USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 13 LYS NZ :NH3+ -104:sc= -0.567 (180deg=-3.47!) USER MOD Set 1.2: B 81 ASN : amide:sc= -0.817 K(o=-0.48,f=-7.3!) USER MOD Set 1.3: B 84 THR OG1 : rot 72:sc= 0.905 USER MOD Set 2.1: A 52 GLN :FLIP amide:sc= -5.44! C(o=-13!,f=-10!) USER MOD Set 2.2: B 56 SER OG : rot 68:sc= 2.16 USER MOD Set 2.3: B 60 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.257) USER MOD Set 2.4: B 64 GLN : amide:sc= -6.71! C(o=-10!,f=-12!) USER MOD Set 3.1: B 45 HIS : no HD1:sc= -0.716 K(o=-0.57,f=-1.9!) USER MOD Set 3.2: B 75 THR OG1 : rot -151:sc= 0.15 USER MOD Single : B 14 LYS NZ :NH3+ 167:sc= 0.76 (180deg=0.234) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.0295 F(o=-1.4!,f=-0.029) USER MOD Single : B 18 LYS NZ :NH3+ -159:sc= -0.507 (180deg=-1.35!) USER MOD Single : B 19 LYS NZ :NH3+ 152:sc= -0.163 (180deg=-0.828) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 170:sc= 0 (180deg=-0.191) USER MOD Single : B 42 THR OG1 : rot 155:sc= 0.0934 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -158:sc= -0.163 (180deg=-1.11) USER MOD Single : B 47 TYR OH : rot 139:sc= 1.17 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 180:sc= -3.27! USER MOD Single : B 53 GLN : amide:sc= -3.97! C(o=-4!,f=-12!) USER MOD Single : B 54 LYS NZ :NH3+ 171:sc= 1.26 (180deg=0.992) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -3.24! C(o=-3.2!,f=-4.9!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.415 F(o=-3.6,f=-0.41) USER MOD Single : B 74 THR OG1 : rot 36:sc= 0.148 USER MOD Single : B 76 ASN : amide:sc= -2.22 K(o=-2.2,f=-4.9!) USER MOD Single : B 78 HIS : no HD1:sc= -3.15 X(o=-3.2,f=-2.8!) USER MOD Single : B 80 SER OG : rot -44:sc= 0.988 USER MOD Single : B 83 SER OG : rot 180:sc= 0.118 USER MOD Single : B 87 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.16) USER MOD Single : B 93 LYS NZ :NH3+ -169:sc= 1.43 (180deg=1.01) USER MOD Single : B 97 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.18) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 102 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.621 7.944 14.310 1.00 0.00 N ATOM 135 CA ILE A 50 -1.540 7.593 13.292 1.00 0.00 C ATOM 136 C ILE A 50 -2.182 6.233 13.518 1.00 0.00 C ATOM 137 O ILE A 50 -1.582 5.177 13.328 1.00 0.00 O ATOM 138 CB ILE A 50 -0.826 7.706 11.927 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.170 9.029 11.273 1.00 0.00 C ATOM 140 CG2 ILE A 50 -1.162 6.578 10.995 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.208 9.407 10.183 1.00 0.00 C ATOM 0 HA ILE A 50 -2.378 8.290 13.311 1.00 0.00 H new ATOM 0 HB ILE A 50 0.244 7.649 12.125 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.177 8.974 10.860 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.179 9.812 12.031 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.630 6.713 10.053 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.865 5.632 11.447 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.236 6.569 10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.505 10.363 9.751 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.796 9.492 10.598 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.217 8.641 9.408 1.00 0.00 H new ATOM 153 N GLU A 51 -3.392 6.304 14.026 1.00 0.00 N ATOM 154 CA GLU A 51 -4.232 5.138 14.225 1.00 0.00 C ATOM 155 C GLU A 51 -5.684 5.546 14.046 1.00 0.00 C ATOM 156 O GLU A 51 -6.609 4.945 14.579 1.00 0.00 O ATOM 157 CB GLU A 51 -3.990 4.423 15.552 1.00 0.00 C ATOM 158 CG GLU A 51 -3.088 3.205 15.395 1.00 0.00 C ATOM 159 CD GLU A 51 -3.539 2.293 14.263 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.352 1.380 14.515 1.00 0.00 O ATOM 161 OE2 GLU A 51 -3.089 2.495 13.114 1.00 0.00 O ATOM 0 H GLU A 51 -3.827 7.180 14.316 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.964 4.397 13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.539 5.118 16.260 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.946 4.113 15.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.066 3.534 15.208 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.075 2.642 16.329 1.00 0.00 H new ATOM 168 N GLN A 52 -5.841 6.612 13.272 1.00 0.00 N ATOM 169 CA GLN A 52 -7.139 7.135 12.892 1.00 0.00 C ATOM 170 C GLN A 52 -7.413 6.592 11.520 1.00 0.00 C ATOM 171 O GLN A 52 -7.113 7.193 10.486 1.00 0.00 O ATOM 172 CB GLN A 52 -7.169 8.675 12.942 1.00 0.00 C ATOM 173 CG GLN A 52 -6.260 9.377 11.929 1.00 0.00 C ATOM 174 CD GLN A 52 -4.780 9.116 12.145 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.241 8.128 11.438 1.00 0.00 O flip ATOM 176 NE2 GLN A 52 -4.124 9.801 12.925 1.00 0.00 N flip ATOM 0 H GLN A 52 -5.058 7.141 12.888 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.918 6.824 13.588 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.194 9.008 12.779 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.885 8.996 13.944 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.533 9.053 10.925 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.440 10.451 11.977 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.575 10.550 13.449 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.128 9.621 13.049 1.00 0.00 H new ATOM 185 N TRP A 53 -7.922 5.399 11.525 1.00 0.00 N ATOM 186 CA TRP A 53 -8.163 4.702 10.311 1.00 0.00 C ATOM 187 C TRP A 53 -9.545 4.132 10.248 1.00 0.00 C ATOM 188 O TRP A 53 -10.333 4.221 11.185 1.00 0.00 O ATOM 189 CB TRP A 53 -7.175 3.547 10.208 1.00 0.00 C ATOM 190 CG TRP A 53 -5.741 3.961 10.202 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.999 4.405 11.238 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.894 3.952 9.086 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.718 4.692 10.819 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.633 4.418 9.483 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.101 3.595 7.788 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.575 4.533 8.576 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.087 3.700 6.906 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.836 4.164 7.287 1.00 0.00 C ATOM 0 H TRP A 53 -8.179 4.887 12.369 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.047 5.414 9.493 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.341 2.867 11.044 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.383 2.987 9.296 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.358 4.519 12.250 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.963 5.048 11.405 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.067 3.232 7.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.603 4.894 8.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.252 3.416 5.877 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.051 4.235 6.548 1.00 0.00 H new ATOM 209 N PHE A 54 -9.826 3.614 9.084 1.00 0.00 N ATOM 210 CA PHE A 54 -11.041 2.915 8.816 1.00 0.00 C ATOM 211 C PHE A 54 -10.589 1.548 8.443 1.00 0.00 C ATOM 212 O PHE A 54 -10.164 1.329 7.305 1.00 0.00 O ATOM 213 CB PHE A 54 -11.814 3.531 7.663 1.00 0.00 C ATOM 214 CG PHE A 54 -12.012 4.999 7.793 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.232 5.577 9.029 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.998 5.799 6.674 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.442 6.920 9.145 1.00 0.00 C ATOM 218 CE2 PHE A 54 -12.201 7.144 6.777 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.429 7.716 8.018 1.00 0.00 C ATOM 0 H PHE A 54 -9.199 3.670 8.281 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.714 2.940 9.673 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.286 3.326 6.732 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.788 3.047 7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.238 4.958 9.914 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.824 5.358 5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.618 7.359 10.116 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.184 7.762 5.892 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.596 8.780 8.103 1.00 0.00 H new ATOM 246 N GLU A 56 -10.950 -1.096 6.969 1.00 0.00 N ATOM 247 CA GLU A 56 -11.719 -1.720 5.900 1.00 0.00 C ATOM 248 C GLU A 56 -11.921 -3.213 6.115 1.00 0.00 C ATOM 249 O GLU A 56 -13.036 -3.725 6.003 1.00 0.00 O ATOM 250 CB GLU A 56 -10.978 -1.503 4.588 1.00 0.00 C ATOM 251 CG GLU A 56 -11.230 -0.135 3.970 1.00 0.00 C ATOM 252 CD GLU A 56 -11.765 -0.226 2.553 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.357 -1.153 1.819 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.580 0.637 2.166 1.00 0.00 O ATOM 0 HA GLU A 56 -12.707 -1.260 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.908 -1.625 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.277 -2.275 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.940 0.414 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.301 0.436 3.968 1.00 0.00 H new ATOM 261 N ASP A 57 -10.841 -3.901 6.431 1.00 0.00 N ATOM 262 CA ASP A 57 -10.896 -5.332 6.642 1.00 0.00 C ATOM 263 C ASP A 57 -9.958 -5.757 7.758 1.00 0.00 C ATOM 264 O ASP A 57 -8.786 -5.387 7.762 1.00 0.00 O ATOM 265 CB ASP A 57 -10.549 -6.046 5.331 1.00 0.00 C ATOM 266 CG ASP A 57 -9.581 -7.202 5.500 1.00 0.00 C ATOM 267 OD1 ASP A 57 -10.030 -8.333 5.798 1.00 0.00 O ATOM 268 OD2 ASP A 57 -8.362 -6.991 5.319 1.00 0.00 O ATOM 0 H ASP A 57 -9.915 -3.490 6.547 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.905 -5.610 6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.467 -6.417 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.119 -5.323 4.637 1.00 0.00 H new ATOM 415 N GLU B 7 3.368 -9.181 -11.461 1.00 0.00 N ATOM 416 CA GLU B 7 2.804 -8.280 -12.451 1.00 0.00 C ATOM 417 C GLU B 7 2.518 -6.932 -11.802 1.00 0.00 C ATOM 418 O GLU B 7 1.999 -6.872 -10.686 1.00 0.00 O ATOM 419 CB GLU B 7 1.523 -8.873 -13.044 1.00 0.00 C ATOM 420 CG GLU B 7 0.884 -8.007 -14.118 1.00 0.00 C ATOM 421 CD GLU B 7 -0.267 -8.703 -14.814 1.00 0.00 C ATOM 422 OE1 GLU B 7 -1.339 -8.846 -14.189 1.00 0.00 O ATOM 423 OE2 GLU B 7 -0.093 -9.112 -15.982 1.00 0.00 O ATOM 0 HA GLU B 7 3.520 -8.142 -13.261 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.749 -9.852 -13.467 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.802 -9.031 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.526 -7.081 -13.668 1.00 0.00 H new ATOM 0 HG3 GLU B 7 1.638 -7.733 -14.856 1.00 0.00 H new ATOM 430 N VAL B 8 2.869 -5.860 -12.491 1.00 0.00 N ATOM 431 CA VAL B 8 2.659 -4.525 -11.972 1.00 0.00 C ATOM 432 C VAL B 8 1.229 -4.089 -12.240 1.00 0.00 C ATOM 433 O VAL B 8 0.862 -3.753 -13.364 1.00 0.00 O ATOM 434 CB VAL B 8 3.648 -3.518 -12.588 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.566 -2.181 -11.868 1.00 0.00 C ATOM 436 CG2 VAL B 8 5.067 -4.072 -12.541 1.00 0.00 C ATOM 0 H VAL B 8 3.302 -5.891 -13.414 1.00 0.00 H new ATOM 0 HA VAL B 8 2.836 -4.547 -10.897 1.00 0.00 H new ATOM 0 HB VAL B 8 3.377 -3.358 -13.632 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.272 -1.482 -12.317 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.555 -1.782 -11.955 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.812 -2.319 -10.815 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.755 -3.349 -12.980 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.350 -4.260 -11.505 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.113 -5.004 -13.104 1.00 0.00 H new ATOM 446 N LEU B 9 0.437 -4.098 -11.185 1.00 0.00 N ATOM 447 CA LEU B 9 -0.963 -3.749 -11.255 1.00 0.00 C ATOM 448 C LEU B 9 -1.159 -2.257 -11.109 1.00 0.00 C ATOM 449 O LEU B 9 -1.972 -1.656 -11.808 1.00 0.00 O ATOM 450 CB LEU B 9 -1.723 -4.477 -10.148 1.00 0.00 C ATOM 451 CG LEU B 9 -2.111 -5.916 -10.464 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.588 -6.622 -9.206 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.193 -5.954 -11.532 1.00 0.00 C ATOM 0 H LEU B 9 0.753 -4.350 -10.249 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.346 -4.050 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.111 -4.473 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.629 -3.915 -9.921 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.231 -6.435 -10.844 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.862 -7.649 -9.447 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.789 -6.624 -8.465 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.456 -6.100 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.458 -6.990 -11.745 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -4.074 -5.420 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.824 -5.480 -12.441 1.00 0.00 H new ATOM 465 N LEU B 10 -0.414 -1.655 -10.198 1.00 0.00 N ATOM 466 CA LEU B 10 -0.551 -0.235 -9.973 1.00 0.00 C ATOM 467 C LEU B 10 0.766 0.409 -9.592 1.00 0.00 C ATOM 468 O LEU B 10 1.514 -0.116 -8.767 1.00 0.00 O ATOM 469 CB LEU B 10 -1.533 0.021 -8.840 1.00 0.00 C ATOM 470 CG LEU B 10 -2.331 1.324 -8.955 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.315 1.251 -10.114 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.063 1.626 -7.659 1.00 0.00 C ATOM 0 H LEU B 10 0.279 -2.122 -9.613 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.906 0.199 -10.908 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.233 -0.813 -8.791 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.983 0.031 -7.899 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.628 2.134 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.872 2.186 -10.178 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.770 1.088 -11.044 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.009 0.426 -9.951 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.622 2.556 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.752 0.812 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.341 1.727 -6.849 1.00 0.00 H new ATOM 484 N ILE B 11 1.048 1.535 -10.212 1.00 0.00 N ATOM 485 CA ILE B 11 2.233 2.309 -9.890 1.00 0.00 C ATOM 486 C ILE B 11 1.800 3.616 -9.249 1.00 0.00 C ATOM 487 O ILE B 11 1.274 4.510 -9.913 1.00 0.00 O ATOM 488 CB ILE B 11 3.110 2.606 -11.126 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.616 1.296 -11.737 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.277 3.514 -10.741 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.643 1.481 -12.833 1.00 0.00 C ATOM 0 H ILE B 11 0.469 1.939 -10.948 1.00 0.00 H new ATOM 0 HA ILE B 11 2.841 1.717 -9.206 1.00 0.00 H new ATOM 0 HB ILE B 11 2.508 3.124 -11.873 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.050 0.683 -10.947 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.767 0.743 -12.139 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.887 3.715 -11.621 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.892 4.453 -10.344 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.886 3.022 -9.982 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.950 0.506 -13.212 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.209 2.066 -13.644 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.512 2.004 -12.433 1.00 0.00 H new ATOM 503 N VAL B 12 2.013 3.707 -7.951 1.00 0.00 N ATOM 504 CA VAL B 12 1.656 4.886 -7.190 1.00 0.00 C ATOM 505 C VAL B 12 2.897 5.727 -6.953 1.00 0.00 C ATOM 506 O VAL B 12 3.979 5.189 -6.735 1.00 0.00 O ATOM 507 CB VAL B 12 1.024 4.496 -5.839 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.419 5.702 -5.150 1.00 0.00 C ATOM 509 CG2 VAL B 12 -0.021 3.408 -6.028 1.00 0.00 C ATOM 0 H VAL B 12 2.438 2.965 -7.395 1.00 0.00 H new ATOM 0 HA VAL B 12 0.924 5.460 -7.757 1.00 0.00 H new ATOM 0 HB VAL B 12 1.816 4.106 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.019 5.396 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.195 6.445 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.355 6.133 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.454 3.148 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.806 3.769 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.447 2.526 -6.465 1.00 0.00 H new ATOM 519 N LYS B 13 2.748 7.036 -6.996 1.00 0.00 N ATOM 520 CA LYS B 13 3.887 7.927 -6.808 1.00 0.00 C ATOM 521 C LYS B 13 3.744 8.764 -5.555 1.00 0.00 C ATOM 522 O LYS B 13 2.677 8.808 -4.944 1.00 0.00 O ATOM 523 CB LYS B 13 4.050 8.849 -8.008 1.00 0.00 C ATOM 524 CG LYS B 13 4.096 8.115 -9.327 1.00 0.00 C ATOM 525 CD LYS B 13 3.185 8.766 -10.352 1.00 0.00 C ATOM 526 CE LYS B 13 1.714 8.469 -10.076 1.00 0.00 C ATOM 527 NZ LYS B 13 1.128 9.371 -9.042 1.00 0.00 N ATOM 0 H LYS B 13 1.859 7.508 -7.158 1.00 0.00 H new ATOM 0 HA LYS B 13 4.771 7.297 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.224 9.560 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.966 9.427 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.119 8.102 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.797 7.077 -9.179 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.345 9.844 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.447 8.410 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.148 8.569 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.612 7.434 -9.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 1.035 8.855 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.750 10.193 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.190 9.694 -9.355 1.00 0.00 H new ATOM 541 N LYS B 14 4.837 9.438 -5.197 1.00 0.00 N ATOM 542 CA LYS B 14 4.879 10.295 -4.025 1.00 0.00 C ATOM 543 C LYS B 14 4.413 9.570 -2.777 1.00 0.00 C ATOM 544 O LYS B 14 3.778 10.152 -1.897 1.00 0.00 O ATOM 545 CB LYS B 14 4.041 11.528 -4.278 1.00 0.00 C ATOM 546 CG LYS B 14 4.820 12.683 -4.865 1.00 0.00 C ATOM 547 CD LYS B 14 5.801 13.235 -3.851 1.00 0.00 C ATOM 548 CE LYS B 14 6.040 14.714 -4.061 1.00 0.00 C ATOM 549 NZ LYS B 14 4.803 15.517 -3.844 1.00 0.00 N ATOM 0 H LYS B 14 5.715 9.401 -5.715 1.00 0.00 H new ATOM 0 HA LYS B 14 5.914 10.589 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.226 11.270 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.587 11.847 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.356 12.352 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.134 13.469 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.419 13.066 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.746 12.698 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.818 15.056 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.408 14.881 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.050 16.525 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.150 15.371 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.344 15.216 -2.961 1.00 0.00 H new ATOM 563 N VAL B 15 4.746 8.304 -2.704 1.00 0.00 N ATOM 564 CA VAL B 15 4.374 7.495 -1.560 1.00 0.00 C ATOM 565 C VAL B 15 5.512 7.499 -0.565 1.00 0.00 C ATOM 566 O VAL B 15 6.594 7.005 -0.854 1.00 0.00 O ATOM 567 CB VAL B 15 4.013 6.049 -1.955 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.519 5.275 -0.741 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.960 6.060 -3.043 1.00 0.00 C ATOM 0 H VAL B 15 5.274 7.808 -3.422 1.00 0.00 H new ATOM 0 HA VAL B 15 3.480 7.930 -1.114 1.00 0.00 H new ATOM 0 HB VAL B 15 4.906 5.553 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.268 4.256 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.301 5.251 0.018 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.633 5.763 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.710 5.035 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.066 6.567 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.345 6.586 -3.917 1.00 0.00 H new ATOM 579 N ARG B 16 5.268 8.081 0.591 1.00 0.00 N ATOM 580 CA ARG B 16 6.276 8.179 1.615 1.00 0.00 C ATOM 581 C ARG B 16 6.114 7.097 2.656 1.00 0.00 C ATOM 582 O ARG B 16 5.002 6.678 2.981 1.00 0.00 O ATOM 583 CB ARG B 16 6.218 9.541 2.310 1.00 0.00 C ATOM 584 CG ARG B 16 6.012 10.710 1.368 1.00 0.00 C ATOM 585 CD ARG B 16 6.208 12.038 2.082 1.00 0.00 C ATOM 586 NE ARG B 16 7.618 12.286 2.376 1.00 0.00 N ATOM 587 CZ ARG B 16 8.465 12.836 1.508 1.00 0.00 C ATOM 588 NH1 ARG B 16 8.011 13.315 0.357 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.759 12.931 1.794 1.00 0.00 N ATOM 0 H ARG B 16 4.370 8.495 0.842 1.00 0.00 H new ATOM 0 HA ARG B 16 7.240 8.059 1.121 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.409 9.530 3.040 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.144 9.694 2.864 1.00 0.00 H new ATOM 0 HG2 ARG B 16 6.711 10.636 0.535 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.008 10.667 0.946 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.817 12.846 1.464 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.636 12.041 3.010 1.00 0.00 H new ATOM 0 HE ARG B 16 7.972 12.024 3.296 1.00 0.00 H new ATOM 0 HH11 ARG B 16 7.016 13.261 0.139 1.00 0.00 H new ATOM 0 HH12 ARG B 16 8.657 13.737 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.111 12.581 2.685 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.400 13.354 1.123 1.00 0.00 H new ATOM 603 N GLN B 17 7.238 6.630 3.139 1.00 0.00 N ATOM 604 CA GLN B 17 7.272 5.650 4.193 1.00 0.00 C ATOM 605 C GLN B 17 8.300 6.139 5.194 1.00 0.00 C ATOM 606 O GLN B 17 9.499 6.016 4.966 1.00 0.00 O ATOM 607 CB GLN B 17 7.646 4.275 3.628 1.00 0.00 C ATOM 608 CG GLN B 17 6.997 3.110 4.361 1.00 0.00 C ATOM 609 CD GLN B 17 7.619 2.842 5.718 1.00 0.00 C ATOM 610 OE1 GLN B 17 8.916 3.078 5.836 1.00 0.00 O flip ATOM 611 NE2 GLN B 17 6.942 2.422 6.650 1.00 0.00 N flip ATOM 0 H GLN B 17 8.159 6.921 2.810 1.00 0.00 H new ATOM 0 HA GLN B 17 6.299 5.535 4.670 1.00 0.00 H new ATOM 0 HB2 GLN B 17 7.360 4.235 2.577 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.729 4.159 3.668 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.934 3.315 4.489 1.00 0.00 H new ATOM 0 HG3 GLN B 17 7.077 2.213 3.748 1.00 0.00 H new ATOM 0 HE21 GLN B 17 5.945 2.252 6.520 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.376 2.242 7.555 1.00 0.00 H new ATOM 620 N LYS B 18 7.822 6.691 6.299 1.00 0.00 N ATOM 621 CA LYS B 18 8.687 7.260 7.324 1.00 0.00 C ATOM 622 C LYS B 18 9.411 8.491 6.757 1.00 0.00 C ATOM 623 O LYS B 18 10.640 8.582 6.765 1.00 0.00 O ATOM 624 CB LYS B 18 9.684 6.227 7.869 1.00 0.00 C ATOM 625 CG LYS B 18 10.328 6.632 9.191 1.00 0.00 C ATOM 626 CD LYS B 18 9.434 6.327 10.390 1.00 0.00 C ATOM 627 CE LYS B 18 8.456 7.459 10.695 1.00 0.00 C ATOM 628 NZ LYS B 18 9.061 8.801 10.494 1.00 0.00 N ATOM 0 H LYS B 18 6.827 6.758 6.511 1.00 0.00 H new ATOM 0 HA LYS B 18 8.068 7.568 8.167 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.170 5.275 8.002 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.467 6.066 7.128 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.277 6.108 9.306 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.553 7.698 9.171 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.875 5.411 10.199 1.00 0.00 H new ATOM 0 HD3 LYS B 18 10.057 6.144 11.266 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.579 7.360 10.056 1.00 0.00 H new ATOM 0 HE3 LYS B 18 8.111 7.370 11.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 8.521 9.509 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 10.046 8.791 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 9.040 9.043 9.483 1.00 0.00 H new ATOM 642 N LYS B 19 8.603 9.413 6.238 1.00 0.00 N ATOM 643 CA LYS B 19 9.050 10.687 5.669 1.00 0.00 C ATOM 644 C LYS B 19 9.969 10.567 4.449 1.00 0.00 C ATOM 645 O LYS B 19 10.602 11.551 4.065 1.00 0.00 O ATOM 646 CB LYS B 19 9.704 11.557 6.744 1.00 0.00 C ATOM 647 CG LYS B 19 8.738 12.569 7.339 1.00 0.00 C ATOM 648 CD LYS B 19 9.211 13.078 8.686 1.00 0.00 C ATOM 649 CE LYS B 19 8.038 13.529 9.544 1.00 0.00 C ATOM 650 NZ LYS B 19 7.107 12.408 9.842 1.00 0.00 N ATOM 0 H LYS B 19 7.591 9.293 6.200 1.00 0.00 H new ATOM 0 HA LYS B 19 8.142 11.163 5.299 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.091 10.918 7.538 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.556 12.082 6.313 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.624 13.409 6.653 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.755 12.111 7.449 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.762 12.292 9.202 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.901 13.909 8.542 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.411 13.949 10.478 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.497 14.324 9.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.628 12.586 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.398 12.335 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.643 11.519 9.902 1.00 0.00 H new ATOM 664 N GLN B 20 10.021 9.409 3.808 1.00 0.00 N ATOM 665 CA GLN B 20 10.855 9.264 2.621 1.00 0.00 C ATOM 666 C GLN B 20 9.961 8.981 1.426 1.00 0.00 C ATOM 667 O GLN B 20 9.137 8.068 1.461 1.00 0.00 O ATOM 668 CB GLN B 20 11.926 8.177 2.796 1.00 0.00 C ATOM 669 CG GLN B 20 11.377 6.772 2.936 1.00 0.00 C ATOM 670 CD GLN B 20 12.450 5.757 3.263 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.016 5.120 2.377 1.00 0.00 O ATOM 672 NE2 GLN B 20 12.740 5.604 4.544 1.00 0.00 N ATOM 0 H GLN B 20 9.508 8.571 4.081 1.00 0.00 H new ATOM 0 HA GLN B 20 11.398 10.195 2.455 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.599 8.207 1.939 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.522 8.410 3.678 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.619 6.759 3.719 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.882 6.485 2.008 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.246 6.153 5.248 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.458 4.937 4.828 1.00 0.00 H new ATOM 681 N ASP B 21 10.108 9.780 0.385 1.00 0.00 N ATOM 682 CA ASP B 21 9.281 9.646 -0.802 1.00 0.00 C ATOM 683 C ASP B 21 9.806 8.606 -1.773 1.00 0.00 C ATOM 684 O ASP B 21 11.007 8.474 -2.006 1.00 0.00 O ATOM 685 CB ASP B 21 9.085 10.993 -1.522 1.00 0.00 C ATOM 686 CG ASP B 21 10.236 11.976 -1.348 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.381 11.544 -1.114 1.00 0.00 O ATOM 688 OD2 ASP B 21 9.968 13.201 -1.394 1.00 0.00 O ATOM 0 H ASP B 21 10.795 10.532 0.337 1.00 0.00 H new ATOM 0 HA ASP B 21 8.311 9.300 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP B 21 8.943 10.804 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.169 11.457 -1.155 1.00 0.00 H new ATOM 693 N GLY B 22 8.868 7.844 -2.303 1.00 0.00 N ATOM 694 CA GLY B 22 9.170 6.822 -3.263 1.00 0.00 C ATOM 695 C GLY B 22 7.967 6.519 -4.122 1.00 0.00 C ATOM 696 O GLY B 22 7.245 7.427 -4.540 1.00 0.00 O ATOM 0 H GLY B 22 7.877 7.923 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.000 7.142 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.492 5.917 -2.748 1.00 0.00 H new ATOM 700 N ALA B 23 7.719 5.247 -4.344 1.00 0.00 N ATOM 701 CA ALA B 23 6.606 4.825 -5.165 1.00 0.00 C ATOM 702 C ALA B 23 6.034 3.521 -4.643 1.00 0.00 C ATOM 703 O ALA B 23 6.781 2.630 -4.235 1.00 0.00 O ATOM 704 CB ALA B 23 7.066 4.669 -6.596 1.00 0.00 C ATOM 0 H ALA B 23 8.277 4.482 -3.964 1.00 0.00 H new ATOM 0 HA ALA B 23 5.821 5.581 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.227 4.351 -7.215 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.446 5.623 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.857 3.921 -6.644 1.00 0.00 H new ATOM 710 N LEU B 24 4.718 3.405 -4.671 1.00 0.00 N ATOM 711 CA LEU B 24 4.052 2.212 -4.182 1.00 0.00 C ATOM 712 C LEU B 24 3.657 1.357 -5.379 1.00 0.00 C ATOM 713 O LEU B 24 2.858 1.772 -6.215 1.00 0.00 O ATOM 714 CB LEU B 24 2.812 2.602 -3.366 1.00 0.00 C ATOM 715 CG LEU B 24 2.431 1.670 -2.209 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.034 2.000 -1.710 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.518 0.211 -2.613 1.00 0.00 C ATOM 0 H LEU B 24 4.089 4.124 -5.028 1.00 0.00 H new ATOM 0 HA LEU B 24 4.720 1.646 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.971 3.601 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.963 2.666 -4.046 1.00 0.00 H new ATOM 0 HG LEU B 24 3.146 1.830 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.774 1.332 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.007 3.032 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.318 1.872 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.241 -0.418 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.838 0.022 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.538 -0.022 -2.919 1.00 0.00 H new ATOM 729 N TYR B 25 4.230 0.175 -5.465 1.00 0.00 N ATOM 730 CA TYR B 25 3.954 -0.724 -6.577 1.00 0.00 C ATOM 731 C TYR B 25 3.053 -1.882 -6.159 1.00 0.00 C ATOM 732 O TYR B 25 3.391 -2.657 -5.264 1.00 0.00 O ATOM 733 CB TYR B 25 5.259 -1.280 -7.154 1.00 0.00 C ATOM 734 CG TYR B 25 6.224 -0.222 -7.638 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.119 0.307 -8.918 1.00 0.00 C ATOM 736 CD2 TYR B 25 7.249 0.240 -6.820 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.005 1.265 -9.369 1.00 0.00 C ATOM 738 CE2 TYR B 25 8.140 1.197 -7.265 1.00 0.00 C ATOM 739 CZ TYR B 25 8.013 1.706 -8.540 1.00 0.00 C ATOM 740 OH TYR B 25 8.901 2.658 -8.988 1.00 0.00 O ATOM 0 H TYR B 25 4.891 -0.190 -4.780 1.00 0.00 H new ATOM 0 HA TYR B 25 3.434 -0.142 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.752 -1.884 -6.392 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.022 -1.946 -7.984 1.00 0.00 H new ATOM 0 HD1 TYR B 25 5.331 -0.037 -9.572 1.00 0.00 H new ATOM 0 HD2 TYR B 25 7.350 -0.156 -5.820 1.00 0.00 H new ATOM 0 HE1 TYR B 25 6.908 1.667 -10.367 1.00 0.00 H new ATOM 0 HE2 TYR B 25 8.932 1.545 -6.618 1.00 0.00 H new ATOM 0 HH TYR B 25 9.549 2.860 -8.281 1.00 0.00 H new ATOM 750 N LEU B 26 1.903 -1.986 -6.810 1.00 0.00 N ATOM 751 CA LEU B 26 0.967 -3.068 -6.535 1.00 0.00 C ATOM 752 C LEU B 26 1.257 -4.220 -7.476 1.00 0.00 C ATOM 753 O LEU B 26 1.343 -4.019 -8.688 1.00 0.00 O ATOM 754 CB LEU B 26 -0.485 -2.623 -6.729 1.00 0.00 C ATOM 755 CG LEU B 26 -0.955 -1.478 -5.836 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.469 -1.388 -5.843 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.454 -1.660 -4.427 1.00 0.00 C ATOM 0 H LEU B 26 1.595 -1.335 -7.532 1.00 0.00 H new ATOM 0 HA LEU B 26 1.094 -3.371 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.618 -2.325 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.134 -3.482 -6.558 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.545 -0.549 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.788 -0.567 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.818 -1.210 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.891 -2.322 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.801 -0.833 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.834 -2.599 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.636 -1.680 -4.428 1.00 0.00 H new ATOM 769 N MET B 27 1.415 -5.413 -6.932 1.00 0.00 N ATOM 770 CA MET B 27 1.693 -6.583 -7.748 1.00 0.00 C ATOM 771 C MET B 27 0.556 -7.586 -7.643 1.00 0.00 C ATOM 772 O MET B 27 -0.232 -7.545 -6.700 1.00 0.00 O ATOM 773 CB MET B 27 3.017 -7.235 -7.345 1.00 0.00 C ATOM 774 CG MET B 27 4.219 -6.314 -7.491 1.00 0.00 C ATOM 775 SD MET B 27 5.664 -6.902 -6.586 1.00 0.00 S ATOM 776 CE MET B 27 6.905 -5.739 -7.143 1.00 0.00 C ATOM 0 H MET B 27 1.356 -5.598 -5.931 1.00 0.00 H new ATOM 0 HA MET B 27 1.779 -6.257 -8.785 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.948 -7.567 -6.309 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.175 -8.124 -7.955 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.472 -6.218 -8.547 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.954 -5.318 -7.135 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.808 -5.855 -6.544 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.138 -5.929 -8.191 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.526 -4.723 -7.034 1.00 0.00 H new ATOM 786 N ALA B 28 0.508 -8.486 -8.611 1.00 0.00 N ATOM 787 CA ALA B 28 -0.533 -9.510 -8.714 1.00 0.00 C ATOM 788 C ALA B 28 -0.854 -10.208 -7.393 1.00 0.00 C ATOM 789 O ALA B 28 -2.016 -10.284 -6.993 1.00 0.00 O ATOM 790 CB ALA B 28 -0.128 -10.543 -9.748 1.00 0.00 C ATOM 0 H ALA B 28 1.198 -8.531 -9.361 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.443 -8.991 -9.014 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.904 -11.305 -9.824 1.00 0.00 H new ATOM 0 HB2 ALA B 28 0.001 -10.058 -10.716 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.811 -11.009 -9.448 1.00 0.00 H new ATOM 796 N GLU B 29 0.165 -10.716 -6.722 1.00 0.00 N ATOM 797 CA GLU B 29 -0.042 -11.437 -5.475 1.00 0.00 C ATOM 798 C GLU B 29 0.646 -10.769 -4.289 1.00 0.00 C ATOM 799 O GLU B 29 0.678 -11.334 -3.191 1.00 0.00 O ATOM 800 CB GLU B 29 0.457 -12.883 -5.613 1.00 0.00 C ATOM 801 CG GLU B 29 1.421 -13.107 -6.775 1.00 0.00 C ATOM 802 CD GLU B 29 2.730 -12.357 -6.618 1.00 0.00 C ATOM 803 OE1 GLU B 29 2.788 -11.168 -7.001 1.00 0.00 O ATOM 804 OE2 GLU B 29 3.703 -12.952 -6.113 1.00 0.00 O ATOM 0 H GLU B 29 1.139 -10.644 -7.016 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.114 -11.428 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.950 -13.175 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.403 -13.541 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.629 -14.173 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.940 -12.796 -7.703 1.00 0.00 H new ATOM 811 N ARG B 30 1.158 -9.558 -4.474 1.00 0.00 N ATOM 812 CA ARG B 30 1.847 -8.889 -3.375 1.00 0.00 C ATOM 813 C ARG B 30 1.945 -7.386 -3.577 1.00 0.00 C ATOM 814 O ARG B 30 1.596 -6.858 -4.625 1.00 0.00 O ATOM 815 CB ARG B 30 3.252 -9.476 -3.194 1.00 0.00 C ATOM 816 CG ARG B 30 4.242 -9.052 -4.265 1.00 0.00 C ATOM 817 CD ARG B 30 5.505 -9.895 -4.224 1.00 0.00 C ATOM 818 NE ARG B 30 5.447 -11.001 -5.172 1.00 0.00 N ATOM 819 CZ ARG B 30 6.407 -11.288 -6.044 1.00 0.00 C ATOM 820 NH1 ARG B 30 7.532 -10.583 -6.059 1.00 0.00 N ATOM 821 NH2 ARG B 30 6.237 -12.287 -6.897 1.00 0.00 N ATOM 0 H ARG B 30 1.113 -9.031 -5.346 1.00 0.00 H new ATOM 0 HA ARG B 30 1.253 -9.062 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.637 -9.176 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.182 -10.564 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.777 -9.140 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.500 -8.002 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.368 -9.268 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.649 -10.286 -3.217 1.00 0.00 H new ATOM 0 HE ARG B 30 4.616 -11.592 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.662 -9.817 -5.399 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.266 -10.808 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.374 -12.830 -6.881 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.970 -12.514 -7.570 1.00 0.00 H new ATOM 835 N ILE B 31 2.414 -6.708 -2.547 1.00 0.00 N ATOM 836 CA ILE B 31 2.595 -5.271 -2.577 1.00 0.00 C ATOM 837 C ILE B 31 4.068 -4.955 -2.326 1.00 0.00 C ATOM 838 O ILE B 31 4.739 -5.677 -1.585 1.00 0.00 O ATOM 839 CB ILE B 31 1.693 -4.576 -1.526 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.716 -3.059 -1.701 1.00 0.00 C ATOM 841 CG2 ILE B 31 2.108 -4.955 -0.111 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.648 -2.346 -0.899 1.00 0.00 C ATOM 0 H ILE B 31 2.681 -7.141 -1.663 1.00 0.00 H new ATOM 0 HA ILE B 31 2.303 -4.890 -3.555 1.00 0.00 H new ATOM 0 HB ILE B 31 0.672 -4.923 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.695 -2.681 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.587 -2.820 -2.757 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.458 -4.453 0.606 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.023 -6.034 0.016 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.140 -4.650 0.060 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.721 -1.272 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.336 -2.697 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.789 -2.555 0.161 1.00 0.00 H new ATOM 854 N ALA B 32 4.585 -3.916 -2.964 1.00 0.00 N ATOM 855 CA ALA B 32 5.983 -3.553 -2.792 1.00 0.00 C ATOM 856 C ALA B 32 6.181 -2.045 -2.829 1.00 0.00 C ATOM 857 O ALA B 32 5.343 -1.312 -3.352 1.00 0.00 O ATOM 858 CB ALA B 32 6.831 -4.224 -3.859 1.00 0.00 C ATOM 0 H ALA B 32 4.063 -3.314 -3.600 1.00 0.00 H new ATOM 0 HA ALA B 32 6.300 -3.902 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.876 -3.946 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.730 -5.306 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.497 -3.902 -4.845 1.00 0.00 H new ATOM 864 N TRP B 33 7.294 -1.589 -2.274 1.00 0.00 N ATOM 865 CA TRP B 33 7.600 -0.172 -2.240 1.00 0.00 C ATOM 866 C TRP B 33 9.104 0.061 -2.408 1.00 0.00 C ATOM 867 O TRP B 33 9.921 -0.736 -1.943 1.00 0.00 O ATOM 868 CB TRP B 33 7.107 0.443 -0.924 1.00 0.00 C ATOM 869 CG TRP B 33 7.211 1.932 -0.904 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.265 2.828 -1.304 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.334 2.698 -0.473 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.745 4.104 -1.168 1.00 0.00 N ATOM 873 CE2 TRP B 33 8.009 4.049 -0.659 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.586 2.372 0.045 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.888 5.071 -0.350 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.459 3.391 0.355 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.109 4.730 0.154 1.00 0.00 C ATOM 0 H TRP B 33 8.000 -2.184 -1.841 1.00 0.00 H new ATOM 0 HA TRP B 33 7.085 0.313 -3.069 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.069 0.154 -0.760 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.686 0.032 -0.097 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.283 2.570 -1.673 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.239 4.957 -1.408 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.866 1.341 0.200 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.617 6.105 -0.503 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.431 3.152 0.760 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.817 5.507 0.402 1.00 0.00 H new ATOM 888 N ALA B 34 9.450 1.149 -3.091 1.00 0.00 N ATOM 889 CA ALA B 34 10.835 1.525 -3.338 1.00 0.00 C ATOM 890 C ALA B 34 10.956 3.047 -3.341 1.00 0.00 C ATOM 891 O ALA B 34 10.122 3.728 -3.944 1.00 0.00 O ATOM 892 CB ALA B 34 11.348 0.939 -4.654 1.00 0.00 C ATOM 0 H ALA B 34 8.771 1.797 -3.490 1.00 0.00 H new ATOM 0 HA ALA B 34 11.453 1.115 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.385 1.240 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.287 -0.149 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.738 1.308 -5.479 1.00 0.00 H new ATOM 898 N PRO B 35 11.967 3.603 -2.650 1.00 0.00 N ATOM 899 CA PRO B 35 12.177 5.058 -2.582 1.00 0.00 C ATOM 900 C PRO B 35 12.444 5.659 -3.957 1.00 0.00 C ATOM 901 O PRO B 35 12.749 4.928 -4.903 1.00 0.00 O ATOM 902 CB PRO B 35 13.400 5.213 -1.674 1.00 0.00 C ATOM 903 CG PRO B 35 14.086 3.892 -1.720 1.00 0.00 C ATOM 904 CD PRO B 35 13.002 2.866 -1.905 1.00 0.00 C ATOM 0 HA PRO B 35 11.297 5.580 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.055 6.010 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.106 5.469 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.803 3.854 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.643 3.710 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.358 1.999 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.627 2.499 -0.950 1.00 0.00 H new ATOM 992 N PHE B 41 13.239 -3.027 -4.241 1.00 0.00 N ATOM 993 CA PHE B 41 12.102 -2.831 -3.356 1.00 0.00 C ATOM 994 C PHE B 41 12.527 -3.044 -1.911 1.00 0.00 C ATOM 995 O PHE B 41 13.014 -4.113 -1.549 1.00 0.00 O ATOM 996 CB PHE B 41 10.966 -3.787 -3.723 1.00 0.00 C ATOM 997 CG PHE B 41 10.544 -3.687 -5.162 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.789 -2.612 -5.600 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.909 -4.663 -6.077 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.404 -2.512 -6.924 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.528 -4.568 -7.402 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.775 -3.490 -7.826 1.00 0.00 C ATOM 0 HA PHE B 41 11.740 -1.809 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.280 -4.810 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.107 -3.581 -3.085 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.498 -1.843 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.498 -5.507 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.813 -1.670 -7.253 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.818 -5.335 -8.105 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.477 -3.412 -8.861 1.00 0.00 H new ATOM 1012 N THR B 42 12.350 -2.018 -1.099 1.00 0.00 N ATOM 1013 CA THR B 42 12.719 -2.075 0.304 1.00 0.00 C ATOM 1014 C THR B 42 11.615 -2.718 1.128 1.00 0.00 C ATOM 1015 O THR B 42 11.843 -3.203 2.235 1.00 0.00 O ATOM 1016 CB THR B 42 12.993 -0.662 0.840 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.115 0.275 0.199 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.433 -0.260 0.587 1.00 0.00 C ATOM 0 H THR B 42 11.949 -1.127 -1.391 1.00 0.00 H new ATOM 0 HA THR B 42 13.622 -2.679 0.389 1.00 0.00 H new ATOM 0 HB THR B 42 12.815 -0.660 1.915 1.00 0.00 H new ATOM 0 HG1 THR B 42 11.994 1.058 0.776 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.604 0.744 0.975 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.100 -0.961 1.089 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.632 -0.274 -0.485 1.00 0.00 H new ATOM 1026 N ILE B 43 10.417 -2.716 0.572 1.00 0.00 N ATOM 1027 CA ILE B 43 9.261 -3.278 1.240 1.00 0.00 C ATOM 1028 C ILE B 43 8.483 -4.181 0.287 1.00 0.00 C ATOM 1029 O ILE B 43 8.195 -3.796 -0.844 1.00 0.00 O ATOM 1030 CB ILE B 43 8.350 -2.146 1.773 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.920 -1.577 3.074 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.918 -2.630 1.982 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.240 -0.305 3.531 1.00 0.00 C ATOM 0 H ILE B 43 10.220 -2.327 -0.350 1.00 0.00 H new ATOM 0 HA ILE B 43 9.603 -3.878 2.083 1.00 0.00 H new ATOM 0 HB ILE B 43 8.323 -1.356 1.023 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.831 -2.328 3.859 1.00 0.00 H new ATOM 0 HG13 ILE B 43 9.984 -1.382 2.939 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.307 -1.809 2.357 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.511 -2.982 1.034 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.912 -3.446 2.705 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.697 0.039 4.459 1.00 0.00 H new ATOM 0 HD12 ILE B 43 8.352 0.463 2.765 1.00 0.00 H new ATOM 0 HD13 ILE B 43 7.181 -0.499 3.699 1.00 0.00 H new ATOM 1045 N SER B 44 8.189 -5.390 0.737 1.00 0.00 N ATOM 1046 CA SER B 44 7.435 -6.348 -0.046 1.00 0.00 C ATOM 1047 C SER B 44 6.598 -7.202 0.899 1.00 0.00 C ATOM 1048 O SER B 44 7.125 -7.749 1.869 1.00 0.00 O ATOM 1049 CB SER B 44 8.386 -7.223 -0.862 1.00 0.00 C ATOM 1050 OG SER B 44 7.708 -7.871 -1.927 1.00 0.00 O ATOM 0 H SER B 44 8.468 -5.732 1.656 1.00 0.00 H new ATOM 0 HA SER B 44 6.777 -5.825 -0.740 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.194 -6.610 -1.262 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.844 -7.969 -0.213 1.00 0.00 H new ATOM 0 HG SER B 44 8.342 -8.422 -2.432 1.00 0.00 H new ATOM 1056 N HIS B 45 5.302 -7.313 0.629 1.00 0.00 N ATOM 1057 CA HIS B 45 4.407 -8.080 1.473 1.00 0.00 C ATOM 1058 C HIS B 45 3.404 -8.783 0.597 1.00 0.00 C ATOM 1059 O HIS B 45 2.743 -8.154 -0.231 1.00 0.00 O ATOM 1060 CB HIS B 45 3.669 -7.181 2.482 1.00 0.00 C ATOM 1061 CG HIS B 45 4.566 -6.351 3.354 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.452 -6.877 4.268 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.706 -5.002 3.432 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.090 -5.858 4.859 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.674 -4.699 4.385 1.00 0.00 N ATOM 0 H HIS B 45 4.850 -6.877 -0.174 1.00 0.00 H new ATOM 0 HA HIS B 45 4.996 -8.801 2.040 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.000 -6.517 1.935 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.045 -7.808 3.118 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.154 -4.280 2.848 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.845 -5.970 5.623 1.00 0.00 H new ATOM 0 HE2 HIS B 45 5.996 -3.771 4.661 1.00 0.00 H new ATOM 1073 N MET B 46 3.307 -10.080 0.753 1.00 0.00 N ATOM 1074 CA MET B 46 2.377 -10.856 -0.023 1.00 0.00 C ATOM 1075 C MET B 46 0.983 -10.627 0.523 1.00 0.00 C ATOM 1076 O MET B 46 0.810 -10.441 1.727 1.00 0.00 O ATOM 1077 CB MET B 46 2.738 -12.335 0.055 1.00 0.00 C ATOM 1078 CG MET B 46 4.023 -12.703 -0.670 1.00 0.00 C ATOM 1079 SD MET B 46 3.843 -12.719 -2.464 1.00 0.00 S ATOM 1080 CE MET B 46 2.728 -14.103 -2.689 1.00 0.00 C ATOM 0 H MET B 46 3.864 -10.621 1.414 1.00 0.00 H new ATOM 0 HA MET B 46 2.418 -10.549 -1.068 1.00 0.00 H new ATOM 0 HB2 MET B 46 2.831 -12.620 1.103 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.918 -12.920 -0.363 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.804 -11.994 -0.395 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.353 -13.686 -0.335 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.823 -14.485 -3.705 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.979 -14.892 -1.980 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.702 -13.775 -2.519 1.00 0.00 H new ATOM 1090 N TYR B 47 -0.007 -10.606 -0.353 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.396 -10.408 0.068 1.00 0.00 C ATOM 1092 C TYR B 47 -1.849 -11.485 1.060 1.00 0.00 C ATOM 1093 O TYR B 47 -2.915 -11.373 1.660 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.330 -10.392 -1.144 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.093 -9.237 -2.088 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.674 -7.997 -1.621 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.281 -9.391 -3.453 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.453 -6.947 -2.488 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -2.060 -8.346 -4.324 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.647 -7.126 -3.838 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.423 -6.084 -4.707 1.00 0.00 O ATOM 0 H TYR B 47 0.118 -10.723 -1.359 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.445 -9.443 0.572 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.212 -11.326 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.362 -10.356 -0.794 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.519 -7.853 -0.562 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.606 -10.345 -3.840 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.129 -5.989 -2.109 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.210 -8.484 -5.385 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.969 -6.418 -5.509 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.040 -12.525 1.224 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.355 -13.601 2.148 1.00 0.00 C ATOM 1113 C ALA B 48 -0.809 -13.310 3.543 1.00 0.00 C ATOM 1114 O ALA B 48 -1.283 -13.873 4.529 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.810 -14.922 1.638 1.00 0.00 C ATOM 0 H ALA B 48 -0.158 -12.643 0.726 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.441 -13.672 2.215 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.057 -15.714 2.345 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.254 -15.149 0.669 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.273 -14.853 1.534 1.00 0.00 H new ATOM 1121 N ASP B 49 0.185 -12.428 3.619 1.00 0.00 N ATOM 1122 CA ASP B 49 0.797 -12.075 4.898 1.00 0.00 C ATOM 1123 C ASP B 49 0.087 -10.876 5.499 1.00 0.00 C ATOM 1124 O ASP B 49 0.397 -10.444 6.613 1.00 0.00 O ATOM 1125 CB ASP B 49 2.292 -11.735 4.753 1.00 0.00 C ATOM 1126 CG ASP B 49 2.990 -12.462 3.618 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.787 -13.683 3.462 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.751 -11.797 2.877 1.00 0.00 O ATOM 0 H ASP B 49 0.583 -11.946 2.813 1.00 0.00 H new ATOM 0 HA ASP B 49 0.702 -12.946 5.547 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.395 -10.661 4.599 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.799 -11.973 5.688 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.859 -10.331 4.753 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.619 -9.181 5.202 1.00 0.00 C ATOM 1135 C ILE B 50 -2.907 -9.630 5.879 1.00 0.00 C ATOM 1136 O ILE B 50 -3.801 -10.196 5.248 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.943 -8.240 4.039 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.655 -7.805 3.334 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.722 -7.028 4.533 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.892 -7.037 2.054 1.00 0.00 C ATOM 0 H ILE B 50 -1.119 -10.671 3.827 1.00 0.00 H new ATOM 0 HA ILE B 50 -1.006 -8.637 5.920 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.565 -8.775 3.322 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.070 -7.187 4.015 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.057 -8.689 3.112 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.943 -6.370 3.692 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.654 -7.357 4.992 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.126 -6.488 5.269 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.066 -6.763 1.612 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -1.450 -7.659 1.354 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.463 -6.134 2.272 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.989 -9.351 7.163 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.124 -9.733 7.980 1.00 0.00 C ATOM 1154 C LYS B 51 -5.254 -8.707 7.891 1.00 0.00 C ATOM 1155 O LYS B 51 -6.422 -9.079 7.789 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.641 -9.903 9.426 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.741 -10.046 10.459 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.219 -9.749 11.859 1.00 0.00 C ATOM 1159 CE LYS B 51 -5.292 -9.994 12.908 1.00 0.00 C ATOM 1160 NZ LYS B 51 -4.722 -10.370 14.232 1.00 0.00 N ATOM 0 H LYS B 51 -2.264 -8.848 7.674 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.534 -10.674 7.613 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.999 -10.783 9.477 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.025 -9.043 9.690 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.559 -9.366 10.220 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.147 -11.057 10.425 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.352 -10.376 12.068 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.883 -8.713 11.913 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.898 -9.095 13.019 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.957 -10.786 12.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.494 -10.526 14.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -4.165 -11.243 14.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.108 -9.604 14.576 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.911 -7.421 7.905 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.928 -6.365 7.844 1.00 0.00 C ATOM 1176 C CYS B 52 -5.482 -5.191 6.977 1.00 0.00 C ATOM 1177 O CYS B 52 -4.289 -4.995 6.757 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.230 -5.831 9.251 1.00 0.00 C ATOM 1179 SG CYS B 52 -6.077 -7.041 10.585 1.00 0.00 S ATOM 0 H CYS B 52 -3.950 -7.084 7.957 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.818 -6.814 7.404 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.557 -4.999 9.458 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.244 -5.431 9.260 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.354 -6.472 11.721 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.443 -4.407 6.485 1.00 0.00 N ATOM 1186 CA GLN B 53 -6.137 -3.234 5.691 1.00 0.00 C ATOM 1187 C GLN B 53 -6.908 -2.042 6.231 1.00 0.00 C ATOM 1188 O GLN B 53 -8.128 -2.100 6.386 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.473 -3.450 4.211 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.902 -3.895 3.947 1.00 0.00 C ATOM 1191 CD GLN B 53 -8.296 -3.739 2.492 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -8.033 -4.611 1.669 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.939 -2.631 2.169 1.00 0.00 N ATOM 0 H GLN B 53 -7.440 -4.571 6.627 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.066 -3.045 5.762 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.289 -2.521 3.671 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.792 -4.197 3.802 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.015 -4.938 4.241 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.582 -3.313 4.569 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.138 -1.930 2.883 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.236 -2.476 1.206 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.199 -0.978 6.557 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.847 0.215 7.053 1.00 0.00 C ATOM 1204 C LYS B 54 -6.617 1.351 6.089 1.00 0.00 C ATOM 1205 O LYS B 54 -5.703 1.305 5.263 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.310 0.702 8.391 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.775 -0.314 9.371 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.517 0.414 10.683 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.828 -0.416 11.910 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.336 0.425 13.027 1.00 0.00 N ATOM 0 H LYS B 54 -5.183 -0.918 6.487 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.896 -0.058 7.167 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.512 1.416 8.187 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.110 1.251 8.888 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.491 -1.123 9.515 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.857 -0.764 8.994 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.472 0.721 10.718 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.118 1.323 10.708 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.570 -1.174 11.658 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.929 -0.943 12.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.681 -0.187 13.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.568 1.028 13.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -7.115 1.023 12.685 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.418 2.390 6.225 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.266 3.573 5.372 1.00 0.00 C ATOM 1226 C ILE B 55 -7.427 4.877 6.167 1.00 0.00 C ATOM 1227 O ILE B 55 -8.432 5.081 6.848 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.222 3.558 4.150 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.680 3.740 4.551 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.076 2.260 3.379 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.615 3.637 3.369 1.00 0.00 C ATOM 0 H ILE B 55 -8.175 2.448 6.907 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.247 3.533 4.987 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.938 4.401 3.520 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.948 2.986 5.291 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.805 4.712 5.027 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.753 2.266 2.525 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.049 2.159 3.027 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.320 1.421 4.030 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.643 3.773 3.705 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.366 4.408 2.640 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.512 2.655 2.908 1.00 0.00 H new ATOM 1243 N SER B 56 -6.389 5.722 6.138 1.00 0.00 N ATOM 1244 CA SER B 56 -6.424 7.008 6.835 1.00 0.00 C ATOM 1245 C SER B 56 -7.133 8.054 6.002 1.00 0.00 C ATOM 1246 O SER B 56 -6.663 8.400 4.903 1.00 0.00 O ATOM 1247 CB SER B 56 -5.024 7.501 7.150 1.00 0.00 C ATOM 1248 OG SER B 56 -4.561 6.984 8.382 1.00 0.00 O ATOM 0 H SER B 56 -5.518 5.537 5.640 1.00 0.00 H new ATOM 0 HA SER B 56 -6.968 6.852 7.767 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.344 7.206 6.351 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.020 8.590 7.186 1.00 0.00 H new ATOM 0 HG SER B 56 -4.416 6.018 8.298 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.222 8.606 6.575 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.094 9.604 5.933 1.00 0.00 C ATOM 1256 C PRO B 57 -8.451 10.971 5.734 1.00 0.00 C ATOM 1257 O PRO B 57 -7.358 11.247 6.237 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.231 9.768 6.937 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.618 9.431 8.247 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.668 8.313 7.953 1.00 0.00 C ATOM 0 HA PRO B 57 -9.373 9.265 4.935 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.622 10.785 6.931 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.064 9.104 6.706 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.098 10.289 8.672 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.374 9.126 8.970 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.832 8.299 8.653 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.156 7.341 8.021 1.00 0.00 H new ATOM 1268 N GLU B 58 -9.166 11.830 5.016 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.720 13.188 4.773 1.00 0.00 C ATOM 1270 C GLU B 58 -9.041 14.042 5.993 1.00 0.00 C ATOM 1271 O GLU B 58 -10.205 14.228 6.349 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.399 13.773 3.529 1.00 0.00 C ATOM 1273 CG GLU B 58 -8.741 13.371 2.218 1.00 0.00 C ATOM 1274 CD GLU B 58 -8.767 11.876 1.986 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -7.817 11.191 2.409 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -9.739 11.379 1.385 1.00 0.00 O ATOM 0 H GLU B 58 -10.065 11.602 4.590 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.644 13.182 4.597 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.441 13.455 3.513 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.399 14.860 3.605 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.248 13.871 1.393 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -7.707 13.717 2.214 1.00 0.00 H new ATOM 1283 N GLY B 59 -8.002 14.536 6.635 1.00 0.00 N ATOM 1284 CA GLY B 59 -8.168 15.354 7.818 1.00 0.00 C ATOM 1285 C GLY B 59 -6.829 15.834 8.311 1.00 0.00 C ATOM 1286 O GLY B 59 -6.678 16.975 8.744 1.00 0.00 O ATOM 0 H GLY B 59 -7.032 14.385 6.357 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.808 16.207 7.592 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.667 14.780 8.599 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.853 14.944 8.243 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.499 15.267 8.637 1.00 0.00 C ATOM 1292 C LYS B 60 -3.785 15.865 7.434 1.00 0.00 C ATOM 1293 O LYS B 60 -4.317 15.843 6.325 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.757 14.009 9.117 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.438 13.296 10.280 1.00 0.00 C ATOM 1296 CD LYS B 60 -3.634 13.404 11.571 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.507 12.377 11.631 1.00 0.00 C ATOM 1298 NZ LYS B 60 -1.938 12.256 13.001 1.00 0.00 N ATOM 0 H LYS B 60 -5.979 13.986 7.916 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.517 15.979 9.462 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.663 13.314 8.283 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.746 14.287 9.416 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.430 13.722 10.435 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.578 12.245 10.028 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.215 14.407 11.654 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.298 13.264 12.424 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.883 11.406 11.307 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.719 12.662 10.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.913 12.430 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.388 12.954 13.627 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.114 11.299 13.367 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.585 16.383 7.638 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.811 16.962 6.544 1.00 0.00 C ATOM 1314 C ALA B 61 -1.142 15.857 5.731 1.00 0.00 C ATOM 1315 O ALA B 61 -0.190 16.097 4.991 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.769 17.931 7.089 1.00 0.00 C ATOM 0 H ALA B 61 -2.124 16.416 8.547 1.00 0.00 H new ATOM 0 HA ALA B 61 -2.485 17.514 5.890 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -0.199 18.355 6.262 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -1.267 18.732 7.635 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -0.094 17.400 7.760 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.656 14.642 5.889 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.130 13.476 5.212 1.00 0.00 C ATOM 1324 C LYS B 62 -2.215 12.404 5.086 1.00 0.00 C ATOM 1325 O LYS B 62 -2.971 12.161 6.032 1.00 0.00 O ATOM 1326 CB LYS B 62 0.076 12.927 5.987 1.00 0.00 C ATOM 1327 CG LYS B 62 0.097 13.331 7.460 1.00 0.00 C ATOM 1328 CD LYS B 62 0.857 12.333 8.319 1.00 0.00 C ATOM 1329 CE LYS B 62 2.327 12.264 7.945 1.00 0.00 C ATOM 1330 NZ LYS B 62 3.043 11.228 8.730 1.00 0.00 N ATOM 0 H LYS B 62 -2.453 14.444 6.494 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.807 13.760 4.210 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.076 11.839 5.918 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.992 13.277 5.511 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.555 14.315 7.558 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.926 13.417 7.826 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.763 12.612 9.368 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.408 11.346 8.210 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.422 12.046 6.881 1.00 0.00 H new ATOM 0 HE3 LYS B 62 2.792 13.235 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 4.044 11.209 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.973 11.450 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 2.615 10.298 8.549 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.291 11.791 3.912 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.263 10.736 3.628 1.00 0.00 C ATOM 1346 C ILE B 63 -2.564 9.382 3.731 1.00 0.00 C ATOM 1347 O ILE B 63 -1.442 9.246 3.242 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.844 10.912 2.205 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.622 12.226 2.102 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.727 9.737 1.823 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.977 13.240 1.178 1.00 0.00 C ATOM 0 H ILE B 63 -1.680 12.010 3.125 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.080 10.792 4.348 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.010 10.946 1.504 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.631 12.015 1.749 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.717 12.662 3.097 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.121 9.889 0.818 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.141 8.818 1.848 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.554 9.659 2.529 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.582 14.146 1.153 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.978 13.480 1.542 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.906 12.823 0.173 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.188 8.365 4.345 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.474 7.085 4.469 1.00 0.00 C ATOM 1365 C GLN B 64 -3.323 5.848 4.182 1.00 0.00 C ATOM 1366 O GLN B 64 -4.551 5.885 4.171 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.837 6.922 5.859 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.769 7.943 6.206 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.310 9.132 6.971 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.790 10.229 6.862 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.345 8.921 7.769 1.00 0.00 N ATOM 0 H GLN B 64 -4.127 8.395 4.741 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.707 7.141 3.696 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.625 6.975 6.610 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.400 5.926 5.926 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.008 7.460 6.799 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.298 8.293 5.288 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.756 7.990 7.836 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.732 9.690 8.317 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.607 4.753 3.948 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.167 3.430 3.696 1.00 0.00 C ATOM 1382 C LEU B 65 -2.252 2.414 4.384 1.00 0.00 C ATOM 1383 O LEU B 65 -1.082 2.328 4.038 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.183 3.147 2.206 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.231 2.145 1.740 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.510 2.850 1.348 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.673 1.320 0.602 1.00 0.00 C ATOM 0 H LEU B 65 -1.587 4.763 3.928 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.187 3.370 4.074 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.343 4.087 1.677 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.199 2.780 1.913 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.477 1.472 2.561 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.244 2.115 1.018 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.903 3.395 2.206 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.306 3.548 0.536 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.424 0.603 0.270 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.406 1.976 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.786 0.785 0.941 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.749 1.642 5.339 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.873 0.719 6.058 1.00 0.00 C ATOM 1401 C GLN B 66 -2.360 -0.713 6.026 1.00 0.00 C ATOM 1402 O GLN B 66 -3.558 -0.983 5.932 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.675 1.158 7.511 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.728 0.636 8.465 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.153 0.227 9.804 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.662 -0.885 9.958 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.241 1.112 10.784 1.00 0.00 N ATOM 0 H GLN B 66 -3.726 1.632 5.631 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.919 0.753 5.532 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.695 0.822 7.850 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.671 2.247 7.553 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.485 1.404 8.619 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.229 -0.220 8.013 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.658 2.026 10.609 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.892 0.880 11.714 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.407 -1.623 6.099 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.693 -3.040 6.095 1.00 0.00 C ATOM 1418 C LEU B 67 -1.173 -3.695 7.367 1.00 0.00 C ATOM 1419 O LEU B 67 0.012 -3.607 7.684 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.049 -3.695 4.876 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.392 -3.035 3.544 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.385 -3.431 2.480 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.804 -3.407 3.116 1.00 0.00 C ATOM 0 H LEU B 67 -0.414 -1.398 6.163 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.774 -3.176 6.050 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.033 -3.684 5.004 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.355 -4.740 4.838 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.346 -1.953 3.670 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.645 -2.951 1.536 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.612 -3.113 2.786 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.397 -4.513 2.352 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -3.034 -2.928 2.164 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.877 -4.489 3.005 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.514 -3.071 3.872 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.076 -4.324 8.099 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.726 -5.032 9.319 1.00 0.00 C ATOM 1437 C VAL B 68 -1.375 -6.452 8.937 1.00 0.00 C ATOM 1438 O VAL B 68 -2.224 -7.187 8.451 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.887 -5.051 10.336 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.430 -5.640 11.662 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.457 -3.652 10.533 1.00 0.00 C ATOM 0 H VAL B 68 -3.068 -4.359 7.866 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.889 -4.521 9.796 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.679 -5.685 9.937 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.263 -5.644 12.365 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.082 -6.661 11.506 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.617 -5.037 12.067 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.274 -3.690 11.254 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.675 -2.990 10.905 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.830 -3.274 9.581 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.133 -6.837 9.128 1.00 0.00 N ATOM 1452 CA LEU B 69 0.296 -8.169 8.743 1.00 0.00 C ATOM 1453 C LEU B 69 0.089 -9.177 9.866 1.00 0.00 C ATOM 1454 O LEU B 69 -0.017 -8.806 11.035 1.00 0.00 O ATOM 1455 CB LEU B 69 1.759 -8.153 8.311 1.00 0.00 C ATOM 1456 CG LEU B 69 2.222 -6.863 7.631 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.721 -6.896 7.392 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.481 -6.643 6.321 1.00 0.00 C ATOM 0 H LEU B 69 0.594 -6.255 9.544 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.322 -8.481 7.901 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.382 -8.327 9.188 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.929 -8.986 7.629 1.00 0.00 H new ATOM 0 HG LEU B 69 1.993 -6.030 8.295 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.033 -5.971 6.908 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.239 -6.999 8.345 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.969 -7.742 6.751 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.828 -5.720 5.857 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.672 -7.480 5.650 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.411 -6.571 6.516 1.00 0.00 H new ATOM 1470 N HIS B 70 0.036 -10.456 9.493 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.153 -11.549 10.461 1.00 0.00 C ATOM 1472 C HIS B 70 0.998 -11.591 11.466 1.00 0.00 C ATOM 1473 O HIS B 70 0.870 -12.152 12.548 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.245 -12.915 9.757 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.355 -13.038 8.755 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.719 -12.201 7.757 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -2.204 -14.119 8.663 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.775 -12.755 7.049 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -3.027 -13.905 7.628 1.00 0.00 N flip ATOM 0 H HIS B 70 0.121 -10.766 8.525 1.00 0.00 H new ATOM 0 HA HIS B 70 -1.090 -11.352 10.982 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.702 -13.112 9.254 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.371 -13.689 10.514 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -2.206 -14.984 9.310 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.284 -12.328 6.198 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.756 -14.553 7.329 1.00 0.00 H new ATOM 1487 N ALA B 71 2.122 -10.990 11.097 1.00 0.00 N ATOM 1488 CA ALA B 71 3.297 -10.964 11.960 1.00 0.00 C ATOM 1489 C ALA B 71 3.184 -9.881 13.029 1.00 0.00 C ATOM 1490 O ALA B 71 4.083 -9.714 13.851 1.00 0.00 O ATOM 1491 CB ALA B 71 4.554 -10.757 11.127 1.00 0.00 C ATOM 0 H ALA B 71 2.245 -10.513 10.204 1.00 0.00 H new ATOM 0 HA ALA B 71 3.360 -11.926 12.469 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.425 -10.739 11.782 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.655 -11.573 10.411 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.483 -9.811 10.591 1.00 0.00 H new ATOM 1497 N GLY B 72 2.084 -9.137 13.006 1.00 0.00 N ATOM 1498 CA GLY B 72 1.879 -8.081 13.979 1.00 0.00 C ATOM 1499 C GLY B 72 2.391 -6.742 13.493 1.00 0.00 C ATOM 1500 O GLY B 72 2.050 -5.700 14.048 1.00 0.00 O ATOM 0 H GLY B 72 1.329 -9.247 12.329 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.816 -8.000 14.205 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.383 -8.344 14.909 1.00 0.00 H new ATOM 1504 N ASP B 73 3.213 -6.779 12.452 1.00 0.00 N ATOM 1505 CA ASP B 73 3.783 -5.568 11.874 1.00 0.00 C ATOM 1506 C ASP B 73 2.733 -4.819 11.061 1.00 0.00 C ATOM 1507 O ASP B 73 1.789 -5.426 10.543 1.00 0.00 O ATOM 1508 CB ASP B 73 4.984 -5.922 10.993 1.00 0.00 C ATOM 1509 CG ASP B 73 5.601 -4.705 10.334 1.00 0.00 C ATOM 1510 OD1 ASP B 73 5.953 -3.752 11.060 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.721 -4.699 9.092 1.00 0.00 O ATOM 0 H ASP B 73 3.501 -7.640 11.988 1.00 0.00 H new ATOM 0 HA ASP B 73 4.118 -4.920 12.683 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.738 -6.425 11.598 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.670 -6.628 10.224 1.00 0.00 H new ATOM 1516 N THR B 74 2.892 -3.508 10.952 1.00 0.00 N ATOM 1517 CA THR B 74 1.952 -2.685 10.213 1.00 0.00 C ATOM 1518 C THR B 74 2.687 -1.730 9.281 1.00 0.00 C ATOM 1519 O THR B 74 3.623 -1.043 9.694 1.00 0.00 O ATOM 1520 CB THR B 74 1.073 -1.860 11.176 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.907 -1.144 12.098 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.112 -2.751 11.950 1.00 0.00 C ATOM 0 H THR B 74 3.667 -2.992 11.368 1.00 0.00 H new ATOM 0 HA THR B 74 1.322 -3.354 9.627 1.00 0.00 H new ATOM 0 HB THR B 74 0.487 -1.159 10.581 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.727 -0.858 11.643 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.493 -2.139 12.619 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.539 -3.277 11.252 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.679 -3.476 12.534 1.00 0.00 H new ATOM 1530 N THR B 75 2.249 -1.669 8.035 1.00 0.00 N ATOM 1531 CA THR B 75 2.865 -0.792 7.055 1.00 0.00 C ATOM 1532 C THR B 75 1.904 0.328 6.659 1.00 0.00 C ATOM 1533 O THR B 75 1.005 0.115 5.846 1.00 0.00 O ATOM 1534 CB THR B 75 3.266 -1.586 5.799 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.469 -2.965 6.140 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.534 -1.018 5.177 1.00 0.00 C ATOM 0 H THR B 75 1.467 -2.218 7.678 1.00 0.00 H new ATOM 0 HA THR B 75 3.757 -0.357 7.506 1.00 0.00 H new ATOM 0 HB THR B 75 2.460 -1.505 5.070 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.131 -3.358 5.533 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.796 -1.597 4.291 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.367 0.021 4.895 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.349 -1.071 5.899 1.00 0.00 H new ATOM 1544 N ASN B 76 2.080 1.515 7.239 1.00 0.00 N ATOM 1545 CA ASN B 76 1.207 2.646 6.926 1.00 0.00 C ATOM 1546 C ASN B 76 1.827 3.467 5.799 1.00 0.00 C ATOM 1547 O ASN B 76 2.854 4.117 5.981 1.00 0.00 O ATOM 1548 CB ASN B 76 0.915 3.551 8.157 1.00 0.00 C ATOM 1549 CG ASN B 76 0.661 2.799 9.467 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.115 1.676 9.665 1.00 0.00 O ATOM 1551 ND2 ASN B 76 -0.059 3.435 10.388 1.00 0.00 N ATOM 0 H ASN B 76 2.811 1.718 7.921 1.00 0.00 H new ATOM 0 HA ASN B 76 0.246 2.238 6.612 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.758 4.226 8.301 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.045 4.170 7.936 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.246 2.990 11.286 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.424 4.368 10.196 1.00 0.00 H new ATOM 1558 N PHE B 77 1.196 3.415 4.634 1.00 0.00 N ATOM 1559 CA PHE B 77 1.675 4.123 3.452 1.00 0.00 C ATOM 1560 C PHE B 77 1.153 5.552 3.415 1.00 0.00 C ATOM 1561 O PHE B 77 -0.053 5.781 3.453 1.00 0.00 O ATOM 1562 CB PHE B 77 1.275 3.376 2.180 1.00 0.00 C ATOM 1563 CG PHE B 77 2.214 2.253 1.845 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.550 2.511 1.583 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.767 0.943 1.797 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.421 1.487 1.278 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.635 -0.088 1.491 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.964 0.184 1.232 1.00 0.00 C ATOM 0 H PHE B 77 0.340 2.883 4.480 1.00 0.00 H new ATOM 0 HA PHE B 77 2.763 4.164 3.506 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.267 2.978 2.300 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.243 4.078 1.347 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.914 3.527 1.618 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.729 0.725 2.001 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.460 1.703 1.075 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.274 -1.105 1.454 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.645 -0.620 0.994 1.00 0.00 H new ATOM 1578 N HIS B 78 2.076 6.496 3.331 1.00 0.00 N ATOM 1579 CA HIS B 78 1.751 7.916 3.312 1.00 0.00 C ATOM 1580 C HIS B 78 1.735 8.456 1.875 1.00 0.00 C ATOM 1581 O HIS B 78 2.774 8.562 1.229 1.00 0.00 O ATOM 1582 CB HIS B 78 2.791 8.641 4.192 1.00 0.00 C ATOM 1583 CG HIS B 78 2.787 10.145 4.155 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.715 10.913 4.827 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.977 11.023 3.508 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.449 12.198 4.571 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.405 12.320 3.774 1.00 0.00 N ATOM 0 H HIS B 78 3.075 6.300 3.274 1.00 0.00 H new ATOM 0 HA HIS B 78 0.751 8.089 3.710 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.639 8.327 5.225 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.783 8.297 3.897 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.135 10.757 2.886 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.015 13.029 4.966 1.00 0.00 H new ATOM 0 HE2 HIS B 78 1.996 13.187 3.425 1.00 0.00 H new ATOM 1595 N PHE B 79 0.549 8.792 1.380 1.00 0.00 N ATOM 1596 CA PHE B 79 0.412 9.336 0.030 1.00 0.00 C ATOM 1597 C PHE B 79 0.630 10.843 0.070 1.00 0.00 C ATOM 1598 O PHE B 79 -0.148 11.568 0.690 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.975 9.044 -0.568 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.268 7.592 -0.831 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.393 6.684 0.209 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.443 7.144 -2.128 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.691 5.359 -0.043 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.737 5.819 -2.385 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.863 4.927 -1.344 1.00 0.00 C ATOM 0 H PHE B 79 -0.330 8.699 1.890 1.00 0.00 H new ATOM 0 HA PHE B 79 1.160 8.855 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.734 9.434 0.110 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.072 9.593 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.256 7.016 1.227 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.349 7.839 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.789 4.662 0.776 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.868 5.483 -3.403 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.096 3.892 -1.544 1.00 0.00 H new ATOM 1615 N SER B 80 1.676 11.319 -0.587 1.00 0.00 N ATOM 1616 CA SER B 80 1.966 12.744 -0.586 1.00 0.00 C ATOM 1617 C SER B 80 1.942 13.331 -1.994 1.00 0.00 C ATOM 1618 O SER B 80 2.612 14.331 -2.268 1.00 0.00 O ATOM 1619 CB SER B 80 3.321 13.011 0.079 1.00 0.00 C ATOM 1620 OG SER B 80 4.383 12.397 -0.634 1.00 0.00 O ATOM 0 H SER B 80 2.331 10.748 -1.121 1.00 0.00 H new ATOM 0 HA SER B 80 1.182 13.238 -0.012 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.494 14.086 0.136 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.305 12.636 1.102 1.00 0.00 H new ATOM 0 HG SER B 80 4.124 11.486 -0.886 1.00 0.00 H new ATOM 1626 N ASN B 81 1.189 12.714 -2.900 1.00 0.00 N ATOM 1627 CA ASN B 81 1.097 13.237 -4.247 1.00 0.00 C ATOM 1628 C ASN B 81 -0.011 14.273 -4.260 1.00 0.00 C ATOM 1629 O ASN B 81 -1.184 13.943 -4.301 1.00 0.00 O ATOM 1630 CB ASN B 81 0.828 12.131 -5.269 1.00 0.00 C ATOM 1631 CG ASN B 81 1.442 12.431 -6.635 1.00 0.00 C ATOM 1632 OD1 ASN B 81 1.768 11.518 -7.397 1.00 0.00 O ATOM 1633 ND2 ASN B 81 1.640 13.705 -6.946 1.00 0.00 N ATOM 0 H ASN B 81 0.646 11.868 -2.726 1.00 0.00 H new ATOM 0 HA ASN B 81 2.047 13.689 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.229 11.189 -4.894 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.248 11.998 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN B 81 2.073 13.951 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.360 14.438 -6.295 1.00 0.00 H new ATOM 1640 N GLU B 82 0.391 15.521 -4.207 1.00 0.00 N ATOM 1641 CA GLU B 82 -0.515 16.663 -4.155 1.00 0.00 C ATOM 1642 C GLU B 82 -1.707 16.530 -5.104 1.00 0.00 C ATOM 1643 O GLU B 82 -2.845 16.812 -4.730 1.00 0.00 O ATOM 1644 CB GLU B 82 0.263 17.958 -4.451 1.00 0.00 C ATOM 1645 CG GLU B 82 1.292 17.842 -5.581 1.00 0.00 C ATOM 1646 CD GLU B 82 2.574 17.135 -5.160 1.00 0.00 C ATOM 1647 OE1 GLU B 82 3.443 17.772 -4.537 1.00 0.00 O ATOM 1648 OE2 GLU B 82 2.708 15.921 -5.437 1.00 0.00 O ATOM 0 H GLU B 82 1.376 15.785 -4.198 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.928 16.697 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.449 18.743 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.775 18.274 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.845 17.302 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.538 18.840 -5.943 1.00 0.00 H new ATOM 1655 N SER B 83 -1.452 16.090 -6.319 1.00 0.00 N ATOM 1656 CA SER B 83 -2.500 15.958 -7.310 1.00 0.00 C ATOM 1657 C SER B 83 -3.217 14.597 -7.306 1.00 0.00 C ATOM 1658 O SER B 83 -4.349 14.507 -7.795 1.00 0.00 O ATOM 1659 CB SER B 83 -1.897 16.219 -8.689 1.00 0.00 C ATOM 1660 OG SER B 83 -0.490 16.031 -8.663 1.00 0.00 O ATOM 0 H SER B 83 -0.525 15.817 -6.645 1.00 0.00 H new ATOM 0 HA SER B 83 -3.267 16.690 -7.056 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.346 15.547 -9.421 1.00 0.00 H new ATOM 0 HB3 SER B 83 -2.128 17.236 -9.006 1.00 0.00 H new ATOM 0 HG SER B 83 -0.121 16.201 -9.555 1.00 0.00 H new ATOM 1666 N THR B 84 -2.602 13.541 -6.767 1.00 0.00 N ATOM 1667 CA THR B 84 -3.230 12.217 -6.837 1.00 0.00 C ATOM 1668 C THR B 84 -3.272 11.425 -5.523 1.00 0.00 C ATOM 1669 O THR B 84 -3.750 10.299 -5.522 1.00 0.00 O ATOM 1670 CB THR B 84 -2.508 11.363 -7.893 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.121 11.262 -7.577 1.00 0.00 O ATOM 1672 CG2 THR B 84 -2.642 11.980 -9.265 1.00 0.00 C ATOM 0 H THR B 84 -1.700 13.571 -6.292 1.00 0.00 H new ATOM 0 HA THR B 84 -4.269 12.419 -7.097 1.00 0.00 H new ATOM 0 HB THR B 84 -2.967 10.374 -7.893 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.005 10.684 -6.794 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.124 11.359 -9.995 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.697 12.050 -9.531 1.00 0.00 H new ATOM 0 HG23 THR B 84 -2.202 12.977 -9.260 1.00 0.00 H new ATOM 1680 N ALA B 85 -2.824 12.008 -4.422 1.00 0.00 N ATOM 1681 CA ALA B 85 -2.779 11.310 -3.129 1.00 0.00 C ATOM 1682 C ALA B 85 -4.095 10.620 -2.791 1.00 0.00 C ATOM 1683 O ALA B 85 -4.145 9.401 -2.622 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.403 12.280 -2.020 1.00 0.00 C ATOM 0 H ALA B 85 -2.483 12.969 -4.390 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.018 10.534 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.373 11.750 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.422 12.708 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.144 13.078 -1.968 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.153 11.406 -2.700 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.479 10.891 -2.380 1.00 0.00 C ATOM 1692 C VAL B 86 -6.946 9.866 -3.416 1.00 0.00 C ATOM 1693 O VAL B 86 -7.462 8.801 -3.074 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.495 12.049 -2.311 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -8.916 11.532 -2.138 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.135 13.006 -1.185 1.00 0.00 C ATOM 0 H VAL B 86 -5.121 12.415 -2.845 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.417 10.397 -1.411 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.450 12.588 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.607 12.374 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.176 10.894 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -8.984 10.957 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -7.862 13.817 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.143 12.470 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.141 13.417 -1.361 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.716 10.183 -4.683 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.130 9.325 -5.788 1.00 0.00 C ATOM 1708 C LYS B 87 -6.395 7.987 -5.780 1.00 0.00 C ATOM 1709 O LYS B 87 -6.997 6.942 -6.025 1.00 0.00 O ATOM 1710 CB LYS B 87 -6.893 10.042 -7.118 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.555 11.410 -7.194 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.018 12.230 -8.357 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.545 13.656 -8.321 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.701 14.582 -9.123 1.00 0.00 N ATOM 0 H LYS B 87 -6.240 11.037 -4.974 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.193 9.117 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.820 10.157 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.269 9.419 -7.930 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.633 11.287 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.387 11.948 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -5.929 12.242 -8.323 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.302 11.759 -9.298 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.566 13.675 -8.701 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.583 14.003 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.263 15.412 -9.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -5.886 14.889 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.363 14.093 -9.976 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.103 8.017 -5.484 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.309 6.802 -5.467 1.00 0.00 C ATOM 1730 C GLU B 88 -4.630 5.980 -4.231 1.00 0.00 C ATOM 1731 O GLU B 88 -4.661 4.752 -4.286 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.822 7.137 -5.529 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.384 7.659 -6.886 1.00 0.00 C ATOM 1734 CD GLU B 88 -0.964 8.183 -6.886 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.697 9.177 -6.188 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.113 7.622 -7.607 1.00 0.00 O ATOM 0 H GLU B 88 -4.587 8.866 -5.254 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.559 6.207 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.592 7.883 -4.768 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.244 6.245 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.471 6.860 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.060 8.455 -7.199 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.889 6.668 -3.124 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.230 6.012 -1.867 1.00 0.00 C ATOM 1745 C ARG B 89 -6.409 5.075 -2.077 1.00 0.00 C ATOM 1746 O ARG B 89 -6.392 3.921 -1.646 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.574 7.067 -0.806 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.750 6.519 0.608 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.185 6.072 0.890 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.185 7.006 0.365 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.436 8.213 0.873 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -7.786 8.648 1.944 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.360 8.975 0.311 1.00 0.00 N ATOM 0 H ARG B 89 -4.869 7.686 -3.072 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.375 5.430 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.786 7.820 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.493 7.573 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -5.075 5.675 0.754 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.463 7.285 1.329 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.347 5.088 0.450 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.323 5.966 1.966 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.728 6.712 -0.447 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.084 8.057 2.390 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -7.988 9.574 2.322 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.873 8.638 -0.503 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -9.559 9.900 0.692 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.422 5.575 -2.763 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.615 4.794 -3.031 1.00 0.00 C ATOM 1769 C ASP B 90 -8.374 3.735 -4.094 1.00 0.00 C ATOM 1770 O ASP B 90 -8.932 2.644 -4.009 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.772 5.701 -3.440 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.582 6.143 -2.243 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -10.195 7.136 -1.596 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.584 5.469 -1.928 1.00 0.00 O ATOM 0 H ASP B 90 -7.441 6.521 -3.145 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.878 4.279 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.383 6.576 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.418 5.174 -4.142 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.513 4.032 -5.060 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.224 3.089 -6.140 1.00 0.00 C ATOM 1781 C ALA B 91 -6.516 1.855 -5.596 1.00 0.00 C ATOM 1782 O ALA B 91 -6.755 0.731 -6.040 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.385 3.756 -7.220 1.00 0.00 C ATOM 0 H ALA B 91 -7.003 4.914 -5.120 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.168 2.774 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.180 3.040 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.929 4.607 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.444 4.100 -6.790 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.659 2.082 -4.618 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.912 1.009 -3.985 1.00 0.00 C ATOM 1791 C VAL B 92 -5.840 0.235 -3.065 1.00 0.00 C ATOM 1792 O VAL B 92 -5.823 -0.991 -3.043 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.700 1.533 -3.181 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.929 0.382 -2.557 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.780 2.357 -4.063 1.00 0.00 C ATOM 0 H VAL B 92 -5.461 3.009 -4.241 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.523 0.362 -4.771 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.080 2.172 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -2.081 0.774 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.584 -0.172 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.569 -0.283 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.935 2.714 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.415 1.740 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.328 3.209 -4.465 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.658 0.977 -2.318 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.633 0.384 -1.409 1.00 0.00 C ATOM 1807 C LYS B 93 -8.504 -0.598 -2.179 1.00 0.00 C ATOM 1808 O LYS B 93 -8.716 -1.732 -1.758 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.500 1.491 -0.786 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.648 0.984 0.075 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.952 0.866 -0.711 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.667 2.202 -0.841 1.00 0.00 C ATOM 1813 NZ LYS B 93 -11.408 2.847 -2.156 1.00 0.00 N ATOM 0 H LYS B 93 -6.662 1.997 -2.327 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.116 -0.147 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.864 2.135 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.908 2.109 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.386 0.010 0.489 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.794 1.660 0.917 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.741 0.471 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.609 0.151 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.739 2.053 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.342 2.867 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.754 3.828 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -10.386 2.844 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.903 2.321 -2.904 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.976 -0.128 -3.322 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.816 -0.900 -4.221 1.00 0.00 C ATOM 1829 C ASP B 94 -9.144 -2.199 -4.641 1.00 0.00 C ATOM 1830 O ASP B 94 -9.692 -3.282 -4.445 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.138 -0.049 -5.450 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.422 0.744 -5.295 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.637 1.331 -4.211 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.217 0.778 -6.253 1.00 0.00 O ATOM 0 H ASP B 94 -8.783 0.816 -3.656 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.735 -1.166 -3.698 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.312 0.638 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.219 -0.696 -6.323 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.953 -2.089 -5.207 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.216 -3.264 -5.648 1.00 0.00 C ATOM 1841 C LEU B 95 -6.914 -4.189 -4.476 1.00 0.00 C ATOM 1842 O LEU B 95 -7.054 -5.405 -4.589 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.919 -2.858 -6.357 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.916 -3.059 -7.879 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.070 -2.307 -8.525 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.592 -2.605 -8.474 1.00 0.00 C ATOM 0 H LEU B 95 -7.477 -1.202 -5.372 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.842 -3.805 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.721 -1.807 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.096 -3.430 -5.929 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.043 -4.123 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.048 -2.464 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.014 -2.675 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.976 -1.242 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.608 -2.755 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.439 -1.548 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.779 -3.186 -8.039 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.548 -3.610 -3.344 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.214 -4.394 -2.164 1.00 0.00 C ATOM 1860 C LEU B 96 -7.413 -5.150 -1.611 1.00 0.00 C ATOM 1861 O LEU B 96 -7.331 -6.356 -1.395 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.604 -3.514 -1.088 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.190 -3.059 -1.411 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.609 -2.251 -0.268 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.307 -4.251 -1.733 1.00 0.00 C ATOM 0 H LEU B 96 -6.474 -2.601 -3.216 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.479 -5.136 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.236 -2.638 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.596 -4.059 -0.144 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.231 -2.416 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.597 -1.937 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.229 -1.372 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.583 -2.863 0.634 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.299 -3.906 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.275 -4.922 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.713 -4.782 -2.594 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.530 -4.455 -1.412 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.734 -5.085 -0.870 1.00 0.00 C ATOM 1879 C GLN B 97 -10.241 -6.182 -1.802 1.00 0.00 C ATOM 1880 O GLN B 97 -10.938 -7.102 -1.379 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.833 -4.043 -0.625 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.433 -3.467 -1.895 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.690 -2.654 -1.645 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -13.600 -2.636 -2.472 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.756 -1.973 -0.509 1.00 0.00 N ATOM 0 H GLN B 97 -8.628 -3.460 -1.616 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.472 -5.540 0.085 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.627 -4.500 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.421 -3.229 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.692 -2.837 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.665 -4.281 -2.582 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.982 -2.011 0.154 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.581 -1.411 -0.298 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.888 -6.078 -3.073 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.297 -7.066 -4.059 1.00 0.00 C ATOM 1896 C GLN B 98 -9.313 -8.236 -4.129 1.00 0.00 C ATOM 1897 O GLN B 98 -9.704 -9.380 -4.374 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.402 -6.412 -5.432 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.622 -5.520 -5.594 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.609 -4.757 -6.902 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -11.128 -5.255 -7.920 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -12.126 -3.539 -6.881 1.00 0.00 N ATOM 0 H GLN B 98 -9.319 -5.319 -3.447 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.268 -7.456 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.504 -5.821 -5.612 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.429 -7.191 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.524 -6.130 -5.541 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.665 -4.814 -4.765 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.514 -3.165 -6.015 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.136 -2.975 -7.731 1.00 0.00 H new ATOM 1911 N LEU B 99 -8.038 -7.944 -3.934 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.988 -8.958 -4.008 1.00 0.00 C ATOM 1913 C LEU B 99 -6.754 -9.687 -2.686 1.00 0.00 C ATOM 1914 O LEU B 99 -6.572 -10.902 -2.681 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.680 -8.314 -4.474 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.675 -7.882 -5.941 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.631 -6.805 -6.182 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.426 -9.078 -6.847 1.00 0.00 C ATOM 0 H LEU B 99 -7.699 -7.006 -3.721 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.327 -9.705 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.476 -7.443 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.865 -9.019 -4.313 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.654 -7.466 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.645 -6.513 -7.232 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.853 -5.937 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.644 -7.191 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.426 -8.753 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.461 -9.523 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.213 -9.817 -6.698 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.779 -8.951 -1.582 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.523 -9.516 -0.255 1.00 0.00 C ATOM 1932 C LEU B 100 -7.300 -10.811 0.036 1.00 0.00 C ATOM 1933 O LEU B 100 -6.679 -11.833 0.321 1.00 0.00 O ATOM 1934 CB LEU B 100 -6.785 -8.481 0.841 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.575 -7.628 1.211 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -5.890 -6.742 2.405 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.369 -8.500 1.505 1.00 0.00 C ATOM 0 H LEU B 100 -6.976 -7.950 -1.576 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.468 -9.789 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.591 -7.823 0.516 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.136 -8.998 1.734 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.338 -6.991 0.359 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.015 -6.142 2.653 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.724 -6.084 2.160 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.158 -7.364 3.259 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.519 -7.869 1.766 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -4.596 -9.166 2.337 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.124 -9.092 0.623 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.652 -10.815 -0.038 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.455 -12.019 0.253 1.00 0.00 C ATOM 1951 C PRO B 101 -9.107 -13.220 -0.631 1.00 0.00 C ATOM 1952 O PRO B 101 -9.413 -14.363 -0.285 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.895 -11.570 -0.019 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.863 -10.088 0.105 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.512 -9.670 -0.397 1.00 0.00 C ATOM 0 HA PRO B 101 -9.275 -12.366 1.271 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.224 -11.876 -1.012 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.589 -12.012 0.697 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.659 -9.628 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.010 -9.778 1.140 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.519 -9.493 -1.472 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.174 -8.748 0.076 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.456 -12.960 -1.757 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.090 -14.019 -2.688 1.00 0.00 C ATOM 1965 C LYS B 102 -6.743 -14.648 -2.339 1.00 0.00 C ATOM 1966 O LYS B 102 -6.377 -15.676 -2.904 1.00 0.00 O ATOM 1967 CB LYS B 102 -8.043 -13.480 -4.120 1.00 0.00 C ATOM 1968 CG LYS B 102 -9.368 -12.922 -4.616 1.00 0.00 C ATOM 1969 CD LYS B 102 -9.422 -12.873 -6.137 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.448 -11.850 -6.708 1.00 0.00 C ATOM 1971 NZ LYS B 102 -9.024 -10.478 -6.715 1.00 0.00 N ATOM 0 H LYS B 102 -8.171 -12.025 -2.048 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.856 -14.791 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.287 -12.697 -4.178 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.725 -14.280 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.186 -13.538 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.515 -11.920 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.191 -13.859 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.435 -12.628 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.530 -11.855 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.177 -12.135 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.312 -9.804 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.857 -10.454 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.306 -10.215 -5.749 1.00 0.00 H new ATOM 1985 N PHE B 103 -6.006 -14.043 -1.413 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.700 -14.574 -1.048 1.00 0.00 C ATOM 1987 C PHE B 103 -4.569 -14.782 0.453 1.00 0.00 C ATOM 1988 O PHE B 103 -3.926 -15.735 0.891 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.588 -13.649 -1.548 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.513 -13.557 -3.046 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.913 -14.564 -3.786 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -4.046 -12.468 -3.716 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.847 -14.484 -5.164 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.982 -12.383 -5.093 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.383 -13.392 -5.818 1.00 0.00 C ATOM 0 H PHE B 103 -6.285 -13.200 -0.910 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.602 -15.548 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.745 -12.651 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.631 -14.004 -1.165 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.493 -15.420 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.518 -11.675 -3.154 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.377 -15.275 -5.729 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.401 -11.527 -5.602 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.333 -13.328 -6.895 1.00 0.00 H new