOM 485 N TYR A 34 -7.570 8.913 3.680 1.00 0.00 N ATOM 486 CA TYR A 34 -6.532 9.443 4.558 1.00 0.00 C ATOM 487 C TYR A 34 -5.848 10.645 3.907 1.00 0.00 C ATOM 488 O TYR A 34 -6.481 11.403 3.172 1.00 0.00 O ATOM 489 CB TYR A 34 -5.494 8.357 4.850 1.00 0.00 C ATOM 490 CG TYR A 34 -5.960 7.288 5.808 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.888 6.333 5.417 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.460 7.228 7.101 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.309 5.348 6.290 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.876 6.246 7.981 1.00 0.00 C ATOM 495 CZ TYR A 34 -6.799 5.310 7.571 1.00 0.00 C ATOM 496 OH TYR A 34 -7.213 4.330 8.444 1.00 0.00 O ATOM 0 H TYR A 34 -7.219 8.518 2.808 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.994 9.763 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.206 7.885 3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.599 8.827 5.258 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.288 6.360 4.414 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.735 7.960 7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.033 4.613 5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.479 6.213 8.985 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.678 3.521 8.305 1.00 0.00 H new ATOM 506 N SER A 35 -4.549 10.794 4.168 1.00 0.00 N ATOM 507 CA SER A 35 -3.753 11.875 3.601 1.00 0.00 C ATOM 508 C SER A 35 -2.331 11.817 4.138 1.00 0.00 C ATOM 509 O SER A 35 -2.062 11.140 5.128 1.00 0.00 O ATOM 510 CB SER A 35 -4.364 13.241 3.888 1.00 0.00 C ATOM 511 OG SER A 35 -4.423 13.502 5.277 1.00 0.00 O ATOM 0 H SER A 35 -4.023 10.168 4.778 1.00 0.00 H new ATOM 0 HA SER A 35 -3.739 11.740 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.774 14.015 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.368 13.288 3.465 1.00 0.00 H new ATOM 0 HG SER A 35 -4.818 14.386 5.427 1.00 0.00 H new ATOM 517 N SER A 36 -1.428 12.518 3.471 1.00 0.00 N ATOM 518 CA SER A 36 -0.021 12.543 3.862 1.00 0.00 C ATOM 519 C SER A 36 0.162 12.672 5.376 1.00 0.00 C ATOM 520 O SER A 36 1.062 12.063 5.949 1.00 0.00 O ATOM 521 CB SER A 36 0.697 13.697 3.158 1.00 0.00 C ATOM 522 OG SER A 36 1.356 14.537 4.091 1.00 0.00 O ATOM 0 H SER A 36 -1.644 13.083 2.649 1.00 0.00 H new ATOM 0 HA SER A 36 0.414 11.591 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.422 13.299 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.023 14.281 2.584 1.00 0.00 H new ATOM 0 HG SER A 36 1.808 15.264 3.614 1.00 0.00 H new ATOM 528 N GLN A 37 -0.677 13.482 6.017 1.00 0.00 N ATOM 529 CA GLN A 37 -0.576 13.697 7.461 1.00 0.00 C ATOM 530 C GLN A 37 -1.586 12.868 8.254 1.00 0.00 C ATOM 531 O GLN A 37 -1.505 12.797 9.481 1.00 0.00 O ATOM 532 CB GLN A 37 -0.760 15.181 7.786 1.00 0.00 C ATOM 533 CG GLN A 37 -2.119 15.729 7.386 1.00 0.00 C ATOM 534 CD GLN A 37 -2.075 17.206 7.044 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.236 18.062 7.914 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.857 17.511 5.771 1.00 0.00 N ATOM 0 H GLN A 37 -1.431 13.998 5.564 1.00 0.00 H new ATOM 0 HA GLN A 37 0.419 13.369 7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.619 15.330 8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.017 15.754 7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.493 15.172 6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.825 15.569 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.729 16.769 5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.817 18.488 5.480 1.00 0.00 H new ATOM 545 N ASP A 38 -2.550 12.264 7.568 1.00 0.00 N ATOM 546 CA ASP A 38 -3.579 11.472 8.241 1.00 0.00 C ATOM 547 C ASP A 38 -3.272 9.976 8.219 1.00 0.00 C ATOM 548 O ASP A 38 -3.930 9.196 8.906 1.00 0.00 O ATOM 549 CB ASP A 38 -4.945 11.726 7.605 1.00 0.00 C ATOM 550 CG ASP A 38 -5.630 12.953 8.174 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.158 13.471 9.208 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.639 13.396 7.585 1.00 0.00 O ATOM 0 H ASP A 38 -2.643 12.305 6.553 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.591 11.790 9.284 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.824 11.847 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.581 10.854 7.758 1.00 0.00 H new ATOM 557 N LEU A 39 -2.281 9.570 7.431 1.00 0.00 N ATOM 558 CA LEU A 39 -1.922 8.158 7.339 1.00 0.00 C ATOM 559 C LEU A 39 -0.455 7.933 7.693 1.00 0.00 C ATOM 560 O LEU A 39 -0.026 6.796 7.897 1.00 0.00 O ATOM 561 CB LEU A 39 -2.224 7.623 5.936 1.00 0.00 C ATOM 562 CG LEU A 39 -1.473 8.311 4.800 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.233 7.521 4.424 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.385 8.482 3.597 1.00 0.00 C ATOM 0 H LEU A 39 -1.717 10.192 6.852 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.526 7.610 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.989 6.559 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.294 7.717 5.752 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.157 9.298 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.289 8.028 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.427 7.446 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.523 6.521 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.838 8.974 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.727 7.504 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.245 9.091 3.876 1.00 0.00 H new ATOM 576 N ILE A 40 0.312 9.013 7.771 1.00 0.00 N ATOM 577 CA ILE A 40 1.725 8.911 8.108 1.00 0.00 C ATOM 578 C ILE A 40 1.906 8.449 9.552 1.00 0.00 C ATOM 579 O ILE A 40 1.239 8.945 10.461 1.00 0.00 O ATOM 580 CB ILE A 40 2.461 10.254 7.891 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.985 10.047 7.943 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.004 11.296 8.905 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.581 10.121 9.335 1.00 0.00 C ATOM 0 H ILE A 40 -0.018 9.964 7.607 1.00 0.00 H new ATOM 0 HA ILE A 40 2.163 8.170 7.439 1.00 0.00 H new ATOM 0 HB ILE A 40 2.208 10.631 6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.222 9.075 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.463 10.800 7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.536 12.231 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.932 11.463 8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.216 10.940 9.913 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.658 9.964 9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.379 11.102 9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.135 9.350 9.963 1.00 0.00 H new ATOM 595 N GLY A 41 2.806 7.494 9.757 1.00 0.00 N ATOM 596 CA GLY A 41 3.053 6.981 11.091 1.00 0.00 C ATOM 597 C GLY A 41 2.635 5.532 11.250 1.00 0.00 C ATOM 598 O GLY A 41 3.187 4.811 12.082 1.00 0.00 O ATOM 0 H GLY A 41 3.369 7.066 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.114 7.076 11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.514 7.591 11.816 1.00 0.00 H new ATOM 602 N GLN A 42 1.664 5.102 10.452 1.00 0.00 N ATOM 603 CA GLN A 42 1.181 3.726 10.514 1.00 0.00 C ATOM 604 C GLN A 42 1.631 2.941 9.285 1.00 0.00 C ATOM 605 O GLN A 42 2.482 3.398 8.522 1.00 0.00 O ATOM 606 CB GLN A 42 -0.346 3.691 10.620 1.00 0.00 C ATOM 607 CG GLN A 42 -1.034 4.840 9.905 1.00 0.00 C ATOM 608 CD GLN A 42 -1.834 5.719 10.846 1.00 0.00 C ATOM 609 OE1 GLN A 42 -2.674 5.236 11.604 1.00 0.00 O ATOM 610 NE2 GLN A 42 -1.576 7.019 10.799 1.00 0.00 N ATOM 0 H GLN A 42 1.197 5.684 9.756 1.00 0.00 H new ATOM 0 HA GLN A 42 1.606 3.262 11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.708 2.749 10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.629 3.708 11.673 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.285 5.447 9.396 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.696 4.440 9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.871 7.376 10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.083 7.662 11.407 1.00 0.00 H new ATOM 619 N LYS A 43 1.047 1.765 9.098 1.00 0.00 N ATOM 620 CA LYS A 43 1.373 0.917 7.958 1.00 0.00 C ATOM 621 C LYS A 43 0.221 0.923 6.963 1.00 0.00 C ATOM 622 O LYS A 43 -0.926 0.690 7.338 1.00 0.00 O ATOM 623 CB LYS A 43 1.662 -0.515 8.416 1.00 0.00 C ATOM 624 CG LYS A 43 2.827 -0.624 9.385 1.00 0.00 C ATOM 625 CD LYS A 43 2.395 -1.235 10.710 1.00 0.00 C ATOM 626 CE LYS A 43 2.311 -2.750 10.625 1.00 0.00 C ATOM 627 NZ LYS A 43 2.616 -3.399 11.932 1.00 0.00 N ATOM 0 H LYS A 43 0.342 1.375 9.724 1.00 0.00 H new ATOM 0 HA LYS A 43 2.267 1.312 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.769 -0.923 8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.870 -1.132 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.615 -1.233 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.250 0.365 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.102 -0.952 11.490 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.424 -0.832 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.312 -3.040 10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.009 -3.110 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.548 -4.432 11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.579 -3.143 12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.934 -3.075 12.648 1.00 0.00 H new ATOM 641 N LEU A 44 0.522 1.232 5.707 1.00 0.00 N ATOM 642 CA LEU A 44 -0.507 1.306 4.675 1.00 0.00 C ATOM 643 C LEU A 44 -1.401 0.064 4.673 1.00 0.00 C ATOM 644 O LEU A 44 -2.591 0.158 4.387 1.00 0.00 O ATOM 645 CB LEU A 44 0.135 1.573 3.292 1.00 0.00 C ATOM 646 CG LEU A 44 0.549 0.363 2.424 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.382 -0.650 3.196 1.00 0.00 C ATOM 648 CD2 LEU A 44 -0.668 -0.304 1.811 1.00 0.00 C ATOM 0 H LEU A 44 1.466 1.435 5.379 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.161 2.148 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.566 2.173 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.022 2.185 3.451 1.00 0.00 H new ATOM 0 HG LEU A 44 1.178 0.751 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.646 -1.479 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.291 -0.172 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.806 -1.026 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.351 -1.153 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.330 -0.652 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.198 0.412 1.183 1.00 0.00 H new ATOM 660 N THR A 45 -0.829 -1.090 4.990 1.00 0.00 N ATOM 661 CA THR A 45 -1.576 -2.347 5.011 1.00 0.00 C ATOM 662 C THR A 45 -2.701 -2.337 6.039 1.00 0.00 C ATOM 663 O THR A 45 -3.662 -3.095 5.921 1.00 0.00 O ATOM 664 CB THR A 45 -0.649 -3.535 5.301 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.070 -3.407 6.605 1.00 0.00 O ATOM 666 CG2 THR A 45 0.443 -3.608 4.258 1.00 0.00 C ATOM 0 H THR A 45 0.156 -1.185 5.238 1.00 0.00 H new ATOM 0 HA THR A 45 -2.016 -2.454 4.019 1.00 0.00 H new ATOM 0 HB THR A 45 -1.237 -4.452 5.266 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.656 -4.058 6.706 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.095 -4.454 4.473 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.004 -3.735 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.026 -2.687 4.276 1.00 0.00 H new ATOM 674 N GLN A 46 -2.581 -1.476 7.040 1.00 0.00 N ATOM 675 CA GLN A 46 -3.597 -1.378 8.080 1.00 0.00 C ATOM 676 C GLN A 46 -4.949 -1.063 7.459 1.00 0.00 C ATOM 677 O GLN A 46 -5.998 -1.315 8.052 1.00 0.00 O ATOM 678 CB GLN A 46 -3.222 -0.300 9.096 1.00 0.00 C ATOM 679 CG GLN A 46 -3.203 -0.799 10.533 1.00 0.00 C ATOM 680 CD GLN A 46 -1.807 -0.796 11.129 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.020 0.217 10.789 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -1.443 -1.695 11.888 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.794 -0.837 7.154 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.658 -2.335 8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.239 0.098 8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.930 0.525 9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.856 -0.172 11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.608 -1.810 10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.082 -2.455 12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.503 -1.680 12.283 1.00 0.00 H new ATOM 691 N PHE A 47 -4.908 -0.488 6.267 1.00 0.00 N ATOM 692 CA PHE A 47 -6.122 -0.111 5.559 1.00 0.00 C ATOM 693 C PHE A 47 -6.362 -1.014 4.350 1.00 0.00 C ATOM 694 O PHE A 47 -6.872 -0.562 3.323 1.00 0.00 O ATOM 695 CB PHE A 47 -6.029 1.353 5.119 1.00 0.00 C ATOM 696 CG PHE A 47 -4.999 2.154 5.873 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.088 2.311 7.248 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.939 2.746 5.204 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.140 3.041 7.941 1.00 0.00 C ATOM 700 CE2 PHE A 47 -2.988 3.476 5.892 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.088 3.623 7.262 1.00 0.00 C ATOM 0 H PHE A 47 -4.045 -0.272 5.768 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.967 -0.232 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.794 1.388 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.004 1.823 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.908 1.857 7.784 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.855 2.636 4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.222 3.156 9.012 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.167 3.931 5.359 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.345 4.192 7.801 1.00 0.00 H new ATOM 711 N PHE A 48 -5.989 -2.290 4.471 1.00 0.00 N ATOM 712 CA PHE A 48 -6.165 -3.247 3.377 1.00 0.00 C ATOM 713 C PHE A 48 -6.467 -4.648 3.901 1.00 0.00 C ATOM 714 O PHE A 48 -5.991 -5.035 4.968 1.00 0.00 O ATOM 715 CB PHE A 48 -4.923 -3.281 2.481 1.00 0.00 C ATOM 716 CG PHE A 48 -4.715 -2.008 1.715 1.00 0.00 C ATOM 717 CD1 PHE A 48 -4.103 -0.924 2.310 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.145 -1.890 0.406 1.00 0.00 C ATOM 719 CE1 PHE A 48 -3.924 0.256 1.621 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.967 -0.715 -0.293 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.357 0.361 0.319 1.00 0.00 C ATOM 0 H PHE A 48 -5.565 -2.683 5.311 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.019 -2.913 2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.044 -3.476 3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.011 -4.110 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.759 -1.001 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.626 -2.729 -0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.445 1.096 2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.304 -0.637 -1.316 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.220 1.285 -0.223 1.00 0.00 H new ATOM 731 N LEU A 49 -7.260 -5.389 3.117 1.00 0.00 N ATOM 732 CA LEU A 49 -7.670 -6.768 3.429 1.00 0.00 C ATOM 733 C LEU A 49 -7.258 -7.221 4.827 1.00 0.00 C ATOM 734 O LEU A 49 -6.212 -7.848 5.005 1.00 0.00 O ATOM 735 CB LEU A 49 -7.122 -7.756 2.384 1.00 0.00 C ATOM 736 CG LEU A 49 -5.837 -7.343 1.647 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.099 -6.187 0.695 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.728 -6.991 2.630 1.00 0.00 C ATOM 0 H LEU A 49 -7.641 -5.045 2.236 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.760 -6.766 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.938 -8.709 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.900 -7.930 1.640 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.506 -8.198 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.173 -5.916 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.843 -6.485 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.469 -5.329 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.832 -6.703 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.050 -6.161 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.507 -7.856 3.255 1.00 0.00 H new ATOM 750 N ARG A 50 -8.102 -6.919 5.809 1.00 0.00 N ATOM 751 CA ARG A 50 -7.852 -7.306 7.195 1.00 0.00 C ATOM 752 C ARG A 50 -6.532 -6.746 7.715 1.00 0.00 C ATOM 753 O ARG A 50 -5.453 -7.169 7.302 1.00 0.00 O ATOM 754 CB ARG A 50 -7.853 -8.830 7.329 1.00 0.00 C ATOM 755 CG ARG A 50 -7.807 -9.308 8.770 1.00 0.00 C ATOM 756 CD ARG A 50 -8.043 -10.805 8.869 1.00 0.00 C ATOM 757 NE ARG A 50 -8.392 -11.214 10.226 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.582 -11.701 10.566 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.530 -11.844 9.651 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.823 -12.045 11.824 1.00 0.00 N ATOM 0 H ARG A 50 -8.971 -6.404 5.670 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.656 -6.884 7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.747 -9.229 6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.996 -9.235 6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.838 -9.062 9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.562 -8.781 9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.843 -11.092 8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.146 -11.336 8.550 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.684 -11.121 10.954 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.348 -11.580 8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.442 -12.218 9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.096 -11.936 12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.736 -12.418 12.085 1.00 0.00 H new ATOM 774 N SER A 51 -6.632 -5.797 8.636 1.00 0.00 N ATOM 775 CA SER A 51 -5.459 -5.173 9.235 1.00 0.00 C ATOM 776 C SER A 51 -4.956 -5.985 10.426 1.00 0.00 C ATOM 777 O SER A 51 -3.954 -5.632 11.049 1.00 0.00 O ATOM 778 CB SER A 51 -5.789 -3.748 9.683 1.00 0.00 C ATOM 779 OG SER A 51 -6.224 -3.724 11.032 1.00 0.00 O ATOM 0 H SER A 51 -7.521 -5.440 8.987 1.00 0.00 H new ATOM 0 HA SER A 51 -4.672 -5.141 8.481 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.909 -3.115 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.565 -3.332 9.040 1.00 0.00 H new ATOM 0 HG SER A 51 -6.427 -2.802 11.294 1.00 0.00 H new ATOM 785 N ASP A 52 -5.673 -7.053 10.758 1.00 0.00 N ATOM 786 CA ASP A 52 -5.312 -7.891 11.896 1.00 0.00 C ATOM 787 C ASP A 52 -4.203 -8.893 11.567 1.00 0.00 C ATOM 788 O ASP A 52 -3.081 -8.763 12.051 1.00 0.00 O ATOM 789 CB ASP A 52 -6.546 -8.641 12.405 1.00 0.00 C ATOM 790 CG ASP A 52 -6.432 -9.015 13.869 1.00 0.00 C ATOM 791 OD1 ASP A 52 -6.678 -8.140 14.727 1.00 0.00 O ATOM 792 OD2 ASP A 52 -6.095 -10.183 14.160 1.00 0.00 O ATOM 0 H ASP A 52 -6.507 -7.359 10.256 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.928 -7.226 12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.430 -8.021 12.259 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.689 -9.544 11.812 1.00 0.00 H new ATOM 797 N SER A 53 -4.533 -9.913 10.774 1.00 0.00 N ATOM 798 CA SER A 53 -3.564 -10.955 10.426 1.00 0.00 C ATOM 799 C SER A 53 -2.832 -10.686 9.110 1.00 0.00 C ATOM 800 O SER A 53 -1.613 -10.531 9.095 1.00 0.00 O ATOM 801 CB SER A 53 -4.263 -12.313 10.355 1.00 0.00 C ATOM 802 OG SER A 53 -5.341 -12.288 9.437 1.00 0.00 O ATOM 0 H SER A 53 -5.458 -10.041 10.362 1.00 0.00 H new ATOM 0 HA SER A 53 -2.811 -10.954 11.214 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.546 -13.078 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.630 -12.588 11.344 1.00 0.00 H new ATOM 0 HG SER A 53 -5.769 -13.169 9.411 1.00 0.00 H new ATOM 808 N ASP A 54 -3.586 -10.682 8.011 1.00 0.00 N ATOM 809 CA ASP A 54 -3.032 -10.487 6.666 1.00 0.00 C ATOM 810 C ASP A 54 -1.846 -9.524 6.634 1.00 0.00 C ATOM 811 O ASP A 54 -0.774 -9.877 6.148 1.00 0.00 O ATOM 812 CB ASP A 54 -4.123 -9.984 5.720 1.00 0.00 C ATOM 813 CG ASP A 54 -4.149 -10.745 4.409 1.00 0.00 C ATOM 814 OD1 ASP A 54 -3.871 -11.963 4.424 1.00 0.00 O ATOM 815 OD2 ASP A 54 -4.449 -10.123 3.368 1.00 0.00 O ATOM 0 H ASP A 54 -4.597 -10.813 8.025 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.662 -11.459 6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.093 -10.074 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.965 -8.924 5.519 1.00 0.00 H new ATOM 820 N VAL A 55 -2.045 -8.312 7.127 1.00 0.00 N ATOM 821 CA VAL A 55 -0.984 -7.307 7.122 1.00 0.00 C ATOM 822 C VAL A 55 0.289 -7.806 7.808 1.00 0.00 C ATOM 823 O VAL A 55 1.396 -7.510 7.362 1.00 0.00 O ATOM 824 CB VAL A 55 -1.449 -6.008 7.800 1.00 0.00 C ATOM 825 CG1 VAL A 55 -2.762 -5.543 7.198 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.584 -6.205 9.301 1.00 0.00 C ATOM 0 H VAL A 55 -2.925 -7.997 7.535 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.754 -7.109 6.075 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.698 -5.238 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.081 -4.622 7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.629 -5.360 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.521 -6.312 7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.914 -5.274 9.762 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.315 -6.988 9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.619 -6.494 9.718 1.00 0.00 H new ATOM 836 N VAL A 56 0.130 -8.551 8.896 1.00 0.00 N ATOM 837 CA VAL A 56 1.271 -9.070 9.641 1.00 0.00 C ATOM 838 C VAL A 56 1.991 -10.180 8.878 1.00 0.00 C ATOM 839 O VAL A 56 3.166 -10.450 9.126 1.00 0.00 O ATOM 840 CB VAL A 56 0.840 -9.606 11.019 1.00 0.00 C ATOM 841 CG1 VAL A 56 2.054 -9.919 11.882 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.072 -8.610 11.719 1.00 0.00 C ATOM 0 H VAL A 56 -0.778 -8.809 9.282 1.00 0.00 H new ATOM 0 HA VAL A 56 1.958 -8.234 9.776 1.00 0.00 H new ATOM 0 HB VAL A 56 0.285 -10.532 10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.725 -10.296 12.850 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.667 -10.673 11.388 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.641 -9.012 12.026 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.366 -9.006 12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.457 -7.667 11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.961 -8.442 11.112 1.00 0.00 H new ATOM 852 N GLU A 57 1.282 -10.826 7.959 1.00 0.00 N ATOM 853 CA GLU A 57 1.866 -11.916 7.175 1.00 0.00 C ATOM 854 C GLU A 57 2.524 -11.398 5.899 1.00 0.00 C ATOM 855 O GLU A 57 3.663 -11.753 5.589 1.00 0.00 O ATOM 856 CB GLU A 57 0.801 -12.953 6.812 1.00 0.00 C ATOM 857 CG GLU A 57 -0.487 -12.820 7.606 1.00 0.00 C ATOM 858 CD GLU A 57 -0.711 -13.980 8.558 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.063 -15.079 8.083 1.00 0.00 O ATOM 860 OE2 GLU A 57 -0.536 -13.786 9.779 1.00 0.00 O ATOM 0 H GLU A 57 0.308 -10.618 7.737 1.00 0.00 H new ATOM 0 HA GLU A 57 2.631 -12.384 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.572 -12.867 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.211 -13.950 6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.465 -11.889 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.329 -12.753 6.917 1.00 0.00 H new ATOM 867 N ALA A 58 1.798 -10.570 5.160 1.00 0.00 N ATOM 868 CA ALA A 58 2.300 -10.011 3.908 1.00 0.00 C ATOM 869 C ALA A 58 3.595 -9.229 4.116 1.00 0.00 C ATOM 870 O ALA A 58 4.537 -9.352 3.332 1.00 0.00 O ATOM 871 CB ALA A 58 1.241 -9.123 3.271 1.00 0.00 C ATOM 0 H ALA A 58 0.855 -10.268 5.406 1.00 0.00 H new ATOM 0 HA ALA A 58 2.523 -10.841 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.625 -8.711 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.347 -9.712 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.991 -8.309 3.952 1.00 0.00 H new ATOM 1086 N PHE A 74 0.100 -9.323 -0.601 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.520 -8.006 -0.690 1.00 0.00 C ATOM 1088 C PHE A 74 -0.149 -7.334 -2.008 1.00 0.00 C ATOM 1089 O PHE A 74 -0.882 -6.484 -2.511 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.100 -7.116 0.488 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.680 -5.727 0.425 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -2.040 -5.534 0.214 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.135 -4.613 0.566 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.573 -4.263 0.147 1.00 0.00 C ATOM 1095 CE2 PHE A 74 -0.394 -3.340 0.498 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.748 -3.164 0.287 1.00 0.00 C ATOM 0 HA PHE A 74 -1.601 -8.141 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.410 -7.589 1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.988 -7.047 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.688 -6.390 0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.194 -4.743 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.632 -4.128 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.251 -2.481 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.161 -2.168 0.232 1.00 0.00 H new ATOM 1106 N GLY A 75 0.993 -7.734 -2.567 1.00 0.00 N ATOM 1107 CA GLY A 75 1.443 -7.171 -3.829 1.00 0.00 C ATOM 1108 C GLY A 75 0.727 -7.786 -5.018 1.00 0.00 C ATOM 1109 O GLY A 75 1.339 -8.056 -6.052 1.00 0.00 O ATOM 0 H GLY A 75 1.614 -8.438 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.277 -6.094 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.517 -7.328 -3.933 1.00 0.00 H new ATOM 1113 N THR A 76 -0.573 -8.005 -4.862 1.00 0.00 N ATOM 1114 CA THR A 76 -1.395 -8.591 -5.913 1.00 0.00 C ATOM 1115 C THR A 76 -2.816 -8.044 -5.847 1.00 0.00 C ATOM 1116 O THR A 76 -3.199 -7.416 -4.859 1.00 0.00 O ATOM 1117 CB THR A 76 -1.442 -10.128 -5.800 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.254 -10.611 -5.160 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.577 -10.767 -7.175 1.00 0.00 C ATOM 0 H THR A 76 -1.085 -7.783 -4.008 1.00 0.00 H new ATOM 0 HA THR A 76 -0.941 -8.323 -6.867 1.00 0.00 H new ATOM 0 HB THR A 76 -2.312 -10.399 -5.202 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.293 -11.588 -5.091 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.608 -11.852 -7.071 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.496 -10.421 -7.648 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.723 -10.486 -7.792 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.598 -8.275 -6.896 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.976 -7.799 -6.924 1.00 0.00 C ATOM 1129 C VAL A 77 -5.794 -8.505 -5.842 1.00 0.00 C ATOM 1130 O VAL A 77 -6.184 -9.663 -5.994 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.628 -8.021 -8.306 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -5.398 -9.445 -8.790 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -7.115 -7.697 -8.259 1.00 0.00 C ATOM 0 H VAL A 77 -3.305 -8.784 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.962 -6.726 -6.730 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.156 -7.343 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.866 -9.578 -9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.327 -9.633 -8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.835 -10.146 -8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.554 -7.860 -9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.605 -8.343 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.251 -6.655 -7.969 1.00 0.00 H new ATOM 1143 N VAL A 78 -6.024 -7.804 -4.735 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.766 -8.363 -3.610 1.00 0.00 C ATOM 1145 C VAL A 78 -7.937 -7.474 -3.201 1.00 0.00 C ATOM 1146 O VAL A 78 -8.042 -6.328 -3.633 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.849 -8.531 -2.384 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -5.016 -9.795 -2.496 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.955 -7.311 -2.226 1.00 0.00 C ATOM 0 H VAL A 78 -5.706 -6.845 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.146 -9.330 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.476 -8.622 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.378 -9.889 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.675 -10.661 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.396 -9.744 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.311 -7.442 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.340 -7.193 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.572 -6.423 -2.091 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.797 -8.009 -2.336 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.944 -7.262 -1.834 1.00 0.00 C ATOM 1161 C ASP A 79 -9.504 -6.391 -0.665 1.00 0.00 C ATOM 1162 O ASP A 79 -9.171 -6.900 0.405 1.00 0.00 O ATOM 1163 CB ASP A 79 -11.054 -8.216 -1.387 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.921 -8.678 -2.544 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -12.800 -7.903 -2.972 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -11.719 -9.816 -3.016 1.00 0.00 O ATOM 0 H ASP A 79 -8.719 -8.958 -1.969 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.335 -6.632 -2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.609 -9.084 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.679 -7.720 -0.644 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.480 -5.083 -0.878 1.00 0.00 N ATOM 1172 CA ILE A 80 -9.050 -4.154 0.159 1.00 0.00 C ATOM 1173 C ILE A 80 -10.231 -3.494 0.864 1.00 0.00 C ATOM 1174 O ILE A 80 -11.366 -3.551 0.390 1.00 0.00 O ATOM 1175 CB ILE A 80 -8.124 -3.065 -0.421 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.927 -1.877 -0.964 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -7.244 -3.655 -1.514 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.416 -0.535 -0.483 1.00 0.00 C ATOM 0 H ILE A 80 -9.752 -4.641 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.499 -4.742 0.893 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.491 -2.696 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.901 -1.898 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.970 -1.987 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.594 -2.878 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.635 -4.457 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.872 -4.053 -2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.030 0.261 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.468 -0.495 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.382 -0.404 -0.802 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.942 -2.862 1.996 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.956 -2.169 2.781 1.00 0.00 C ATOM 1192 C ILE A 81 -10.372 -0.907 3.401 1.00 0.00 C ATOM 1193 O ILE A 81 -9.263 -0.927 3.930 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.528 -3.065 3.900 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.515 -4.131 4.316 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.825 -3.713 3.446 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.542 -4.433 5.796 1.00 0.00 C ATOM 0 H ILE A 81 -9.004 -2.816 2.393 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.767 -1.909 2.101 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.735 -2.438 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.714 -5.048 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.514 -3.800 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.217 -4.342 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.553 -2.939 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.637 -4.324 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.800 -5.197 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.314 -3.526 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.532 -4.793 6.076 1.00 0.00 H new ATOM 1209 N SER A 82 -11.117 0.190 3.333 1.00 0.00 N ATOM 1210 CA SER A 82 -10.651 1.456 3.889 1.00 0.00 C ATOM 1211 C SER A 82 -11.002 1.569 5.369 1.00 0.00 C ATOM 1212 O SER A 82 -11.733 0.737 5.907 1.00 0.00 O ATOM 1213 CB SER A 82 -11.247 2.632 3.116 1.00 0.00 C ATOM 1214 OG SER A 82 -11.385 2.320 1.742 1.00 0.00 O ATOM 0 H SER A 82 -12.040 0.230 2.902 1.00 0.00 H new ATOM 0 HA SER A 82 -9.566 1.484 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.220 2.890 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.609 3.508 3.231 1.00 0.00 H new ATOM 0 HG SER A 82 -11.770 3.087 1.269 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.454 2.590 6.022 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.687 2.816 7.451 1.00 0.00 C ATOM 1222 C ARG A 83 -12.165 2.661 7.832 1.00 0.00 C ATOM 1223 O ARG A 83 -12.483 2.194 8.924 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.197 4.209 7.853 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.186 5.323 7.545 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.495 6.544 6.959 1.00 0.00 C ATOM 1227 NE ARG A 83 -10.641 7.719 7.814 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.440 8.744 7.529 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -12.162 8.740 6.416 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.517 9.776 8.359 1.00 0.00 N ATOM 0 H ARG A 83 -9.842 3.279 5.584 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.124 2.054 7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.981 4.213 8.921 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.259 4.416 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.937 4.959 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.711 5.605 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.436 6.328 6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.911 6.758 5.975 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.100 7.756 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.106 7.949 5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.773 9.528 6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.964 9.784 9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.130 10.562 8.140 1.00 0.00 H new ATOM 1244 N SER A 84 -13.060 3.073 6.937 1.00 0.00 N ATOM 1245 CA SER A 84 -14.496 2.996 7.201 1.00 0.00 C ATOM 1246 C SER A 84 -15.095 1.682 6.703 1.00 0.00 C ATOM 1247 O SER A 84 -16.208 1.316 7.081 1.00 0.00 O ATOM 1248 CB SER A 84 -15.214 4.176 6.545 1.00 0.00 C ATOM 1249 OG SER A 84 -16.591 3.899 6.361 1.00 0.00 O ATOM 0 H SER A 84 -12.818 3.462 6.026 1.00 0.00 H new ATOM 0 HA SER A 84 -14.635 3.037 8.281 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.099 5.065 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.753 4.396 5.582 1.00 0.00 H new ATOM 0 HG SER A 84 -17.027 4.670 5.941 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.357 0.983 5.851 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.838 -0.274 5.313 1.00 0.00 C ATOM 1257 C GLY A 85 -15.243 -0.147 3.861 1.00 0.00 C ATOM 1258 O GLY A 85 -16.353 0.284 3.553 1.00 0.00 O ATOM 0 H GLY A 85 -13.433 1.264 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.060 -1.031 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.690 -0.618 5.899 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.335 -0.513 2.966 1.00 0.00 N ATOM 1263 CA GLU A 86 -14.596 -0.426 1.536 1.00 0.00 C ATOM 1264 C GLU A 86 -14.203 -1.718 0.826 1.00 0.00 C ATOM 1265 O GLU A 86 -13.204 -1.764 0.110 1.00 0.00 O ATOM 1266 CB GLU A 86 -13.828 0.755 0.941 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.148 1.028 -0.518 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.325 1.971 -0.691 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -15.325 3.044 -0.053 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -16.246 1.634 -1.465 1.00 0.00 O ATOM 0 H GLU A 86 -13.411 -0.873 3.205 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.665 -0.273 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.048 1.649 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.759 0.566 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.271 1.454 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.365 0.086 -1.021 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.000 -2.765 1.025 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.733 -4.051 0.396 1.00 0.00 C ATOM 1279 C LYS A 87 -14.817 -3.928 -1.122 1.00 0.00 C ATOM 1280 O LYS A 87 -15.898 -4.016 -1.704 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.724 -5.104 0.895 1.00 0.00 C ATOM 1282 CG LYS A 87 -15.250 -5.855 2.127 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.857 -5.277 3.396 1.00 0.00 C ATOM 1284 CE LYS A 87 -15.696 -6.225 4.574 1.00 0.00 C ATOM 1285 NZ LYS A 87 -16.864 -7.137 4.717 1.00 0.00 N ATOM 0 H LYS A 87 -15.832 -2.746 1.615 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.724 -4.364 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.674 -4.618 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.913 -5.820 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.519 -6.908 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.163 -5.808 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.381 -4.324 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.915 -5.073 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.789 -6.815 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.572 -5.648 5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.715 -7.767 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.727 -6.576 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.968 -7.707 3.853 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.667 -3.721 -1.752 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.603 -3.579 -3.202 1.00 0.00 C ATOM 1301 C ILE A 88 -12.318 -4.185 -3.763 1.00 0.00 C ATOM 1302 O ILE A 88 -11.242 -4.009 -3.191 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.686 -2.100 -3.634 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.652 -1.265 -2.875 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -15.088 -1.556 -3.405 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -12.276 0.019 -3.583 1.00 0.00 C ATOM 0 H ILE A 88 -12.765 -3.648 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.463 -4.116 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.465 -2.036 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.045 -1.024 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.754 -1.864 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.128 -0.512 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.803 -2.136 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.339 -1.630 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.540 0.560 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.853 -0.215 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.164 0.638 -3.711 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.414 -4.902 -4.896 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.250 -5.523 -5.532 1.00 0.00 C ATOM 1320 C PRO A 89 -10.306 -4.483 -6.125 1.00 0.00 C ATOM 1321 O PRO A 89 -10.712 -3.654 -6.943 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.862 -6.389 -6.635 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.168 -5.743 -6.942 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.658 -5.154 -5.649 1.00 0.00 C ATOM 0 HA PRO A 89 -10.646 -6.090 -4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.220 -6.422 -7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.998 -7.418 -6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.051 -4.971 -7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.880 -6.470 -7.333 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.221 -4.235 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.317 -5.841 -5.118 1.00 0.00 H new ATOM 1332 N VAL A 90 -9.044 -4.528 -5.710 1.00 0.00 N ATOM 1333 CA VAL A 90 -8.044 -3.588 -6.200 1.00 0.00 C ATOM 1334 C VAL A 90 -6.729 -4.300 -6.495 1.00 0.00 C ATOM 1335 O VAL A 90 -6.465 -5.380 -5.971 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.787 -2.453 -5.188 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -7.091 -1.279 -5.861 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -9.087 -2.001 -4.538 1.00 0.00 C ATOM 0 H VAL A 90 -8.690 -5.206 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.439 -3.155 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.132 -2.840 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.919 -0.490 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.136 -1.608 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.719 -0.897 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.880 -1.200 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.771 -1.638 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.543 -2.841 -4.014 1.00 0.00 H new ATOM 1348 N SER A 91 -5.906 -3.679 -7.330 1.00 0.00 N ATOM 1349 CA SER A 91 -4.611 -4.243 -7.692 1.00 0.00 C ATOM 1350 C SER A 91 -3.491 -3.538 -6.935 1.00 0.00 C ATOM 1351 O SER A 91 -3.386 -2.312 -6.973 1.00 0.00 O ATOM 1352 CB SER A 91 -4.380 -4.122 -9.198 1.00 0.00 C ATOM 1353 OG SER A 91 -5.000 -5.188 -9.897 1.00 0.00 O ATOM 0 H SER A 91 -6.112 -2.782 -7.771 1.00 0.00 H new ATOM 0 HA SER A 91 -4.608 -5.298 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.775 -3.171 -9.554 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.310 -4.120 -9.406 1.00 0.00 H new ATOM 0 HG SER A 91 -4.839 -5.086 -10.858 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.656 -4.315 -6.253 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.545 -3.748 -5.497 1.00 0.00 C ATOM 1361 C VAL A 92 -0.212 -4.308 -5.971 1.00 0.00 C ATOM 1362 O VAL A 92 -0.090 -5.498 -6.252 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.696 -4.018 -3.985 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.458 -3.556 -3.228 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -2.945 -3.341 -3.443 1.00 0.00 C ATOM 0 H VAL A 92 -2.726 -5.332 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.564 -2.672 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.800 -5.093 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.586 -3.756 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.415 -4.095 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.316 -2.486 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.034 -3.543 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.875 -2.265 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.823 -3.729 -3.960 1.00 0.00 H new ATOM 1375 N TRP A 93 0.787 -3.438 -6.051 1.00 0.00 N ATOM 1376 CA TRP A 93 2.119 -3.842 -6.480 1.00 0.00 C ATOM 1377 C TRP A 93 3.189 -3.079 -5.709 1.00 0.00 C ATOM 1378 O TRP A 93 3.297 -1.857 -5.819 1.00 0.00 O ATOM 1379 CB TRP A 93 2.306 -3.644 -7.993 1.00 0.00 C ATOM 1380 CG TRP A 93 1.404 -2.612 -8.604 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.044 -2.673 -8.731 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.805 -1.370 -9.194 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.424 -1.541 -9.352 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.638 -0.727 -9.650 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.038 -0.738 -9.378 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.669 0.515 -10.275 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.068 0.494 -10.001 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.889 1.109 -10.443 1.00 0.00 C ATOM 0 H TRP A 93 0.699 -2.447 -5.824 1.00 0.00 H new ATOM 0 HA TRP A 93 2.225 -4.905 -6.265 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.341 -3.362 -8.184 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.138 -4.597 -8.494 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.573 -3.492 -8.392 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.402 -1.339 -9.558 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.951 -1.205 -9.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.238 0.993 -10.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 4.015 0.991 -10.150 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.945 2.073 -10.927 1.00 0.00 H new ATOM 1399 N MET A 94 3.970 -3.810 -4.920 1.00 0.00 N ATOM 1400 CA MET A 94 5.030 -3.207 -4.118 1.00 0.00 C ATOM 1401 C MET A 94 6.380 -3.331 -4.812 1.00 0.00 C ATOM 1402 O MET A 94 6.621 -4.278 -5.561 1.00 0.00 O ATOM 1403 CB MET A 94 5.093 -3.864 -2.740 1.00 0.00 C ATOM 1404 CG MET A 94 4.811 -2.907 -1.593 1.00 0.00 C ATOM 1405 SD MET A 94 4.772 -3.733 0.009 1.00 0.00 S ATOM 1406 CE MET A 94 5.091 -2.358 1.111 1.00 0.00 C ATOM 0 H MET A 94 3.889 -4.822 -4.818 1.00 0.00 H new ATOM 0 HA MET A 94 4.799 -2.148 -4.000 1.00 0.00 H new ATOM 0 HB2 MET A 94 4.374 -4.682 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A 94 6.081 -4.302 -2.601 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.575 -2.130 -1.578 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.855 -2.412 -1.765 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.001 -2.551 1.679 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.214 -1.445 0.528 1.00 0.00 H new ATOM 0 HE3 MET A 94 4.253 -2.240 1.797 1.00 0.00 H new ATOM 1416 N LYS A 95 7.254 -2.364 -4.559 1.00 0.00 N ATOM 1417 CA LYS A 95 8.582 -2.357 -5.161 1.00 0.00 C ATOM 1418 C LYS A 95 9.611 -1.753 -4.209 1.00 0.00 C ATOM 1419 O LYS A 95 9.616 -0.545 -3.970 1.00 0.00 O ATOM 1420 CB LYS A 95 8.563 -1.573 -6.474 1.00 0.00 C ATOM 1421 CG LYS A 95 7.802 -0.260 -6.385 1.00 0.00 C ATOM 1422 CD LYS A 95 6.780 -0.131 -7.503 1.00 0.00 C ATOM 1423 CE LYS A 95 7.148 0.985 -8.467 1.00 0.00 C ATOM 1424 NZ LYS A 95 6.664 0.707 -9.847 1.00 0.00 N ATOM 0 H LYS A 95 7.067 -1.574 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 95 8.867 -3.389 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.589 -1.369 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.114 -2.192 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.298 -0.195 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.504 0.573 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.711 -1.074 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.796 0.064 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.722 1.924 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.231 1.111 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.477 1.605 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.388 0.172 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.788 0.149 -9.802 1.00 0.00 H new ATOM 1438 N ARG A 96 10.483 -2.601 -3.677 1.00 0.00 N ATOM 1439 CA ARG A 96 11.523 -2.158 -2.760 1.00 0.00 C ATOM 1440 C ARG A 96 12.553 -1.295 -3.484 1.00 0.00 C ATOM 1441 O ARG A 96 13.419 -1.803 -4.196 1.00 0.00 O ATOM 1442 CB ARG A 96 12.210 -3.360 -2.110 1.00 0.00 C ATOM 1443 CG ARG A 96 12.453 -4.519 -3.064 1.00 0.00 C ATOM 1444 CD ARG A 96 11.755 -5.785 -2.593 1.00 0.00 C ATOM 1445 NE ARG A 96 11.108 -6.495 -3.693 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.534 -7.658 -4.175 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.607 -8.243 -3.659 1.00 0.00 N ATOM 1448 NH2 ARG A 96 10.887 -8.240 -5.176 1.00 0.00 N ATOM 0 H ARG A 96 10.489 -3.603 -3.867 1.00 0.00 H new ATOM 0 HA ARG A 96 11.054 -1.557 -1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.164 -3.039 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.599 -3.709 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.095 -4.254 -4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.524 -4.703 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.481 -6.442 -2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.011 -5.529 -1.839 1.00 0.00 H new ATOM 0 HE ARG A 96 10.281 -6.074 -4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.109 -7.800 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.930 -9.136 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.061 -7.795 -5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.215 -9.133 -5.545 1.00 0.00 H new ATOM 1462 N MET A 97 12.454 0.013 -3.283 1.00 0.00 N ATOM 1463 CA MET A 97 13.373 0.965 -3.896 1.00 0.00 C ATOM 1464 C MET A 97 13.996 1.836 -2.816 1.00 0.00 C ATOM 1465 O MET A 97 13.670 1.686 -1.645 1.00 0.00 O ATOM 1466 CB MET A 97 12.642 1.829 -4.928 1.00 0.00 C ATOM 1467 CG MET A 97 11.865 2.989 -4.323 1.00 0.00 C ATOM 1468 SD MET A 97 10.784 3.799 -5.516 1.00 0.00 S ATOM 1469 CE MET A 97 11.980 4.677 -6.518 1.00 0.00 C ATOM 0 H MET A 97 11.740 0.442 -2.695 1.00 0.00 H new ATOM 0 HA MET A 97 14.162 0.418 -4.412 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.369 2.223 -5.638 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.954 1.199 -5.493 1.00 0.00 H new ATOM 0 HG2 MET A 97 11.268 2.624 -3.487 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.566 3.720 -3.920 1.00 0.00 H new ATOM 0 HE1 MET A 97 11.459 5.284 -7.258 1.00 0.00 H new ATOM 0 HE2 MET A 97 12.585 5.322 -5.881 1.00 0.00 H new ATOM 0 HE3 MET A 97 12.625 3.960 -7.026 1.00 0.00 H new ATOM 1479 N ARG A 98 14.896 2.731 -3.196 1.00 0.00 N ATOM 1480 CA ARG A 98 15.551 3.595 -2.226 1.00 0.00 C ATOM 1481 C ARG A 98 14.732 4.850 -1.943 1.00 0.00 C ATOM 1482 O ARG A 98 14.112 4.969 -0.888 1.00 0.00 O ATOM 1483 CB ARG A 98 16.943 3.971 -2.725 1.00 0.00 C ATOM 1484 CG ARG A 98 17.965 2.859 -2.554 1.00 0.00 C ATOM 1485 CD ARG A 98 17.594 1.621 -3.355 1.00 0.00 C ATOM 1486 NE ARG A 98 18.773 0.875 -3.788 1.00 0.00 N ATOM 1487 CZ ARG A 98 19.272 -0.167 -3.128 1.00 0.00 C ATOM 1488 NH1 ARG A 98 18.699 -0.583 -2.006 1.00 0.00 N ATOM 1489 NH2 ARG A 98 20.346 -0.791 -3.590 1.00 0.00 N ATOM 0 H ARG A 98 15.188 2.877 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 98 15.638 3.044 -1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.883 4.240 -3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.286 4.856 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.946 3.215 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.045 2.598 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 98 16.958 0.975 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 98 17.011 1.915 -4.227 1.00 0.00 H new ATOM 0 HE ARG A 98 19.240 1.170 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 98 17.873 -0.104 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.084 -1.382 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.790 -0.472 -4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.729 -1.590 -3.084 1.00 0.00 H new ATOM 1503 N GLN A 99 14.745 5.791 -2.887 1.00 0.00 N ATOM 1504 CA GLN A 99 14.014 7.048 -2.734 1.00 0.00 C ATOM 1505 C GLN A 99 14.575 7.856 -1.565 1.00 0.00 C ATOM 1506 O GLN A 99 14.056 8.921 -1.224 1.00 0.00 O ATOM 1507 CB GLN A 99 12.520 6.781 -2.521 1.00 0.00 C ATOM 1508 CG GLN A 99 11.632 7.976 -2.840 1.00 0.00 C ATOM 1509 CD GLN A 99 10.383 7.592 -3.612 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.230 7.678 -2.956 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.452 7.223 -4.784 1.00 0.00 N flip ATOM 0 H GLN A 99 15.254 5.706 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 99 14.137 7.626 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.218 5.939 -3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.357 6.485 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.343 8.466 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.202 8.702 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.358 7.171 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.603 6.969 -5.289 1.00 0.00 H new ATOM 1520 N GLU A 100 15.647 7.341 -0.962 1.00 0.00 N ATOM 1521 CA GLU A 100 16.300 7.996 0.166 1.00 0.00 C ATOM 1522 C GLU A 100 17.528 7.201 0.608 1.00 0.00 C ATOM 1523 O GLU A 100 18.112 6.460 -0.183 1.00 0.00 O ATOM 1524 CB GLU A 100 15.321 8.156 1.336 1.00 0.00 C ATOM 1525 CG GLU A 100 14.914 6.842 1.983 1.00 0.00 C ATOM 1526 CD GLU A 100 14.558 6.998 3.448 1.00 0.00 C ATOM 1527 OE1 GLU A 100 13.402 7.371 3.741 1.00 0.00 O ATOM 1528 OE2 GLU A 100 15.435 6.747 4.302 1.00 0.00 O ATOM 0 H GLU A 100 16.083 6.463 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 100 16.623 8.987 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.775 8.796 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.426 8.667 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.060 6.427 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.730 6.126 1.886 1.00 0.00 H new ATOM 1535 N ARG A 101 17.916 7.357 1.871 1.00 0.00 N ATOM 1536 CA ARG A 101 19.074 6.650 2.407 1.00 0.00 C ATOM 1537 C ARG A 101 18.754 5.177 2.650 1.00 0.00 C ATOM 1538 O ARG A 101 19.609 4.308 2.474 1.00 0.00 O ATOM 1539 CB ARG A 101 19.536 7.304 3.711 1.00 0.00 C ATOM 1540 CG ARG A 101 20.469 8.486 3.503 1.00 0.00 C ATOM 1541 CD ARG A 101 21.885 8.032 3.185 1.00 0.00 C ATOM 1542 NE ARG A 101 22.404 7.111 4.190 1.00 0.00 N ATOM 1543 CZ ARG A 101 22.826 5.878 3.917 1.00 0.00 C ATOM 1544 NH1 ARG A 101 22.791 5.423 2.671 1.00 0.00 N ATOM 1545 NH2 ARG A 101 23.285 5.102 4.888 1.00 0.00 N ATOM 0 H ARG A 101 17.446 7.966 2.541 1.00 0.00 H new ATOM 0 HA ARG A 101 19.876 6.710 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 101 18.662 7.636 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.041 6.557 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.094 9.107 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 101 20.478 9.106 4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.899 7.548 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 101 22.538 8.902 3.119 1.00 0.00 H new ATOM 0 HE ARG A 101 22.446 7.430 5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 101 22.440 6.018 1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 101 23.115 4.478 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.316 5.449 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.608 4.158 4.677 1.00 0.00 H new ATOM 1559 N ARG A 102 17.518 4.905 3.059 1.00 0.00 N ATOM 1560 CA ARG A 102 17.082 3.539 3.329 1.00 0.00 C ATOM 1561 C ARG A 102 16.120 3.054 2.245 1.00 0.00 C ATOM 1562 O ARG A 102 15.300 3.823 1.742 1.00 0.00 O ATOM 1563 CB ARG A 102 16.427 3.465 4.719 1.00 0.00 C ATOM 1564 CG ARG A 102 15.140 2.649 4.779 1.00 0.00 C ATOM 1565 CD ARG A 102 13.967 3.495 5.252 1.00 0.00 C ATOM 1566 NE ARG A 102 14.352 4.414 6.320 1.00 0.00 N ATOM 1567 CZ ARG A 102 14.184 4.156 7.613 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.636 3.010 8.001 1.00 0.00 N ATOM 1569 NH2 ARG A 102 14.564 5.043 8.521 1.00 0.00 N ATOM 0 H ARG A 102 16.800 5.614 3.211 1.00 0.00 H new ATOM 0 HA ARG A 102 17.952 2.882 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.144 3.038 5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.214 4.479 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.921 2.240 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.275 1.803 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.567 4.063 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.168 2.843 5.605 1.00 0.00 H new ATOM 0 HE ARG A 102 14.774 5.305 6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.342 2.324 7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.509 2.816 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.986 5.924 8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 102 14.435 4.845 9.513 1.00 0.00 H new ATOM 1583 N LEU A 103 16.227 1.777 1.889 1.00 0.00 N ATOM 1584 CA LEU A 103 15.367 1.194 0.865 1.00 0.00 C ATOM 1585 C LEU A 103 13.901 1.251 1.292 1.00 0.00 C ATOM 1586 O LEU A 103 13.463 0.489 2.154 1.00 0.00 O ATOM 1587 CB LEU A 103 15.780 -0.253 0.583 1.00 0.00 C ATOM 1588 CG LEU A 103 14.720 -1.120 -0.096 1.00 0.00 C ATOM 1589 CD1 LEU A 103 15.187 -1.542 -1.478 1.00 0.00 C ATOM 1590 CD2 LEU A 103 14.400 -2.339 0.758 1.00 0.00 C ATOM 0 H LEU A 103 16.900 1.127 2.294 1.00 0.00 H new ATOM 0 HA LEU A 103 15.482 1.777 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 103 16.672 -0.242 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 103 16.059 -0.723 1.526 1.00 0.00 H new ATOM 0 HG LEU A 103 13.809 -0.531 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 103 14.421 -2.159 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.365 -0.656 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.111 -2.114 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 103 13.644 -2.945 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 103 15.304 -2.932 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.023 -2.015 1.728 1.00 0.00 H new ATOM 1602 N CYS A 104 13.155 2.165 0.682 1.00 0.00 N ATOM 1603 CA CYS A 104 11.742 2.334 0.990 1.00 0.00 C ATOM 1604 C CYS A 104 10.859 1.598 -0.019 1.00 0.00 C ATOM 1605 O CYS A 104 11.026 1.741 -1.230 1.00 0.00 O ATOM 1606 CB CYS A 104 11.386 3.821 1.009 1.00 0.00 C ATOM 1607 SG CYS A 104 12.222 4.763 2.305 1.00 0.00 S ATOM 0 H CYS A 104 13.508 2.802 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 104 11.558 1.904 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.635 4.256 0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.308 3.924 1.137 1.00 0.00 H new ATOM 0 HG CYS A 104 13.499 4.525 2.259 1.00 0.00 H new ATOM 1613 N CYS A 105 9.913 0.821 0.500 1.00 0.00 N ATOM 1614 CA CYS A 105 8.984 0.064 -0.333 1.00 0.00 C ATOM 1615 C CYS A 105 7.856 0.966 -0.829 1.00 0.00 C ATOM 1616 O CYS A 105 7.291 1.746 -0.062 1.00 0.00 O ATOM 1617 CB CYS A 105 8.392 -1.095 0.469 1.00 0.00 C ATOM 1618 SG CYS A 105 8.106 -2.594 -0.498 1.00 0.00 S ATOM 0 H CYS A 105 9.769 0.699 1.502 1.00 0.00 H new ATOM 0 HA CYS A 105 9.529 -0.327 -1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 105 9.063 -1.331 1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.448 -0.773 0.908 1.00 0.00 H new ATOM 0 HG CYS A 105 7.416 -3.440 0.207 1.00 0.00 H new ATOM 1624 N VAL A 106 7.527 0.852 -2.111 1.00 0.00 N ATOM 1625 CA VAL A 106 6.462 1.654 -2.700 1.00 0.00 C ATOM 1626 C VAL A 106 5.258 0.789 -3.054 1.00 0.00 C ATOM 1627 O VAL A 106 5.402 -0.264 -3.673 1.00 0.00 O ATOM 1628 CB VAL A 106 6.949 2.392 -3.966 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.782 3.032 -4.707 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.991 3.439 -3.600 1.00 0.00 C ATOM 0 H VAL A 106 7.983 0.212 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 106 6.167 2.391 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 106 7.409 1.661 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.152 3.545 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.072 2.260 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.286 3.749 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.325 3.951 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.553 4.163 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.842 2.954 -3.122 1.00 0.00 H new ATOM 1640 N VAL A 107 4.071 1.241 -2.661 1.00 0.00 N ATOM 1641 CA VAL A 107 2.838 0.514 -2.937 1.00 0.00 C ATOM 1642 C VAL A 107 1.904 1.365 -3.801 1.00 0.00 C ATOM 1643 O VAL A 107 1.743 2.562 -3.560 1.00 0.00 O ATOM 1644 CB VAL A 107 2.133 0.103 -1.617 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.904 0.957 -1.339 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.758 -1.370 -1.638 1.00 0.00 C ATOM 0 H VAL A 107 3.938 2.112 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 107 3.090 -0.395 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 107 2.844 0.273 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.441 0.636 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.199 2.003 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.191 0.845 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.265 -1.633 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.081 -1.561 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.658 -1.973 -1.756 1.00 0.00 H new ATOM 1656 N VAL A 108 1.298 0.750 -4.811 1.00 0.00 N ATOM 1657 CA VAL A 108 0.389 1.467 -5.700 1.00 0.00 C ATOM 1658 C VAL A 108 -0.933 0.727 -5.843 1.00 0.00 C ATOM 1659 O VAL A 108 -0.965 -0.452 -6.192 1.00 0.00 O ATOM 1660 CB VAL A 108 1.004 1.683 -7.096 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.380 2.895 -7.770 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.515 1.840 -7.002 1.00 0.00 C ATOM 0 H VAL A 108 1.418 -0.238 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 108 0.211 2.441 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 108 0.792 0.803 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.826 3.033 -8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.694 2.740 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.560 3.782 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.928 1.991 -7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.753 2.700 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.948 0.941 -6.563 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.025 1.425 -5.547 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.355 0.841 -5.612 1.00 0.00 C ATOM 1674 C LEU A 109 -4.128 1.339 -6.828 1.00 0.00 C ATOM 1675 O LEU A 109 -4.343 2.540 -6.994 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.100 1.191 -4.330 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.180 1.621 -3.190 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -3.933 2.447 -2.165 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -2.537 0.404 -2.551 1.00 0.00 C ATOM 0 H LEU A 109 -2.011 2.403 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.263 -0.241 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.808 1.994 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.683 0.327 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.390 2.251 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.254 2.740 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.337 3.339 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.750 1.856 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.883 0.722 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.313 -0.252 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.953 -0.133 -3.298 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.552 0.403 -7.674 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.307 0.739 -8.875 1.00 0.00 C ATOM 1693 C GLU A 110 -6.608 -0.059 -8.932 1.00 0.00 C ATOM 1694 O GLU A 110 -6.585 -1.287 -9.025 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.470 0.464 -10.127 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.683 1.481 -11.236 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.849 1.185 -12.467 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -2.661 0.832 -12.308 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -4.383 1.306 -13.589 1.00 0.00 O ATOM 0 H GLU A 110 -4.384 -0.595 -7.548 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.549 1.801 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.415 0.453 -9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.712 -0.529 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.737 1.497 -11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.435 2.475 -10.864 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.765 0.628 -8.875 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.075 -0.031 -8.917 1.00 0.00 C ATOM 1708 C PRO A 111 -9.230 -0.930 -10.140 1.00 0.00 C ATOM 1709 O PRO A 111 -8.835 -0.560 -11.246 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.065 1.137 -8.985 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.332 2.293 -8.398 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.888 2.094 -8.763 1.00 0.00 C ATOM 0 HA PRO A 111 -9.228 -0.685 -8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.366 1.340 -10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.973 0.919 -8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.709 3.236 -8.794 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.460 2.328 -7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.638 2.591 -9.700 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.221 2.497 -8.000 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.812 -2.108 -9.937 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.018 -3.050 -11.029 1.00 0.00 C ATOM 1722 C VAL A 112 -11.229 -2.652 -11.867 1.00 0.00 C ATOM 1723 O VAL A 112 -12.129 -1.963 -11.385 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.212 -4.488 -10.509 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.051 -4.893 -9.614 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.534 -4.618 -9.769 1.00 0.00 C ATOM 0 H VAL A 112 -10.148 -2.431 -9.030 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.121 -3.021 -11.648 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.235 -5.162 -11.365 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.205 -5.911 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.121 -4.844 -10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.994 -4.214 -8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.651 -5.641 -9.410 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.546 -3.933 -8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.354 -4.374 -10.444 1.00 0.00 H new