USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 766 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 22 ASN : amide:sc= -1.57 K(o=-1.6,f=-3) USER MOD Set 1.2: A 67 THR OG1 : rot -150:sc= -0.0156 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 171:sc= -0.194 USER MOD Single : A 17 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.1!) USER MOD Single : A 18 THR OG1 : rot 117:sc= 1.07 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.7 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.6!) USER MOD Single : A 30 THR OG1 : rot 97:sc= 0.191 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.844 F(o=-1.8!,f=-0.84) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.61!) USER MOD Single : A 37 MET CE :methyl -131:sc= -4.63! (180deg=-5.56!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0667 K(o=-0.067,f=-0.89) USER MOD Single : A 54 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.9!) USER MOD Single : A 55 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.161 F(o=-0.91,f=-0.16) USER MOD Single : A 58 HIS : no HE2:sc= -3.15 K(o=-3.2,f=-4.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -80:sc= -2.27! USER MOD Single : A 61 ASN : amide:sc= -0.0265 X(o=-0.027,f=-0.24) USER MOD Single : A 62 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.055) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.078 K(o=-0.078,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= -0.0486 (180deg=-1.04) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0.0174 K(o=0.017,f=-0.53) USER MOD Single : A 88 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.62) USER MOD Single : A 89 GLN : amide:sc= -0.0942 K(o=-0.094,f=-1.4!) USER MOD Single : A 92 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.22) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -122:sc= -2.03 (180deg=-6.51!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc=-0.00219 K(o=-0.0022,f=-1.1) USER MOD Single : A 106 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.61) USER MOD Single : A 108 GLN : amide:sc= -0.0982 K(o=-0.098,f=-1.4!) USER MOD Single : A 111 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.9) USER MOD Single : A 115 SER OG : rot 78:sc= 1.16 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N ASP A 11 9.249 -17.355 -2.930 1.00 0.00 N ATOM 127 CA ASP A 11 8.539 -18.366 -2.165 1.00 0.00 C ATOM 128 C ASP A 11 7.286 -17.744 -1.546 1.00 0.00 C ATOM 129 O ASP A 11 7.276 -16.560 -1.214 1.00 0.00 O ATOM 130 CB ASP A 11 9.409 -18.909 -1.030 1.00 0.00 C ATOM 131 CG ASP A 11 10.828 -19.310 -1.437 1.00 0.00 C ATOM 132 OD1 ASP A 11 10.939 -20.141 -2.364 1.00 0.00 O ATOM 133 OD2 ASP A 11 11.770 -18.777 -0.812 1.00 0.00 O ATOM 0 HA ASP A 11 8.279 -19.181 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.472 -18.153 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.913 -19.777 -0.596 1.00 0.00 H new ATOM 138 N PHE A 12 6.260 -18.571 -1.409 1.00 0.00 N ATOM 139 CA PHE A 12 5.005 -18.117 -0.836 1.00 0.00 C ATOM 140 C PHE A 12 5.248 -17.254 0.404 1.00 0.00 C ATOM 141 O PHE A 12 4.688 -16.166 0.526 1.00 0.00 O ATOM 142 CB PHE A 12 4.223 -19.367 -0.426 1.00 0.00 C ATOM 143 CG PHE A 12 2.747 -19.104 -0.117 1.00 0.00 C ATOM 144 CD1 PHE A 12 2.387 -18.574 1.082 1.00 0.00 C ATOM 145 CD2 PHE A 12 1.796 -19.401 -1.043 1.00 0.00 C ATOM 146 CE1 PHE A 12 1.018 -18.330 1.368 1.00 0.00 C ATOM 147 CE2 PHE A 12 0.426 -19.157 -0.756 1.00 0.00 C ATOM 148 CZ PHE A 12 0.066 -18.627 0.443 1.00 0.00 C ATOM 0 H PHE A 12 6.273 -19.553 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 12 4.460 -17.515 -1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.290 -20.104 -1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.695 -19.806 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.142 -18.339 1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.082 -19.822 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.732 -17.908 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.330 -19.393 -1.491 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.975 -18.442 0.661 1.00 0.00 H new ATOM 158 N SER A 13 6.086 -17.771 1.291 1.00 0.00 N ATOM 159 CA SER A 13 6.411 -17.060 2.516 1.00 0.00 C ATOM 160 C SER A 13 7.203 -15.792 2.191 1.00 0.00 C ATOM 161 O SER A 13 7.139 -14.810 2.929 1.00 0.00 O ATOM 162 CB SER A 13 7.204 -17.950 3.475 1.00 0.00 C ATOM 163 OG SER A 13 7.075 -17.524 4.828 1.00 0.00 O ATOM 0 H SER A 13 6.549 -18.673 1.186 1.00 0.00 H new ATOM 0 HA SER A 13 5.479 -16.782 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.858 -18.980 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.256 -17.942 3.191 1.00 0.00 H new ATOM 0 HG SER A 13 7.594 -18.118 5.409 1.00 0.00 H new ATOM 169 N SER A 14 7.931 -15.855 1.086 1.00 0.00 N ATOM 170 CA SER A 14 8.735 -14.723 0.654 1.00 0.00 C ATOM 171 C SER A 14 7.841 -13.664 0.006 1.00 0.00 C ATOM 172 O SER A 14 8.075 -12.467 0.166 1.00 0.00 O ATOM 173 CB SER A 14 9.828 -15.165 -0.320 1.00 0.00 C ATOM 174 OG SER A 14 10.702 -16.130 0.259 1.00 0.00 O ATOM 0 H SER A 14 7.981 -16.671 0.477 1.00 0.00 H new ATOM 0 HA SER A 14 9.220 -14.292 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.368 -15.584 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.406 -14.296 -0.635 1.00 0.00 H new ATOM 0 HG SER A 14 11.293 -16.493 -0.433 1.00 0.00 H new ATOM 180 N ILE A 15 6.837 -14.143 -0.714 1.00 0.00 N ATOM 181 CA ILE A 15 5.907 -13.252 -1.387 1.00 0.00 C ATOM 182 C ILE A 15 4.948 -12.650 -0.358 1.00 0.00 C ATOM 183 O ILE A 15 4.610 -11.470 -0.435 1.00 0.00 O ATOM 184 CB ILE A 15 5.202 -13.980 -2.533 1.00 0.00 C ATOM 185 CG1 ILE A 15 6.217 -14.610 -3.489 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.232 -13.048 -3.261 1.00 0.00 C ATOM 187 CD1 ILE A 15 5.545 -15.635 -4.405 1.00 0.00 C ATOM 0 H ILE A 15 6.647 -15.136 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 15 6.441 -12.422 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 15 4.611 -14.792 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.687 -13.832 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.010 -15.093 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.744 -13.591 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.479 -12.688 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.781 -12.200 -3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.289 -16.068 -5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.097 -16.424 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.769 -15.144 -4.993 1.00 0.00 H new ATOM 199 N ILE A 16 4.536 -13.489 0.581 1.00 0.00 N ATOM 200 CA ILE A 16 3.622 -13.055 1.624 1.00 0.00 C ATOM 201 C ILE A 16 4.310 -11.999 2.492 1.00 0.00 C ATOM 202 O ILE A 16 3.860 -10.856 2.559 1.00 0.00 O ATOM 203 CB ILE A 16 3.101 -14.257 2.414 1.00 0.00 C ATOM 204 CG1 ILE A 16 2.094 -15.060 1.590 1.00 0.00 C ATOM 205 CG2 ILE A 16 2.521 -13.818 3.760 1.00 0.00 C ATOM 206 CD1 ILE A 16 0.921 -15.524 2.457 1.00 0.00 C ATOM 0 H ILE A 16 4.818 -14.467 0.641 1.00 0.00 H new ATOM 0 HA ILE A 16 2.741 -12.584 1.187 1.00 0.00 H new ATOM 0 HB ILE A 16 3.942 -14.917 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.723 -14.449 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.588 -15.925 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.158 -14.691 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.296 -13.324 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.696 -13.126 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.220 -16.093 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.293 -16.154 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.414 -14.656 2.878 1.00 0.00 H new ATOM 218 N GLN A 17 5.390 -12.420 3.134 1.00 0.00 N ATOM 219 CA GLN A 17 6.145 -11.525 3.995 1.00 0.00 C ATOM 220 C GLN A 17 6.294 -10.153 3.334 1.00 0.00 C ATOM 221 O GLN A 17 6.102 -9.124 3.980 1.00 0.00 O ATOM 222 CB GLN A 17 7.512 -12.119 4.339 1.00 0.00 C ATOM 223 CG GLN A 17 8.561 -11.720 3.300 1.00 0.00 C ATOM 224 CD GLN A 17 9.925 -12.326 3.637 1.00 0.00 C ATOM 225 OE1 GLN A 17 10.237 -13.451 3.284 1.00 0.00 O ATOM 226 NE2 GLN A 17 10.718 -11.519 4.336 1.00 0.00 N ATOM 0 H GLN A 17 5.760 -13.369 3.075 1.00 0.00 H new ATOM 0 HA GLN A 17 5.595 -11.400 4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.824 -11.776 5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.438 -13.205 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.245 -12.054 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.642 -10.634 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.394 -10.588 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.650 -11.831 4.609 1.00 0.00 H new ATOM 235 N THR A 18 6.636 -10.182 2.054 1.00 0.00 N ATOM 236 CA THR A 18 6.813 -8.954 1.298 1.00 0.00 C ATOM 237 C THR A 18 5.498 -8.175 1.231 1.00 0.00 C ATOM 238 O THR A 18 5.496 -6.946 1.292 1.00 0.00 O ATOM 239 CB THR A 18 7.372 -9.321 -0.077 1.00 0.00 C ATOM 240 OG1 THR A 18 8.545 -10.076 0.215 1.00 0.00 O ATOM 241 CG2 THR A 18 7.894 -8.103 -0.842 1.00 0.00 C ATOM 0 H THR A 18 6.795 -11.037 1.521 1.00 0.00 H new ATOM 0 HA THR A 18 7.525 -8.288 1.787 1.00 0.00 H new ATOM 0 HB THR A 18 6.596 -9.813 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.439 -10.989 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.279 -8.420 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.082 -7.391 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.693 -7.630 -0.271 1.00 0.00 H new ATOM 249 N CYS A 19 4.410 -8.921 1.107 1.00 0.00 N ATOM 250 CA CYS A 19 3.092 -8.316 1.031 1.00 0.00 C ATOM 251 C CYS A 19 2.765 -7.704 2.395 1.00 0.00 C ATOM 252 O CYS A 19 2.537 -6.500 2.501 1.00 0.00 O ATOM 253 CB CYS A 19 2.031 -9.325 0.588 1.00 0.00 C ATOM 254 SG CYS A 19 2.073 -9.521 -1.231 1.00 0.00 S ATOM 0 H CYS A 19 4.415 -9.940 1.057 1.00 0.00 H new ATOM 0 HA CYS A 19 3.092 -7.532 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.208 -10.287 1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.043 -8.988 0.903 1.00 0.00 H new ATOM 0 HG CYS A 19 1.170 -10.382 -1.596 1.00 0.00 H new ATOM 260 N SER A 20 2.751 -8.562 3.404 1.00 0.00 N ATOM 261 CA SER A 20 2.456 -8.122 4.757 1.00 0.00 C ATOM 262 C SER A 20 3.242 -6.849 5.076 1.00 0.00 C ATOM 263 O SER A 20 2.739 -5.960 5.762 1.00 0.00 O ATOM 264 CB SER A 20 2.781 -9.216 5.776 1.00 0.00 C ATOM 265 OG SER A 20 2.160 -8.974 7.035 1.00 0.00 O ATOM 0 H SER A 20 2.939 -9.560 3.312 1.00 0.00 H new ATOM 0 HA SER A 20 1.389 -7.909 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.453 -10.181 5.389 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.861 -9.277 5.910 1.00 0.00 H new ATOM 0 HG SER A 20 2.390 -9.695 7.657 1.00 0.00 H new ATOM 271 N GLY A 21 4.463 -6.801 4.564 1.00 0.00 N ATOM 272 CA GLY A 21 5.323 -5.652 4.786 1.00 0.00 C ATOM 273 C GLY A 21 4.817 -4.431 4.015 1.00 0.00 C ATOM 274 O GLY A 21 4.589 -3.373 4.601 1.00 0.00 O ATOM 0 H GLY A 21 4.877 -7.540 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.363 -5.423 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.340 -5.889 4.473 1.00 0.00 H new ATOM 278 N ASN A 22 4.655 -4.617 2.714 1.00 0.00 N ATOM 279 CA ASN A 22 4.180 -3.544 1.857 1.00 0.00 C ATOM 280 C ASN A 22 2.907 -2.944 2.458 1.00 0.00 C ATOM 281 O ASN A 22 2.841 -1.741 2.705 1.00 0.00 O ATOM 282 CB ASN A 22 3.843 -4.064 0.458 1.00 0.00 C ATOM 283 CG ASN A 22 5.097 -4.577 -0.253 1.00 0.00 C ATOM 284 OD1 ASN A 22 6.208 -4.471 0.239 1.00 0.00 O ATOM 285 ND2 ASN A 22 4.857 -5.138 -1.434 1.00 0.00 N ATOM 0 H ASN A 22 4.844 -5.496 2.232 1.00 0.00 H new ATOM 0 HA ASN A 22 4.970 -2.797 1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.108 -4.866 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.387 -3.267 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.628 -5.512 -1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.902 -5.194 -1.787 1.00 0.00 H new ATOM 292 N ILE A 23 1.928 -3.810 2.674 1.00 0.00 N ATOM 293 CA ILE A 23 0.661 -3.381 3.241 1.00 0.00 C ATOM 294 C ILE A 23 0.922 -2.350 4.341 1.00 0.00 C ATOM 295 O ILE A 23 0.463 -1.212 4.252 1.00 0.00 O ATOM 296 CB ILE A 23 -0.153 -4.588 3.711 1.00 0.00 C ATOM 297 CG1 ILE A 23 -0.586 -5.452 2.525 1.00 0.00 C ATOM 298 CG2 ILE A 23 -1.343 -4.149 4.565 1.00 0.00 C ATOM 299 CD1 ILE A 23 -1.478 -6.607 2.985 1.00 0.00 C ATOM 0 H ILE A 23 1.987 -4.807 2.467 1.00 0.00 H new ATOM 0 HA ILE A 23 0.051 -2.891 2.482 1.00 0.00 H new ATOM 0 HB ILE A 23 0.486 -5.205 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.123 -4.839 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.294 -5.847 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.904 -5.027 4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.983 -3.609 5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.991 -3.498 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.772 -7.206 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.930 -7.231 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.369 -6.208 3.470 1.00 0.00 H new ATOM 311 N GLN A 24 1.659 -2.785 5.352 1.00 0.00 N ATOM 312 CA GLN A 24 1.987 -1.914 6.468 1.00 0.00 C ATOM 313 C GLN A 24 2.365 -0.521 5.961 1.00 0.00 C ATOM 314 O GLN A 24 1.701 0.463 6.284 1.00 0.00 O ATOM 315 CB GLN A 24 3.109 -2.511 7.319 1.00 0.00 C ATOM 316 CG GLN A 24 2.543 -3.401 8.427 1.00 0.00 C ATOM 317 CD GLN A 24 3.027 -2.937 9.803 1.00 0.00 C ATOM 318 OE1 GLN A 24 2.306 -2.317 10.567 1.00 0.00 O ATOM 319 NE2 GLN A 24 4.286 -3.272 10.075 1.00 0.00 N ATOM 0 H GLN A 24 2.038 -3.729 5.422 1.00 0.00 H new ATOM 0 HA GLN A 24 1.105 -1.822 7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.779 -3.093 6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.702 -1.709 7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.454 -3.380 8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.847 -4.434 8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.835 -3.792 9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.702 -3.009 10.968 1.00 0.00 H new ATOM 328 N ARG A 25 3.431 -0.482 5.175 1.00 0.00 N ATOM 329 CA ARG A 25 3.906 0.774 4.619 1.00 0.00 C ATOM 330 C ARG A 25 2.738 1.572 4.036 1.00 0.00 C ATOM 331 O ARG A 25 2.518 2.722 4.412 1.00 0.00 O ATOM 332 CB ARG A 25 4.948 0.534 3.525 1.00 0.00 C ATOM 333 CG ARG A 25 6.365 0.560 4.101 1.00 0.00 C ATOM 334 CD ARG A 25 6.908 -0.858 4.287 1.00 0.00 C ATOM 335 NE ARG A 25 7.688 -0.941 5.542 1.00 0.00 N ATOM 336 CZ ARG A 25 8.942 -0.487 5.678 1.00 0.00 C ATOM 337 NH1 ARG A 25 9.564 0.084 4.638 1.00 0.00 N ATOM 338 NH2 ARG A 25 9.573 -0.604 6.854 1.00 0.00 N ATOM 0 H ARG A 25 3.979 -1.300 4.910 1.00 0.00 H new ATOM 0 HA ARG A 25 4.369 1.340 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.764 -0.428 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.852 1.297 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.022 1.120 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.363 1.081 5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.084 -1.571 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.537 -1.129 3.439 1.00 0.00 H new ATOM 0 HE ARG A 25 7.244 -1.370 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.083 0.173 3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.518 0.429 4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.099 -1.039 7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.527 -0.259 6.957 1.00 0.00 H new ATOM 352 N ILE A 26 2.020 0.929 3.127 1.00 0.00 N ATOM 353 CA ILE A 26 0.880 1.565 2.488 1.00 0.00 C ATOM 354 C ILE A 26 0.058 2.308 3.543 1.00 0.00 C ATOM 355 O ILE A 26 -0.259 3.484 3.373 1.00 0.00 O ATOM 356 CB ILE A 26 0.073 0.539 1.689 1.00 0.00 C ATOM 357 CG1 ILE A 26 0.941 -0.133 0.624 1.00 0.00 C ATOM 358 CG2 ILE A 26 -1.182 1.176 1.089 1.00 0.00 C ATOM 359 CD1 ILE A 26 0.089 -0.978 -0.325 1.00 0.00 C ATOM 0 H ILE A 26 2.205 -0.025 2.818 1.00 0.00 H new ATOM 0 HA ILE A 26 1.214 2.308 1.764 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.258 -0.242 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.479 0.626 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.690 -0.763 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.737 0.426 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.810 1.567 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.894 1.989 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.731 -1.445 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.429 -1.751 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.643 -0.341 -0.822 1.00 0.00 H new ATOM 371 N SER A 27 -0.264 1.590 4.609 1.00 0.00 N ATOM 372 CA SER A 27 -1.043 2.167 5.692 1.00 0.00 C ATOM 373 C SER A 27 -0.220 3.233 6.419 1.00 0.00 C ATOM 374 O SER A 27 -0.763 4.238 6.873 1.00 0.00 O ATOM 375 CB SER A 27 -1.501 1.088 6.676 1.00 0.00 C ATOM 376 OG SER A 27 -2.850 1.284 7.091 1.00 0.00 O ATOM 0 H SER A 27 0.000 0.614 4.746 1.00 0.00 H new ATOM 0 HA SER A 27 -1.931 2.632 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.404 0.107 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.848 1.093 7.549 1.00 0.00 H new ATOM 0 HG SER A 27 -3.106 0.575 7.717 1.00 0.00 H new ATOM 382 N GLN A 28 1.077 2.976 6.506 1.00 0.00 N ATOM 383 CA GLN A 28 1.980 3.901 7.170 1.00 0.00 C ATOM 384 C GLN A 28 1.977 5.252 6.453 1.00 0.00 C ATOM 385 O GLN A 28 1.552 6.258 7.019 1.00 0.00 O ATOM 386 CB GLN A 28 3.395 3.324 7.248 1.00 0.00 C ATOM 387 CG GLN A 28 3.438 2.098 8.162 1.00 0.00 C ATOM 388 CD GLN A 28 4.745 2.051 8.955 1.00 0.00 C ATOM 389 OE1 GLN A 28 5.509 3.001 9.000 1.00 0.00 O ATOM 390 NE2 GLN A 28 4.959 0.895 9.578 1.00 0.00 N ATOM 0 H GLN A 28 1.524 2.141 6.128 1.00 0.00 H new ATOM 0 HA GLN A 28 1.628 4.053 8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.735 3.050 6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.081 4.084 7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.592 2.122 8.849 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.338 1.191 7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.278 0.139 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.804 0.764 10.135 1.00 0.00 H new ATOM 399 N ALA A 29 2.456 5.232 5.218 1.00 0.00 N ATOM 400 CA ALA A 29 2.514 6.443 4.418 1.00 0.00 C ATOM 401 C ALA A 29 1.165 7.162 4.490 1.00 0.00 C ATOM 402 O ALA A 29 1.116 8.387 4.590 1.00 0.00 O ATOM 403 CB ALA A 29 2.909 6.089 2.983 1.00 0.00 C ATOM 0 H ALA A 29 2.808 4.396 4.752 1.00 0.00 H new ATOM 0 HA ALA A 29 3.272 7.123 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.952 6.998 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.887 5.607 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.170 5.409 2.559 1.00 0.00 H new ATOM 409 N THR A 30 0.105 6.370 4.437 1.00 0.00 N ATOM 410 CA THR A 30 -1.241 6.916 4.496 1.00 0.00 C ATOM 411 C THR A 30 -1.459 7.657 5.816 1.00 0.00 C ATOM 412 O THR A 30 -2.251 8.596 5.881 1.00 0.00 O ATOM 413 CB THR A 30 -2.227 5.767 4.274 1.00 0.00 C ATOM 414 OG1 THR A 30 -2.253 5.600 2.859 1.00 0.00 O ATOM 415 CG2 THR A 30 -3.664 6.152 4.631 1.00 0.00 C ATOM 0 H THR A 30 0.150 5.354 4.354 1.00 0.00 H new ATOM 0 HA THR A 30 -1.402 7.658 3.713 1.00 0.00 H new ATOM 0 HB THR A 30 -1.923 4.907 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.645 4.875 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.323 5.302 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.714 6.439 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.981 6.991 4.011 1.00 0.00 H new ATOM 423 N ALA A 31 -0.741 7.208 6.835 1.00 0.00 N ATOM 424 CA ALA A 31 -0.846 7.817 8.150 1.00 0.00 C ATOM 425 C ALA A 31 -0.027 9.110 8.175 1.00 0.00 C ATOM 426 O ALA A 31 -0.444 10.101 8.772 1.00 0.00 O ATOM 427 CB ALA A 31 -0.390 6.817 9.214 1.00 0.00 C ATOM 0 H ALA A 31 -0.084 6.430 6.776 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.881 8.078 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.469 7.274 10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.022 5.930 9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.646 6.534 9.027 1.00 0.00 H new ATOM 433 N GLN A 32 1.123 9.056 7.521 1.00 0.00 N ATOM 434 CA GLN A 32 2.004 10.210 7.460 1.00 0.00 C ATOM 435 C GLN A 32 1.290 11.390 6.798 1.00 0.00 C ATOM 436 O GLN A 32 1.464 12.536 7.209 1.00 0.00 O ATOM 437 CB GLN A 32 3.302 9.872 6.724 1.00 0.00 C ATOM 438 CG GLN A 32 4.368 9.364 7.697 1.00 0.00 C ATOM 439 CD GLN A 32 4.940 8.023 7.232 1.00 0.00 C ATOM 440 OE1 GLN A 32 6.061 8.129 6.524 1.00 0.00 O flip ATOM 441 NE2 GLN A 32 4.399 6.962 7.499 1.00 0.00 N flip ATOM 0 H GLN A 32 1.466 8.231 7.028 1.00 0.00 H new ATOM 0 HA GLN A 32 2.266 10.495 8.479 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.107 9.115 5.965 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.671 10.757 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.170 10.097 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.935 9.254 8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.539 6.952 8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.807 6.086 7.174 1.00 0.00 H new ATOM 450 N ILE A 33 0.500 11.068 5.784 1.00 0.00 N ATOM 451 CA ILE A 33 -0.242 12.087 5.061 1.00 0.00 C ATOM 452 C ILE A 33 -1.269 12.726 5.998 1.00 0.00 C ATOM 453 O ILE A 33 -1.384 13.949 6.057 1.00 0.00 O ATOM 454 CB ILE A 33 -0.853 11.501 3.786 1.00 0.00 C ATOM 455 CG1 ILE A 33 0.193 11.394 2.675 1.00 0.00 C ATOM 456 CG2 ILE A 33 -2.078 12.306 3.346 1.00 0.00 C ATOM 457 CD1 ILE A 33 0.200 9.993 2.061 1.00 0.00 C ATOM 0 H ILE A 33 0.358 10.116 5.446 1.00 0.00 H new ATOM 0 HA ILE A 33 0.426 12.882 4.731 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.194 10.489 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.016 12.133 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.180 11.624 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.493 11.869 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.829 12.286 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.785 13.338 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.953 9.944 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.434 9.259 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.781 9.776 1.639 1.00 0.00 H new ATOM 469 N LYS A 34 -1.989 11.869 6.707 1.00 0.00 N ATOM 470 CA LYS A 34 -3.002 12.335 7.639 1.00 0.00 C ATOM 471 C LYS A 34 -2.324 13.061 8.802 1.00 0.00 C ATOM 472 O LYS A 34 -2.869 14.024 9.339 1.00 0.00 O ATOM 473 CB LYS A 34 -3.900 11.176 8.077 1.00 0.00 C ATOM 474 CG LYS A 34 -4.927 10.838 6.995 1.00 0.00 C ATOM 475 CD LYS A 34 -5.848 9.704 7.448 1.00 0.00 C ATOM 476 CE LYS A 34 -7.122 9.661 6.601 1.00 0.00 C ATOM 477 NZ LYS A 34 -8.249 10.287 7.328 1.00 0.00 N ATOM 0 H LYS A 34 -1.891 10.855 6.655 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.662 13.055 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.289 10.299 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.414 11.439 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.520 11.722 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.413 10.549 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.323 8.752 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.109 9.840 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.956 10.181 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.368 8.628 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.106 10.249 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.417 9.774 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.018 11.279 7.540 1.00 0.00 H new ATOM 491 N ASN A 35 -1.145 12.572 9.157 1.00 0.00 N ATOM 492 CA ASN A 35 -0.387 13.162 10.247 1.00 0.00 C ATOM 493 C ASN A 35 0.211 14.493 9.784 1.00 0.00 C ATOM 494 O ASN A 35 0.247 15.459 10.545 1.00 0.00 O ATOM 495 CB ASN A 35 0.765 12.250 10.675 1.00 0.00 C ATOM 496 CG ASN A 35 1.295 12.646 12.055 1.00 0.00 C ATOM 497 OD1 ASN A 35 1.259 13.798 12.454 1.00 0.00 O ATOM 498 ND2 ASN A 35 1.786 11.630 12.757 1.00 0.00 N ATOM 0 H ASN A 35 -0.696 11.773 8.709 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.064 13.306 11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.425 11.214 10.695 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.570 12.307 9.942 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.164 11.791 13.691 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.785 10.690 12.362 1.00 0.00 H new ATOM 505 N LEU A 36 0.665 14.500 8.540 1.00 0.00 N ATOM 506 CA LEU A 36 1.260 15.696 7.967 1.00 0.00 C ATOM 507 C LEU A 36 0.149 16.663 7.553 1.00 0.00 C ATOM 508 O LEU A 36 0.376 17.868 7.455 1.00 0.00 O ATOM 509 CB LEU A 36 2.212 15.328 6.827 1.00 0.00 C ATOM 510 CG LEU A 36 3.461 14.539 7.225 1.00 0.00 C ATOM 511 CD1 LEU A 36 4.085 13.850 6.010 1.00 0.00 C ATOM 512 CD2 LEU A 36 4.465 15.434 7.955 1.00 0.00 C ATOM 0 H LEU A 36 0.633 13.697 7.912 1.00 0.00 H new ATOM 0 HA LEU A 36 1.872 16.210 8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.658 14.746 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.529 16.247 6.334 1.00 0.00 H new ATOM 0 HG LEU A 36 3.162 13.755 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.971 13.296 6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.363 13.162 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.367 14.600 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.344 14.849 8.227 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.763 16.254 7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.004 15.837 8.857 1.00 0.00 H new ATOM 524 N MET A 37 -1.027 16.099 7.319 1.00 0.00 N ATOM 525 CA MET A 37 -2.173 16.897 6.917 1.00 0.00 C ATOM 526 C MET A 37 -2.433 18.025 7.918 1.00 0.00 C ATOM 527 O MET A 37 -2.580 19.183 7.528 1.00 0.00 O ATOM 528 CB MET A 37 -3.410 16.002 6.824 1.00 0.00 C ATOM 529 CG MET A 37 -4.154 16.232 5.506 1.00 0.00 C ATOM 530 SD MET A 37 -5.448 15.017 5.317 1.00 0.00 S ATOM 531 CE MET A 37 -4.558 13.752 4.427 1.00 0.00 C ATOM 0 H MET A 37 -1.211 15.099 7.400 1.00 0.00 H new ATOM 0 HA MET A 37 -1.961 17.341 5.944 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.113 14.956 6.901 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.076 16.207 7.662 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.580 17.235 5.489 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.458 16.168 4.670 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.140 13.439 3.560 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.598 14.147 4.095 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.391 12.896 5.081 1.00 0.00 H new ATOM 541 N SER A 38 -2.482 17.649 9.187 1.00 0.00 N ATOM 542 CA SER A 38 -2.722 18.614 10.246 1.00 0.00 C ATOM 543 C SER A 38 -1.889 19.875 10.003 1.00 0.00 C ATOM 544 O SER A 38 -2.429 20.978 9.945 1.00 0.00 O ATOM 545 CB SER A 38 -2.397 18.020 11.617 1.00 0.00 C ATOM 546 OG SER A 38 -3.483 18.157 12.529 1.00 0.00 O ATOM 0 H SER A 38 -2.359 16.688 9.506 1.00 0.00 H new ATOM 0 HA SER A 38 -3.780 18.877 10.236 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.148 16.965 11.505 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.515 18.513 12.026 1.00 0.00 H new ATOM 0 HG SER A 38 -3.237 17.764 13.392 1.00 0.00 H new ATOM 755 N ASN A 52 6.603 16.297 1.135 1.00 0.00 N ATOM 756 CA ASN A 52 6.607 15.005 1.799 1.00 0.00 C ATOM 757 C ASN A 52 5.310 14.263 1.469 1.00 0.00 C ATOM 758 O ASN A 52 5.330 13.065 1.192 1.00 0.00 O ATOM 759 CB ASN A 52 6.685 15.167 3.318 1.00 0.00 C ATOM 760 CG ASN A 52 7.616 14.120 3.934 1.00 0.00 C ATOM 761 OD1 ASN A 52 7.877 13.073 3.366 1.00 0.00 O ATOM 762 ND2 ASN A 52 8.101 14.461 5.125 1.00 0.00 N ATOM 0 HA ASN A 52 7.477 14.449 1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.044 16.167 3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.688 15.071 3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.732 13.830 5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.842 15.354 5.545 1.00 0.00 H new ATOM 769 N LEU A 53 4.214 15.006 1.509 1.00 0.00 N ATOM 770 CA LEU A 53 2.911 14.433 1.218 1.00 0.00 C ATOM 771 C LEU A 53 2.970 13.697 -0.122 1.00 0.00 C ATOM 772 O LEU A 53 2.745 12.489 -0.181 1.00 0.00 O ATOM 773 CB LEU A 53 1.826 15.511 1.280 1.00 0.00 C ATOM 774 CG LEU A 53 1.754 16.316 2.579 1.00 0.00 C ATOM 775 CD1 LEU A 53 0.892 17.567 2.401 1.00 0.00 C ATOM 776 CD2 LEU A 53 1.266 15.444 3.737 1.00 0.00 C ATOM 0 H LEU A 53 4.201 16.000 1.739 1.00 0.00 H new ATOM 0 HA LEU A 53 2.641 13.697 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.983 16.205 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.859 15.035 1.117 1.00 0.00 H new ATOM 0 HG LEU A 53 2.760 16.651 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.857 18.121 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.322 18.197 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.118 17.275 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.224 16.040 4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.272 15.059 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.954 14.611 3.880 1.00 0.00 H new ATOM 788 N GLN A 54 3.275 14.455 -1.165 1.00 0.00 N ATOM 789 CA GLN A 54 3.367 13.889 -2.500 1.00 0.00 C ATOM 790 C GLN A 54 4.215 12.616 -2.480 1.00 0.00 C ATOM 791 O GLN A 54 3.721 11.531 -2.782 1.00 0.00 O ATOM 792 CB GLN A 54 3.932 14.909 -3.490 1.00 0.00 C ATOM 793 CG GLN A 54 2.813 15.555 -4.311 1.00 0.00 C ATOM 794 CD GLN A 54 2.777 14.987 -5.731 1.00 0.00 C ATOM 795 OE1 GLN A 54 3.771 14.528 -6.269 1.00 0.00 O ATOM 796 NE2 GLN A 54 1.579 15.042 -6.305 1.00 0.00 N ATOM 0 H GLN A 54 3.462 15.456 -1.113 1.00 0.00 H new ATOM 0 HA GLN A 54 2.362 13.627 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.482 15.679 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.641 14.419 -4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.854 15.384 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.963 16.634 -4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.788 15.439 -5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.451 14.687 -7.252 1.00 0.00 H new ATOM 805 N GLN A 55 5.479 12.791 -2.121 1.00 0.00 N ATOM 806 CA GLN A 55 6.401 11.670 -2.057 1.00 0.00 C ATOM 807 C GLN A 55 5.728 10.466 -1.394 1.00 0.00 C ATOM 808 O GLN A 55 5.750 9.362 -1.936 1.00 0.00 O ATOM 809 CB GLN A 55 7.684 12.056 -1.319 1.00 0.00 C ATOM 810 CG GLN A 55 8.888 12.030 -2.262 1.00 0.00 C ATOM 811 CD GLN A 55 10.093 11.363 -1.594 1.00 0.00 C ATOM 812 OE1 GLN A 55 10.641 11.849 -0.618 1.00 0.00 O ATOM 813 NE2 GLN A 55 10.472 10.227 -2.172 1.00 0.00 N ATOM 0 H GLN A 55 5.886 13.692 -1.872 1.00 0.00 H new ATOM 0 HA GLN A 55 6.676 11.393 -3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.575 13.052 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.852 11.368 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.629 11.492 -3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.147 13.047 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.968 9.877 -2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.266 9.706 -1.800 1.00 0.00 H new ATOM 822 N LEU A 56 5.145 10.720 -0.232 1.00 0.00 N ATOM 823 CA LEU A 56 4.467 9.671 0.510 1.00 0.00 C ATOM 824 C LEU A 56 3.466 8.968 -0.408 1.00 0.00 C ATOM 825 O LEU A 56 3.527 7.752 -0.583 1.00 0.00 O ATOM 826 CB LEU A 56 3.839 10.238 1.785 1.00 0.00 C ATOM 827 CG LEU A 56 4.788 10.442 2.967 1.00 0.00 C ATOM 828 CD1 LEU A 56 4.420 11.701 3.755 1.00 0.00 C ATOM 829 CD2 LEU A 56 4.829 9.200 3.859 1.00 0.00 C ATOM 0 H LEU A 56 5.128 11.637 0.214 1.00 0.00 H new ATOM 0 HA LEU A 56 5.180 8.916 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.379 11.196 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.037 9.570 2.100 1.00 0.00 H new ATOM 0 HG LEU A 56 5.794 10.590 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.110 11.823 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.484 12.571 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.403 11.608 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.511 9.372 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.830 8.996 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.175 8.346 3.277 1.00 0.00 H new ATOM 841 N GLN A 57 2.568 9.763 -0.971 1.00 0.00 N ATOM 842 CA GLN A 57 1.555 9.231 -1.868 1.00 0.00 C ATOM 843 C GLN A 57 2.187 8.256 -2.863 1.00 0.00 C ATOM 844 O GLN A 57 1.876 7.065 -2.853 1.00 0.00 O ATOM 845 CB GLN A 57 0.822 10.359 -2.596 1.00 0.00 C ATOM 846 CG GLN A 57 -0.081 11.136 -1.636 1.00 0.00 C ATOM 847 CD GLN A 57 -0.576 12.434 -2.277 1.00 0.00 C ATOM 848 OE1 GLN A 57 -0.107 13.536 -1.698 1.00 0.00 O flip ATOM 849 NE2 GLN A 57 -1.333 12.435 -3.233 1.00 0.00 N flip ATOM 0 H GLN A 57 2.520 10.771 -0.824 1.00 0.00 H new ATOM 0 HA GLN A 57 0.820 8.688 -1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.547 11.036 -3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.224 9.944 -3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.933 10.518 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.466 11.364 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.655 11.552 -3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.644 13.319 -3.636 1.00 0.00 H new ATOM 858 N HIS A 58 3.062 8.796 -3.699 1.00 0.00 N ATOM 859 CA HIS A 58 3.739 7.988 -4.698 1.00 0.00 C ATOM 860 C HIS A 58 4.371 6.766 -4.028 1.00 0.00 C ATOM 861 O HIS A 58 4.156 5.635 -4.462 1.00 0.00 O ATOM 862 CB HIS A 58 4.753 8.827 -5.478 1.00 0.00 C ATOM 863 CG HIS A 58 5.668 8.016 -6.366 1.00 0.00 C ATOM 864 ND1 HIS A 58 5.647 8.108 -7.747 1.00 0.00 N ATOM 865 CD2 HIS A 58 6.629 7.100 -6.055 1.00 0.00 C ATOM 866 CE1 HIS A 58 6.558 7.280 -8.235 1.00 0.00 C ATOM 867 NE2 HIS A 58 7.165 6.655 -7.185 1.00 0.00 N ATOM 0 H HIS A 58 3.317 9.783 -3.705 1.00 0.00 H new ATOM 0 HA HIS A 58 3.016 7.625 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.216 9.550 -6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.359 9.395 -4.772 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.034 8.711 -8.296 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.907 6.789 -5.059 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.781 7.126 -9.280 1.00 0.00 H new ATOM 875 N SER A 59 5.138 7.035 -2.982 1.00 0.00 N ATOM 876 CA SER A 59 5.803 5.972 -2.248 1.00 0.00 C ATOM 877 C SER A 59 4.867 4.769 -2.108 1.00 0.00 C ATOM 878 O SER A 59 5.275 3.631 -2.335 1.00 0.00 O ATOM 879 CB SER A 59 6.257 6.455 -0.869 1.00 0.00 C ATOM 880 OG SER A 59 7.438 5.789 -0.433 1.00 0.00 O ATOM 0 H SER A 59 5.314 7.974 -2.625 1.00 0.00 H new ATOM 0 HA SER A 59 6.689 5.672 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.438 7.529 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.459 6.289 -0.146 1.00 0.00 H new ATOM 0 HG SER A 59 7.697 6.126 0.450 1.00 0.00 H new ATOM 886 N THR A 60 3.630 5.063 -1.733 1.00 0.00 N ATOM 887 CA THR A 60 2.634 4.019 -1.560 1.00 0.00 C ATOM 888 C THR A 60 2.158 3.505 -2.920 1.00 0.00 C ATOM 889 O THR A 60 1.922 2.310 -3.088 1.00 0.00 O ATOM 890 CB THR A 60 1.505 4.583 -0.694 1.00 0.00 C ATOM 891 OG1 THR A 60 2.150 4.949 0.523 1.00 0.00 O ATOM 892 CG2 THR A 60 0.498 3.511 -0.275 1.00 0.00 C ATOM 0 H THR A 60 3.295 6.008 -1.544 1.00 0.00 H new ATOM 0 HA THR A 60 3.054 3.152 -1.049 1.00 0.00 H new ATOM 0 HB THR A 60 0.988 5.372 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.278 4.152 1.078 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.282 3.964 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.049 3.066 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.008 2.738 0.300 1.00 0.00 H new ATOM 900 N ASN A 61 2.031 4.434 -3.856 1.00 0.00 N ATOM 901 CA ASN A 61 1.587 4.089 -5.196 1.00 0.00 C ATOM 902 C ASN A 61 2.423 2.920 -5.721 1.00 0.00 C ATOM 903 O ASN A 61 1.877 1.901 -6.140 1.00 0.00 O ATOM 904 CB ASN A 61 1.767 5.267 -6.156 1.00 0.00 C ATOM 905 CG ASN A 61 0.789 5.173 -7.329 1.00 0.00 C ATOM 906 OD1 ASN A 61 -0.409 5.015 -7.161 1.00 0.00 O ATOM 907 ND2 ASN A 61 1.366 5.279 -8.523 1.00 0.00 N ATOM 0 H ASN A 61 2.228 5.425 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 61 0.531 3.824 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.610 6.204 -5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.790 5.282 -6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.799 5.229 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.375 5.410 -8.592 1.00 0.00 H new ATOM 914 N GLN A 62 3.734 3.107 -5.681 1.00 0.00 N ATOM 915 CA GLN A 62 4.651 2.081 -6.147 1.00 0.00 C ATOM 916 C GLN A 62 4.426 0.778 -5.376 1.00 0.00 C ATOM 917 O GLN A 62 4.082 -0.245 -5.967 1.00 0.00 O ATOM 918 CB GLN A 62 6.103 2.546 -6.025 1.00 0.00 C ATOM 919 CG GLN A 62 6.315 3.877 -6.749 1.00 0.00 C ATOM 920 CD GLN A 62 6.829 3.651 -8.173 1.00 0.00 C ATOM 921 OE1 GLN A 62 7.923 3.159 -8.395 1.00 0.00 O ATOM 922 NE2 GLN A 62 5.980 4.036 -9.121 1.00 0.00 N ATOM 0 H GLN A 62 4.183 3.954 -5.333 1.00 0.00 H new ATOM 0 HA GLN A 62 4.451 1.895 -7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.367 2.654 -4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.767 1.790 -6.444 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.377 4.431 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.027 4.488 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.079 4.441 -8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.229 3.927 -10.104 1.00 0.00 H new ATOM 931 N LEU A 63 4.628 0.859 -4.069 1.00 0.00 N ATOM 932 CA LEU A 63 4.451 -0.301 -3.212 1.00 0.00 C ATOM 933 C LEU A 63 3.236 -1.100 -3.686 1.00 0.00 C ATOM 934 O LEU A 63 3.363 -2.261 -4.072 1.00 0.00 O ATOM 935 CB LEU A 63 4.373 0.125 -1.745 1.00 0.00 C ATOM 936 CG LEU A 63 5.660 -0.030 -0.932 1.00 0.00 C ATOM 937 CD1 LEU A 63 5.580 0.759 0.377 1.00 0.00 C ATOM 938 CD2 LEU A 63 5.984 -1.506 -0.693 1.00 0.00 C ATOM 0 H LEU A 63 4.912 1.709 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 63 5.314 -0.963 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.066 1.170 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.588 -0.456 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 63 6.482 0.390 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.507 0.632 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.431 1.816 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.744 0.392 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.903 -1.587 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.166 -1.974 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.114 -2.010 -1.651 1.00 0.00 H new ATOM 950 N ALA A 64 2.084 -0.446 -3.642 1.00 0.00 N ATOM 951 CA ALA A 64 0.847 -1.081 -4.062 1.00 0.00 C ATOM 952 C ALA A 64 1.099 -1.885 -5.340 1.00 0.00 C ATOM 953 O ALA A 64 0.844 -3.087 -5.382 1.00 0.00 O ATOM 954 CB ALA A 64 -0.237 -0.017 -4.247 1.00 0.00 C ATOM 0 H ALA A 64 1.982 0.517 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 64 0.495 -1.776 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.165 -0.494 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.399 0.505 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.080 0.697 -5.007 1.00 0.00 H new ATOM 960 N LYS A 65 1.596 -1.187 -6.350 1.00 0.00 N ATOM 961 CA LYS A 65 1.886 -1.820 -7.626 1.00 0.00 C ATOM 962 C LYS A 65 2.536 -3.183 -7.378 1.00 0.00 C ATOM 963 O LYS A 65 2.111 -4.190 -7.942 1.00 0.00 O ATOM 964 CB LYS A 65 2.722 -0.891 -8.508 1.00 0.00 C ATOM 965 CG LYS A 65 2.083 0.496 -8.603 1.00 0.00 C ATOM 966 CD LYS A 65 1.762 0.853 -10.056 1.00 0.00 C ATOM 967 CE LYS A 65 0.273 0.661 -10.352 1.00 0.00 C ATOM 968 NZ LYS A 65 0.087 -0.235 -11.515 1.00 0.00 N ATOM 0 H LYS A 65 1.805 -0.189 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 65 0.965 -2.002 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.729 -0.804 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.819 -1.320 -9.505 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.170 0.521 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.758 1.241 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.045 1.887 -10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.353 0.229 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.226 0.241 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.192 1.627 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.929 -0.355 -11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.546 0.181 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.513 -1.162 -11.311 1.00 0.00 H new ATOM 982 N GLU A 66 3.557 -3.170 -6.534 1.00 0.00 N ATOM 983 CA GLU A 66 4.271 -4.392 -6.204 1.00 0.00 C ATOM 984 C GLU A 66 3.324 -5.399 -5.547 1.00 0.00 C ATOM 985 O GLU A 66 3.306 -6.572 -5.916 1.00 0.00 O ATOM 986 CB GLU A 66 5.472 -4.100 -5.303 1.00 0.00 C ATOM 987 CG GLU A 66 6.544 -3.310 -6.057 1.00 0.00 C ATOM 988 CD GLU A 66 7.920 -3.957 -5.891 1.00 0.00 C ATOM 989 OE1 GLU A 66 8.148 -4.987 -6.561 1.00 0.00 O ATOM 990 OE2 GLU A 66 8.714 -3.407 -5.097 1.00 0.00 O ATOM 0 H GLU A 66 3.907 -2.333 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 66 4.650 -4.829 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.147 -3.536 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.894 -5.037 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.287 -3.260 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.573 -2.285 -5.687 1.00 0.00 H new ATOM 997 N THR A 67 2.561 -4.903 -4.584 1.00 0.00 N ATOM 998 CA THR A 67 1.615 -5.745 -3.871 1.00 0.00 C ATOM 999 C THR A 67 0.794 -6.578 -4.858 1.00 0.00 C ATOM 1000 O THR A 67 0.786 -7.806 -4.783 1.00 0.00 O ATOM 1001 CB THR A 67 0.759 -4.843 -2.979 1.00 0.00 C ATOM 1002 OG1 THR A 67 1.654 -3.813 -2.566 1.00 0.00 O ATOM 1003 CG2 THR A 67 0.352 -5.528 -1.673 1.00 0.00 C ATOM 0 H THR A 67 2.578 -3.929 -4.281 1.00 0.00 H new ATOM 0 HA THR A 67 2.128 -6.465 -3.234 1.00 0.00 H new ATOM 0 HB THR A 67 -0.135 -4.538 -3.523 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.390 -3.486 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.254 -4.845 -1.077 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.226 -6.424 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.246 -5.803 -1.113 1.00 0.00 H new ATOM 1011 N ASN A 68 0.123 -5.877 -5.760 1.00 0.00 N ATOM 1012 CA ASN A 68 -0.699 -6.536 -6.761 1.00 0.00 C ATOM 1013 C ASN A 68 0.111 -7.651 -7.425 1.00 0.00 C ATOM 1014 O ASN A 68 -0.342 -8.792 -7.500 1.00 0.00 O ATOM 1015 CB ASN A 68 -1.134 -5.555 -7.850 1.00 0.00 C ATOM 1016 CG ASN A 68 -2.254 -6.148 -8.708 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -2.602 -7.313 -8.601 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -2.796 -5.285 -9.562 1.00 0.00 N ATOM 0 H ASN A 68 0.132 -4.859 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.582 -6.935 -6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.475 -4.626 -7.393 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.281 -5.305 -8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.551 -5.584 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.457 -4.324 -9.600 1.00 0.00 H new ATOM 1025 N GLU A 69 1.296 -7.283 -7.890 1.00 0.00 N ATOM 1026 CA GLU A 69 2.173 -8.238 -8.546 1.00 0.00 C ATOM 1027 C GLU A 69 2.424 -9.440 -7.634 1.00 0.00 C ATOM 1028 O GLU A 69 2.361 -10.585 -8.079 1.00 0.00 O ATOM 1029 CB GLU A 69 3.490 -7.578 -8.960 1.00 0.00 C ATOM 1030 CG GLU A 69 3.318 -6.773 -10.250 1.00 0.00 C ATOM 1031 CD GLU A 69 4.569 -6.870 -11.126 1.00 0.00 C ATOM 1032 OE1 GLU A 69 4.660 -7.866 -11.876 1.00 0.00 O ATOM 1033 OE2 GLU A 69 5.405 -5.946 -11.027 1.00 0.00 O ATOM 0 H GLU A 69 1.669 -6.336 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 69 1.682 -8.591 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.839 -6.923 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.255 -8.342 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.454 -7.143 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.119 -5.729 -10.008 1.00 0.00 H new ATOM 1040 N LEU A 70 2.704 -9.139 -6.374 1.00 0.00 N ATOM 1041 CA LEU A 70 2.965 -10.181 -5.396 1.00 0.00 C ATOM 1042 C LEU A 70 1.731 -11.076 -5.268 1.00 0.00 C ATOM 1043 O LEU A 70 1.838 -12.299 -5.331 1.00 0.00 O ATOM 1044 CB LEU A 70 3.421 -9.569 -4.070 1.00 0.00 C ATOM 1045 CG LEU A 70 4.817 -8.942 -4.065 1.00 0.00 C ATOM 1046 CD1 LEU A 70 5.053 -8.139 -2.785 1.00 0.00 C ATOM 1047 CD2 LEU A 70 5.896 -10.005 -4.283 1.00 0.00 C ATOM 0 H LEU A 70 2.756 -8.188 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 70 3.787 -10.816 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.700 -8.805 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.390 -10.345 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 70 4.881 -8.243 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.052 -7.704 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.312 -7.343 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.963 -8.797 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.879 -9.533 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.843 -10.746 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.736 -10.494 -5.244 1.00 0.00 H new ATOM 1059 N LEU A 71 0.587 -10.430 -5.091 1.00 0.00 N ATOM 1060 CA LEU A 71 -0.666 -11.152 -4.954 1.00 0.00 C ATOM 1061 C LEU A 71 -0.831 -12.109 -6.136 1.00 0.00 C ATOM 1062 O LEU A 71 -1.376 -13.201 -5.984 1.00 0.00 O ATOM 1063 CB LEU A 71 -1.832 -10.175 -4.786 1.00 0.00 C ATOM 1064 CG LEU A 71 -2.016 -9.585 -3.386 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -3.098 -8.503 -3.386 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -2.305 -10.685 -2.362 1.00 0.00 C ATOM 0 H LEU A 71 0.502 -9.415 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.657 -11.761 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.696 -9.354 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.752 -10.687 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.082 -9.107 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.209 -8.100 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.812 -7.702 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.045 -8.935 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.432 -10.239 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.217 -11.212 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.472 -11.388 -2.338 1.00 0.00 H new ATOM 1078 N LYS A 72 -0.350 -11.664 -7.288 1.00 0.00 N ATOM 1079 CA LYS A 72 -0.437 -12.467 -8.495 1.00 0.00 C ATOM 1080 C LYS A 72 0.400 -13.736 -8.320 1.00 0.00 C ATOM 1081 O LYS A 72 -0.050 -14.832 -8.650 1.00 0.00 O ATOM 1082 CB LYS A 72 -0.046 -11.637 -9.720 1.00 0.00 C ATOM 1083 CG LYS A 72 -1.271 -10.955 -10.333 1.00 0.00 C ATOM 1084 CD LYS A 72 -0.868 -9.703 -11.114 1.00 0.00 C ATOM 1085 CE LYS A 72 -0.586 -10.038 -12.580 1.00 0.00 C ATOM 1086 NZ LYS A 72 0.683 -10.790 -12.705 1.00 0.00 N ATOM 0 H LYS A 72 0.101 -10.757 -7.410 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.465 -12.784 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.689 -10.884 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.427 -12.279 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.786 -11.651 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.974 -10.686 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.664 -8.961 -11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.018 -9.258 -10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.407 -10.627 -12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.531 -9.120 -13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.087 -10.635 -13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.355 -10.459 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.500 -11.805 -12.568 1.00 0.00 H new ATOM 1100 N GLU A 73 1.605 -13.545 -7.801 1.00 0.00 N ATOM 1101 CA GLU A 73 2.509 -14.661 -7.578 1.00 0.00 C ATOM 1102 C GLU A 73 1.881 -15.668 -6.612 1.00 0.00 C ATOM 1103 O GLU A 73 1.824 -16.861 -6.904 1.00 0.00 O ATOM 1104 CB GLU A 73 3.863 -14.174 -7.060 1.00 0.00 C ATOM 1105 CG GLU A 73 4.321 -12.923 -7.813 1.00 0.00 C ATOM 1106 CD GLU A 73 5.839 -12.753 -7.722 1.00 0.00 C ATOM 1107 OE1 GLU A 73 6.431 -13.408 -6.837 1.00 0.00 O ATOM 1108 OE2 GLU A 73 6.373 -11.972 -8.539 1.00 0.00 O ATOM 0 H GLU A 73 1.976 -12.635 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 73 2.681 -15.161 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.791 -13.956 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.605 -14.964 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.021 -12.994 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.828 -12.044 -7.399 1.00 0.00 H new ATOM 1115 N LEU A 74 1.427 -15.149 -5.481 1.00 0.00 N ATOM 1116 CA LEU A 74 0.806 -15.988 -4.470 1.00 0.00 C ATOM 1117 C LEU A 74 -0.106 -17.011 -5.151 1.00 0.00 C ATOM 1118 O LEU A 74 0.129 -18.215 -5.059 1.00 0.00 O ATOM 1119 CB LEU A 74 0.092 -15.128 -3.425 1.00 0.00 C ATOM 1120 CG LEU A 74 0.712 -15.120 -2.026 1.00 0.00 C ATOM 1121 CD1 LEU A 74 0.049 -14.064 -1.139 1.00 0.00 C ATOM 1122 CD2 LEU A 74 0.659 -16.512 -1.395 1.00 0.00 C ATOM 0 H LEU A 74 1.477 -14.159 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 74 1.564 -16.550 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.056 -14.102 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.939 -15.473 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 74 1.763 -14.849 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.508 -14.079 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.181 -13.079 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.015 -14.281 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.106 -16.478 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.379 -16.836 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.212 -17.215 -2.018 1.00 0.00 H new ATOM 1134 N GLY A 75 -1.126 -16.494 -5.820 1.00 0.00 N ATOM 1135 CA GLY A 75 -2.073 -17.347 -6.516 1.00 0.00 C ATOM 1136 C GLY A 75 -1.376 -18.166 -7.605 1.00 0.00 C ATOM 1137 O GLY A 75 -1.850 -19.238 -7.979 1.00 0.00 O ATOM 0 H GLY A 75 -1.317 -15.495 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.555 -18.017 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.858 -16.737 -6.962 1.00 0.00 H new ATOM 1141 N SER A 76 -0.263 -17.630 -8.082 1.00 0.00 N ATOM 1142 CA SER A 76 0.504 -18.298 -9.120 1.00 0.00 C ATOM 1143 C SER A 76 1.159 -19.560 -8.556 1.00 0.00 C ATOM 1144 O SER A 76 1.195 -20.595 -9.220 1.00 0.00 O ATOM 1145 CB SER A 76 1.565 -17.365 -9.707 1.00 0.00 C ATOM 1146 OG SER A 76 1.705 -17.534 -11.115 1.00 0.00 O ATOM 0 H SER A 76 0.127 -16.741 -7.769 1.00 0.00 H new ATOM 0 HA SER A 76 -0.178 -18.579 -9.923 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.298 -16.331 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.523 -17.555 -9.222 1.00 0.00 H new ATOM 0 HG SER A 76 2.390 -16.920 -11.452 1.00 0.00 H new ATOM 1152 N LEU A 77 1.662 -19.433 -7.337 1.00 0.00 N ATOM 1153 CA LEU A 77 2.314 -20.551 -6.676 1.00 0.00 C ATOM 1154 C LEU A 77 1.406 -21.780 -6.746 1.00 0.00 C ATOM 1155 O LEU A 77 0.187 -21.650 -6.847 1.00 0.00 O ATOM 1156 CB LEU A 77 2.722 -20.168 -5.252 1.00 0.00 C ATOM 1157 CG LEU A 77 3.604 -18.924 -5.118 1.00 0.00 C ATOM 1158 CD1 LEU A 77 3.804 -18.550 -3.649 1.00 0.00 C ATOM 1159 CD2 LEU A 77 4.935 -19.116 -5.848 1.00 0.00 C ATOM 0 H LEU A 77 1.631 -18.573 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 77 3.240 -20.809 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.817 -20.012 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.249 -21.012 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 77 3.092 -18.088 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.434 -17.663 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.837 -18.343 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.284 -19.377 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.543 -18.218 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.464 -19.968 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.747 -19.299 -6.906 1.00 0.00 H new ATOM 1171 N PRO A 78 2.051 -22.976 -6.688 1.00 0.00 N ATOM 1172 CA PRO A 78 1.315 -24.227 -6.743 1.00 0.00 C ATOM 1173 C PRO A 78 0.606 -24.505 -5.416 1.00 0.00 C ATOM 1174 O PRO A 78 0.440 -23.604 -4.595 1.00 0.00 O ATOM 1175 CB PRO A 78 2.353 -25.279 -7.094 1.00 0.00 C ATOM 1176 CG PRO A 78 3.702 -24.660 -6.766 1.00 0.00 C ATOM 1177 CD PRO A 78 3.493 -23.167 -6.568 1.00 0.00 C ATOM 0 HA PRO A 78 0.516 -24.213 -7.484 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.193 -26.192 -6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.294 -25.550 -8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.120 -25.110 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.412 -24.843 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.856 -22.842 -5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.033 -22.589 -7.318 1.00 0.00 H new ATOM 1185 N LEU A 79 0.206 -25.757 -5.247 1.00 0.00 N ATOM 1186 CA LEU A 79 -0.480 -26.166 -4.033 1.00 0.00 C ATOM 1187 C LEU A 79 0.163 -27.445 -3.494 1.00 0.00 C ATOM 1188 O LEU A 79 0.672 -28.259 -4.262 1.00 0.00 O ATOM 1189 CB LEU A 79 -1.984 -26.293 -4.286 1.00 0.00 C ATOM 1190 CG LEU A 79 -2.705 -25.010 -4.702 1.00 0.00 C ATOM 1191 CD1 LEU A 79 -3.569 -25.244 -5.943 1.00 0.00 C ATOM 1192 CD2 LEU A 79 -3.517 -24.436 -3.538 1.00 0.00 C ATOM 0 H LEU A 79 0.344 -26.501 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.372 -25.405 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.140 -27.042 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.454 -26.672 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.954 -24.267 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.071 -24.316 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.938 -25.573 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.315 -26.010 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.020 -23.524 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.260 -25.166 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.850 -24.208 -2.706 1.00 0.00 H new ATOM 1204 N PRO A 80 0.118 -27.585 -2.142 1.00 0.00 N ATOM 1205 CA PRO A 80 0.690 -28.752 -1.491 1.00 0.00 C ATOM 1206 C PRO A 80 -0.202 -29.980 -1.683 1.00 0.00 C ATOM 1207 O PRO A 80 -1.380 -29.851 -2.013 1.00 0.00 O ATOM 1208 CB PRO A 80 0.845 -28.352 -0.033 1.00 0.00 C ATOM 1209 CG PRO A 80 -0.070 -27.155 0.171 1.00 0.00 C ATOM 1210 CD PRO A 80 -0.477 -26.641 -1.201 1.00 0.00 C ATOM 0 HA PRO A 80 1.651 -29.042 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.568 -29.173 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.880 -28.096 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.949 -27.441 0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.442 -26.375 0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.561 -26.608 -1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.109 -25.629 -1.370 1.00 0.00 H new ATOM 1218 N LEU A 81 0.394 -31.144 -1.469 1.00 0.00 N ATOM 1219 CA LEU A 81 -0.331 -32.394 -1.614 1.00 0.00 C ATOM 1220 C LEU A 81 -1.407 -32.483 -0.530 1.00 0.00 C ATOM 1221 O LEU A 81 -2.451 -33.101 -0.736 1.00 0.00 O ATOM 1222 CB LEU A 81 0.637 -33.578 -1.618 1.00 0.00 C ATOM 1223 CG LEU A 81 1.313 -33.888 -2.956 1.00 0.00 C ATOM 1224 CD1 LEU A 81 0.643 -35.077 -3.646 1.00 0.00 C ATOM 1225 CD2 LEU A 81 1.346 -32.649 -3.853 1.00 0.00 C ATOM 0 H LEU A 81 1.371 -31.247 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.843 -32.428 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.413 -33.389 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.095 -34.466 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 81 2.347 -34.171 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.142 -35.276 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.715 -35.957 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.406 -34.847 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.831 -32.896 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.327 -32.312 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.903 -31.855 -3.356 1.00 0.00 H new ATOM 1237 N SER A 82 -1.116 -31.858 0.601 1.00 0.00 N ATOM 1238 CA SER A 82 -2.046 -31.859 1.718 1.00 0.00 C ATOM 1239 C SER A 82 -3.023 -30.688 1.586 1.00 0.00 C ATOM 1240 O SER A 82 -2.687 -29.657 1.007 1.00 0.00 O ATOM 1241 CB SER A 82 -1.303 -31.782 3.053 1.00 0.00 C ATOM 1242 OG SER A 82 -1.499 -32.953 3.841 1.00 0.00 O ATOM 0 H SER A 82 -0.249 -31.347 0.768 1.00 0.00 H new ATOM 0 HA SER A 82 -2.605 -32.795 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.238 -31.644 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.646 -30.909 3.609 1.00 0.00 H new ATOM 0 HG SER A 82 -1.007 -32.866 4.684 1.00 0.00 H new ATOM 1248 N THR A 83 -4.212 -30.888 2.134 1.00 0.00 N ATOM 1249 CA THR A 83 -5.240 -29.862 2.085 1.00 0.00 C ATOM 1250 C THR A 83 -5.058 -28.869 3.235 1.00 0.00 C ATOM 1251 O THR A 83 -5.202 -27.662 3.046 1.00 0.00 O ATOM 1252 CB THR A 83 -6.603 -30.558 2.094 1.00 0.00 C ATOM 1253 OG1 THR A 83 -6.471 -31.594 1.125 1.00 0.00 O ATOM 1254 CG2 THR A 83 -7.718 -29.669 1.539 1.00 0.00 C ATOM 0 H THR A 83 -4.487 -31.745 2.614 1.00 0.00 H new ATOM 0 HA THR A 83 -5.166 -29.271 1.172 1.00 0.00 H new ATOM 0 HB THR A 83 -6.850 -30.858 3.112 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.310 -32.097 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.664 -30.211 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.798 -28.766 2.144 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.487 -29.396 0.509 1.00 0.00 H new ATOM 1262 N SER A 84 -4.743 -29.414 4.401 1.00 0.00 N ATOM 1263 CA SER A 84 -4.539 -28.591 5.581 1.00 0.00 C ATOM 1264 C SER A 84 -3.687 -27.370 5.226 1.00 0.00 C ATOM 1265 O SER A 84 -3.881 -26.291 5.784 1.00 0.00 O ATOM 1266 CB SER A 84 -3.876 -29.392 6.703 1.00 0.00 C ATOM 1267 OG SER A 84 -4.551 -29.226 7.947 1.00 0.00 O ATOM 0 H SER A 84 -4.624 -30.415 4.554 1.00 0.00 H new ATOM 0 HA SER A 84 -5.513 -28.256 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.863 -30.449 6.436 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.838 -29.077 6.809 1.00 0.00 H new ATOM 0 HG SER A 84 -4.099 -29.754 8.638 1.00 0.00 H new ATOM 1273 N GLU A 85 -2.763 -27.582 4.301 1.00 0.00 N ATOM 1274 CA GLU A 85 -1.881 -26.512 3.865 1.00 0.00 C ATOM 1275 C GLU A 85 -2.561 -25.671 2.783 1.00 0.00 C ATOM 1276 O GLU A 85 -2.435 -24.448 2.771 1.00 0.00 O ATOM 1277 CB GLU A 85 -0.546 -27.070 3.369 1.00 0.00 C ATOM 1278 CG GLU A 85 0.314 -27.555 4.537 1.00 0.00 C ATOM 1279 CD GLU A 85 0.474 -26.459 5.592 1.00 0.00 C ATOM 1280 OE1 GLU A 85 1.102 -25.432 5.254 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -0.035 -26.672 6.714 1.00 0.00 O ATOM 0 H GLU A 85 -2.606 -28.479 3.841 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.673 -25.868 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.726 -27.894 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.010 -26.300 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.143 -28.436 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.295 -27.858 4.170 1.00 0.00 H new ATOM 1288 N GLN A 86 -3.268 -26.361 1.899 1.00 0.00 N ATOM 1289 CA GLN A 86 -3.968 -25.694 0.815 1.00 0.00 C ATOM 1290 C GLN A 86 -4.850 -24.571 1.365 1.00 0.00 C ATOM 1291 O GLN A 86 -4.925 -23.492 0.778 1.00 0.00 O ATOM 1292 CB GLN A 86 -4.794 -26.690 0.000 1.00 0.00 C ATOM 1293 CG GLN A 86 -3.892 -27.565 -0.874 1.00 0.00 C ATOM 1294 CD GLN A 86 -4.664 -28.763 -1.431 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -5.740 -28.635 -1.992 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -4.057 -29.931 -1.246 1.00 0.00 N ATOM 0 H GLN A 86 -3.371 -27.376 1.912 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.227 -25.255 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.377 -27.320 0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.503 -26.151 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.490 -26.972 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.042 -27.916 -0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.157 -29.968 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.492 -30.790 -1.582 1.00 0.00 H new ATOM 1305 N ARG A 87 -5.494 -24.862 2.485 1.00 0.00 N ATOM 1306 CA ARG A 87 -6.368 -23.890 3.120 1.00 0.00 C ATOM 1307 C ARG A 87 -5.544 -22.752 3.726 1.00 0.00 C ATOM 1308 O ARG A 87 -5.739 -21.588 3.379 1.00 0.00 O ATOM 1309 CB ARG A 87 -7.209 -24.542 4.219 1.00 0.00 C ATOM 1310 CG ARG A 87 -8.623 -24.848 3.719 1.00 0.00 C ATOM 1311 CD ARG A 87 -8.742 -26.307 3.274 1.00 0.00 C ATOM 1312 NE ARG A 87 -8.795 -26.382 1.797 1.00 0.00 N ATOM 1313 CZ ARG A 87 -9.740 -25.798 1.047 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -10.718 -25.093 1.632 1.00 0.00 N ATOM 1315 NH2 ARG A 87 -9.708 -25.920 -0.287 1.00 0.00 N ATOM 0 H ARG A 87 -5.428 -25.757 2.970 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.035 -23.493 2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.729 -25.463 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.260 -23.880 5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.345 -24.645 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.869 -24.189 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.892 -26.880 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.639 -26.754 3.702 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.066 -26.912 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.743 -25.001 2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.437 -24.648 1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.964 -26.458 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.427 -25.475 -0.857 1.00 0.00 H new ATOM 1329 N GLN A 88 -4.641 -23.128 4.619 1.00 0.00 N ATOM 1330 CA GLN A 88 -3.787 -22.153 5.276 1.00 0.00 C ATOM 1331 C GLN A 88 -3.135 -21.235 4.240 1.00 0.00 C ATOM 1332 O GLN A 88 -2.817 -20.085 4.537 1.00 0.00 O ATOM 1333 CB GLN A 88 -2.729 -22.844 6.139 1.00 0.00 C ATOM 1334 CG GLN A 88 -3.382 -23.684 7.238 1.00 0.00 C ATOM 1335 CD GLN A 88 -3.343 -22.955 8.583 1.00 0.00 C ATOM 1336 OE1 GLN A 88 -2.363 -22.328 8.949 1.00 0.00 O ATOM 1337 NE2 GLN A 88 -4.460 -23.072 9.294 1.00 0.00 N ATOM 0 H GLN A 88 -4.482 -24.095 4.903 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.405 -21.543 5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.103 -23.480 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.075 -22.096 6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.415 -23.902 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.867 -24.641 7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.244 -23.612 8.927 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.534 -22.621 10.206 1.00 0.00 H new ATOM 1346 N GLN A 89 -2.956 -21.778 3.045 1.00 0.00 N ATOM 1347 CA GLN A 89 -2.348 -21.022 1.963 1.00 0.00 C ATOM 1348 C GLN A 89 -3.328 -19.976 1.430 1.00 0.00 C ATOM 1349 O GLN A 89 -3.080 -18.776 1.538 1.00 0.00 O ATOM 1350 CB GLN A 89 -1.875 -21.951 0.843 1.00 0.00 C ATOM 1351 CG GLN A 89 -0.517 -22.570 1.180 1.00 0.00 C ATOM 1352 CD GLN A 89 0.277 -22.876 -0.092 1.00 0.00 C ATOM 1353 OE1 GLN A 89 -0.219 -22.781 -1.202 1.00 0.00 O ATOM 1354 NE2 GLN A 89 1.534 -23.247 0.132 1.00 0.00 N ATOM 0 H GLN A 89 -3.221 -22.732 2.802 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.473 -20.504 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.610 -22.741 0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.803 -21.393 -0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.051 -21.887 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.663 -23.487 1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.886 -23.306 1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.147 -23.473 -0.652 1.00 0.00 H new ATOM 1363 N ARG A 90 -4.422 -20.468 0.867 1.00 0.00 N ATOM 1364 CA ARG A 90 -5.441 -19.590 0.317 1.00 0.00 C ATOM 1365 C ARG A 90 -5.985 -18.662 1.405 1.00 0.00 C ATOM 1366 O ARG A 90 -6.284 -17.499 1.141 1.00 0.00 O ATOM 1367 CB ARG A 90 -6.596 -20.395 -0.283 1.00 0.00 C ATOM 1368 CG ARG A 90 -7.226 -21.314 0.765 1.00 0.00 C ATOM 1369 CD ARG A 90 -8.234 -22.268 0.122 1.00 0.00 C ATOM 1370 NE ARG A 90 -9.606 -21.922 0.555 1.00 0.00 N ATOM 1371 CZ ARG A 90 -10.718 -22.401 -0.018 1.00 0.00 C ATOM 1372 NH1 ARG A 90 -10.627 -23.250 -1.051 1.00 0.00 N ATOM 1373 NH2 ARG A 90 -11.922 -22.031 0.441 1.00 0.00 N ATOM 0 H ARG A 90 -4.625 -21.464 0.780 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.978 -18.998 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.352 -19.715 -0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.233 -20.989 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.447 -21.887 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.723 -20.715 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.161 -22.209 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.004 -23.296 0.402 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.712 -21.278 1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.711 -23.531 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.474 -23.615 -1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.992 -21.384 1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.768 -22.396 0.004 1.00 0.00 H new ATOM 1387 N LEU A 91 -6.098 -19.212 2.605 1.00 0.00 N ATOM 1388 CA LEU A 91 -6.601 -18.449 3.734 1.00 0.00 C ATOM 1389 C LEU A 91 -5.754 -17.186 3.908 1.00 0.00 C ATOM 1390 O LEU A 91 -6.287 -16.079 3.956 1.00 0.00 O ATOM 1391 CB LEU A 91 -6.665 -19.324 4.987 1.00 0.00 C ATOM 1392 CG LEU A 91 -7.818 -20.328 5.046 1.00 0.00 C ATOM 1393 CD1 LEU A 91 -7.775 -21.137 6.344 1.00 0.00 C ATOM 1394 CD2 LEU A 91 -9.165 -19.629 4.850 1.00 0.00 C ATOM 0 H LEU A 91 -5.850 -20.178 2.820 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.625 -18.124 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.727 -19.873 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.732 -18.672 5.858 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.699 -21.033 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.605 -21.843 6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.833 -21.683 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.856 -20.462 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.967 -20.365 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.308 -18.887 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.181 -19.136 3.878 1.00 0.00 H new ATOM 1406 N GLN A 92 -4.449 -17.395 3.999 1.00 0.00 N ATOM 1407 CA GLN A 92 -3.524 -16.288 4.167 1.00 0.00 C ATOM 1408 C GLN A 92 -3.687 -15.282 3.026 1.00 0.00 C ATOM 1409 O GLN A 92 -3.731 -14.075 3.259 1.00 0.00 O ATOM 1410 CB GLN A 92 -2.081 -16.788 4.255 1.00 0.00 C ATOM 1411 CG GLN A 92 -1.821 -17.480 5.595 1.00 0.00 C ATOM 1412 CD GLN A 92 -1.820 -16.468 6.743 1.00 0.00 C ATOM 1413 OE1 GLN A 92 -2.765 -16.357 7.507 1.00 0.00 O ATOM 1414 NE2 GLN A 92 -0.709 -15.741 6.822 1.00 0.00 N ATOM 0 H GLN A 92 -4.010 -18.315 3.960 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.757 -15.784 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.883 -17.482 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.394 -15.950 4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.586 -18.236 5.772 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.863 -17.998 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.044 -15.886 6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.610 -15.039 7.555 1.00 0.00 H new ATOM 1423 N LYS A 93 -3.772 -15.816 1.816 1.00 0.00 N ATOM 1424 CA LYS A 93 -3.929 -14.980 0.638 1.00 0.00 C ATOM 1425 C LYS A 93 -5.188 -14.124 0.790 1.00 0.00 C ATOM 1426 O LYS A 93 -5.117 -12.897 0.751 1.00 0.00 O ATOM 1427 CB LYS A 93 -3.915 -15.835 -0.631 1.00 0.00 C ATOM 1428 CG LYS A 93 -3.072 -15.178 -1.725 1.00 0.00 C ATOM 1429 CD LYS A 93 -3.556 -15.595 -3.115 1.00 0.00 C ATOM 1430 CE LYS A 93 -4.949 -15.031 -3.403 1.00 0.00 C ATOM 1431 NZ LYS A 93 -5.005 -14.457 -4.765 1.00 0.00 N ATOM 0 H LYS A 93 -3.735 -16.818 1.626 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.087 -14.294 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.516 -16.823 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.935 -15.978 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.125 -14.094 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.026 -15.459 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.854 -15.241 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.579 -16.683 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.695 -15.820 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.196 -14.264 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.957 -14.079 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.307 -13.690 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.790 -15.198 -5.463 1.00 0.00 H new ATOM 1445 N GLU A 94 -6.311 -14.806 0.960 1.00 0.00 N ATOM 1446 CA GLU A 94 -7.584 -14.124 1.117 1.00 0.00 C ATOM 1447 C GLU A 94 -7.421 -12.897 2.018 1.00 0.00 C ATOM 1448 O GLU A 94 -7.820 -11.794 1.648 1.00 0.00 O ATOM 1449 CB GLU A 94 -8.650 -15.072 1.670 1.00 0.00 C ATOM 1450 CG GLU A 94 -8.997 -16.160 0.652 1.00 0.00 C ATOM 1451 CD GLU A 94 -10.007 -15.647 -0.376 1.00 0.00 C ATOM 1452 OE1 GLU A 94 -9.701 -14.611 -1.005 1.00 0.00 O ATOM 1453 OE2 GLU A 94 -11.063 -16.303 -0.510 1.00 0.00 O ATOM 0 H GLU A 94 -6.366 -15.824 0.992 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.918 -13.789 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.291 -15.532 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.547 -14.508 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.091 -16.490 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.407 -17.028 1.168 1.00 0.00 H new ATOM 1460 N ARG A 95 -6.834 -13.132 3.182 1.00 0.00 N ATOM 1461 CA ARG A 95 -6.614 -12.060 4.138 1.00 0.00 C ATOM 1462 C ARG A 95 -5.709 -10.986 3.532 1.00 0.00 C ATOM 1463 O ARG A 95 -6.006 -9.796 3.621 1.00 0.00 O ATOM 1464 CB ARG A 95 -5.974 -12.591 5.423 1.00 0.00 C ATOM 1465 CG ARG A 95 -6.968 -12.555 6.585 1.00 0.00 C ATOM 1466 CD ARG A 95 -7.714 -13.885 6.709 1.00 0.00 C ATOM 1467 NE ARG A 95 -8.453 -13.933 7.991 1.00 0.00 N ATOM 1468 CZ ARG A 95 -7.880 -14.162 9.180 1.00 0.00 C ATOM 1469 NH1 ARG A 95 -6.558 -14.365 9.259 1.00 0.00 N ATOM 1470 NH2 ARG A 95 -8.630 -14.188 10.291 1.00 0.00 N ATOM 0 H ARG A 95 -6.504 -14.048 3.485 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.585 -11.627 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.629 -13.613 5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.097 -11.993 5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.439 -12.342 7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.682 -11.746 6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.407 -14.002 5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.008 -14.714 6.655 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.462 -13.782 7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.988 -14.345 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.122 -14.539 10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.636 -14.033 10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.194 -14.362 11.197 1.00 0.00 H new ATOM 1484 N LEU A 96 -4.622 -11.445 2.928 1.00 0.00 N ATOM 1485 CA LEU A 96 -3.672 -10.538 2.307 1.00 0.00 C ATOM 1486 C LEU A 96 -4.426 -9.540 1.426 1.00 0.00 C ATOM 1487 O LEU A 96 -4.181 -8.337 1.495 1.00 0.00 O ATOM 1488 CB LEU A 96 -2.592 -11.323 1.560 1.00 0.00 C ATOM 1489 CG LEU A 96 -1.514 -11.974 2.429 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -0.606 -12.877 1.591 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -0.719 -10.919 3.199 1.00 0.00 C ATOM 0 H LEU A 96 -4.379 -12.433 2.856 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.146 -9.959 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.078 -12.103 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.105 -10.650 0.854 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.007 -12.607 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.151 -13.327 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.202 -13.663 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.119 -12.285 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.040 -11.409 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.237 -10.241 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.393 -10.354 3.843 1.00 0.00 H new ATOM 1503 N MET A 97 -5.330 -10.076 0.619 1.00 0.00 N ATOM 1504 CA MET A 97 -6.122 -9.248 -0.274 1.00 0.00 C ATOM 1505 C MET A 97 -6.938 -8.220 0.512 1.00 0.00 C ATOM 1506 O MET A 97 -6.797 -7.016 0.301 1.00 0.00 O ATOM 1507 CB MET A 97 -7.066 -10.133 -1.090 1.00 0.00 C ATOM 1508 CG MET A 97 -6.308 -11.301 -1.726 1.00 0.00 C ATOM 1509 SD MET A 97 -6.824 -11.511 -3.422 1.00 0.00 S ATOM 1510 CE MET A 97 -6.427 -9.895 -4.069 1.00 0.00 C ATOM 0 H MET A 97 -5.531 -11.074 0.565 1.00 0.00 H new ATOM 0 HA MET A 97 -5.444 -8.714 -0.940 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.858 -10.516 -0.447 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.546 -9.539 -1.868 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.235 -11.115 -1.684 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.495 -12.216 -1.164 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.326 -9.438 -4.483 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.037 -9.268 -3.267 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.675 -9.991 -4.852 1.00 0.00 H new ATOM 1520 N ASN A 98 -7.774 -8.732 1.403 1.00 0.00 N ATOM 1521 CA ASN A 98 -8.614 -7.873 2.222 1.00 0.00 C ATOM 1522 C ASN A 98 -7.733 -6.874 2.975 1.00 0.00 C ATOM 1523 O ASN A 98 -7.959 -5.667 2.906 1.00 0.00 O ATOM 1524 CB ASN A 98 -9.393 -8.688 3.256 1.00 0.00 C ATOM 1525 CG ASN A 98 -10.899 -8.607 2.996 1.00 0.00 C ATOM 1526 OD1 ASN A 98 -11.654 -8.019 3.751 1.00 0.00 O ATOM 1527 ND2 ASN A 98 -11.291 -9.230 1.888 1.00 0.00 N ATOM 0 H ASN A 98 -7.888 -9.731 1.576 1.00 0.00 H new ATOM 0 HA ASN A 98 -9.315 -7.361 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.070 -9.728 3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.173 -8.318 4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.277 -9.234 1.627 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.606 -9.704 1.300 1.00 0.00 H new ATOM 1534 N ASP A 99 -6.747 -7.414 3.676 1.00 0.00 N ATOM 1535 CA ASP A 99 -5.831 -6.585 4.441 1.00 0.00 C ATOM 1536 C ASP A 99 -5.268 -5.486 3.537 1.00 0.00 C ATOM 1537 O ASP A 99 -5.364 -4.303 3.859 1.00 0.00 O ATOM 1538 CB ASP A 99 -4.656 -7.408 4.972 1.00 0.00 C ATOM 1539 CG ASP A 99 -4.832 -7.945 6.394 1.00 0.00 C ATOM 1540 OD1 ASP A 99 -5.821 -7.532 7.037 1.00 0.00 O ATOM 1541 OD2 ASP A 99 -3.973 -8.754 6.806 1.00 0.00 O ATOM 0 H ASP A 99 -6.562 -8.416 3.730 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.382 -6.160 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.489 -8.250 4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.757 -6.792 4.941 1.00 0.00 H new ATOM 1546 N PHE A 100 -4.693 -5.917 2.424 1.00 0.00 N ATOM 1547 CA PHE A 100 -4.115 -4.985 1.471 1.00 0.00 C ATOM 1548 C PHE A 100 -5.142 -3.935 1.039 1.00 0.00 C ATOM 1549 O PHE A 100 -4.815 -2.756 0.916 1.00 0.00 O ATOM 1550 CB PHE A 100 -3.692 -5.800 0.247 1.00 0.00 C ATOM 1551 CG PHE A 100 -3.444 -4.958 -1.006 1.00 0.00 C ATOM 1552 CD1 PHE A 100 -2.435 -4.047 -1.024 1.00 0.00 C ATOM 1553 CD2 PHE A 100 -4.233 -5.121 -2.102 1.00 0.00 C ATOM 1554 CE1 PHE A 100 -2.204 -3.266 -2.187 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -4.003 -4.340 -3.265 1.00 0.00 C ATOM 1556 CZ PHE A 100 -2.993 -3.429 -3.283 1.00 0.00 C ATOM 0 H PHE A 100 -4.615 -6.899 2.161 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.271 -4.465 1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.783 -6.352 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.465 -6.537 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.809 -3.917 -0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.035 -5.845 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.402 -2.543 -2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.630 -4.469 -4.135 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.817 -2.835 -4.168 1.00 0.00 H new ATOM 1566 N SER A 101 -6.362 -4.402 0.822 1.00 0.00 N ATOM 1567 CA SER A 101 -7.439 -3.518 0.407 1.00 0.00 C ATOM 1568 C SER A 101 -7.693 -2.462 1.483 1.00 0.00 C ATOM 1569 O SER A 101 -7.652 -1.264 1.205 1.00 0.00 O ATOM 1570 CB SER A 101 -8.719 -4.306 0.123 1.00 0.00 C ATOM 1571 OG SER A 101 -9.869 -3.674 0.679 1.00 0.00 O ATOM 0 H SER A 101 -6.629 -5.381 0.926 1.00 0.00 H new ATOM 0 HA SER A 101 -7.138 -3.022 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.848 -4.412 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.624 -5.312 0.533 1.00 0.00 H new ATOM 0 HG SER A 101 -10.666 -4.207 0.475 1.00 0.00 H new ATOM 1577 N ALA A 102 -7.950 -2.943 2.691 1.00 0.00 N ATOM 1578 CA ALA A 102 -8.211 -2.054 3.810 1.00 0.00 C ATOM 1579 C ALA A 102 -7.132 -0.971 3.858 1.00 0.00 C ATOM 1580 O ALA A 102 -7.414 0.177 4.199 1.00 0.00 O ATOM 1581 CB ALA A 102 -8.277 -2.869 5.104 1.00 0.00 C ATOM 0 H ALA A 102 -7.983 -3.937 2.919 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.173 -1.556 3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.473 -2.203 5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.078 -3.605 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.327 -3.381 5.261 1.00 0.00 H new ATOM 1587 N ALA A 103 -5.918 -1.373 3.511 1.00 0.00 N ATOM 1588 CA ALA A 103 -4.796 -0.451 3.510 1.00 0.00 C ATOM 1589 C ALA A 103 -4.867 0.432 2.263 1.00 0.00 C ATOM 1590 O ALA A 103 -4.458 1.591 2.294 1.00 0.00 O ATOM 1591 CB ALA A 103 -3.487 -1.239 3.592 1.00 0.00 C ATOM 0 H ALA A 103 -5.687 -2.326 3.229 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.838 0.204 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.645 -0.547 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.473 -1.827 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.409 -1.906 2.733 1.00 0.00 H new ATOM 1597 N LEU A 104 -5.391 -0.151 1.194 1.00 0.00 N ATOM 1598 CA LEU A 104 -5.521 0.568 -0.062 1.00 0.00 C ATOM 1599 C LEU A 104 -6.588 1.655 0.086 1.00 0.00 C ATOM 1600 O LEU A 104 -6.290 2.843 -0.032 1.00 0.00 O ATOM 1601 CB LEU A 104 -5.791 -0.405 -1.211 1.00 0.00 C ATOM 1602 CG LEU A 104 -6.411 0.201 -2.472 1.00 0.00 C ATOM 1603 CD1 LEU A 104 -5.379 1.016 -3.254 1.00 0.00 C ATOM 1604 CD2 LEU A 104 -7.062 -0.881 -3.336 1.00 0.00 C ATOM 0 H LEU A 104 -5.730 -1.113 1.172 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.586 1.069 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.850 -0.882 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.452 -1.191 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.200 0.889 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.846 1.435 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.003 1.824 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.552 0.370 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.495 -0.424 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.309 -1.611 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.846 -1.379 -2.766 1.00 0.00 H new ATOM 1616 N ASN A 105 -7.809 1.210 0.343 1.00 0.00 N ATOM 1617 CA ASN A 105 -8.922 2.129 0.508 1.00 0.00 C ATOM 1618 C ASN A 105 -8.475 3.314 1.367 1.00 0.00 C ATOM 1619 O ASN A 105 -8.789 4.463 1.057 1.00 0.00 O ATOM 1620 CB ASN A 105 -10.097 1.450 1.215 1.00 0.00 C ATOM 1621 CG ASN A 105 -11.368 2.295 1.099 1.00 0.00 C ATOM 1622 OD1 ASN A 105 -11.579 3.018 0.140 1.00 0.00 O ATOM 1623 ND2 ASN A 105 -12.201 2.162 2.128 1.00 0.00 N ATOM 0 H ASN A 105 -8.052 0.224 0.441 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.238 2.458 -0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.269 0.466 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.853 1.295 2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.078 2.683 2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.963 1.539 2.900 1.00 0.00 H new ATOM 1630 N ASN A 106 -7.749 2.995 2.428 1.00 0.00 N ATOM 1631 CA ASN A 106 -7.256 4.019 3.333 1.00 0.00 C ATOM 1632 C ASN A 106 -6.531 5.099 2.528 1.00 0.00 C ATOM 1633 O ASN A 106 -6.846 6.282 2.645 1.00 0.00 O ATOM 1634 CB ASN A 106 -6.264 3.433 4.340 1.00 0.00 C ATOM 1635 CG ASN A 106 -6.721 3.693 5.776 1.00 0.00 C ATOM 1636 OD1 ASN A 106 -7.318 4.710 6.090 1.00 0.00 O ATOM 1637 ND2 ASN A 106 -6.409 2.721 6.628 1.00 0.00 N ATOM 0 H ASN A 106 -7.490 2.041 2.681 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.109 4.435 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.164 2.360 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.279 3.872 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.671 2.801 7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.908 1.896 6.299 1.00 0.00 H new ATOM 1644 N PHE A 107 -5.573 4.653 1.728 1.00 0.00 N ATOM 1645 CA PHE A 107 -4.801 5.567 0.904 1.00 0.00 C ATOM 1646 C PHE A 107 -5.716 6.406 0.011 1.00 0.00 C ATOM 1647 O PHE A 107 -5.520 7.613 -0.125 1.00 0.00 O ATOM 1648 CB PHE A 107 -3.891 4.711 0.020 1.00 0.00 C ATOM 1649 CG PHE A 107 -2.891 5.519 -0.809 1.00 0.00 C ATOM 1650 CD1 PHE A 107 -2.379 6.679 -0.317 1.00 0.00 C ATOM 1651 CD2 PHE A 107 -2.513 5.077 -2.039 1.00 0.00 C ATOM 1652 CE1 PHE A 107 -1.451 7.429 -1.087 1.00 0.00 C ATOM 1653 CE2 PHE A 107 -1.585 5.827 -2.809 1.00 0.00 C ATOM 1654 CZ PHE A 107 -1.074 6.987 -2.317 1.00 0.00 C ATOM 0 H PHE A 107 -5.314 3.671 1.633 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.231 6.248 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.343 4.011 0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.509 4.117 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.678 7.030 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.919 4.156 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.045 8.350 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.285 5.476 -3.785 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.369 7.558 -2.903 1.00 0.00 H new ATOM 1664 N GLN A 108 -6.696 5.735 -0.576 1.00 0.00 N ATOM 1665 CA GLN A 108 -7.642 6.404 -1.452 1.00 0.00 C ATOM 1666 C GLN A 108 -8.348 7.537 -0.705 1.00 0.00 C ATOM 1667 O GLN A 108 -8.182 8.708 -1.045 1.00 0.00 O ATOM 1668 CB GLN A 108 -8.655 5.411 -2.026 1.00 0.00 C ATOM 1669 CG GLN A 108 -8.062 4.644 -3.209 1.00 0.00 C ATOM 1670 CD GLN A 108 -9.163 4.157 -4.154 1.00 0.00 C ATOM 1671 OE1 GLN A 108 -10.196 4.783 -4.319 1.00 0.00 O ATOM 1672 NE2 GLN A 108 -8.884 3.007 -4.762 1.00 0.00 N ATOM 0 H GLN A 108 -6.855 4.734 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.091 6.835 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.961 4.709 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.551 5.944 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.369 5.286 -3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.488 3.792 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.999 2.535 -4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.555 2.598 -5.412 1.00 0.00 H new ATOM 1681 N ALA A 109 -9.121 7.150 0.300 1.00 0.00 N ATOM 1682 CA ALA A 109 -9.852 8.119 1.098 1.00 0.00 C ATOM 1683 C ALA A 109 -8.913 9.261 1.493 1.00 0.00 C ATOM 1684 O ALA A 109 -9.362 10.377 1.751 1.00 0.00 O ATOM 1685 CB ALA A 109 -10.464 7.421 2.314 1.00 0.00 C ATOM 0 H ALA A 109 -9.257 6.178 0.579 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.671 8.550 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.013 8.148 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.145 6.638 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.671 6.979 2.917 1.00 0.00 H new ATOM 1691 N VAL A 110 -7.628 8.942 1.527 1.00 0.00 N ATOM 1692 CA VAL A 110 -6.622 9.928 1.886 1.00 0.00 C ATOM 1693 C VAL A 110 -6.260 10.754 0.650 1.00 0.00 C ATOM 1694 O VAL A 110 -6.108 11.972 0.736 1.00 0.00 O ATOM 1695 CB VAL A 110 -5.412 9.235 2.516 1.00 0.00 C ATOM 1696 CG1 VAL A 110 -4.185 10.149 2.498 1.00 0.00 C ATOM 1697 CG2 VAL A 110 -5.728 8.769 3.939 1.00 0.00 C ATOM 0 H VAL A 110 -7.260 8.015 1.312 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.013 10.617 2.635 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.181 8.354 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.339 9.632 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.941 10.410 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.400 11.057 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.852 8.280 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.997 9.629 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.561 8.066 3.915 1.00 0.00 H new ATOM 1707 N GLN A 111 -6.132 10.059 -0.471 1.00 0.00 N ATOM 1708 CA GLN A 111 -5.791 10.714 -1.722 1.00 0.00 C ATOM 1709 C GLN A 111 -6.787 11.836 -2.023 1.00 0.00 C ATOM 1710 O GLN A 111 -6.405 12.894 -2.520 1.00 0.00 O ATOM 1711 CB GLN A 111 -5.738 9.706 -2.872 1.00 0.00 C ATOM 1712 CG GLN A 111 -7.040 9.720 -3.675 1.00 0.00 C ATOM 1713 CD GLN A 111 -7.074 8.570 -4.684 1.00 0.00 C ATOM 1714 OE1 GLN A 111 -6.402 7.562 -4.538 1.00 0.00 O ATOM 1715 NE2 GLN A 111 -7.893 8.776 -5.711 1.00 0.00 N ATOM 0 H GLN A 111 -6.258 9.049 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.798 11.153 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.900 9.941 -3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.562 8.706 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.890 9.640 -2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.138 10.671 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.427 9.643 -5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.988 8.067 -6.438 1.00 0.00 H new ATOM 1724 N ARG A 112 -8.046 11.566 -1.709 1.00 0.00 N ATOM 1725 CA ARG A 112 -9.100 12.540 -1.940 1.00 0.00 C ATOM 1726 C ARG A 112 -8.888 13.771 -1.056 1.00 0.00 C ATOM 1727 O ARG A 112 -8.687 14.874 -1.561 1.00 0.00 O ATOM 1728 CB ARG A 112 -10.477 11.941 -1.646 1.00 0.00 C ATOM 1729 CG ARG A 112 -11.583 12.975 -1.866 1.00 0.00 C ATOM 1730 CD ARG A 112 -12.148 13.465 -0.531 1.00 0.00 C ATOM 1731 NE ARG A 112 -12.764 14.800 -0.702 1.00 0.00 N ATOM 1732 CZ ARG A 112 -13.436 15.446 0.260 1.00 0.00 C ATOM 1733 NH1 ARG A 112 -13.583 14.884 1.467 1.00 0.00 N ATOM 1734 NH2 ARG A 112 -13.961 16.654 0.015 1.00 0.00 N ATOM 0 H ARG A 112 -8.360 10.687 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.059 12.831 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.647 11.078 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.509 11.582 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.189 13.820 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.382 12.537 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.890 12.758 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.353 13.515 0.213 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.671 15.257 -1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.183 13.964 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.095 15.376 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -13.849 17.082 -0.904 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.473 17.146 0.748 1.00 0.00 H new ATOM 1748 N ARG A 113 -8.941 13.540 0.247 1.00 0.00 N ATOM 1749 CA ARG A 113 -8.757 14.616 1.206 1.00 0.00 C ATOM 1750 C ARG A 113 -7.595 15.515 0.778 1.00 0.00 C ATOM 1751 O ARG A 113 -7.722 16.739 0.774 1.00 0.00 O ATOM 1752 CB ARG A 113 -8.478 14.066 2.606 1.00 0.00 C ATOM 1753 CG ARG A 113 -9.683 14.273 3.526 1.00 0.00 C ATOM 1754 CD ARG A 113 -9.428 15.414 4.514 1.00 0.00 C ATOM 1755 NE ARG A 113 -10.080 16.653 4.035 1.00 0.00 N ATOM 1756 CZ ARG A 113 -10.084 17.809 4.711 1.00 0.00 C ATOM 1757 NH1 ARG A 113 -9.471 17.892 5.900 1.00 0.00 N ATOM 1758 NH2 ARG A 113 -10.701 18.883 4.200 1.00 0.00 N ATOM 0 H ARG A 113 -9.109 12.623 0.662 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.679 15.196 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.242 13.004 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.604 14.562 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.567 14.495 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.890 13.353 4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.814 15.147 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.356 15.577 4.625 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.556 16.625 3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.001 17.075 6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.474 18.772 6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.168 18.820 3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.704 19.763 4.716 1.00 0.00 H new ATOM 1772 N VAL A 114 -6.490 14.874 0.429 1.00 0.00 N ATOM 1773 CA VAL A 114 -5.306 15.600 0.001 1.00 0.00 C ATOM 1774 C VAL A 114 -5.671 16.516 -1.169 1.00 0.00 C ATOM 1775 O VAL A 114 -5.353 17.705 -1.154 1.00 0.00 O ATOM 1776 CB VAL A 114 -4.183 14.618 -0.337 1.00 0.00 C ATOM 1777 CG1 VAL A 114 -3.060 15.314 -1.108 1.00 0.00 C ATOM 1778 CG2 VAL A 114 -3.646 13.944 0.927 1.00 0.00 C ATOM 0 H VAL A 114 -6.389 13.859 0.434 1.00 0.00 H new ATOM 0 HA VAL A 114 -4.934 16.233 0.807 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.598 13.842 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.274 14.594 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.456 15.724 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -2.648 16.121 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.849 13.251 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.255 14.702 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.451 13.398 1.418 1.00 0.00 H new ATOM 1788 N SER A 115 -6.334 15.929 -2.155 1.00 0.00 N ATOM 1789 CA SER A 115 -6.745 16.678 -3.330 1.00 0.00 C ATOM 1790 C SER A 115 -7.490 17.946 -2.908 1.00 0.00 C ATOM 1791 O SER A 115 -7.189 19.037 -3.390 1.00 0.00 O ATOM 1792 CB SER A 115 -7.625 15.825 -4.246 1.00 0.00 C ATOM 1793 OG SER A 115 -7.074 14.528 -4.460 1.00 0.00 O ATOM 0 H SER A 115 -6.597 14.943 -2.164 1.00 0.00 H new ATOM 0 HA SER A 115 -5.851 16.958 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.618 15.729 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.747 16.330 -5.204 1.00 0.00 H new ATOM 0 HG SER A 115 -7.247 13.966 -3.676 1.00 0.00 H new ATOM 1799 N GLU A 116 -8.449 17.760 -2.013 1.00 0.00 N ATOM 1800 CA GLU A 116 -9.240 18.876 -1.521 1.00 0.00 C ATOM 1801 C GLU A 116 -8.325 19.979 -0.984 1.00 0.00 C ATOM 1802 O GLU A 116 -8.547 21.159 -1.251 1.00 0.00 O ATOM 1803 CB GLU A 116 -10.230 18.415 -0.450 1.00 0.00 C ATOM 1804 CG GLU A 116 -11.532 19.216 -0.526 1.00 0.00 C ATOM 1805 CD GLU A 116 -12.012 19.617 0.870 1.00 0.00 C ATOM 1806 OE1 GLU A 116 -12.582 18.736 1.549 1.00 0.00 O ATOM 1807 OE2 GLU A 116 -11.798 20.795 1.227 1.00 0.00 O ATOM 0 H GLU A 116 -8.696 16.854 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.817 19.282 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.443 17.354 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.784 18.532 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.379 20.109 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.300 18.622 -1.022 1.00 0.00 H new ATOM 1814 N LYS A 117 -7.316 19.555 -0.238 1.00 0.00 N ATOM 1815 CA LYS A 117 -6.367 20.492 0.339 1.00 0.00 C ATOM 1816 C LYS A 117 -5.742 21.330 -0.778 1.00 0.00 C ATOM 1817 O LYS A 117 -5.742 22.559 -0.712 1.00 0.00 O ATOM 1818 CB LYS A 117 -5.341 19.754 1.201 1.00 0.00 C ATOM 1819 CG LYS A 117 -5.905 19.458 2.592 1.00 0.00 C ATOM 1820 CD LYS A 117 -5.868 20.707 3.476 1.00 0.00 C ATOM 1821 CE LYS A 117 -4.793 20.582 4.557 1.00 0.00 C ATOM 1822 NZ LYS A 117 -5.404 20.634 5.904 1.00 0.00 N ATOM 0 H LYS A 117 -7.135 18.575 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.875 21.183 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -5.056 18.821 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.437 20.356 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -6.931 19.101 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.329 18.660 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.671 21.586 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.842 20.856 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.251 19.644 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.066 21.387 4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -4.660 20.548 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.901 21.540 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.081 19.851 6.009 1.00 0.00 H new ATOM 1836 N GLU A 118 -5.223 20.633 -1.778 1.00 0.00 N ATOM 1837 CA GLU A 118 -4.597 21.298 -2.908 1.00 0.00 C ATOM 1838 C GLU A 118 -5.607 22.198 -3.622 1.00 0.00 C ATOM 1839 O GLU A 118 -5.227 23.172 -4.270 1.00 0.00 O ATOM 1840 CB GLU A 118 -3.990 20.280 -3.876 1.00 0.00 C ATOM 1841 CG GLU A 118 -2.559 19.923 -3.470 1.00 0.00 C ATOM 1842 CD GLU A 118 -1.563 20.950 -4.011 1.00 0.00 C ATOM 1843 OE1 GLU A 118 -1.478 21.059 -5.253 1.00 0.00 O ATOM 1844 OE2 GLU A 118 -0.909 21.604 -3.170 1.00 0.00 O ATOM 0 H GLU A 118 -5.223 19.614 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 118 -3.786 21.922 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.603 19.379 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.994 20.687 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.486 19.878 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.306 18.932 -3.848 1.00 0.00 H new