USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 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 94 MET CE :methyl -134:sc= -0.03 (180deg=-3.24!) USER MOD Set 1.2: A 105 CYS SG : rot -133:sc= -0.618! USER MOD Set 2.1: A 82 SER OG : rot 180:sc= -0.28 USER MOD Set 2.2: A 84 SER OG : rot -50:sc= 0.00184 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -2:sc= 0.832 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 25 ASN : amide:sc= 0.0285 K(o=0.029,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 84:sc= -6.23! USER MOD Single : A 34 TYR OH : rot 104:sc= 0.298! USER MOD Single : A 35 SER OG : rot -113:sc= -0.254 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 :FLIP amide:sc= -0.177 F(o=-1.2,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -155:sc= -2.03! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.575 F(o=-3!,f=-0.58) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 53 SER OG : rot 180:sc= -0.191 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -69:sc= 0.177 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 143:sc= -0.721 (180deg=-1.55) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.073 F(o=-1.9!,f=-0.073) USER MOD Single : A 104 CYS SG : rot 30:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -2.578 9.566 -8.814 1.00 0.00 N ATOM 113 CA LYS A 9 -2.343 8.130 -8.718 1.00 0.00 C ATOM 114 C LYS A 9 -2.171 7.702 -7.264 1.00 0.00 C ATOM 115 O LYS A 9 -1.694 8.472 -6.426 1.00 0.00 O ATOM 116 CB LYS A 9 -1.102 7.745 -9.529 1.00 0.00 C ATOM 117 CG LYS A 9 -0.694 6.289 -9.378 1.00 0.00 C ATOM 118 CD LYS A 9 -0.692 5.568 -10.717 1.00 0.00 C ATOM 119 CE LYS A 9 -2.057 4.983 -11.036 1.00 0.00 C ATOM 120 NZ LYS A 9 -2.164 4.572 -12.464 1.00 0.00 N ATOM 0 HA LYS A 9 -3.212 7.614 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.290 7.952 -10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.270 8.379 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.299 6.233 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.379 5.787 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.399 6.262 -11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.052 4.771 -10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.242 4.121 -10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.829 5.719 -10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.110 4.178 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.013 5.399 -13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.444 3.851 -12.673 1.00 0.00 H new ATOM 134 N ALA A 10 -2.573 6.470 -6.963 1.00 0.00 N ATOM 135 CA ALA A 10 -2.457 5.952 -5.608 1.00 0.00 C ATOM 136 C ALA A 10 -1.024 5.535 -5.314 1.00 0.00 C ATOM 137 O ALA A 10 -0.649 4.380 -5.508 1.00 0.00 O ATOM 138 CB ALA A 10 -3.410 4.786 -5.396 1.00 0.00 C ATOM 0 H ALA A 10 -2.978 5.818 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.730 6.747 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.308 4.413 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.435 5.119 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.171 3.989 -6.100 1.00 0.00 H new ATOM 144 N ILE A 11 -0.225 6.488 -4.848 1.00 0.00 N ATOM 145 CA ILE A 11 1.172 6.226 -4.530 1.00 0.00 C ATOM 146 C ILE A 11 1.406 6.246 -3.026 1.00 0.00 C ATOM 147 O ILE A 11 1.288 7.290 -2.383 1.00 0.00 O ATOM 148 CB ILE A 11 2.104 7.259 -5.195 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.980 7.187 -6.719 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.548 7.032 -4.765 1.00 0.00 C ATOM 151 CD1 ILE A 11 2.022 8.542 -7.392 1.00 0.00 C ATOM 0 H ILE A 11 -0.522 7.450 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 11 1.403 5.234 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 11 1.802 8.255 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.787 6.569 -7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.044 6.691 -6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.191 7.770 -5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.625 7.132 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.862 6.031 -5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.929 8.416 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.199 9.156 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.969 9.032 -7.164 1.00 0.00 H new ATOM 163 N PHE A 12 1.760 5.092 -2.474 1.00 0.00 N ATOM 164 CA PHE A 12 2.033 4.982 -1.049 1.00 0.00 C ATOM 165 C PHE A 12 3.511 4.682 -0.827 1.00 0.00 C ATOM 166 O PHE A 12 3.976 3.578 -1.105 1.00 0.00 O ATOM 167 CB PHE A 12 1.179 3.875 -0.423 1.00 0.00 C ATOM 168 CG PHE A 12 -0.084 4.366 0.229 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.183 4.715 -0.536 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.170 4.471 1.609 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.347 5.162 0.062 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.331 4.919 2.213 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.420 5.265 1.438 1.00 0.00 C ATOM 0 H PHE A 12 1.864 4.220 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 12 1.781 5.929 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.918 3.152 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.777 3.347 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.131 4.637 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.679 4.200 2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.198 5.430 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.386 4.998 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.328 5.616 1.907 1.00 0.00 H new ATOM 183 N THR A 13 4.242 5.670 -0.322 1.00 0.00 N ATOM 184 CA THR A 13 5.665 5.502 -0.061 1.00 0.00 C ATOM 185 C THR A 13 5.894 5.127 1.393 1.00 0.00 C ATOM 186 O THR A 13 5.507 5.864 2.296 1.00 0.00 O ATOM 187 CB THR A 13 6.462 6.776 -0.389 1.00 0.00 C ATOM 188 OG1 THR A 13 6.039 7.309 -1.649 1.00 0.00 O ATOM 189 CG2 THR A 13 7.953 6.484 -0.431 1.00 0.00 C ATOM 0 H THR A 13 3.874 6.592 -0.086 1.00 0.00 H new ATOM 0 HA THR A 13 6.019 4.701 -0.710 1.00 0.00 H new ATOM 0 HB THR A 13 6.273 7.509 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.550 8.121 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.497 7.399 -0.665 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.277 6.107 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.156 5.736 -1.197 1.00 0.00 H new ATOM 197 N VAL A 14 6.500 3.965 1.611 1.00 0.00 N ATOM 198 CA VAL A 14 6.752 3.482 2.962 1.00 0.00 C ATOM 199 C VAL A 14 8.149 2.883 3.096 1.00 0.00 C ATOM 200 O VAL A 14 8.870 2.741 2.113 1.00 0.00 O ATOM 201 CB VAL A 14 5.711 2.414 3.366 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.369 2.731 2.736 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.164 1.016 2.962 1.00 0.00 C ATOM 0 H VAL A 14 6.825 3.342 0.871 1.00 0.00 H new ATOM 0 HA VAL A 14 6.673 4.344 3.625 1.00 0.00 H new ATOM 0 HB VAL A 14 5.612 2.434 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.642 1.972 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.029 3.709 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.470 2.740 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.409 0.288 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.299 0.976 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.108 0.783 3.455 1.00 0.00 H new ATOM 213 N ASP A 15 8.507 2.517 4.323 1.00 0.00 N ATOM 214 CA ASP A 15 9.802 1.906 4.598 1.00 0.00 C ATOM 215 C ASP A 15 9.653 0.386 4.543 1.00 0.00 C ATOM 216 O ASP A 15 8.560 -0.132 4.735 1.00 0.00 O ATOM 217 CB ASP A 15 10.312 2.352 5.973 1.00 0.00 C ATOM 218 CG ASP A 15 11.405 1.458 6.520 1.00 0.00 C ATOM 219 OD1 ASP A 15 12.327 1.106 5.756 1.00 0.00 O ATOM 220 OD2 ASP A 15 11.339 1.111 7.717 1.00 0.00 O ATOM 0 H ASP A 15 7.915 2.634 5.146 1.00 0.00 H new ATOM 0 HA ASP A 15 10.529 2.223 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.688 3.373 5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.479 2.368 6.675 1.00 0.00 H new ATOM 225 N ALA A 16 10.731 -0.329 4.256 1.00 0.00 N ATOM 226 CA ALA A 16 10.657 -1.783 4.161 1.00 0.00 C ATOM 227 C ALA A 16 10.865 -2.456 5.509 1.00 0.00 C ATOM 228 O ALA A 16 10.483 -3.611 5.697 1.00 0.00 O ATOM 229 CB ALA A 16 11.663 -2.297 3.142 1.00 0.00 C ATOM 0 H ALA A 16 11.656 0.065 4.087 1.00 0.00 H new ATOM 0 HA ALA A 16 9.651 -2.039 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.597 -3.383 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.445 -1.865 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.669 -2.011 3.448 1.00 0.00 H new ATOM 235 N LYS A 17 11.457 -1.737 6.447 1.00 0.00 N ATOM 236 CA LYS A 17 11.691 -2.286 7.773 1.00 0.00 C ATOM 237 C LYS A 17 10.381 -2.373 8.549 1.00 0.00 C ATOM 238 O LYS A 17 10.015 -3.435 9.056 1.00 0.00 O ATOM 239 CB LYS A 17 12.702 -1.427 8.535 1.00 0.00 C ATOM 240 CG LYS A 17 13.110 -2.010 9.878 1.00 0.00 C ATOM 241 CD LYS A 17 13.472 -0.916 10.872 1.00 0.00 C ATOM 242 CE LYS A 17 12.241 -0.385 11.589 1.00 0.00 C ATOM 243 NZ LYS A 17 12.530 0.871 12.333 1.00 0.00 N ATOM 0 H LYS A 17 11.783 -0.779 6.318 1.00 0.00 H new ATOM 0 HA LYS A 17 12.100 -3.291 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.592 -1.298 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.277 -0.436 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.294 -2.612 10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.961 -2.677 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.180 -1.307 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.971 -0.099 10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.449 -0.203 10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.871 -1.140 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.665 1.200 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.268 0.692 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.859 1.600 11.669 1.00 0.00 H new ATOM 257 N THR A 18 9.692 -1.241 8.659 1.00 0.00 N ATOM 258 CA THR A 18 8.439 -1.196 9.406 1.00 0.00 C ATOM 259 C THR A 18 7.207 -1.001 8.532 1.00 0.00 C ATOM 260 O THR A 18 6.080 -1.117 9.011 1.00 0.00 O ATOM 261 CB THR A 18 8.468 -0.112 10.499 1.00 0.00 C ATOM 262 OG1 THR A 18 7.172 0.024 11.096 1.00 0.00 O ATOM 263 CG2 THR A 18 8.907 1.227 9.922 1.00 0.00 C ATOM 0 H THR A 18 9.975 -0.352 8.246 1.00 0.00 H new ATOM 0 HA THR A 18 8.355 -2.180 9.867 1.00 0.00 H new ATOM 0 HB THR A 18 9.186 -0.418 11.260 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.543 -0.583 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.920 1.977 10.713 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.906 1.130 9.497 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.210 1.533 9.142 1.00 0.00 H new ATOM 271 N THR A 19 7.423 -0.696 7.266 1.00 0.00 N ATOM 272 CA THR A 19 6.319 -0.477 6.329 1.00 0.00 C ATOM 273 C THR A 19 5.598 0.833 6.630 1.00 0.00 C ATOM 274 O THR A 19 4.617 1.177 5.970 1.00 0.00 O ATOM 275 CB THR A 19 5.297 -1.631 6.352 1.00 0.00 C ATOM 276 OG1 THR A 19 5.933 -2.845 6.773 1.00 0.00 O ATOM 277 CG2 THR A 19 4.675 -1.833 4.978 1.00 0.00 C ATOM 0 H THR A 19 8.351 -0.593 6.855 1.00 0.00 H new ATOM 0 HA THR A 19 6.764 -0.431 5.335 1.00 0.00 H new ATOM 0 HB THR A 19 4.508 -1.370 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.275 -3.571 6.786 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.958 -2.653 5.020 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.165 -0.920 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.456 -2.072 4.256 1.00 0.00 H new ATOM 285 N GLU A 20 6.097 1.561 7.624 1.00 0.00 N ATOM 286 CA GLU A 20 5.511 2.837 8.011 1.00 0.00 C ATOM 287 C GLU A 20 5.449 3.776 6.815 1.00 0.00 C ATOM 288 O GLU A 20 6.479 4.218 6.306 1.00 0.00 O ATOM 289 CB GLU A 20 6.328 3.482 9.135 1.00 0.00 C ATOM 290 CG GLU A 20 5.636 3.448 10.488 1.00 0.00 C ATOM 291 CD GLU A 20 6.604 3.605 11.643 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.380 4.585 11.638 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.587 2.752 12.553 1.00 0.00 O ATOM 0 H GLU A 20 6.909 1.287 8.177 1.00 0.00 H new ATOM 0 HA GLU A 20 4.499 2.654 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.288 2.971 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.539 4.518 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.892 4.244 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.100 2.505 10.594 1.00 0.00 H new ATOM 300 N ILE A 21 4.237 4.064 6.362 1.00 0.00 N ATOM 301 CA ILE A 21 4.037 4.938 5.214 1.00 0.00 C ATOM 302 C ILE A 21 4.674 6.304 5.430 1.00 0.00 C ATOM 303 O ILE A 21 4.167 7.124 6.196 1.00 0.00 O ATOM 304 CB ILE A 21 2.544 5.125 4.887 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.744 3.873 5.260 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.379 5.438 3.410 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.655 4.125 6.280 1.00 0.00 C ATOM 0 H ILE A 21 3.375 3.704 6.773 1.00 0.00 H new ATOM 0 HA ILE A 21 4.523 4.446 4.371 1.00 0.00 H new ATOM 0 HB ILE A 21 2.159 5.958 5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.295 3.458 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.428 3.120 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.321 5.570 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.919 6.354 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.778 4.615 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.133 3.192 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.099 4.510 7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.052 4.854 5.885 1.00 0.00 H new ATOM 319 N LEU A 22 5.783 6.542 4.738 1.00 0.00 N ATOM 320 CA LEU A 22 6.488 7.813 4.840 1.00 0.00 C ATOM 321 C LEU A 22 5.563 8.967 4.457 1.00 0.00 C ATOM 322 O LEU A 22 5.592 10.026 5.084 1.00 0.00 O ATOM 323 CB LEU A 22 7.736 7.823 3.945 1.00 0.00 C ATOM 324 CG LEU A 22 8.377 6.456 3.681 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.518 6.592 2.684 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.876 5.833 4.976 1.00 0.00 C ATOM 0 H LEU A 22 6.212 5.871 4.101 1.00 0.00 H new ATOM 0 HA LEU A 22 6.805 7.940 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.470 8.270 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.483 8.472 4.402 1.00 0.00 H new ATOM 0 HG LEU A 22 7.618 5.798 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.964 5.614 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.135 6.993 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.273 7.267 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.327 4.864 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.620 6.487 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.040 5.701 5.662 1.00 0.00 H new ATOM 338 N VAL A 23 4.732 8.749 3.434 1.00 0.00 N ATOM 339 CA VAL A 23 3.788 9.767 2.976 1.00 0.00 C ATOM 340 C VAL A 23 2.946 9.260 1.803 1.00 0.00 C ATOM 341 O VAL A 23 3.323 8.311 1.117 1.00 0.00 O ATOM 342 CB VAL A 23 4.512 11.074 2.567 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.547 11.249 1.054 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.850 12.272 3.231 1.00 0.00 C ATOM 0 H VAL A 23 4.695 7.876 2.908 1.00 0.00 H new ATOM 0 HA VAL A 23 3.128 9.983 3.817 1.00 0.00 H new ATOM 0 HB VAL A 23 5.544 11.005 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.063 12.177 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.075 10.409 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.528 11.286 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.368 13.184 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.807 12.330 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.900 12.161 4.314 1.00 0.00 H new ATOM 354 N ALA A 24 1.814 9.920 1.573 1.00 0.00 N ATOM 355 CA ALA A 24 0.919 9.569 0.475 1.00 0.00 C ATOM 356 C ALA A 24 0.336 10.838 -0.141 1.00 0.00 C ATOM 357 O ALA A 24 0.384 11.903 0.471 1.00 0.00 O ATOM 358 CB ALA A 24 -0.186 8.637 0.955 1.00 0.00 C ATOM 0 H ALA A 24 1.493 10.707 2.137 1.00 0.00 H new ATOM 0 HA ALA A 24 1.488 9.039 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.841 8.389 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.256 7.724 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.765 9.131 1.736 1.00 0.00 H new ATOM 364 N ASN A 25 -0.182 10.739 -1.361 1.00 0.00 N ATOM 365 CA ASN A 25 -0.729 11.914 -2.041 1.00 0.00 C ATOM 366 C ASN A 25 -2.254 11.911 -2.100 1.00 0.00 C ATOM 367 O ASN A 25 -2.916 11.053 -1.523 1.00 0.00 O ATOM 368 CB ASN A 25 -0.156 12.019 -3.457 1.00 0.00 C ATOM 369 CG ASN A 25 -0.779 11.018 -4.408 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.826 9.819 -4.126 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.263 11.502 -5.546 1.00 0.00 N ATOM 0 H ASN A 25 -0.236 9.872 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.433 12.782 -1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.318 13.027 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.922 11.861 -3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.694 10.874 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.204 12.501 -5.741 1.00 0.00 H new ATOM 378 N ASP A 26 -2.795 12.901 -2.805 1.00 0.00 N ATOM 379 CA ASP A 26 -4.241 13.052 -2.946 1.00 0.00 C ATOM 380 C ASP A 26 -4.892 11.759 -3.420 1.00 0.00 C ATOM 381 O ASP A 26 -5.600 11.110 -2.656 1.00 0.00 O ATOM 382 CB ASP A 26 -4.566 14.186 -3.918 1.00 0.00 C ATOM 383 CG ASP A 26 -3.629 15.368 -3.764 1.00 0.00 C ATOM 384 OD1 ASP A 26 -3.372 15.773 -2.611 1.00 0.00 O ATOM 385 OD2 ASP A 26 -3.153 15.890 -4.794 1.00 0.00 O ATOM 0 H ASP A 26 -2.251 13.614 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.645 13.295 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.509 13.812 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.592 14.516 -3.756 1.00 0.00 H new ATOM 390 N LYS A 27 -4.674 11.402 -4.685 1.00 0.00 N ATOM 391 CA LYS A 27 -5.272 10.195 -5.251 1.00 0.00 C ATOM 392 C LYS A 27 -5.197 9.014 -4.287 1.00 0.00 C ATOM 393 O LYS A 27 -6.230 8.507 -3.853 1.00 0.00 O ATOM 394 CB LYS A 27 -4.604 9.834 -6.576 1.00 0.00 C ATOM 395 CG LYS A 27 -5.444 8.910 -7.444 1.00 0.00 C ATOM 396 CD LYS A 27 -6.376 9.691 -8.358 1.00 0.00 C ATOM 397 CE LYS A 27 -7.652 10.101 -7.640 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.748 10.426 -8.593 1.00 0.00 N ATOM 0 H LYS A 27 -4.090 11.929 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.325 10.411 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.394 10.749 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.645 9.357 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.789 8.280 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.030 8.246 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.864 10.580 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.627 9.084 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.972 9.294 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.451 10.967 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.599 10.700 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.453 11.213 -9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.958 9.592 -9.178 1.00 0.00 H new ATOM 412 N ALA A 28 -3.980 8.575 -3.955 1.00 0.00 N ATOM 413 CA ALA A 28 -3.794 7.448 -3.037 1.00 0.00 C ATOM 414 C ALA A 28 -4.742 7.524 -1.841 1.00 0.00 C ATOM 415 O ALA A 28 -5.682 6.739 -1.729 1.00 0.00 O ATOM 416 CB ALA A 28 -2.352 7.399 -2.556 1.00 0.00 C ATOM 0 H ALA A 28 -3.112 8.981 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.027 6.535 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.224 6.558 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.687 7.277 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.110 8.327 -2.037 1.00 0.00 H new ATOM 422 N CYS A 29 -4.481 8.475 -0.953 1.00 0.00 N ATOM 423 CA CYS A 29 -5.303 8.670 0.238 1.00 0.00 C ATOM 424 C CYS A 29 -6.782 8.755 -0.136 1.00 0.00 C ATOM 425 O CYS A 29 -7.643 8.271 0.596 1.00 0.00 O ATOM 426 CB CYS A 29 -4.855 9.939 0.955 1.00 0.00 C ATOM 427 SG CYS A 29 -3.061 10.132 1.031 1.00 0.00 S ATOM 0 H CYS A 29 -3.702 9.128 -1.035 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.177 7.817 0.905 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.284 10.803 0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.255 9.934 1.969 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.635 10.664 -0.076 1.00 0.00 H new ATOM 433 N GLY A 30 -7.061 9.357 -1.288 1.00 0.00 N ATOM 434 CA GLY A 30 -8.434 9.472 -1.750 1.00 0.00 C ATOM 435 C GLY A 30 -9.061 8.106 -1.937 1.00 0.00 C ATOM 436 O GLY A 30 -10.211 7.884 -1.558 1.00 0.00 O ATOM 0 H GLY A 30 -6.363 9.767 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.016 10.048 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.460 10.020 -2.692 1.00 0.00 H new ATOM 440 N LEU A 31 -8.281 7.188 -2.504 1.00 0.00 N ATOM 441 CA LEU A 31 -8.727 5.820 -2.726 1.00 0.00 C ATOM 442 C LEU A 31 -9.303 5.270 -1.423 1.00 0.00 C ATOM 443 O LEU A 31 -10.457 4.844 -1.373 1.00 0.00 O ATOM 444 CB LEU A 31 -7.543 4.975 -3.230 1.00 0.00 C ATOM 445 CG LEU A 31 -7.727 3.450 -3.285 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.196 2.810 -2.012 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.181 3.061 -3.529 1.00 0.00 C ATOM 0 H LEU A 31 -7.329 7.372 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.508 5.786 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.288 5.319 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.684 5.187 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.152 3.075 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.332 1.730 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.135 3.037 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.739 3.204 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.267 1.975 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.802 3.451 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.515 3.479 -4.479 1.00 0.00 H new ATOM 459 N LEU A 32 -8.500 5.317 -0.365 1.00 0.00 N ATOM 460 CA LEU A 32 -8.947 4.859 0.946 1.00 0.00 C ATOM 461 C LEU A 32 -9.796 5.932 1.613 1.00 0.00 C ATOM 462 O LEU A 32 -11.021 5.945 1.489 1.00 0.00 O ATOM 463 CB LEU A 32 -7.771 4.541 1.865 1.00 0.00 C ATOM 464 CG LEU A 32 -6.680 3.652 1.288 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.670 4.479 0.506 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.001 2.907 2.419 1.00 0.00 C ATOM 0 H LEU A 32 -7.542 5.665 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.529 3.951 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.316 5.482 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.160 4.064 2.764 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.125 2.935 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.898 3.824 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.175 4.992 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.212 5.214 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.217 2.267 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.562 3.623 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.735 2.295 2.943 1.00 0.00 H new ATOM 478 N GLY A 33 -9.122 6.831 2.328 1.00 0.00 N ATOM 479 CA GLY A 33 -9.809 7.907 3.019 1.00 0.00 C ATOM 480 C GLY A 33 -8.903 8.622 4.002 1.00 0.00 C ATOM 481 O GLY A 33 -9.372 9.300 4.915 1.00 0.00 O ATOM 0 H GLY A 33 -8.108 6.832 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.188 8.622 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.672 7.504 3.549 1.00 0.00 H new ATOM 485 N TYR A 34 -7.598 8.464 3.808 1.00 0.00 N ATOM 486 CA TYR A 34 -6.604 9.090 4.674 1.00 0.00 C ATOM 487 C TYR A 34 -5.973 10.292 3.977 1.00 0.00 C ATOM 488 O TYR A 34 -6.609 10.952 3.153 1.00 0.00 O ATOM 489 CB TYR A 34 -5.506 8.084 5.029 1.00 0.00 C ATOM 490 CG TYR A 34 -5.948 6.967 5.946 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.876 6.024 5.528 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.428 6.856 7.229 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.276 5.001 6.365 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.824 5.837 8.073 1.00 0.00 C ATOM 495 CZ TYR A 34 -6.748 4.912 7.636 1.00 0.00 C ATOM 496 OH TYR A 34 -7.146 3.896 8.473 1.00 0.00 O ATOM 0 H TYR A 34 -7.202 7.904 3.053 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.104 9.422 5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.119 7.648 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.681 8.618 5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.292 6.091 4.533 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.702 7.578 7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.999 4.274 6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.412 5.765 9.069 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.444 3.213 8.515 1.00 0.00 H new ATOM 506 N SER A 35 -4.706 10.542 4.292 1.00 0.00 N ATOM 507 CA SER A 35 -3.948 11.629 3.687 1.00 0.00 C ATOM 508 C SER A 35 -2.507 11.594 4.164 1.00 0.00 C ATOM 509 O SER A 35 -2.186 10.930 5.146 1.00 0.00 O ATOM 510 CB SER A 35 -4.565 12.989 3.976 1.00 0.00 C ATOM 511 OG SER A 35 -4.505 13.305 5.356 1.00 0.00 O ATOM 0 H SER A 35 -4.177 9.997 4.973 1.00 0.00 H new ATOM 0 HA SER A 35 -3.975 11.482 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.043 13.755 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.604 12.996 3.645 1.00 0.00 H new ATOM 0 HG SER A 35 -5.412 13.319 5.728 1.00 0.00 H new ATOM 517 N SER A 36 -1.644 12.302 3.451 1.00 0.00 N ATOM 518 CA SER A 36 -0.222 12.353 3.785 1.00 0.00 C ATOM 519 C SER A 36 0.003 12.529 5.288 1.00 0.00 C ATOM 520 O SER A 36 0.943 11.970 5.849 1.00 0.00 O ATOM 521 CB SER A 36 0.457 13.495 3.029 1.00 0.00 C ATOM 522 OG SER A 36 -0.002 14.755 3.487 1.00 0.00 O ATOM 0 H SER A 36 -1.902 12.853 2.632 1.00 0.00 H new ATOM 0 HA SER A 36 0.217 11.401 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.537 13.429 3.159 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.257 13.398 1.962 1.00 0.00 H new ATOM 0 HG SER A 36 0.449 15.468 2.989 1.00 0.00 H new ATOM 528 N GLN A 37 -0.851 13.323 5.929 1.00 0.00 N ATOM 529 CA GLN A 37 -0.723 13.582 7.363 1.00 0.00 C ATOM 530 C GLN A 37 -1.674 12.723 8.200 1.00 0.00 C ATOM 531 O GLN A 37 -1.566 12.692 9.426 1.00 0.00 O ATOM 532 CB GLN A 37 -0.987 15.062 7.648 1.00 0.00 C ATOM 533 CG GLN A 37 -2.310 15.562 7.090 1.00 0.00 C ATOM 534 CD GLN A 37 -2.573 17.017 7.421 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.021 17.919 6.791 1.00 0.00 O ATOM 536 NE2 GLN A 37 -3.422 17.253 8.415 1.00 0.00 N ATOM 0 H GLN A 37 -1.636 13.797 5.482 1.00 0.00 H new ATOM 0 HA GLN A 37 0.295 13.317 7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.972 15.224 8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.176 15.655 7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.315 15.434 6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.121 14.951 7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.857 16.474 8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.639 18.213 8.683 1.00 0.00 H new ATOM 545 N ASP A 38 -2.615 12.050 7.546 1.00 0.00 N ATOM 546 CA ASP A 38 -3.590 11.224 8.259 1.00 0.00 C ATOM 547 C ASP A 38 -3.227 9.739 8.248 1.00 0.00 C ATOM 548 O ASP A 38 -3.827 8.950 8.981 1.00 0.00 O ATOM 549 CB ASP A 38 -4.983 11.416 7.657 1.00 0.00 C ATOM 550 CG ASP A 38 -5.643 12.698 8.126 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.361 13.131 9.263 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.444 13.270 7.357 1.00 0.00 O ATOM 0 H ASP A 38 -2.725 12.058 6.532 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.582 11.553 9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.908 11.426 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.612 10.567 7.925 1.00 0.00 H new ATOM 557 N LEU A 39 -2.260 9.351 7.424 1.00 0.00 N ATOM 558 CA LEU A 39 -1.857 7.947 7.345 1.00 0.00 C ATOM 559 C LEU A 39 -0.372 7.772 7.656 1.00 0.00 C ATOM 560 O LEU A 39 0.098 6.655 7.868 1.00 0.00 O ATOM 561 CB LEU A 39 -2.187 7.373 5.963 1.00 0.00 C ATOM 562 CG LEU A 39 -1.496 8.059 4.784 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.195 7.355 4.443 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.419 8.088 3.574 1.00 0.00 C ATOM 0 H LEU A 39 -1.744 9.978 6.807 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.420 7.396 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.919 6.316 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.265 7.430 5.813 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.265 9.085 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.281 7.858 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.470 7.382 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.401 6.318 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.914 8.579 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.678 7.068 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.327 8.637 3.822 1.00 0.00 H new ATOM 576 N ILE A 40 0.363 8.879 7.685 1.00 0.00 N ATOM 577 CA ILE A 40 1.793 8.836 7.974 1.00 0.00 C ATOM 578 C ILE A 40 2.048 8.403 9.416 1.00 0.00 C ATOM 579 O ILE A 40 1.316 8.787 10.329 1.00 0.00 O ATOM 580 CB ILE A 40 2.460 10.205 7.716 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.992 10.069 7.705 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.002 11.233 8.744 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.647 10.217 9.065 1.00 0.00 C ATOM 0 H ILE A 40 -0.006 9.814 7.513 1.00 0.00 H new ATOM 0 HA ILE A 40 2.236 8.102 7.301 1.00 0.00 H new ATOM 0 HB ILE A 40 2.149 10.559 6.733 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.255 9.094 7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.406 10.821 7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.485 12.189 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.920 11.352 8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.273 10.893 9.744 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.727 10.107 8.963 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.420 11.202 9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.266 9.449 9.738 1.00 0.00 H new ATOM 595 N GLY A 41 3.091 7.603 9.611 1.00 0.00 N ATOM 596 CA GLY A 41 3.427 7.128 10.942 1.00 0.00 C ATOM 597 C GLY A 41 2.944 5.715 11.199 1.00 0.00 C ATOM 598 O GLY A 41 3.441 5.036 12.097 1.00 0.00 O ATOM 0 H GLY A 41 3.711 7.274 8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.508 7.168 11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.990 7.797 11.683 1.00 0.00 H new ATOM 602 N GLN A 42 1.972 5.270 10.409 1.00 0.00 N ATOM 603 CA GLN A 42 1.420 3.928 10.556 1.00 0.00 C ATOM 604 C GLN A 42 1.778 3.060 9.354 1.00 0.00 C ATOM 605 O GLN A 42 2.587 3.450 8.516 1.00 0.00 O ATOM 606 CB GLN A 42 -0.101 3.990 10.718 1.00 0.00 C ATOM 607 CG GLN A 42 -0.594 5.280 11.356 1.00 0.00 C ATOM 608 CD GLN A 42 -2.072 5.520 11.123 1.00 0.00 C ATOM 609 OE1 GLN A 42 -2.448 5.720 9.864 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -2.869 5.526 12.062 1.00 0.00 N flip ATOM 0 H GLN A 42 1.550 5.819 9.660 1.00 0.00 H new ATOM 0 HA GLN A 42 1.854 3.481 11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.567 3.878 9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.428 3.146 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.400 5.248 12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.026 6.119 10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.537 5.368 13.014 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.861 5.689 11.888 1.00 0.00 H new ATOM 619 N LYS A 43 1.164 1.883 9.273 1.00 0.00 N ATOM 620 CA LYS A 43 1.409 0.962 8.170 1.00 0.00 C ATOM 621 C LYS A 43 0.196 0.901 7.252 1.00 0.00 C ATOM 622 O LYS A 43 -0.917 0.637 7.705 1.00 0.00 O ATOM 623 CB LYS A 43 1.733 -0.436 8.703 1.00 0.00 C ATOM 624 CG LYS A 43 2.637 -0.429 9.925 1.00 0.00 C ATOM 625 CD LYS A 43 1.942 -1.040 11.134 1.00 0.00 C ATOM 626 CE LYS A 43 2.138 -2.545 11.186 1.00 0.00 C ATOM 627 NZ LYS A 43 0.973 -3.235 11.809 1.00 0.00 N ATOM 0 H LYS A 43 0.491 1.545 9.961 1.00 0.00 H new ATOM 0 HA LYS A 43 2.264 1.327 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.802 -0.945 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.210 -1.015 7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.549 -0.985 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.935 0.594 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.333 -0.589 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.877 -0.812 11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.289 -2.927 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.041 -2.774 11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.145 -4.260 11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.844 -2.889 12.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.115 -3.037 11.255 1.00 0.00 H new ATOM 641 N LEU A 44 0.407 1.181 5.969 1.00 0.00 N ATOM 642 CA LEU A 44 -0.688 1.185 5.002 1.00 0.00 C ATOM 643 C LEU A 44 -1.490 -0.108 5.047 1.00 0.00 C ATOM 644 O LEU A 44 -2.700 -0.095 4.841 1.00 0.00 O ATOM 645 CB LEU A 44 -0.176 1.428 3.581 1.00 0.00 C ATOM 646 CG LEU A 44 1.146 0.752 3.218 1.00 0.00 C ATOM 647 CD1 LEU A 44 0.976 -0.752 3.052 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.688 1.359 1.943 1.00 0.00 C ATOM 0 H LEU A 44 1.321 1.407 5.576 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.348 2.006 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.938 1.090 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.063 2.502 3.436 1.00 0.00 H new ATOM 0 HG LEU A 44 1.851 0.916 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.935 -1.200 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.613 -1.182 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.257 -0.951 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.631 0.878 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.970 1.211 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.854 2.426 2.090 1.00 0.00 H new ATOM 660 N THR A 45 -0.810 -1.218 5.308 1.00 0.00 N ATOM 661 CA THR A 45 -1.464 -2.518 5.368 1.00 0.00 C ATOM 662 C THR A 45 -2.622 -2.509 6.357 1.00 0.00 C ATOM 663 O THR A 45 -3.581 -3.266 6.208 1.00 0.00 O ATOM 664 CB THR A 45 -0.469 -3.618 5.766 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.115 -3.485 7.148 1.00 0.00 O ATOM 666 CG2 THR A 45 0.777 -3.534 4.909 1.00 0.00 C ATOM 0 H THR A 45 0.195 -1.243 5.481 1.00 0.00 H new ATOM 0 HA THR A 45 -1.851 -2.727 4.371 1.00 0.00 H new ATOM 0 HB THR A 45 -0.942 -4.587 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.764 -3.890 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.474 -4.319 5.202 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.507 -3.661 3.861 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.248 -2.561 5.047 1.00 0.00 H new ATOM 674 N GLN A 46 -2.533 -1.636 7.352 1.00 0.00 N ATOM 675 CA GLN A 46 -3.584 -1.523 8.354 1.00 0.00 C ATOM 676 C GLN A 46 -4.901 -1.168 7.680 1.00 0.00 C ATOM 677 O GLN A 46 -5.982 -1.421 8.210 1.00 0.00 O ATOM 678 CB GLN A 46 -3.221 -0.463 9.397 1.00 0.00 C ATOM 679 CG GLN A 46 -2.491 -1.026 10.606 1.00 0.00 C ATOM 680 CD GLN A 46 -2.176 0.034 11.644 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.490 1.090 11.222 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -2.544 -0.095 12.811 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.748 -0.999 7.486 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.689 -2.482 8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.597 0.298 8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.132 0.033 9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.100 -1.806 11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.563 -1.496 10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.069 -0.923 13.092 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.324 0.626 13.498 1.00 0.00 H new ATOM 691 N PHE A 47 -4.790 -0.563 6.508 1.00 0.00 N ATOM 692 CA PHE A 47 -5.954 -0.146 5.742 1.00 0.00 C ATOM 693 C PHE A 47 -6.136 -1.015 4.499 1.00 0.00 C ATOM 694 O PHE A 47 -6.571 -0.533 3.454 1.00 0.00 O ATOM 695 CB PHE A 47 -5.824 1.326 5.338 1.00 0.00 C ATOM 696 CG PHE A 47 -4.804 2.104 6.131 1.00 0.00 C ATOM 697 CD1 PHE A 47 -4.867 2.153 7.513 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.789 2.788 5.485 1.00 0.00 C ATOM 699 CE1 PHE A 47 -3.932 2.868 8.238 1.00 0.00 C ATOM 700 CE2 PHE A 47 -2.853 3.507 6.204 1.00 0.00 C ATOM 701 CZ PHE A 47 -2.922 3.547 7.581 1.00 0.00 C ATOM 0 H PHE A 47 -3.897 -0.348 6.063 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.834 -0.267 6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.561 1.378 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.796 1.807 5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.655 1.627 8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.728 2.760 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.990 2.896 9.316 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.067 4.038 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.190 4.107 8.144 1.00 0.00 H new ATOM 711 N PHE A 48 -5.809 -2.301 4.622 1.00 0.00 N ATOM 712 CA PHE A 48 -5.945 -3.243 3.509 1.00 0.00 C ATOM 713 C PHE A 48 -6.308 -4.639 4.014 1.00 0.00 C ATOM 714 O PHE A 48 -5.860 -5.055 5.083 1.00 0.00 O ATOM 715 CB PHE A 48 -4.652 -3.318 2.685 1.00 0.00 C ATOM 716 CG PHE A 48 -4.267 -2.022 2.028 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.086 -1.437 1.078 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.081 -1.391 2.360 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.731 -0.246 0.472 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.719 -0.202 1.759 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.545 0.372 0.814 1.00 0.00 C ATOM 0 H PHE A 48 -5.448 -2.716 5.481 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.749 -2.875 2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.838 -3.639 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.767 -4.082 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.015 -1.917 0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.430 -1.834 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.380 0.200 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.790 0.279 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.264 1.303 0.343 1.00 0.00 H new ATOM 731 N LEU A 49 -7.115 -5.341 3.216 1.00 0.00 N ATOM 732 CA LEU A 49 -7.577 -6.707 3.506 1.00 0.00 C ATOM 733 C LEU A 49 -7.203 -7.196 4.906 1.00 0.00 C ATOM 734 O LEU A 49 -6.186 -7.864 5.090 1.00 0.00 O ATOM 735 CB LEU A 49 -7.049 -7.700 2.454 1.00 0.00 C ATOM 736 CG LEU A 49 -5.731 -7.329 1.750 1.00 0.00 C ATOM 737 CD1 LEU A 49 -5.921 -6.130 0.832 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.622 -7.063 2.757 1.00 0.00 C ATOM 0 H LEU A 49 -7.474 -4.974 2.335 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.665 -6.664 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.915 -8.668 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.817 -7.828 1.691 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.433 -8.182 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.975 -5.889 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.667 -6.367 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.257 -5.274 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.705 -6.804 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.911 -6.238 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.454 -7.957 3.358 1.00 0.00 H new ATOM 750 N ARG A 50 -8.048 -6.874 5.883 1.00 0.00 N ATOM 751 CA ARG A 50 -7.836 -7.291 7.272 1.00 0.00 C ATOM 752 C ARG A 50 -6.499 -6.794 7.819 1.00 0.00 C ATOM 753 O ARG A 50 -5.433 -7.246 7.401 1.00 0.00 O ATOM 754 CB ARG A 50 -7.914 -8.814 7.387 1.00 0.00 C ATOM 755 CG ARG A 50 -8.418 -9.297 8.738 1.00 0.00 C ATOM 756 CD ARG A 50 -8.017 -10.740 9.000 1.00 0.00 C ATOM 757 NE ARG A 50 -9.180 -11.603 9.189 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.360 -12.752 8.544 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.452 -13.180 7.675 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.447 -13.478 8.767 1.00 0.00 N ATOM 0 H ARG A 50 -8.893 -6.321 5.739 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.628 -6.841 7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.571 -9.196 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.925 -9.235 7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.018 -8.659 9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.504 -9.208 8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.423 -11.109 8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.383 -10.786 9.886 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.895 -11.308 9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.613 -12.627 7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.594 -14.062 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.148 -13.156 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.583 -14.359 8.271 1.00 0.00 H new ATOM 774 N SER A 51 -6.571 -5.863 8.764 1.00 0.00 N ATOM 775 CA SER A 51 -5.378 -5.294 9.385 1.00 0.00 C ATOM 776 C SER A 51 -4.935 -6.101 10.602 1.00 0.00 C ATOM 777 O SER A 51 -3.916 -5.792 11.219 1.00 0.00 O ATOM 778 CB SER A 51 -5.640 -3.850 9.802 1.00 0.00 C ATOM 779 OG SER A 51 -6.996 -3.665 10.176 1.00 0.00 O ATOM 0 H SER A 51 -7.449 -5.484 9.119 1.00 0.00 H new ATOM 0 HA SER A 51 -4.578 -5.326 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.990 -3.585 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.392 -3.180 8.979 1.00 0.00 H new ATOM 0 HG SER A 51 -7.138 -2.732 10.440 1.00 0.00 H new ATOM 785 N ASP A 52 -5.713 -7.114 10.962 1.00 0.00 N ATOM 786 CA ASP A 52 -5.400 -7.930 12.131 1.00 0.00 C ATOM 787 C ASP A 52 -4.305 -8.960 11.853 1.00 0.00 C ATOM 788 O ASP A 52 -3.185 -8.831 12.350 1.00 0.00 O ATOM 789 CB ASP A 52 -6.663 -8.640 12.624 1.00 0.00 C ATOM 790 CG ASP A 52 -7.077 -8.190 14.012 1.00 0.00 C ATOM 791 OD1 ASP A 52 -6.735 -7.051 14.395 1.00 0.00 O ATOM 792 OD2 ASP A 52 -7.745 -8.976 14.715 1.00 0.00 O ATOM 0 H ASP A 52 -6.560 -7.390 10.466 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.023 -7.256 12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.478 -8.451 11.926 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.492 -9.716 12.630 1.00 0.00 H new ATOM 797 N SER A 53 -4.636 -9.994 11.085 1.00 0.00 N ATOM 798 CA SER A 53 -3.680 -11.059 10.776 1.00 0.00 C ATOM 799 C SER A 53 -2.943 -10.832 9.458 1.00 0.00 C ATOM 800 O SER A 53 -1.715 -10.788 9.426 1.00 0.00 O ATOM 801 CB SER A 53 -4.396 -12.409 10.741 1.00 0.00 C ATOM 802 OG SER A 53 -5.454 -12.400 9.798 1.00 0.00 O ATOM 0 H SER A 53 -5.557 -10.119 10.665 1.00 0.00 H new ATOM 0 HA SER A 53 -2.931 -11.051 11.568 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.685 -13.195 10.487 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.789 -12.642 11.731 1.00 0.00 H new ATOM 0 HG SER A 53 -5.895 -13.275 9.793 1.00 0.00 H new ATOM 808 N ASP A 54 -3.708 -10.732 8.372 1.00 0.00 N ATOM 809 CA ASP A 54 -3.158 -10.559 7.024 1.00 0.00 C ATOM 810 C ASP A 54 -1.899 -9.691 6.988 1.00 0.00 C ATOM 811 O ASP A 54 -0.840 -10.152 6.569 1.00 0.00 O ATOM 812 CB ASP A 54 -4.218 -9.959 6.101 1.00 0.00 C ATOM 813 CG ASP A 54 -4.429 -10.789 4.850 1.00 0.00 C ATOM 814 OD1 ASP A 54 -5.263 -11.718 4.888 1.00 0.00 O ATOM 815 OD2 ASP A 54 -3.762 -10.510 3.831 1.00 0.00 O ATOM 0 H ASP A 54 -4.727 -10.768 8.399 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.868 -11.552 6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.161 -9.874 6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.921 -8.949 5.818 1.00 0.00 H new ATOM 820 N VAL A 55 -2.023 -8.434 7.393 1.00 0.00 N ATOM 821 CA VAL A 55 -0.893 -7.507 7.371 1.00 0.00 C ATOM 822 C VAL A 55 0.346 -8.068 8.071 1.00 0.00 C ATOM 823 O VAL A 55 1.474 -7.789 7.663 1.00 0.00 O ATOM 824 CB VAL A 55 -1.266 -6.157 8.011 1.00 0.00 C ATOM 825 CG1 VAL A 55 -2.605 -5.674 7.487 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.290 -6.261 9.528 1.00 0.00 C ATOM 0 H VAL A 55 -2.893 -8.031 7.741 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.650 -7.360 6.319 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.503 -5.429 7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.854 -4.719 7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.549 -5.550 6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.376 -6.406 7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.556 -5.294 9.955 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.026 -7.006 9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.305 -6.558 9.888 1.00 0.00 H new ATOM 836 N VAL A 56 0.138 -8.843 9.128 1.00 0.00 N ATOM 837 CA VAL A 56 1.247 -9.420 9.881 1.00 0.00 C ATOM 838 C VAL A 56 1.925 -10.555 9.119 1.00 0.00 C ATOM 839 O VAL A 56 3.103 -10.841 9.334 1.00 0.00 O ATOM 840 CB VAL A 56 0.780 -9.947 11.251 1.00 0.00 C ATOM 841 CG1 VAL A 56 1.973 -10.243 12.150 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.158 -8.950 11.914 1.00 0.00 C ATOM 0 H VAL A 56 -0.786 -9.087 9.484 1.00 0.00 H new ATOM 0 HA VAL A 56 1.968 -8.616 10.028 1.00 0.00 H new ATOM 0 HB VAL A 56 0.235 -10.878 11.092 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.620 -10.614 13.112 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.605 -10.997 11.680 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.549 -9.330 12.302 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.478 -9.339 12.881 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.361 -8.002 12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.030 -8.793 11.279 1.00 0.00 H new ATOM 852 N GLU A 57 1.176 -11.204 8.235 1.00 0.00 N ATOM 853 CA GLU A 57 1.712 -12.317 7.451 1.00 0.00 C ATOM 854 C GLU A 57 2.338 -11.833 6.147 1.00 0.00 C ATOM 855 O GLU A 57 3.458 -12.213 5.806 1.00 0.00 O ATOM 856 CB GLU A 57 0.612 -13.338 7.145 1.00 0.00 C ATOM 857 CG GLU A 57 -0.642 -13.161 7.984 1.00 0.00 C ATOM 858 CD GLU A 57 -1.058 -14.437 8.689 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.476 -15.387 7.997 1.00 0.00 O ATOM 860 OE2 GLU A 57 -0.963 -14.486 9.933 1.00 0.00 O ATOM 0 H GLU A 57 0.199 -10.982 8.042 1.00 0.00 H new ATOM 0 HA GLU A 57 2.490 -12.792 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.345 -13.265 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.006 -14.341 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.471 -12.380 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.457 -12.821 7.345 1.00 0.00 H new ATOM 867 N ALA A 58 1.604 -11.003 5.414 1.00 0.00 N ATOM 868 CA ALA A 58 2.083 -10.477 4.142 1.00 0.00 C ATOM 869 C ALA A 58 3.359 -9.659 4.315 1.00 0.00 C ATOM 870 O ALA A 58 4.195 -9.599 3.412 1.00 0.00 O ATOM 871 CB ALA A 58 1.003 -9.633 3.480 1.00 0.00 C ATOM 0 H ALA A 58 0.674 -10.680 5.680 1.00 0.00 H new ATOM 0 HA ALA A 58 2.318 -11.326 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.374 -9.246 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.120 -10.247 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.740 -8.801 4.133 1.00 0.00 H new ATOM 1086 N PHE A 74 0.057 -9.320 -0.446 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.433 -7.950 -0.576 1.00 0.00 C ATOM 1088 C PHE A 74 0.035 -7.332 -1.894 1.00 0.00 C ATOM 1089 O PHE A 74 -0.609 -6.431 -2.427 1.00 0.00 O ATOM 1090 CB PHE A 74 0.031 -7.094 0.609 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.354 -5.640 0.499 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.642 -5.270 0.134 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.575 -4.642 0.760 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.991 -3.938 0.027 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.229 -3.310 0.652 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.054 -2.957 0.286 1.00 0.00 C ATOM 0 HA PHE A 74 -1.523 -7.978 -0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.390 -7.503 1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.115 -7.167 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.379 -6.033 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.580 -4.911 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.996 -3.664 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.963 -2.544 0.854 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.325 -1.915 0.202 1.00 0.00 H new ATOM 1106 N GLY A 75 1.154 -7.825 -2.417 1.00 0.00 N ATOM 1107 CA GLY A 75 1.681 -7.309 -3.670 1.00 0.00 C ATOM 1108 C GLY A 75 0.950 -7.866 -4.880 1.00 0.00 C ATOM 1109 O GLY A 75 1.564 -8.152 -5.909 1.00 0.00 O ATOM 0 H GLY A 75 1.706 -8.573 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.605 -6.222 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.740 -7.555 -3.744 1.00 0.00 H new ATOM 1113 N THR A 76 -0.363 -8.019 -4.750 1.00 0.00 N ATOM 1114 CA THR A 76 -1.194 -8.543 -5.828 1.00 0.00 C ATOM 1115 C THR A 76 -2.589 -7.925 -5.788 1.00 0.00 C ATOM 1116 O THR A 76 -2.969 -7.303 -4.797 1.00 0.00 O ATOM 1117 CB THR A 76 -1.324 -10.077 -5.744 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.132 -10.641 -5.187 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.576 -10.675 -7.122 1.00 0.00 C ATOM 0 H THR A 76 -0.878 -7.785 -3.901 1.00 0.00 H new ATOM 0 HA THR A 76 -0.704 -8.279 -6.765 1.00 0.00 H new ATOM 0 HB THR A 76 -2.172 -10.312 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.224 -11.615 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.664 -11.758 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.499 -10.266 -7.533 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.745 -10.429 -7.783 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.349 -8.100 -6.864 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.702 -7.563 -6.925 1.00 0.00 C ATOM 1129 C VAL A 77 -5.575 -8.248 -5.882 1.00 0.00 C ATOM 1130 O VAL A 77 -6.010 -9.385 -6.073 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.330 -7.756 -8.320 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.562 -6.877 -8.478 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.313 -7.460 -9.413 1.00 0.00 C ATOM 0 H VAL A 77 -3.053 -8.606 -7.699 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.643 -6.493 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.638 -8.797 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.991 -7.027 -9.469 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.298 -7.143 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.280 -5.831 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.776 -7.602 -10.389 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.969 -6.430 -9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.464 -8.136 -9.313 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.803 -7.562 -4.768 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.599 -8.115 -3.678 1.00 0.00 C ATOM 1145 C VAL A 78 -7.732 -7.185 -3.268 1.00 0.00 C ATOM 1146 O VAL A 78 -7.794 -6.032 -3.693 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.724 -8.371 -2.436 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.880 -9.620 -2.610 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.840 -7.163 -2.158 1.00 0.00 C ATOM 0 H VAL A 78 -5.448 -6.622 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.018 -9.050 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.382 -8.529 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.273 -9.776 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.531 -10.481 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.229 -9.501 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.226 -7.356 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.195 -6.979 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.465 -6.288 -1.980 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.609 -7.695 -2.409 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.728 -6.918 -1.897 1.00 0.00 C ATOM 1161 C ASP A 79 -9.274 -6.114 -0.689 1.00 0.00 C ATOM 1162 O ASP A 79 -8.957 -6.680 0.357 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.888 -7.838 -1.513 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.779 -8.173 -2.693 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.259 -8.258 -3.825 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.998 -8.352 -2.484 1.00 0.00 O ATOM 0 H ASP A 79 -8.564 -8.649 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.075 -6.238 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.491 -8.760 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.484 -7.360 -0.736 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.225 -4.796 -0.838 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.783 -3.930 0.245 1.00 0.00 C ATOM 1173 C ILE A 80 -9.960 -3.316 0.994 1.00 0.00 C ATOM 1174 O ILE A 80 -11.094 -3.335 0.519 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.873 -2.803 -0.283 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.698 -1.711 -0.970 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.833 -3.371 -1.239 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -7.882 -0.509 -1.393 1.00 0.00 C ATOM 0 H ILE A 80 -9.485 -4.306 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.219 -4.556 0.936 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.358 -2.351 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.186 -2.135 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.487 -1.384 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.197 -2.565 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.222 -4.107 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.335 -3.848 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.533 0.222 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.415 -0.060 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.110 -0.822 -2.095 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.671 -2.769 2.170 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.691 -2.140 3.000 1.00 0.00 C ATOM 1192 C ILE A 81 -10.168 -0.837 3.593 1.00 0.00 C ATOM 1193 O ILE A 81 -9.047 -0.780 4.095 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.141 -3.072 4.140 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -9.962 -3.908 4.640 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.278 -3.970 3.675 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -9.665 -3.715 6.110 1.00 0.00 C ATOM 0 H ILE A 81 -8.733 -2.749 2.571 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.549 -1.932 2.360 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.504 -2.461 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.170 -4.962 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.074 -3.652 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.584 -4.622 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.123 -3.356 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.942 -4.576 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.817 -4.338 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.425 -2.669 6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.538 -3.999 6.698 1.00 0.00 H new ATOM 1209 N SER A 82 -10.983 0.208 3.533 1.00 0.00 N ATOM 1210 CA SER A 82 -10.591 1.509 4.061 1.00 0.00 C ATOM 1211 C SER A 82 -10.979 1.643 5.529 1.00 0.00 C ATOM 1212 O SER A 82 -11.753 0.842 6.054 1.00 0.00 O ATOM 1213 CB SER A 82 -11.234 2.630 3.242 1.00 0.00 C ATOM 1214 OG SER A 82 -12.117 3.405 4.036 1.00 0.00 O ATOM 0 H SER A 82 -11.918 0.181 3.125 1.00 0.00 H new ATOM 0 HA SER A 82 -9.507 1.592 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.457 3.271 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.779 2.202 2.400 1.00 0.00 H new ATOM 0 HG SER A 82 -12.513 4.115 3.488 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.417 2.653 6.186 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.681 2.904 7.604 1.00 0.00 C ATOM 1222 C ARG A 83 -12.169 2.797 7.942 1.00 0.00 C ATOM 1223 O ARG A 83 -12.537 2.253 8.984 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.170 4.289 8.001 1.00 0.00 C ATOM 1225 CG ARG A 83 -10.900 5.429 7.308 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.033 6.672 7.213 1.00 0.00 C ATOM 1227 NE ARG A 83 -10.550 7.764 8.033 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.446 8.649 7.604 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -11.923 8.567 6.368 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.865 9.614 8.410 1.00 0.00 N ATOM 0 H ARG A 83 -9.771 3.316 5.758 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.152 2.136 8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.269 4.408 9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.107 4.355 7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.199 5.116 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.813 5.663 7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.018 6.431 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.975 6.995 6.174 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.205 7.853 8.989 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.603 7.825 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.610 9.246 6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.500 9.679 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.552 10.292 8.080 1.00 0.00 H new ATOM 1244 N SER A 84 -13.022 3.333 7.072 1.00 0.00 N ATOM 1245 CA SER A 84 -14.464 3.307 7.298 1.00 0.00 C ATOM 1246 C SER A 84 -15.081 1.999 6.818 1.00 0.00 C ATOM 1247 O SER A 84 -16.190 1.641 7.215 1.00 0.00 O ATOM 1248 CB SER A 84 -15.132 4.487 6.589 1.00 0.00 C ATOM 1249 OG SER A 84 -15.087 4.326 5.181 1.00 0.00 O ATOM 0 H SER A 84 -12.739 3.790 6.205 1.00 0.00 H new ATOM 0 HA SER A 84 -14.632 3.387 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.168 4.573 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.632 5.414 6.869 1.00 0.00 H new ATOM 0 HG SER A 84 -14.170 4.118 4.905 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.359 1.288 5.960 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.854 0.029 5.441 1.00 0.00 C ATOM 1257 C GLY A 85 -15.274 0.134 3.994 1.00 0.00 C ATOM 1258 O GLY A 85 -16.386 0.567 3.692 1.00 0.00 O ATOM 0 H GLY A 85 -13.439 1.562 5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.080 -0.732 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.702 -0.301 6.041 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.380 -0.258 3.098 1.00 0.00 N ATOM 1263 CA GLU A 86 -14.662 -0.199 1.676 1.00 0.00 C ATOM 1264 C GLU A 86 -14.159 -1.449 0.969 1.00 0.00 C ATOM 1265 O GLU A 86 -13.030 -1.488 0.479 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.025 1.044 1.067 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.422 2.339 1.759 1.00 0.00 C ATOM 1268 CD GLU A 86 -14.357 3.537 0.834 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -13.367 3.655 0.081 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -15.297 4.360 0.862 1.00 0.00 O ATOM 0 H GLU A 86 -13.455 -0.619 3.332 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.743 -0.146 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.941 0.941 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.303 1.105 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.434 2.242 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.765 2.507 2.612 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.005 -2.471 0.922 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.654 -3.729 0.273 1.00 0.00 C ATOM 1279 C LYS A 87 -14.711 -3.583 -1.243 1.00 0.00 C ATOM 1280 O LYS A 87 -15.788 -3.591 -1.839 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.590 -4.857 0.727 1.00 0.00 C ATOM 1282 CG LYS A 87 -16.966 -4.382 1.172 1.00 0.00 C ATOM 1283 CD LYS A 87 -16.968 -3.973 2.636 1.00 0.00 C ATOM 1284 CE LYS A 87 -18.312 -4.250 3.291 1.00 0.00 C ATOM 1285 NZ LYS A 87 -19.217 -3.068 3.224 1.00 0.00 N ATOM 0 H LYS A 87 -15.941 -2.453 1.327 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.635 -3.985 0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.710 -5.567 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.120 -5.396 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.277 -3.538 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.695 -5.177 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.185 -4.514 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.734 -2.912 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.787 -5.099 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.157 -4.530 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.122 -3.298 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.775 -2.264 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.386 -2.816 2.229 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.541 -3.449 -1.857 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.450 -3.298 -3.304 1.00 0.00 C ATOM 1301 C ILE A 88 -12.182 -3.945 -3.850 1.00 0.00 C ATOM 1302 O ILE A 88 -11.111 -3.827 -3.253 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.467 -1.813 -3.720 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.509 -1.004 -2.843 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -14.878 -1.250 -3.633 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -12.052 0.290 -3.481 1.00 0.00 C ATOM 0 H ILE A 88 -12.642 -3.442 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.323 -3.799 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.133 -1.739 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.999 -0.779 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.636 -1.615 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.870 -0.201 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.535 -1.811 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.241 -1.334 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.376 0.811 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.533 0.072 -4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.917 0.920 -3.685 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.281 -4.632 -5.003 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.130 -5.286 -5.625 1.00 0.00 C ATOM 1320 C PRO A 89 -10.165 -4.271 -6.225 1.00 0.00 C ATOM 1321 O PRO A 89 -10.537 -3.485 -7.098 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.760 -6.144 -6.722 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.027 -5.443 -7.067 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.515 -4.816 -5.789 1.00 0.00 C ATOM 0 HA PRO A 89 -10.541 -5.861 -4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.103 -6.225 -7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.951 -7.158 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.858 -4.686 -7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.763 -6.141 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.018 -3.867 -5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.228 -5.459 -5.273 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.922 -4.291 -5.755 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.908 -3.370 -6.249 1.00 0.00 C ATOM 1334 C VAL A 90 -6.598 -4.097 -6.523 1.00 0.00 C ATOM 1335 O VAL A 90 -6.316 -5.138 -5.930 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.645 -2.224 -5.249 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -6.990 -1.042 -5.950 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -8.935 -1.797 -4.564 1.00 0.00 C ATOM 0 H VAL A 90 -8.594 -4.934 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.292 -2.948 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.961 -2.590 -4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.812 -0.244 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.041 -1.357 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.647 -0.678 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.725 -0.988 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.648 -1.452 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.358 -2.644 -4.024 1.00 0.00 H new ATOM 1348 N SER A 91 -5.797 -3.535 -7.419 1.00 0.00 N ATOM 1349 CA SER A 91 -4.512 -4.119 -7.769 1.00 0.00 C ATOM 1350 C SER A 91 -3.396 -3.463 -6.968 1.00 0.00 C ATOM 1351 O SER A 91 -3.258 -2.240 -6.972 1.00 0.00 O ATOM 1352 CB SER A 91 -4.243 -3.963 -9.267 1.00 0.00 C ATOM 1353 OG SER A 91 -2.905 -4.310 -9.584 1.00 0.00 O ATOM 0 H SER A 91 -6.017 -2.673 -7.917 1.00 0.00 H new ATOM 0 HA SER A 91 -4.541 -5.182 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.929 -4.595 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.436 -2.934 -9.569 1.00 0.00 H new ATOM 0 HG SER A 91 -2.296 -3.639 -9.211 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.598 -4.276 -6.282 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.497 -3.755 -5.485 1.00 0.00 C ATOM 1361 C VAL A 92 -0.164 -4.337 -5.937 1.00 0.00 C ATOM 1362 O VAL A 92 -0.035 -5.544 -6.129 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.685 -4.047 -3.985 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.488 -3.541 -3.188 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -2.975 -3.420 -3.476 1.00 0.00 C ATOM 0 H VAL A 92 -2.694 -5.291 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.493 -2.676 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.754 -5.126 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.638 -3.756 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.417 -4.040 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.386 -2.465 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.091 -3.637 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.938 -2.341 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.821 -3.833 -4.025 1.00 0.00 H new ATOM 1375 N TRP A 93 0.824 -3.465 -6.094 1.00 0.00 N ATOM 1376 CA TRP A 93 2.154 -3.888 -6.507 1.00 0.00 C ATOM 1377 C TRP A 93 3.222 -3.093 -5.769 1.00 0.00 C ATOM 1378 O TRP A 93 3.379 -1.892 -5.985 1.00 0.00 O ATOM 1379 CB TRP A 93 2.343 -3.741 -8.025 1.00 0.00 C ATOM 1380 CG TRP A 93 1.317 -2.883 -8.705 1.00 0.00 C ATOM 1381 CD1 TRP A 93 -0.003 -3.175 -8.911 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.535 -1.594 -9.292 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.617 -2.145 -9.581 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.306 -1.164 -9.828 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.650 -0.761 -9.414 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.164 0.060 -10.477 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.507 0.454 -10.055 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.273 0.854 -10.581 1.00 0.00 C ATOM 0 H TRP A 93 0.728 -2.461 -5.941 1.00 0.00 H new ATOM 0 HA TRP A 93 2.258 -4.943 -6.252 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.331 -3.322 -8.215 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.325 -4.733 -8.477 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.492 -4.084 -8.593 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.600 -2.116 -9.851 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.607 -1.062 -9.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.787 0.371 -10.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.362 1.107 -10.152 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.195 1.809 -11.079 1.00 0.00 H new ATOM 1399 N MET A 94 3.948 -3.771 -4.885 1.00 0.00 N ATOM 1400 CA MET A 94 4.993 -3.130 -4.106 1.00 0.00 C ATOM 1401 C MET A 94 6.366 -3.370 -4.718 1.00 0.00 C ATOM 1402 O MET A 94 6.565 -4.320 -5.475 1.00 0.00 O ATOM 1403 CB MET A 94 4.971 -3.637 -2.665 1.00 0.00 C ATOM 1404 CG MET A 94 5.099 -2.530 -1.634 1.00 0.00 C ATOM 1405 SD MET A 94 4.720 -3.091 0.037 1.00 0.00 S ATOM 1406 CE MET A 94 4.627 -1.527 0.907 1.00 0.00 C ATOM 0 H MET A 94 3.829 -4.766 -4.693 1.00 0.00 H new ATOM 0 HA MET A 94 4.799 -2.057 -4.112 1.00 0.00 H new ATOM 0 HB2 MET A 94 4.041 -4.178 -2.492 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.785 -4.349 -2.526 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.113 -2.132 -1.658 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.429 -1.712 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.185 -1.596 1.841 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.054 -0.739 0.286 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.585 -1.293 1.124 1.00 0.00 H new ATOM 1416 N LYS A 95 7.312 -2.497 -4.385 1.00 0.00 N ATOM 1417 CA LYS A 95 8.672 -2.607 -4.901 1.00 0.00 C ATOM 1418 C LYS A 95 9.658 -1.852 -4.014 1.00 0.00 C ATOM 1419 O LYS A 95 9.588 -0.630 -3.891 1.00 0.00 O ATOM 1420 CB LYS A 95 8.743 -2.074 -6.333 1.00 0.00 C ATOM 1421 CG LYS A 95 7.859 -0.863 -6.578 1.00 0.00 C ATOM 1422 CD LYS A 95 6.795 -1.152 -7.624 1.00 0.00 C ATOM 1423 CE LYS A 95 6.775 -0.088 -8.710 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.230 -0.624 -10.021 1.00 0.00 N ATOM 0 H LYS A 95 7.161 -1.705 -3.760 1.00 0.00 H new ATOM 0 HA LYS A 95 8.947 -3.662 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.776 -1.812 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.455 -2.868 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.381 -0.565 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.473 -0.023 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.981 -2.128 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.817 -1.202 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.765 0.309 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.416 0.743 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.202 0.133 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.203 -0.979 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.604 -1.400 -10.315 1.00 0.00 H new ATOM 1438 N ARG A 96 10.576 -2.595 -3.402 1.00 0.00 N ATOM 1439 CA ARG A 96 11.581 -2.007 -2.527 1.00 0.00 C ATOM 1440 C ARG A 96 12.608 -1.206 -3.324 1.00 0.00 C ATOM 1441 O ARG A 96 13.575 -1.759 -3.847 1.00 0.00 O ATOM 1442 CB ARG A 96 12.288 -3.101 -1.723 1.00 0.00 C ATOM 1443 CG ARG A 96 11.767 -3.245 -0.302 1.00 0.00 C ATOM 1444 CD ARG A 96 12.285 -4.515 0.354 1.00 0.00 C ATOM 1445 NE ARG A 96 11.428 -5.664 0.074 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.889 -6.873 -0.232 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.197 -7.090 -0.300 1.00 0.00 N ATOM 1448 NH2 ARG A 96 11.045 -7.865 -0.473 1.00 0.00 N ATOM 0 H ARG A 96 10.643 -3.608 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 96 11.072 -1.327 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.173 -4.053 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.355 -2.883 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.070 -2.380 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.677 -3.258 -0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.295 -4.721 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.351 -4.366 1.432 1.00 0.00 H new ATOM 0 HE ARG A 96 10.418 -5.531 0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.850 -6.328 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.548 -8.018 -0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.039 -7.702 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.401 -8.792 -0.708 1.00 0.00 H new ATOM 1462 N MET A 97 12.391 0.101 -3.401 1.00 0.00 N ATOM 1463 CA MET A 97 13.297 0.993 -4.118 1.00 0.00 C ATOM 1464 C MET A 97 13.863 2.038 -3.163 1.00 0.00 C ATOM 1465 O MET A 97 13.535 2.039 -1.980 1.00 0.00 O ATOM 1466 CB MET A 97 12.567 1.679 -5.276 1.00 0.00 C ATOM 1467 CG MET A 97 11.675 2.830 -4.838 1.00 0.00 C ATOM 1468 SD MET A 97 10.839 3.630 -6.219 1.00 0.00 S ATOM 1469 CE MET A 97 9.907 2.257 -6.897 1.00 0.00 C ATOM 0 H MET A 97 11.592 0.570 -2.974 1.00 0.00 H new ATOM 0 HA MET A 97 14.117 0.403 -4.526 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.303 2.052 -5.988 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.961 0.940 -5.801 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.930 2.459 -4.134 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.276 3.568 -4.307 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.937 2.612 -7.246 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.456 1.822 -7.732 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.760 1.501 -6.126 1.00 0.00 H new ATOM 1479 N ARG A 98 14.710 2.925 -3.672 1.00 0.00 N ATOM 1480 CA ARG A 98 15.302 3.965 -2.838 1.00 0.00 C ATOM 1481 C ARG A 98 14.617 5.303 -3.069 1.00 0.00 C ATOM 1482 O ARG A 98 14.035 5.543 -4.128 1.00 0.00 O ATOM 1483 CB ARG A 98 16.797 4.092 -3.121 1.00 0.00 C ATOM 1484 CG ARG A 98 17.550 2.776 -3.027 1.00 0.00 C ATOM 1485 CD ARG A 98 18.617 2.820 -1.943 1.00 0.00 C ATOM 1486 NE ARG A 98 19.793 3.575 -2.366 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.252 4.645 -1.724 1.00 0.00 C ATOM 1488 NH1 ARG A 98 19.638 5.082 -0.632 1.00 0.00 N ATOM 1489 NH2 ARG A 98 21.326 5.281 -2.173 1.00 0.00 N ATOM 0 H ARG A 98 15.001 2.946 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 98 15.161 3.678 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.935 4.509 -4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.232 4.801 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.849 1.969 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.014 2.552 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.201 3.271 -1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.912 1.804 -1.683 1.00 0.00 H new ATOM 0 HE ARG A 98 20.290 3.264 -3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.812 4.597 -0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.993 5.903 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.801 4.949 -3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.676 6.102 -1.679 1.00 0.00 H new ATOM 1503 N GLN A 99 14.688 6.175 -2.068 1.00 0.00 N ATOM 1504 CA GLN A 99 14.075 7.493 -2.153 1.00 0.00 C ATOM 1505 C GLN A 99 14.927 8.532 -1.431 1.00 0.00 C ATOM 1506 O GLN A 99 15.051 9.671 -1.882 1.00 0.00 O ATOM 1507 CB GLN A 99 12.670 7.457 -1.553 1.00 0.00 C ATOM 1508 CG GLN A 99 11.700 6.570 -2.317 1.00 0.00 C ATOM 1509 CD GLN A 99 10.678 7.362 -3.109 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.425 6.923 -3.066 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 11.010 8.358 -3.753 1.00 0.00 N flip ATOM 0 H GLN A 99 15.166 5.990 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 99 14.007 7.774 -3.204 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.734 7.107 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.272 8.471 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.260 5.927 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.182 5.917 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.984 8.660 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.311 8.880 -4.281 1.00 0.00 H new ATOM 1520 N GLU A 100 15.514 8.128 -0.307 1.00 0.00 N ATOM 1521 CA GLU A 100 16.357 9.021 0.483 1.00 0.00 C ATOM 1522 C GLU A 100 17.701 8.363 0.788 1.00 0.00 C ATOM 1523 O GLU A 100 18.699 8.624 0.115 1.00 0.00 O ATOM 1524 CB GLU A 100 15.659 9.410 1.790 1.00 0.00 C ATOM 1525 CG GLU A 100 14.142 9.310 1.730 1.00 0.00 C ATOM 1526 CD GLU A 100 13.463 10.120 2.817 1.00 0.00 C ATOM 1527 OE1 GLU A 100 13.748 9.875 4.008 1.00 0.00 O ATOM 1528 OE2 GLU A 100 12.642 10.998 2.476 1.00 0.00 O ATOM 0 H GLU A 100 15.421 7.188 0.077 1.00 0.00 H new ATOM 0 HA GLU A 100 16.532 9.923 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 100 16.025 8.768 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.936 10.432 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.797 9.655 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.846 8.265 1.822 1.00 0.00 H new ATOM 1535 N ARG A 101 17.717 7.509 1.808 1.00 0.00 N ATOM 1536 CA ARG A 101 18.934 6.809 2.205 1.00 0.00 C ATOM 1537 C ARG A 101 18.614 5.381 2.629 1.00 0.00 C ATOM 1538 O ARG A 101 19.495 4.635 3.055 1.00 0.00 O ATOM 1539 CB ARG A 101 19.621 7.551 3.352 1.00 0.00 C ATOM 1540 CG ARG A 101 20.391 8.784 2.906 1.00 0.00 C ATOM 1541 CD ARG A 101 21.404 9.216 3.954 1.00 0.00 C ATOM 1542 NE ARG A 101 22.243 10.315 3.484 1.00 0.00 N ATOM 1543 CZ ARG A 101 23.513 10.480 3.842 1.00 0.00 C ATOM 1544 NH1 ARG A 101 24.090 9.619 4.671 1.00 0.00 N ATOM 1545 NH2 ARG A 101 24.208 11.505 3.369 1.00 0.00 N ATOM 0 H ARG A 101 16.899 7.285 2.375 1.00 0.00 H new ATOM 0 HA ARG A 101 19.608 6.778 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 101 18.869 7.848 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.305 6.869 3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.904 8.575 1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.694 9.600 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.880 9.521 4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 101 22.034 8.367 4.221 1.00 0.00 H new ATOM 0 HE ARG A 101 21.831 10.995 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 101 23.559 8.828 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 101 25.064 9.748 4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.769 12.168 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 101 25.182 11.631 3.644 1.00 0.00 H new ATOM 1559 N ARG A 102 17.345 5.009 2.510 1.00 0.00 N ATOM 1560 CA ARG A 102 16.897 3.672 2.881 1.00 0.00 C ATOM 1561 C ARG A 102 15.993 3.088 1.798 1.00 0.00 C ATOM 1562 O ARG A 102 15.290 3.823 1.104 1.00 0.00 O ATOM 1563 CB ARG A 102 16.168 3.723 4.235 1.00 0.00 C ATOM 1564 CG ARG A 102 14.951 2.812 4.337 1.00 0.00 C ATOM 1565 CD ARG A 102 13.715 3.580 4.782 1.00 0.00 C ATOM 1566 NE ARG A 102 13.920 4.251 6.063 1.00 0.00 N ATOM 1567 CZ ARG A 102 13.827 5.568 6.231 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.533 6.352 5.204 1.00 0.00 N ATOM 1569 NH2 ARG A 102 14.027 6.100 7.430 1.00 0.00 N ATOM 0 H ARG A 102 16.605 5.617 2.158 1.00 0.00 H new ATOM 0 HA ARG A 102 17.766 3.022 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 102 16.873 3.455 5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.854 4.749 4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.762 2.346 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.155 2.008 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.454 4.318 4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.872 2.894 4.863 1.00 0.00 H new ATOM 0 HE ARG A 102 14.147 3.678 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.377 5.947 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.463 7.361 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.252 5.500 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.956 7.109 7.558 1.00 0.00 H new ATOM 1583 N LEU A 103 16.008 1.764 1.665 1.00 0.00 N ATOM 1584 CA LEU A 103 15.178 1.092 0.669 1.00 0.00 C ATOM 1585 C LEU A 103 13.706 1.221 1.036 1.00 0.00 C ATOM 1586 O LEU A 103 13.169 0.410 1.791 1.00 0.00 O ATOM 1587 CB LEU A 103 15.548 -0.396 0.515 1.00 0.00 C ATOM 1588 CG LEU A 103 16.301 -1.055 1.681 1.00 0.00 C ATOM 1589 CD1 LEU A 103 17.748 -0.591 1.714 1.00 0.00 C ATOM 1590 CD2 LEU A 103 15.612 -0.777 3.012 1.00 0.00 C ATOM 0 H LEU A 103 16.582 1.139 2.231 1.00 0.00 H new ATOM 0 HA LEU A 103 15.362 1.581 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.629 -0.957 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 103 16.156 -0.502 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 103 16.289 -2.133 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 103 18.264 -1.069 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 103 18.238 -0.862 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 103 17.780 0.491 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 103 16.169 -1.257 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 103 15.577 0.298 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.597 -1.174 2.986 1.00 0.00 H new ATOM 1602 N CYS A 104 13.055 2.247 0.500 1.00 0.00 N ATOM 1603 CA CYS A 104 11.647 2.482 0.779 1.00 0.00 C ATOM 1604 C CYS A 104 10.750 1.636 -0.116 1.00 0.00 C ATOM 1605 O CYS A 104 10.939 1.575 -1.332 1.00 0.00 O ATOM 1606 CB CYS A 104 11.310 3.965 0.595 1.00 0.00 C ATOM 1607 SG CYS A 104 12.566 5.094 1.235 1.00 0.00 S ATOM 0 H CYS A 104 13.481 2.928 -0.129 1.00 0.00 H new ATOM 0 HA CYS A 104 11.464 2.193 1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.165 4.164 -0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.362 4.175 1.091 1.00 0.00 H new ATOM 0 HG CYS A 104 13.736 4.534 1.152 1.00 0.00 H new ATOM 1613 N CYS A 105 9.767 0.997 0.502 1.00 0.00 N ATOM 1614 CA CYS A 105 8.815 0.158 -0.211 1.00 0.00 C ATOM 1615 C CYS A 105 7.735 1.022 -0.860 1.00 0.00 C ATOM 1616 O CYS A 105 7.148 1.884 -0.206 1.00 0.00 O ATOM 1617 CB CYS A 105 8.178 -0.828 0.767 1.00 0.00 C ATOM 1618 SG CYS A 105 7.930 -2.486 0.092 1.00 0.00 S ATOM 0 H CYS A 105 9.607 1.045 1.508 1.00 0.00 H new ATOM 0 HA CYS A 105 9.336 -0.393 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.807 -0.900 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.215 -0.432 1.090 1.00 0.00 H new ATOM 0 HG CYS A 105 6.725 -2.890 0.366 1.00 0.00 H new ATOM 1624 N VAL A 106 7.483 0.802 -2.148 1.00 0.00 N ATOM 1625 CA VAL A 106 6.480 1.581 -2.869 1.00 0.00 C ATOM 1626 C VAL A 106 5.332 0.709 -3.371 1.00 0.00 C ATOM 1627 O VAL A 106 5.550 -0.294 -4.046 1.00 0.00 O ATOM 1628 CB VAL A 106 7.108 2.329 -4.064 1.00 0.00 C ATOM 1629 CG1 VAL A 106 6.034 2.861 -5.004 1.00 0.00 C ATOM 1630 CG2 VAL A 106 8.000 3.460 -3.572 1.00 0.00 C ATOM 0 H VAL A 106 7.956 0.095 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 106 6.081 2.304 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 106 7.720 1.622 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.505 3.383 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.441 2.030 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.386 3.551 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.436 3.978 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.407 4.162 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.797 3.051 -2.951 1.00 0.00 H new ATOM 1640 N VAL A 107 4.109 1.125 -3.052 1.00 0.00 N ATOM 1641 CA VAL A 107 2.901 0.417 -3.474 1.00 0.00 C ATOM 1642 C VAL A 107 2.026 1.339 -4.304 1.00 0.00 C ATOM 1643 O VAL A 107 2.026 2.552 -4.097 1.00 0.00 O ATOM 1644 CB VAL A 107 2.049 -0.034 -2.274 1.00 0.00 C ATOM 1645 CG1 VAL A 107 2.203 -1.512 -1.974 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.374 0.814 -1.067 1.00 0.00 C ATOM 0 H VAL A 107 3.926 1.960 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 107 3.232 -0.453 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 107 1.001 0.111 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.581 -1.776 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.893 -2.094 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.246 -1.730 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.768 0.490 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.430 0.705 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.159 1.859 -1.288 1.00 0.00 H new ATOM 1656 N VAL A 108 1.266 0.770 -5.224 1.00 0.00 N ATOM 1657 CA VAL A 108 0.376 1.569 -6.048 1.00 0.00 C ATOM 1658 C VAL A 108 -0.972 0.875 -6.219 1.00 0.00 C ATOM 1659 O VAL A 108 -1.063 -0.183 -6.844 1.00 0.00 O ATOM 1660 CB VAL A 108 0.984 1.870 -7.433 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.189 2.958 -8.138 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.446 2.269 -7.304 1.00 0.00 C ATOM 0 H VAL A 108 1.247 -0.231 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 108 0.231 2.517 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 108 0.933 0.963 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.632 3.158 -9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.842 2.629 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.207 3.868 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.855 2.477 -8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.526 3.161 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.006 1.455 -6.843 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.014 1.471 -5.647 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.356 0.910 -5.718 1.00 0.00 C ATOM 1674 C LEU A 109 -4.101 1.413 -6.951 1.00 0.00 C ATOM 1675 O LEU A 109 -4.232 2.618 -7.163 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.126 1.278 -4.450 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.270 1.335 -3.182 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -3.857 2.309 -2.175 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.141 -0.053 -2.578 1.00 0.00 C ATOM 0 H LEU A 109 -1.952 2.346 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.276 -0.174 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.600 2.248 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.925 0.552 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.276 1.693 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.231 2.332 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.899 3.306 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.863 1.990 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.530 -0.002 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.131 -0.433 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.669 -0.721 -3.299 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.587 0.482 -7.764 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.317 0.837 -8.977 1.00 0.00 C ATOM 1693 C GLU A 110 -6.628 0.060 -9.072 1.00 0.00 C ATOM 1694 O GLU A 110 -6.623 -1.166 -9.189 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.458 0.565 -10.212 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.351 1.754 -11.154 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.848 1.366 -12.530 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -2.991 0.460 -12.617 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -4.310 1.968 -13.522 1.00 0.00 O ATOM 0 H GLU A 110 -4.490 -0.521 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.550 1.901 -8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.457 0.275 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.876 -0.282 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.329 2.226 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.679 2.496 -10.722 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.776 0.765 -9.021 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.095 0.131 -9.102 1.00 0.00 C ATOM 1708 C PRO A 111 -9.227 -0.770 -10.325 1.00 0.00 C ATOM 1709 O PRO A 111 -8.823 -0.396 -11.427 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.058 1.316 -9.206 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.331 2.455 -8.579 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.874 2.232 -8.879 1.00 0.00 C ATOM 0 HA PRO A 111 -9.288 -0.516 -8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.309 1.531 -10.245 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.994 1.111 -8.687 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.672 3.407 -8.986 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.508 2.486 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.568 2.746 -9.790 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.237 2.602 -8.076 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.798 -1.953 -10.126 1.00 0.00 N ATOM 1721 CA VAL A 112 -9.985 -2.900 -11.218 1.00 0.00 C ATOM 1722 C VAL A 112 -11.374 -2.762 -11.831 1.00 0.00 C ATOM 1723 O VAL A 112 -12.280 -2.197 -11.218 1.00 0.00 O ATOM 1724 CB VAL A 112 -9.781 -4.354 -10.746 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -8.450 -4.500 -10.028 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -10.928 -4.794 -9.848 1.00 0.00 C ATOM 0 H VAL A 112 -10.138 -2.278 -9.221 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.234 -2.666 -11.972 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.769 -5.001 -11.623 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.324 -5.532 -9.702 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.640 -4.232 -10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.431 -3.841 -9.160 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.764 -5.822 -9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.976 -4.144 -8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.866 -4.731 -10.399 1.00 0.00 H new