USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 Single : A 30 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 33 GLN : amide:sc= -0.0405 K(o=-0.041,f=-0.63) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.655 K(o=-0.66,f=-4.5!) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= -0.987 (180deg=-1.46) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.309 X(o=0.31,f=-0.12) USER MOD Single : A 51 HIS : no HE2:sc= 0.279 K(o=0.28,f=-1) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.38 K(o=0.38,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -36:sc= 0.0625 USER MOD Single : A 74 ASN : amide:sc= -0.322 K(o=-0.32,f=-3.2!) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 1.55 (180deg=1.09) USER MOD Single : A 77 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-2.2!) USER MOD Single : A 80 THR OG1 : rot 77:sc= 0.32 USER MOD Single : A 82 TYR OH : rot 30:sc= -0.37 USER MOD Single : A 83 ASN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 88 THR OG1 : rot -59:sc= 0.117 USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0477) USER MOD Single : A 92 LYS NZ :NH3+ 172:sc=-0.000384 (180deg=-0.0769) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -6.019 4.851 1.319 1.00 0.00 N ATOM 96 CA ARG A 27 -5.628 5.344 -0.003 1.00 0.00 C ATOM 97 C ARG A 27 -4.898 6.688 0.152 1.00 0.00 C ATOM 98 O ARG A 27 -5.504 7.714 0.478 1.00 0.00 O ATOM 99 CB ARG A 27 -6.859 5.452 -0.948 1.00 0.00 C ATOM 100 CG ARG A 27 -6.573 6.155 -2.293 1.00 0.00 C ATOM 101 CD ARG A 27 -7.762 6.132 -3.263 1.00 0.00 C ATOM 102 NE ARG A 27 -8.922 6.883 -2.741 1.00 0.00 N ATOM 103 CZ ARG A 27 -10.150 6.375 -2.512 1.00 0.00 C ATOM 104 NH1 ARG A 27 -10.396 5.079 -2.702 1.00 0.00 N ATOM 105 NH2 ARG A 27 -11.109 7.171 -2.073 1.00 0.00 N ATOM 0 HA ARG A 27 -4.945 4.633 -0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.236 4.449 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.652 5.993 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.292 7.190 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.717 5.676 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.457 6.557 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.055 5.099 -3.452 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.782 7.872 -2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.652 4.460 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.329 4.706 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.917 8.159 -1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.041 6.797 -1.897 1.00 0.00 H new ATOM 119 N ALA A 28 -3.578 6.631 -0.066 1.00 0.00 N ATOM 120 CA ALA A 28 -2.656 7.759 0.127 1.00 0.00 C ATOM 121 C ALA A 28 -2.447 8.524 -1.186 1.00 0.00 C ATOM 122 O ALA A 28 -1.931 9.650 -1.186 1.00 0.00 O ATOM 123 CB ALA A 28 -1.308 7.244 0.668 1.00 0.00 C ATOM 0 H ALA A 28 -3.111 5.783 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.093 8.446 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.628 8.084 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.467 6.741 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.874 6.542 -0.044 1.00 0.00 H new ATOM 129 N TRP A 29 -2.830 7.886 -2.304 1.00 0.00 N ATOM 130 CA TRP A 29 -2.596 8.400 -3.657 1.00 0.00 C ATOM 131 C TRP A 29 -3.900 8.339 -4.440 1.00 0.00 C ATOM 132 O TRP A 29 -4.576 7.314 -4.434 1.00 0.00 O ATOM 133 CB TRP A 29 -1.517 7.537 -4.384 1.00 0.00 C ATOM 134 CG TRP A 29 -0.248 7.332 -3.594 1.00 0.00 C ATOM 135 CD1 TRP A 29 0.551 8.301 -3.055 1.00 0.00 C ATOM 136 CD2 TRP A 29 0.362 6.080 -3.252 1.00 0.00 C ATOM 137 NE1 TRP A 29 1.606 7.728 -2.394 1.00 0.00 N ATOM 138 CE2 TRP A 29 1.515 6.369 -2.507 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.039 4.742 -3.500 1.00 0.00 C ATOM 140 CZ2 TRP A 29 2.349 5.376 -2.017 1.00 0.00 C ATOM 141 CZ3 TRP A 29 0.869 3.753 -3.011 1.00 0.00 C ATOM 142 CH2 TRP A 29 2.014 4.076 -2.278 1.00 0.00 C ATOM 0 H TRP A 29 -3.316 6.989 -2.290 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.241 9.429 -3.595 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.946 6.563 -4.619 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.267 8.012 -5.333 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.376 9.364 -3.138 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.340 8.234 -1.898 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.845 4.487 -4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.234 5.621 -1.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.630 2.716 -3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.648 3.283 -1.910 1.00 0.00 H new ATOM 153 N THR A 30 -4.247 9.434 -5.116 1.00 0.00 N ATOM 154 CA THR A 30 -5.325 9.437 -6.109 1.00 0.00 C ATOM 155 C THR A 30 -4.784 8.866 -7.436 1.00 0.00 C ATOM 156 O THR A 30 -3.571 8.607 -7.544 1.00 0.00 O ATOM 157 CB THR A 30 -5.907 10.876 -6.299 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.864 11.791 -6.681 1.00 0.00 O ATOM 159 CG2 THR A 30 -6.595 11.381 -5.015 1.00 0.00 C ATOM 0 H THR A 30 -3.793 10.339 -4.993 1.00 0.00 H new ATOM 0 HA THR A 30 -6.144 8.808 -5.760 1.00 0.00 H new ATOM 0 HB THR A 30 -6.655 10.826 -7.091 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.242 12.687 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.988 12.384 -5.183 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.413 10.710 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.871 11.407 -4.200 1.00 0.00 H new ATOM 167 N VAL A 31 -5.664 8.675 -8.439 1.00 0.00 N ATOM 168 CA VAL A 31 -5.287 8.027 -9.720 1.00 0.00 C ATOM 169 C VAL A 31 -4.119 8.781 -10.414 1.00 0.00 C ATOM 170 O VAL A 31 -3.233 8.157 -10.999 1.00 0.00 O ATOM 171 CB VAL A 31 -6.519 7.848 -10.698 1.00 0.00 C ATOM 172 CG1 VAL A 31 -7.133 9.200 -11.129 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.155 6.973 -11.930 1.00 0.00 C ATOM 0 H VAL A 31 -6.642 8.959 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.939 7.025 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.286 7.319 -10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.974 9.021 -11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.480 9.740 -10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.379 9.794 -11.645 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.027 6.874 -12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.344 7.445 -12.484 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.839 5.985 -11.594 1.00 0.00 H new ATOM 183 N GLU A 32 -4.115 10.121 -10.276 1.00 0.00 N ATOM 184 CA GLU A 32 -3.076 11.006 -10.842 1.00 0.00 C ATOM 185 C GLU A 32 -1.746 10.905 -10.051 1.00 0.00 C ATOM 186 O GLU A 32 -0.659 10.957 -10.648 1.00 0.00 O ATOM 187 CB GLU A 32 -3.587 12.476 -10.865 1.00 0.00 C ATOM 188 CG GLU A 32 -3.835 13.096 -9.474 1.00 0.00 C ATOM 189 CD GLU A 32 -4.389 14.523 -9.533 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.627 15.451 -9.886 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.594 14.719 -9.252 1.00 0.00 O ATOM 0 H GLU A 32 -4.839 10.625 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.874 10.680 -11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.860 13.090 -11.397 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.515 12.514 -11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.533 12.466 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.900 13.100 -8.914 1.00 0.00 H new ATOM 198 N GLN A 33 -1.847 10.772 -8.708 1.00 0.00 N ATOM 199 CA GLN A 33 -0.675 10.663 -7.812 1.00 0.00 C ATOM 200 C GLN A 33 0.067 9.343 -8.050 1.00 0.00 C ATOM 201 O GLN A 33 1.289 9.291 -7.937 1.00 0.00 O ATOM 202 CB GLN A 33 -1.108 10.766 -6.326 1.00 0.00 C ATOM 203 CG GLN A 33 -1.758 12.100 -5.935 1.00 0.00 C ATOM 204 CD GLN A 33 -0.823 13.292 -6.096 1.00 0.00 C ATOM 205 OE1 GLN A 33 -0.781 13.922 -7.149 1.00 0.00 O ATOM 206 NE2 GLN A 33 -0.044 13.601 -5.063 1.00 0.00 N ATOM 0 H GLN A 33 -2.741 10.737 -8.218 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.002 11.490 -8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.809 9.960 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.233 10.606 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.646 12.257 -6.547 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.091 12.045 -4.899 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.102 13.059 -4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.611 14.380 -5.133 1.00 0.00 H new ATOM 215 N LEU A 34 -0.692 8.289 -8.392 1.00 0.00 N ATOM 216 CA LEU A 34 -0.133 6.997 -8.827 1.00 0.00 C ATOM 217 C LEU A 34 0.739 7.216 -10.076 1.00 0.00 C ATOM 218 O LEU A 34 1.904 6.832 -10.101 1.00 0.00 O ATOM 219 CB LEU A 34 -1.279 5.997 -9.128 1.00 0.00 C ATOM 220 CG LEU A 34 -2.130 5.562 -7.899 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.400 4.813 -8.342 1.00 0.00 C ATOM 222 CD2 LEU A 34 -1.289 4.711 -6.918 1.00 0.00 C ATOM 0 H LEU A 34 -1.712 8.308 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 34 0.484 6.578 -8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.943 6.444 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.849 5.105 -9.584 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.445 6.462 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.975 4.521 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.005 5.464 -8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.120 3.922 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.906 4.420 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.929 3.818 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.439 5.295 -6.566 1.00 0.00 H new ATOM 234 N ARG A 35 0.154 7.951 -11.051 1.00 0.00 N ATOM 235 CA ARG A 35 0.771 8.241 -12.373 1.00 0.00 C ATOM 236 C ARG A 35 2.006 9.178 -12.280 1.00 0.00 C ATOM 237 O ARG A 35 2.728 9.336 -13.271 1.00 0.00 O ATOM 238 CB ARG A 35 -0.286 8.869 -13.320 1.00 0.00 C ATOM 239 CG ARG A 35 -1.482 7.949 -13.645 1.00 0.00 C ATOM 240 CD ARG A 35 -2.549 8.644 -14.502 1.00 0.00 C ATOM 241 NE ARG A 35 -2.015 9.072 -15.817 1.00 0.00 N ATOM 242 CZ ARG A 35 -2.504 8.716 -17.017 1.00 0.00 C ATOM 243 NH1 ARG A 35 -3.531 7.878 -17.126 1.00 0.00 N ATOM 244 NH2 ARG A 35 -1.952 9.205 -18.122 1.00 0.00 N ATOM 0 H ARG A 35 -0.772 8.366 -10.943 1.00 0.00 H new ATOM 0 HA ARG A 35 1.123 7.289 -12.769 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.662 9.786 -12.867 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.203 9.152 -14.253 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.122 7.063 -14.168 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.935 7.607 -12.715 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.389 7.966 -14.655 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.934 9.512 -13.967 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.205 9.692 -15.810 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.965 7.491 -16.288 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.885 7.622 -18.048 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.162 9.847 -18.056 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.318 8.939 -19.036 1.00 0.00 H new ATOM 258 N SER A 36 2.206 9.819 -11.106 1.00 0.00 N ATOM 259 CA SER A 36 3.371 10.690 -10.835 1.00 0.00 C ATOM 260 C SER A 36 4.681 9.900 -11.052 1.00 0.00 C ATOM 261 O SER A 36 4.917 8.901 -10.366 1.00 0.00 O ATOM 262 CB SER A 36 3.295 11.232 -9.384 1.00 0.00 C ATOM 263 OG SER A 36 4.404 12.057 -9.058 1.00 0.00 O ATOM 0 H SER A 36 1.562 9.746 -10.318 1.00 0.00 H new ATOM 0 HA SER A 36 3.358 11.535 -11.524 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.373 11.800 -9.259 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.251 10.395 -8.688 1.00 0.00 H new ATOM 0 HG SER A 36 4.314 12.377 -8.136 1.00 0.00 H new ATOM 269 N GLU A 37 5.507 10.348 -12.028 1.00 0.00 N ATOM 270 CA GLU A 37 6.713 9.616 -12.475 1.00 0.00 C ATOM 271 C GLU A 37 7.780 9.531 -11.370 1.00 0.00 C ATOM 272 O GLU A 37 8.511 8.535 -11.274 1.00 0.00 O ATOM 273 CB GLU A 37 7.314 10.253 -13.762 1.00 0.00 C ATOM 274 CG GLU A 37 7.825 11.703 -13.611 1.00 0.00 C ATOM 275 CD GLU A 37 8.469 12.257 -14.899 1.00 0.00 C ATOM 276 OE1 GLU A 37 9.660 11.970 -15.150 1.00 0.00 O ATOM 277 OE2 GLU A 37 7.786 12.979 -15.666 1.00 0.00 O ATOM 0 H GLU A 37 5.355 11.225 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 37 6.396 8.599 -12.707 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.140 9.629 -14.103 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.555 10.233 -14.544 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.994 12.346 -13.322 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.554 11.742 -12.802 1.00 0.00 H new ATOM 284 N GLN A 38 7.856 10.591 -10.548 1.00 0.00 N ATOM 285 CA GLN A 38 8.810 10.681 -9.432 1.00 0.00 C ATOM 286 C GLN A 38 8.387 9.778 -8.267 1.00 0.00 C ATOM 287 O GLN A 38 9.226 9.397 -7.446 1.00 0.00 O ATOM 288 CB GLN A 38 8.987 12.160 -8.983 1.00 0.00 C ATOM 289 CG GLN A 38 9.609 13.079 -10.065 1.00 0.00 C ATOM 290 CD GLN A 38 11.089 12.785 -10.406 1.00 0.00 C ATOM 291 OE1 GLN A 38 11.580 11.662 -10.275 1.00 0.00 O ATOM 292 NE2 GLN A 38 11.810 13.794 -10.877 1.00 0.00 N ATOM 0 H GLN A 38 7.256 11.411 -10.640 1.00 0.00 H new ATOM 0 HA GLN A 38 9.779 10.322 -9.778 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.015 12.560 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.617 12.186 -8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.018 12.991 -10.977 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.528 14.113 -9.731 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.389 14.717 -10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.785 13.646 -11.137 1.00 0.00 H new ATOM 301 N LEU A 39 7.087 9.440 -8.200 1.00 0.00 N ATOM 302 CA LEU A 39 6.580 8.436 -7.261 1.00 0.00 C ATOM 303 C LEU A 39 6.963 7.048 -7.822 1.00 0.00 C ATOM 304 O LEU A 39 6.507 6.693 -8.920 1.00 0.00 O ATOM 305 CB LEU A 39 5.035 8.600 -7.069 1.00 0.00 C ATOM 306 CG LEU A 39 4.409 7.973 -5.768 1.00 0.00 C ATOM 307 CD1 LEU A 39 3.006 8.534 -5.503 1.00 0.00 C ATOM 308 CD2 LEU A 39 4.374 6.425 -5.783 1.00 0.00 C ATOM 0 H LEU A 39 6.367 9.854 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 39 7.021 8.557 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.803 9.665 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.537 8.158 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 39 5.072 8.263 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.599 8.083 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.065 9.615 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.356 8.303 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.930 6.062 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.778 6.083 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.389 6.039 -5.875 1.00 0.00 H new ATOM 320 N PRO A 40 7.814 6.247 -7.097 1.00 0.00 N ATOM 321 CA PRO A 40 8.272 4.923 -7.575 1.00 0.00 C ATOM 322 C PRO A 40 7.116 3.911 -7.651 1.00 0.00 C ATOM 323 O PRO A 40 6.284 3.836 -6.741 1.00 0.00 O ATOM 324 CB PRO A 40 9.348 4.492 -6.529 1.00 0.00 C ATOM 325 CG PRO A 40 9.667 5.750 -5.769 1.00 0.00 C ATOM 326 CD PRO A 40 8.389 6.553 -5.763 1.00 0.00 C ATOM 0 HA PRO A 40 8.671 4.965 -8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.967 3.715 -5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.235 4.088 -7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.993 5.523 -4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.476 6.303 -6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.723 6.251 -4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.579 7.619 -5.638 1.00 0.00 H new ATOM 334 N LYS A 41 7.072 3.147 -8.752 1.00 0.00 N ATOM 335 CA LYS A 41 6.067 2.094 -8.955 1.00 0.00 C ATOM 336 C LYS A 41 6.252 0.974 -7.902 1.00 0.00 C ATOM 337 O LYS A 41 5.278 0.396 -7.435 1.00 0.00 O ATOM 338 CB LYS A 41 6.167 1.512 -10.395 1.00 0.00 C ATOM 339 CG LYS A 41 7.446 0.700 -10.676 1.00 0.00 C ATOM 340 CD LYS A 41 7.296 -0.285 -11.842 1.00 0.00 C ATOM 341 CE LYS A 41 7.029 0.384 -13.188 1.00 0.00 C ATOM 342 NZ LYS A 41 7.119 -0.593 -14.301 1.00 0.00 N ATOM 0 H LYS A 41 7.731 3.241 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 41 5.075 2.529 -8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.302 0.874 -10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.111 2.334 -11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.264 1.387 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.723 0.149 -9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.204 -0.883 -11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.480 -0.972 -11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.039 0.840 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.749 1.187 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.786 -0.149 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.107 -0.895 -14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.527 -1.420 -14.085 1.00 0.00 H new ATOM 356 N LYS A 42 7.514 0.726 -7.507 1.00 0.00 N ATOM 357 CA LYS A 42 7.880 -0.303 -6.511 1.00 0.00 C ATOM 358 C LYS A 42 7.441 0.109 -5.090 1.00 0.00 C ATOM 359 O LYS A 42 7.198 -0.745 -4.237 1.00 0.00 O ATOM 360 CB LYS A 42 9.401 -0.591 -6.599 1.00 0.00 C ATOM 361 CG LYS A 42 10.303 0.639 -6.382 1.00 0.00 C ATOM 362 CD LYS A 42 11.783 0.353 -6.711 1.00 0.00 C ATOM 363 CE LYS A 42 12.679 1.583 -6.521 1.00 0.00 C ATOM 364 NZ LYS A 42 14.089 1.305 -6.898 1.00 0.00 N ATOM 0 H LYS A 42 8.317 1.238 -7.872 1.00 0.00 H new ATOM 0 HA LYS A 42 7.347 -1.226 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.657 -1.348 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.620 -1.017 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.948 1.460 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.221 0.967 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.143 -0.456 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.862 0.007 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.298 2.407 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.638 1.905 -5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.662 2.161 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.462 0.536 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.132 1.023 -7.898 1.00 0.00 H new ATOM 378 N ASP A 43 7.348 1.429 -4.847 1.00 0.00 N ATOM 379 CA ASP A 43 6.790 1.979 -3.593 1.00 0.00 C ATOM 380 C ASP A 43 5.296 1.580 -3.466 1.00 0.00 C ATOM 381 O ASP A 43 4.807 1.272 -2.367 1.00 0.00 O ATOM 382 CB ASP A 43 6.962 3.521 -3.570 1.00 0.00 C ATOM 383 CG ASP A 43 6.645 4.162 -2.206 1.00 0.00 C ATOM 384 OD1 ASP A 43 5.466 4.465 -1.935 1.00 0.00 O ATOM 385 OD2 ASP A 43 7.578 4.367 -1.395 1.00 0.00 O ATOM 0 H ASP A 43 7.655 2.142 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 43 7.329 1.565 -2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.987 3.767 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.313 3.961 -4.327 1.00 0.00 H new ATOM 390 N ILE A 44 4.596 1.562 -4.621 1.00 0.00 N ATOM 391 CA ILE A 44 3.178 1.165 -4.718 1.00 0.00 C ATOM 392 C ILE A 44 3.040 -0.369 -4.553 1.00 0.00 C ATOM 393 O ILE A 44 2.201 -0.833 -3.788 1.00 0.00 O ATOM 394 CB ILE A 44 2.542 1.619 -6.093 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.823 3.133 -6.357 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.021 1.320 -6.142 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.374 3.639 -7.724 1.00 0.00 C ATOM 0 H ILE A 44 5.004 1.825 -5.518 1.00 0.00 H new ATOM 0 HA ILE A 44 2.637 1.665 -3.915 1.00 0.00 H new ATOM 0 HB ILE A 44 3.015 1.039 -6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.324 3.720 -5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.893 3.313 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.617 1.645 -7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.857 0.249 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.519 1.856 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.610 4.699 -7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.892 3.083 -8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.298 3.497 -7.829 1.00 0.00 H new ATOM 409 N ILE A 45 3.890 -1.132 -5.276 1.00 0.00 N ATOM 410 CA ILE A 45 3.910 -2.624 -5.221 1.00 0.00 C ATOM 411 C ILE A 45 4.133 -3.120 -3.777 1.00 0.00 C ATOM 412 O ILE A 45 3.507 -4.090 -3.347 1.00 0.00 O ATOM 413 CB ILE A 45 5.037 -3.227 -6.151 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.823 -2.796 -7.629 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.125 -4.778 -6.034 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.968 -3.135 -8.572 1.00 0.00 C ATOM 0 H ILE A 45 4.582 -0.739 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 45 2.938 -2.965 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 45 5.989 -2.823 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.914 -3.269 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.657 -1.719 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.913 -5.148 -6.690 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.352 -5.053 -5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.172 -5.220 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.724 -2.794 -9.578 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.878 -2.640 -8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.124 -4.214 -8.582 1.00 0.00 H new ATOM 428 N LYS A 46 5.018 -2.423 -3.037 1.00 0.00 N ATOM 429 CA LYS A 46 5.328 -2.745 -1.630 1.00 0.00 C ATOM 430 C LYS A 46 4.078 -2.579 -0.746 1.00 0.00 C ATOM 431 O LYS A 46 3.782 -3.428 0.097 1.00 0.00 O ATOM 432 CB LYS A 46 6.463 -1.840 -1.093 1.00 0.00 C ATOM 433 CG LYS A 46 6.970 -2.235 0.319 1.00 0.00 C ATOM 434 CD LYS A 46 7.922 -1.196 0.942 1.00 0.00 C ATOM 435 CE LYS A 46 9.165 -0.916 0.082 1.00 0.00 C ATOM 436 NZ LYS A 46 10.028 0.121 0.697 1.00 0.00 N ATOM 0 H LYS A 46 5.537 -1.622 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 46 5.657 -3.784 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.300 -1.872 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.110 -0.809 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.113 -2.373 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.483 -3.195 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.379 -0.264 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.240 -1.548 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.735 -1.836 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.856 -0.591 -0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.857 0.286 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.490 1.006 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.342 -0.200 1.635 1.00 0.00 H new ATOM 450 N PHE A 47 3.357 -1.461 -0.972 1.00 0.00 N ATOM 451 CA PHE A 47 2.095 -1.153 -0.267 1.00 0.00 C ATOM 452 C PHE A 47 1.055 -2.261 -0.518 1.00 0.00 C ATOM 453 O PHE A 47 0.416 -2.769 0.418 1.00 0.00 O ATOM 454 CB PHE A 47 1.550 0.229 -0.740 1.00 0.00 C ATOM 455 CG PHE A 47 0.189 0.623 -0.165 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.046 0.548 1.200 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.850 1.055 -0.985 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.269 0.894 1.732 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.076 1.403 -0.449 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.282 1.325 0.904 1.00 0.00 C ATOM 0 H PHE A 47 3.633 -0.748 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 47 2.289 -1.106 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.275 0.998 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.478 0.221 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.743 0.213 1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.696 1.119 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.433 0.827 2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.873 1.737 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.239 1.602 1.321 1.00 0.00 H new ATOM 470 N LEU A 48 0.942 -2.638 -1.790 1.00 0.00 N ATOM 471 CA LEU A 48 -0.052 -3.600 -2.272 1.00 0.00 C ATOM 472 C LEU A 48 0.276 -5.041 -1.841 1.00 0.00 C ATOM 473 O LEU A 48 -0.637 -5.841 -1.670 1.00 0.00 O ATOM 474 CB LEU A 48 -0.186 -3.490 -3.809 1.00 0.00 C ATOM 475 CG LEU A 48 -0.676 -2.106 -4.352 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.701 -2.077 -5.900 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.048 -1.735 -3.755 1.00 0.00 C ATOM 0 H LEU A 48 1.547 -2.279 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.010 -3.352 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.783 -3.712 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.879 -4.259 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 48 0.041 -1.351 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.046 -1.101 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.303 -2.261 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.377 -2.849 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.367 -0.769 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.780 -2.496 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.969 -1.677 -2.669 1.00 0.00 H new ATOM 489 N GLN A 49 1.580 -5.377 -1.693 1.00 0.00 N ATOM 490 CA GLN A 49 1.992 -6.739 -1.277 1.00 0.00 C ATOM 491 C GLN A 49 1.955 -6.894 0.249 1.00 0.00 C ATOM 492 O GLN A 49 1.656 -7.979 0.754 1.00 0.00 O ATOM 493 CB GLN A 49 3.377 -7.160 -1.848 1.00 0.00 C ATOM 494 CG GLN A 49 4.602 -6.498 -1.187 1.00 0.00 C ATOM 495 CD GLN A 49 5.951 -7.072 -1.643 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.891 -7.135 -0.867 1.00 0.00 O ATOM 497 NE2 GLN A 49 6.076 -7.449 -2.910 1.00 0.00 N ATOM 0 H GLN A 49 2.355 -4.733 -1.853 1.00 0.00 H new ATOM 0 HA GLN A 49 1.259 -7.421 -1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.475 -8.241 -1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.395 -6.932 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.583 -5.430 -1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.520 -6.607 -0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.277 -7.388 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.971 -7.800 -3.252 1.00 0.00 H new ATOM 506 N GLU A 50 2.277 -5.810 0.970 1.00 0.00 N ATOM 507 CA GLU A 50 2.291 -5.797 2.450 1.00 0.00 C ATOM 508 C GLU A 50 0.864 -5.938 3.005 1.00 0.00 C ATOM 509 O GLU A 50 0.624 -6.640 3.992 1.00 0.00 O ATOM 510 CB GLU A 50 2.934 -4.480 2.966 1.00 0.00 C ATOM 511 CG GLU A 50 2.982 -4.338 4.508 1.00 0.00 C ATOM 512 CD GLU A 50 3.691 -3.060 4.990 1.00 0.00 C ATOM 513 OE1 GLU A 50 3.212 -1.951 4.667 1.00 0.00 O ATOM 514 OE2 GLU A 50 4.714 -3.148 5.707 1.00 0.00 O ATOM 0 H GLU A 50 2.535 -4.917 0.550 1.00 0.00 H new ATOM 0 HA GLU A 50 2.884 -6.643 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.950 -4.413 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.379 -3.637 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.964 -4.346 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.491 -5.206 4.928 1.00 0.00 H new ATOM 521 N HIS A 51 -0.071 -5.260 2.331 1.00 0.00 N ATOM 522 CA HIS A 51 -1.476 -5.188 2.754 1.00 0.00 C ATOM 523 C HIS A 51 -2.330 -6.228 2.025 1.00 0.00 C ATOM 524 O HIS A 51 -3.061 -6.973 2.671 1.00 0.00 O ATOM 525 CB HIS A 51 -2.009 -3.757 2.541 1.00 0.00 C ATOM 526 CG HIS A 51 -1.412 -2.772 3.507 1.00 0.00 C ATOM 527 ND1 HIS A 51 -0.218 -2.115 3.288 1.00 0.00 N ATOM 528 CD2 HIS A 51 -1.841 -2.365 4.723 1.00 0.00 C ATOM 529 CE1 HIS A 51 0.057 -1.357 4.331 1.00 0.00 C ATOM 530 NE2 HIS A 51 -0.913 -1.489 5.213 1.00 0.00 N ATOM 0 H HIS A 51 0.125 -4.743 1.474 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.538 -5.423 3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.791 -3.439 1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.094 -3.756 2.650 1.00 0.00 H new ATOM 0 HD1 HIS A 51 0.360 -2.202 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.750 -2.675 5.217 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.931 -0.732 4.444 1.00 0.00 H new ATOM 539 N GLY A 52 -2.214 -6.283 0.686 1.00 0.00 N ATOM 540 CA GLY A 52 -2.947 -7.251 -0.140 1.00 0.00 C ATOM 541 C GLY A 52 -2.624 -8.706 0.188 1.00 0.00 C ATOM 542 O GLY A 52 -1.466 -9.038 0.464 1.00 0.00 O ATOM 0 H GLY A 52 -1.611 -5.659 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.017 -7.088 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.720 -7.065 -1.190 1.00 0.00 H new ATOM 546 N SER A 53 -3.657 -9.570 0.156 1.00 0.00 N ATOM 547 CA SER A 53 -3.517 -10.998 0.516 1.00 0.00 C ATOM 548 C SER A 53 -3.121 -11.852 -0.714 1.00 0.00 C ATOM 549 O SER A 53 -3.102 -11.348 -1.839 1.00 0.00 O ATOM 550 CB SER A 53 -4.830 -11.503 1.176 1.00 0.00 C ATOM 551 OG SER A 53 -4.670 -12.800 1.733 1.00 0.00 O ATOM 0 H SER A 53 -4.603 -9.304 -0.117 1.00 0.00 H new ATOM 0 HA SER A 53 -2.709 -11.103 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.137 -10.807 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.628 -11.521 0.433 1.00 0.00 H new ATOM 0 HG SER A 53 -5.513 -13.087 2.141 1.00 0.00 H new ATOM 557 N ASP A 54 -2.847 -13.150 -0.460 1.00 0.00 N ATOM 558 CA ASP A 54 -2.251 -14.119 -1.420 1.00 0.00 C ATOM 559 C ASP A 54 -2.930 -14.121 -2.807 1.00 0.00 C ATOM 560 O ASP A 54 -2.247 -14.118 -3.837 1.00 0.00 O ATOM 561 CB ASP A 54 -2.314 -15.545 -0.812 1.00 0.00 C ATOM 562 CG ASP A 54 -1.480 -15.695 0.474 1.00 0.00 C ATOM 563 OD1 ASP A 54 -1.888 -15.151 1.518 1.00 0.00 O ATOM 564 OD2 ASP A 54 -0.408 -16.345 0.448 1.00 0.00 O ATOM 0 H ASP A 54 -3.039 -13.572 0.449 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.220 -13.804 -1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.353 -15.794 -0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.962 -16.264 -1.552 1.00 0.00 H new ATOM 569 N SER A 55 -4.273 -14.124 -2.809 1.00 0.00 N ATOM 570 CA SER A 55 -5.085 -14.161 -4.044 1.00 0.00 C ATOM 571 C SER A 55 -4.906 -12.861 -4.859 1.00 0.00 C ATOM 572 O SER A 55 -4.714 -12.916 -6.073 1.00 0.00 O ATOM 573 CB SER A 55 -6.577 -14.395 -3.699 1.00 0.00 C ATOM 574 OG SER A 55 -7.399 -14.383 -4.857 1.00 0.00 O ATOM 0 H SER A 55 -4.830 -14.101 -1.955 1.00 0.00 H new ATOM 0 HA SER A 55 -4.739 -14.991 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.685 -15.351 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.914 -13.623 -3.007 1.00 0.00 H new ATOM 0 HG SER A 55 -8.332 -14.535 -4.598 1.00 0.00 H new ATOM 580 N PHE A 56 -4.911 -11.707 -4.162 1.00 0.00 N ATOM 581 CA PHE A 56 -4.677 -10.383 -4.780 1.00 0.00 C ATOM 582 C PHE A 56 -3.266 -10.322 -5.396 1.00 0.00 C ATOM 583 O PHE A 56 -3.071 -9.786 -6.499 1.00 0.00 O ATOM 584 CB PHE A 56 -4.862 -9.267 -3.707 1.00 0.00 C ATOM 585 CG PHE A 56 -4.516 -7.852 -4.179 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.381 -7.139 -5.002 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.316 -7.246 -3.809 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.052 -5.875 -5.445 1.00 0.00 C ATOM 589 CE2 PHE A 56 -2.991 -5.984 -4.248 1.00 0.00 C ATOM 590 CZ PHE A 56 -3.856 -5.296 -5.066 1.00 0.00 C ATOM 0 H PHE A 56 -5.077 -11.665 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.401 -10.225 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.898 -9.278 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.242 -9.508 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.321 -7.580 -5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.630 -7.777 -3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.731 -5.336 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.056 -5.533 -3.950 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.601 -4.305 -5.412 1.00 0.00 H new ATOM 600 N LEU A 57 -2.302 -10.904 -4.668 1.00 0.00 N ATOM 601 CA LEU A 57 -0.884 -10.867 -5.039 1.00 0.00 C ATOM 602 C LEU A 57 -0.583 -11.774 -6.227 1.00 0.00 C ATOM 603 O LEU A 57 0.271 -11.449 -7.032 1.00 0.00 O ATOM 604 CB LEU A 57 0.012 -11.236 -3.831 1.00 0.00 C ATOM 605 CG LEU A 57 -0.134 -10.325 -2.579 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.967 -10.608 -1.541 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.198 -8.842 -2.983 1.00 0.00 C ATOM 0 H LEU A 57 -2.486 -11.414 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.656 -9.845 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.209 -12.262 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.053 -11.214 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.080 -10.565 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.833 -9.953 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.905 -11.647 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.944 -10.424 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.300 -8.226 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.716 -8.569 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.056 -8.679 -3.636 1.00 0.00 H new ATOM 619 N ALA A 58 -1.264 -12.924 -6.313 1.00 0.00 N ATOM 620 CA ALA A 58 -1.074 -13.879 -7.418 1.00 0.00 C ATOM 621 C ALA A 58 -1.710 -13.349 -8.712 1.00 0.00 C ATOM 622 O ALA A 58 -1.048 -13.310 -9.756 1.00 0.00 O ATOM 623 CB ALA A 58 -1.653 -15.239 -7.036 1.00 0.00 C ATOM 0 H ALA A 58 -1.957 -13.219 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.006 -13.998 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.509 -15.940 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.146 -15.614 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.718 -15.136 -6.830 1.00 0.00 H new ATOM 629 N GLU A 59 -2.982 -12.904 -8.612 1.00 0.00 N ATOM 630 CA GLU A 59 -3.745 -12.331 -9.745 1.00 0.00 C ATOM 631 C GLU A 59 -3.006 -11.146 -10.409 1.00 0.00 C ATOM 632 O GLU A 59 -3.051 -10.986 -11.631 1.00 0.00 O ATOM 633 CB GLU A 59 -5.148 -11.872 -9.262 1.00 0.00 C ATOM 634 CG GLU A 59 -6.109 -13.016 -8.876 1.00 0.00 C ATOM 635 CD GLU A 59 -6.529 -13.884 -10.075 1.00 0.00 C ATOM 636 OE1 GLU A 59 -7.433 -13.463 -10.827 1.00 0.00 O ATOM 637 OE2 GLU A 59 -5.964 -14.979 -10.271 1.00 0.00 O ATOM 0 H GLU A 59 -3.511 -12.932 -7.740 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.849 -13.115 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.023 -11.216 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.611 -11.278 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.630 -13.648 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.000 -12.593 -8.412 1.00 0.00 H new ATOM 644 N HIS A 60 -2.323 -10.328 -9.590 1.00 0.00 N ATOM 645 CA HIS A 60 -1.618 -9.119 -10.064 1.00 0.00 C ATOM 646 C HIS A 60 -0.077 -9.288 -10.040 1.00 0.00 C ATOM 647 O HIS A 60 0.647 -8.349 -10.371 1.00 0.00 O ATOM 648 CB HIS A 60 -2.058 -7.903 -9.202 1.00 0.00 C ATOM 649 CG HIS A 60 -3.534 -7.587 -9.289 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.426 -7.863 -8.277 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.262 -7.014 -10.275 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.637 -7.485 -8.640 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.568 -6.965 -9.853 1.00 0.00 N ATOM 0 H HIS A 60 -2.243 -10.483 -8.585 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.891 -8.950 -11.106 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.800 -8.097 -8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.491 -7.026 -9.514 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.187 -8.294 -7.384 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.884 -6.659 -11.223 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.533 -7.584 -8.046 1.00 0.00 H new ATOM 662 N LYS A 61 0.398 -10.487 -9.634 1.00 0.00 N ATOM 663 CA LYS A 61 1.848 -10.854 -9.599 1.00 0.00 C ATOM 664 C LYS A 61 2.702 -9.854 -8.773 1.00 0.00 C ATOM 665 O LYS A 61 3.872 -9.624 -9.081 1.00 0.00 O ATOM 666 CB LYS A 61 2.406 -11.029 -11.044 1.00 0.00 C ATOM 667 CG LYS A 61 1.757 -12.186 -11.831 1.00 0.00 C ATOM 668 CD LYS A 61 2.344 -12.367 -13.250 1.00 0.00 C ATOM 669 CE LYS A 61 3.854 -12.681 -13.239 1.00 0.00 C ATOM 670 NZ LYS A 61 4.377 -12.983 -14.591 1.00 0.00 N ATOM 0 H LYS A 61 -0.213 -11.240 -9.317 1.00 0.00 H new ATOM 0 HA LYS A 61 1.924 -11.811 -9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.257 -10.100 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.481 -11.199 -10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.885 -13.113 -11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.685 -12.006 -11.909 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.814 -13.173 -13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.171 -11.459 -13.828 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.396 -11.831 -12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.041 -13.530 -12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.395 -13.187 -14.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.880 -13.810 -14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.224 -12.164 -15.213 1.00 0.00 H new ATOM 684 N LEU A 62 2.111 -9.322 -7.686 1.00 0.00 N ATOM 685 CA LEU A 62 2.748 -8.294 -6.830 1.00 0.00 C ATOM 686 C LEU A 62 3.559 -8.922 -5.686 1.00 0.00 C ATOM 687 O LEU A 62 4.251 -8.208 -4.964 1.00 0.00 O ATOM 688 CB LEU A 62 1.669 -7.331 -6.274 1.00 0.00 C ATOM 689 CG LEU A 62 0.853 -6.562 -7.356 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.232 -5.686 -6.714 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.778 -5.742 -8.287 1.00 0.00 C ATOM 0 H LEU A 62 1.178 -9.591 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 62 3.449 -7.731 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.976 -7.903 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.153 -6.605 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 62 0.348 -7.301 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.785 -5.162 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.916 -6.314 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.234 -4.959 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.176 -5.219 -9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.338 -5.016 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.473 -6.413 -8.792 1.00 0.00 H new ATOM 703 N LEU A 63 3.467 -10.253 -5.540 1.00 0.00 N ATOM 704 CA LEU A 63 4.195 -11.019 -4.503 1.00 0.00 C ATOM 705 C LEU A 63 5.699 -11.138 -4.830 1.00 0.00 C ATOM 706 O LEU A 63 6.122 -10.950 -5.980 1.00 0.00 O ATOM 707 CB LEU A 63 3.523 -12.423 -4.309 1.00 0.00 C ATOM 708 CG LEU A 63 3.058 -13.197 -5.604 1.00 0.00 C ATOM 709 CD1 LEU A 63 4.227 -13.705 -6.480 1.00 0.00 C ATOM 710 CD2 LEU A 63 2.085 -14.342 -5.241 1.00 0.00 C ATOM 0 H LEU A 63 2.883 -10.836 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 63 4.130 -10.475 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.225 -13.060 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.653 -12.293 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 63 2.529 -12.469 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.829 -14.226 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.830 -12.859 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.846 -14.389 -5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.778 -14.861 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.583 -15.044 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.207 -13.929 -4.745 1.00 0.00 H new ATOM 722 N GLY A 64 6.485 -11.485 -3.800 1.00 0.00 N ATOM 723 CA GLY A 64 7.913 -11.756 -3.947 1.00 0.00 C ATOM 724 C GLY A 64 8.775 -10.495 -3.980 1.00 0.00 C ATOM 725 O GLY A 64 8.442 -9.494 -3.332 1.00 0.00 O ATOM 0 H GLY A 64 6.144 -11.584 -2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.241 -12.389 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.074 -12.320 -4.865 1.00 0.00 H new ATOM 729 N ASN A 65 9.901 -10.557 -4.733 1.00 0.00 N ATOM 730 CA ASN A 65 10.862 -9.440 -4.848 1.00 0.00 C ATOM 731 C ASN A 65 10.211 -8.282 -5.608 1.00 0.00 C ATOM 732 O ASN A 65 9.914 -8.410 -6.796 1.00 0.00 O ATOM 733 CB ASN A 65 12.179 -9.883 -5.552 1.00 0.00 C ATOM 734 CG ASN A 65 13.089 -10.809 -4.717 1.00 0.00 C ATOM 735 OD1 ASN A 65 14.318 -10.764 -4.848 1.00 0.00 O ATOM 736 ND2 ASN A 65 12.517 -11.655 -3.862 1.00 0.00 N ATOM 0 H ASN A 65 10.165 -11.380 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 65 11.128 -9.113 -3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.922 -10.393 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.745 -8.992 -5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.094 -12.281 -3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.502 -11.677 -3.769 1.00 0.00 H new ATOM 743 N ILE A 66 10.012 -7.170 -4.884 1.00 0.00 N ATOM 744 CA ILE A 66 9.347 -5.947 -5.376 1.00 0.00 C ATOM 745 C ILE A 66 10.028 -5.426 -6.655 1.00 0.00 C ATOM 746 O ILE A 66 9.352 -5.070 -7.621 1.00 0.00 O ATOM 747 CB ILE A 66 9.397 -4.820 -4.278 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.895 -5.348 -2.912 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.589 -3.577 -4.708 1.00 0.00 C ATOM 750 CD1 ILE A 66 9.132 -4.409 -1.745 1.00 0.00 C ATOM 0 H ILE A 66 10.316 -7.091 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 66 8.311 -6.200 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 66 10.439 -4.522 -4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.827 -5.551 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.386 -6.298 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.645 -2.819 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.003 -3.176 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.548 -3.857 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.749 -4.861 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.201 -4.224 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.617 -3.466 -1.927 1.00 0.00 H new ATOM 762 N LYS A 67 11.376 -5.392 -6.629 1.00 0.00 N ATOM 763 CA LYS A 67 12.214 -4.936 -7.760 1.00 0.00 C ATOM 764 C LYS A 67 12.000 -5.807 -9.029 1.00 0.00 C ATOM 765 O LYS A 67 11.990 -5.292 -10.155 1.00 0.00 O ATOM 766 CB LYS A 67 13.714 -4.932 -7.337 1.00 0.00 C ATOM 767 CG LYS A 67 14.272 -6.320 -6.925 1.00 0.00 C ATOM 768 CD LYS A 67 15.744 -6.275 -6.457 1.00 0.00 C ATOM 769 CE LYS A 67 16.287 -7.668 -6.081 1.00 0.00 C ATOM 770 NZ LYS A 67 17.714 -7.621 -5.677 1.00 0.00 N ATOM 0 H LYS A 67 11.919 -5.682 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 67 11.911 -3.921 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.310 -4.546 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.841 -4.242 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.656 -6.728 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.188 -7.003 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.361 -5.850 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.828 -5.611 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.693 -8.080 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.173 -8.342 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.037 -8.579 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.286 -7.253 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.821 -6.999 -4.851 1.00 0.00 H new ATOM 784 N ASN A 68 11.817 -7.127 -8.829 1.00 0.00 N ATOM 785 CA ASN A 68 11.589 -8.093 -9.927 1.00 0.00 C ATOM 786 C ASN A 68 10.170 -7.922 -10.510 1.00 0.00 C ATOM 787 O ASN A 68 9.952 -8.065 -11.717 1.00 0.00 O ATOM 788 CB ASN A 68 11.778 -9.549 -9.422 1.00 0.00 C ATOM 789 CG ASN A 68 11.724 -10.598 -10.539 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.224 -10.375 -11.645 1.00 0.00 O ATOM 791 ND2 ASN A 68 11.104 -11.738 -10.265 1.00 0.00 N ATOM 0 H ASN A 68 11.823 -7.555 -7.903 1.00 0.00 H new ATOM 0 HA ASN A 68 12.320 -7.895 -10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.737 -9.625 -8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.005 -9.773 -8.687 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.030 -12.463 -10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.702 -11.890 -9.340 1.00 0.00 H new ATOM 798 N VAL A 69 9.208 -7.622 -9.618 1.00 0.00 N ATOM 799 CA VAL A 69 7.836 -7.279 -10.021 1.00 0.00 C ATOM 800 C VAL A 69 7.841 -5.942 -10.790 1.00 0.00 C ATOM 801 O VAL A 69 7.141 -5.789 -11.770 1.00 0.00 O ATOM 802 CB VAL A 69 6.866 -7.175 -8.786 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.420 -6.824 -9.222 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.886 -8.471 -7.946 1.00 0.00 C ATOM 0 H VAL A 69 9.359 -7.611 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 69 7.470 -8.080 -10.663 1.00 0.00 H new ATOM 0 HB VAL A 69 7.230 -6.361 -8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.780 -6.761 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.419 -5.865 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.043 -7.599 -9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.206 -8.367 -7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.570 -9.311 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.896 -8.651 -7.579 1.00 0.00 H new ATOM 814 N ALA A 70 8.714 -5.016 -10.359 1.00 0.00 N ATOM 815 CA ALA A 70 8.783 -3.637 -10.887 1.00 0.00 C ATOM 816 C ALA A 70 9.266 -3.566 -12.354 1.00 0.00 C ATOM 817 O ALA A 70 9.091 -2.535 -13.013 1.00 0.00 O ATOM 818 CB ALA A 70 9.664 -2.776 -9.960 1.00 0.00 C ATOM 0 H ALA A 70 9.400 -5.203 -9.627 1.00 0.00 H new ATOM 0 HA ALA A 70 7.768 -3.239 -10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.716 -1.759 -10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.233 -2.761 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.668 -3.199 -9.916 1.00 0.00 H new ATOM 824 N LYS A 71 9.857 -4.646 -12.883 1.00 0.00 N ATOM 825 CA LYS A 71 10.304 -4.682 -14.294 1.00 0.00 C ATOM 826 C LYS A 71 9.237 -5.313 -15.221 1.00 0.00 C ATOM 827 O LYS A 71 9.254 -5.071 -16.435 1.00 0.00 O ATOM 828 CB LYS A 71 11.662 -5.417 -14.429 1.00 0.00 C ATOM 829 CG LYS A 71 11.625 -6.930 -14.146 1.00 0.00 C ATOM 830 CD LYS A 71 13.005 -7.610 -14.313 1.00 0.00 C ATOM 831 CE LYS A 71 13.592 -7.451 -15.731 1.00 0.00 C ATOM 832 NZ LYS A 71 14.916 -8.109 -15.867 1.00 0.00 N ATOM 0 H LYS A 71 10.039 -5.505 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 71 10.443 -3.650 -14.615 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.040 -5.263 -15.439 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.376 -4.954 -13.747 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.265 -7.095 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.909 -7.403 -14.819 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.701 -7.187 -13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.910 -8.671 -14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.900 -7.876 -16.458 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.689 -6.391 -15.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.272 -7.976 -16.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.585 -7.687 -15.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.820 -9.126 -15.669 1.00 0.00 H new ATOM 846 N THR A 72 8.294 -6.092 -14.647 1.00 0.00 N ATOM 847 CA THR A 72 7.258 -6.817 -15.423 1.00 0.00 C ATOM 848 C THR A 72 5.840 -6.255 -15.151 1.00 0.00 C ATOM 849 O THR A 72 4.897 -6.525 -15.902 1.00 0.00 O ATOM 850 CB THR A 72 7.304 -8.361 -15.111 1.00 0.00 C ATOM 851 OG1 THR A 72 6.335 -9.062 -15.906 1.00 0.00 O ATOM 852 CG2 THR A 72 7.046 -8.675 -13.625 1.00 0.00 C ATOM 0 H THR A 72 8.227 -6.237 -13.640 1.00 0.00 H new ATOM 0 HA THR A 72 7.479 -6.666 -16.480 1.00 0.00 H new ATOM 0 HB THR A 72 8.312 -8.694 -15.357 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.535 -8.506 -16.011 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.090 -9.753 -13.468 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.805 -8.188 -13.013 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.060 -8.307 -13.341 1.00 0.00 H new ATOM 860 N ALA A 73 5.710 -5.466 -14.080 1.00 0.00 N ATOM 861 CA ALA A 73 4.452 -4.824 -13.677 1.00 0.00 C ATOM 862 C ALA A 73 4.586 -3.323 -13.897 1.00 0.00 C ATOM 863 O ALA A 73 5.260 -2.630 -13.121 1.00 0.00 O ATOM 864 CB ALA A 73 4.102 -5.144 -12.210 1.00 0.00 C ATOM 0 H ALA A 73 6.489 -5.251 -13.457 1.00 0.00 H new ATOM 0 HA ALA A 73 3.634 -5.213 -14.284 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.166 -4.654 -11.944 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.994 -6.222 -12.088 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.898 -4.783 -11.559 1.00 0.00 H new ATOM 870 N ASN A 74 4.000 -2.831 -14.996 1.00 0.00 N ATOM 871 CA ASN A 74 3.991 -1.399 -15.304 1.00 0.00 C ATOM 872 C ASN A 74 3.041 -0.657 -14.355 1.00 0.00 C ATOM 873 O ASN A 74 2.156 -1.261 -13.740 1.00 0.00 O ATOM 874 CB ASN A 74 3.636 -1.138 -16.793 1.00 0.00 C ATOM 875 CG ASN A 74 2.219 -1.573 -17.198 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.699 -2.579 -16.718 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.587 -0.807 -18.080 1.00 0.00 N ATOM 0 H ASN A 74 3.524 -3.409 -15.689 1.00 0.00 H new ATOM 0 HA ASN A 74 4.997 -1.009 -15.149 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.748 -0.073 -16.998 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.356 -1.661 -17.422 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.642 -1.047 -18.379 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.047 0.021 -18.459 1.00 0.00 H new ATOM 884 N LYS A 75 3.231 0.658 -14.255 1.00 0.00 N ATOM 885 CA LYS A 75 2.510 1.511 -13.305 1.00 0.00 C ATOM 886 C LYS A 75 0.995 1.538 -13.598 1.00 0.00 C ATOM 887 O LYS A 75 0.189 1.592 -12.672 1.00 0.00 O ATOM 888 CB LYS A 75 3.131 2.918 -13.340 1.00 0.00 C ATOM 889 CG LYS A 75 2.418 3.970 -12.470 1.00 0.00 C ATOM 890 CD LYS A 75 3.226 5.277 -12.359 1.00 0.00 C ATOM 891 CE LYS A 75 4.501 5.115 -11.510 1.00 0.00 C ATOM 892 NZ LYS A 75 5.215 6.395 -11.351 1.00 0.00 N ATOM 0 H LYS A 75 3.896 1.168 -14.836 1.00 0.00 H new ATOM 0 HA LYS A 75 2.611 1.102 -12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.170 2.847 -13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.140 3.269 -14.372 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.437 4.186 -12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.251 3.562 -11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.500 5.616 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.598 6.052 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.237 4.721 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.161 4.386 -11.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.887 6.322 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.733 6.615 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.530 7.152 -11.154 1.00 0.00 H new ATOM 906 N ASP A 76 0.631 1.444 -14.890 1.00 0.00 N ATOM 907 CA ASP A 76 -0.782 1.432 -15.348 1.00 0.00 C ATOM 908 C ASP A 76 -1.531 0.197 -14.792 1.00 0.00 C ATOM 909 O ASP A 76 -2.729 0.260 -14.476 1.00 0.00 O ATOM 910 CB ASP A 76 -0.820 1.459 -16.902 1.00 0.00 C ATOM 911 CG ASP A 76 -2.233 1.647 -17.484 1.00 0.00 C ATOM 912 OD1 ASP A 76 -2.698 2.806 -17.584 1.00 0.00 O ATOM 913 OD2 ASP A 76 -2.888 0.640 -17.853 1.00 0.00 O ATOM 0 H ASP A 76 1.305 1.374 -15.652 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.290 2.318 -14.967 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.180 2.266 -17.258 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.401 0.528 -17.283 1.00 0.00 H new ATOM 918 N HIS A 77 -0.781 -0.915 -14.648 1.00 0.00 N ATOM 919 CA HIS A 77 -1.253 -2.171 -14.030 1.00 0.00 C ATOM 920 C HIS A 77 -1.434 -1.989 -12.509 1.00 0.00 C ATOM 921 O HIS A 77 -2.349 -2.569 -11.914 1.00 0.00 O ATOM 922 CB HIS A 77 -0.244 -3.319 -14.352 1.00 0.00 C ATOM 923 CG HIS A 77 -0.324 -4.519 -13.452 1.00 0.00 C ATOM 924 ND1 HIS A 77 -1.287 -5.487 -13.564 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.469 -4.895 -12.426 1.00 0.00 C ATOM 926 CE1 HIS A 77 -1.091 -6.398 -12.638 1.00 0.00 C ATOM 927 NE2 HIS A 77 -0.028 -6.066 -11.931 1.00 0.00 N ATOM 0 H HIS A 77 0.188 -0.966 -14.964 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.225 -2.438 -14.444 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.407 -3.645 -15.379 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.767 -2.915 -14.302 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.338 -4.366 -12.063 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.701 -7.276 -12.481 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.357 -6.594 -11.148 1.00 0.00 H new ATOM 936 N LEU A 78 -0.534 -1.208 -11.889 1.00 0.00 N ATOM 937 CA LEU A 78 -0.536 -0.974 -10.425 1.00 0.00 C ATOM 938 C LEU A 78 -1.711 -0.096 -9.998 1.00 0.00 C ATOM 939 O LEU A 78 -2.199 -0.230 -8.881 1.00 0.00 O ATOM 940 CB LEU A 78 0.778 -0.317 -9.974 1.00 0.00 C ATOM 941 CG LEU A 78 2.073 -1.060 -10.387 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.295 -0.334 -9.844 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.061 -2.534 -9.941 1.00 0.00 C ATOM 0 H LEU A 78 0.215 -0.720 -12.381 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.637 -1.948 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.816 0.694 -10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.764 -0.225 -8.888 1.00 0.00 H new ATOM 0 HG LEU A 78 2.121 -1.060 -11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.198 -0.868 -10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.324 0.679 -10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.240 -0.293 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.988 -3.016 -10.252 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.971 -2.585 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.215 -3.046 -10.399 1.00 0.00 H new ATOM 955 N VAL A 79 -2.128 0.817 -10.897 1.00 0.00 N ATOM 956 CA VAL A 79 -3.325 1.650 -10.710 1.00 0.00 C ATOM 957 C VAL A 79 -4.577 0.746 -10.672 1.00 0.00 C ATOM 958 O VAL A 79 -5.449 0.895 -9.804 1.00 0.00 O ATOM 959 CB VAL A 79 -3.468 2.724 -11.857 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.750 3.572 -11.673 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.206 3.623 -11.946 1.00 0.00 C ATOM 0 H VAL A 79 -1.640 0.996 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.226 2.186 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.559 2.189 -12.802 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.821 4.303 -12.478 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.624 2.921 -11.696 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.709 4.090 -10.715 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.335 4.353 -12.745 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.063 4.143 -10.999 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.333 3.005 -12.156 1.00 0.00 H new ATOM 971 N THR A 80 -4.616 -0.217 -11.611 1.00 0.00 N ATOM 972 CA THR A 80 -5.680 -1.233 -11.701 1.00 0.00 C ATOM 973 C THR A 80 -5.719 -2.106 -10.430 1.00 0.00 C ATOM 974 O THR A 80 -6.788 -2.361 -9.883 1.00 0.00 O ATOM 975 CB THR A 80 -5.482 -2.135 -12.968 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.311 -1.299 -14.121 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.664 -3.103 -13.202 1.00 0.00 C ATOM 0 H THR A 80 -3.904 -0.312 -12.335 1.00 0.00 H new ATOM 0 HA THR A 80 -6.632 -0.710 -11.790 1.00 0.00 H new ATOM 0 HB THR A 80 -4.595 -2.746 -12.799 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.403 -0.931 -14.126 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.473 -3.702 -14.092 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.773 -3.760 -12.339 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.581 -2.531 -13.340 1.00 0.00 H new ATOM 985 N ALA A 81 -4.537 -2.508 -9.940 1.00 0.00 N ATOM 986 CA ALA A 81 -4.407 -3.314 -8.714 1.00 0.00 C ATOM 987 C ALA A 81 -4.829 -2.505 -7.473 1.00 0.00 C ATOM 988 O ALA A 81 -5.527 -3.016 -6.592 1.00 0.00 O ATOM 989 CB ALA A 81 -2.961 -3.809 -8.569 1.00 0.00 C ATOM 0 H ALA A 81 -3.645 -2.285 -10.381 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.072 -4.174 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.870 -4.405 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.697 -4.420 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.288 -2.954 -8.511 1.00 0.00 H new ATOM 995 N TYR A 82 -4.439 -1.219 -7.464 1.00 0.00 N ATOM 996 CA TYR A 82 -4.652 -0.301 -6.333 1.00 0.00 C ATOM 997 C TYR A 82 -6.149 -0.101 -6.082 1.00 0.00 C ATOM 998 O TYR A 82 -6.649 -0.433 -5.016 1.00 0.00 O ATOM 999 CB TYR A 82 -3.967 1.049 -6.658 1.00 0.00 C ATOM 1000 CG TYR A 82 -3.917 2.073 -5.520 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -3.059 1.891 -4.436 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.682 3.243 -5.546 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -2.969 2.830 -3.441 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.566 4.192 -4.554 1.00 0.00 C ATOM 1005 CZ TYR A 82 -3.715 3.970 -3.499 1.00 0.00 C ATOM 1006 OH TYR A 82 -3.564 4.924 -2.520 1.00 0.00 O ATOM 0 H TYR A 82 -3.961 -0.783 -8.252 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.217 -0.723 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.946 0.846 -6.981 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.485 1.501 -7.503 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.456 0.997 -4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.376 3.406 -6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.303 2.666 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.141 5.105 -4.606 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.646 4.899 -2.177 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.862 0.356 -7.125 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.304 0.687 -7.042 1.00 0.00 C ATOM 1018 C ASN A 83 -9.145 -0.560 -6.702 1.00 0.00 C ATOM 1019 O ASN A 83 -10.065 -0.489 -5.878 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.794 1.350 -8.363 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.406 2.836 -8.465 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.171 3.715 -8.072 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.220 3.128 -8.978 1.00 0.00 N ATOM 0 H ASN A 83 -6.460 0.508 -8.050 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.438 1.405 -6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.374 0.811 -9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.878 1.257 -8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.923 4.101 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.604 2.380 -9.297 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.780 -1.703 -7.321 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.472 -2.999 -7.132 1.00 0.00 C ATOM 1032 C HIS A 84 -9.228 -3.584 -5.723 1.00 0.00 C ATOM 1033 O HIS A 84 -10.060 -4.355 -5.234 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.062 -4.019 -8.235 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.593 -3.693 -9.612 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -9.938 -4.658 -10.526 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.818 -2.506 -10.226 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -10.342 -4.081 -11.642 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.282 -2.777 -11.483 1.00 0.00 N ATOM 0 H HIS A 84 -7.994 -1.754 -7.969 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.541 -2.808 -7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.974 -4.069 -8.280 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.415 -5.009 -7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.660 -1.526 -9.800 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.667 -4.593 -12.535 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.540 -2.081 -12.183 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.096 -3.212 -5.079 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.748 -3.677 -3.711 1.00 0.00 C ATOM 1050 C LEU A 85 -8.865 -3.323 -2.714 1.00 0.00 C ATOM 1051 O LEU A 85 -9.415 -4.186 -2.011 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.423 -2.999 -3.239 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.912 -3.392 -1.817 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.640 -4.905 -1.716 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.684 -2.555 -1.390 1.00 0.00 C ATOM 0 H LEU A 85 -7.402 -2.586 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.624 -4.759 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.642 -3.236 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.564 -1.918 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.709 -3.158 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.286 -5.145 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.560 -5.454 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.882 -5.188 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.363 -2.862 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.871 -2.714 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.951 -1.498 -1.375 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.187 -2.028 -2.714 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.201 -1.421 -1.836 1.00 0.00 C ATOM 1069 C PHE A 86 -11.627 -1.807 -2.318 1.00 0.00 C ATOM 1070 O PHE A 86 -12.547 -1.980 -1.506 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.017 0.124 -1.827 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.555 0.592 -1.692 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.856 0.492 -0.489 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.884 1.142 -2.780 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.533 0.917 -0.400 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.577 1.565 -2.682 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.904 1.455 -1.493 1.00 0.00 C ATOM 0 H PHE A 86 -8.743 -1.353 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.076 -1.796 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.432 0.532 -2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.597 0.542 -1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.346 0.081 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.400 1.239 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.000 0.822 0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.081 1.985 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.881 1.791 -1.417 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.764 -1.975 -3.654 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.053 -2.226 -4.347 1.00 0.00 C ATOM 1089 C GLU A 87 -13.633 -3.624 -4.020 1.00 0.00 C ATOM 1090 O GLU A 87 -14.849 -3.840 -4.122 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.839 -2.092 -5.885 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.114 -2.163 -6.749 1.00 0.00 C ATOM 1093 CD GLU A 87 -15.081 -0.983 -6.530 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -14.891 0.082 -7.162 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.047 -1.112 -5.737 1.00 0.00 O ATOM 0 H GLU A 87 -10.970 -1.940 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.773 -1.487 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.342 -1.142 -6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.160 -2.881 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.828 -2.196 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.637 -3.094 -6.532 1.00 0.00 H new ATOM 1102 N THR A 88 -12.770 -4.569 -3.610 1.00 0.00 N ATOM 1103 CA THR A 88 -13.183 -5.953 -3.255 1.00 0.00 C ATOM 1104 C THR A 88 -12.653 -6.373 -1.868 1.00 0.00 C ATOM 1105 O THR A 88 -12.835 -7.530 -1.463 1.00 0.00 O ATOM 1106 CB THR A 88 -12.699 -6.969 -4.343 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.319 -6.726 -4.630 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.502 -6.871 -5.653 1.00 0.00 C ATOM 0 H THR A 88 -11.768 -4.404 -3.513 1.00 0.00 H new ATOM 0 HA THR A 88 -14.272 -5.964 -3.214 1.00 0.00 H new ATOM 0 HB THR A 88 -12.851 -7.970 -3.939 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.208 -5.805 -4.947 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.121 -7.599 -6.369 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.553 -7.076 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.401 -5.868 -6.067 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.011 -5.418 -1.156 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.514 -5.606 0.233 1.00 0.00 C ATOM 1118 C LYS A 89 -10.461 -6.753 0.323 1.00 0.00 C ATOM 1119 O LYS A 89 -10.293 -7.372 1.378 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.710 -5.859 1.208 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.848 -4.811 1.155 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.415 -3.385 1.560 1.00 0.00 C ATOM 1123 CE LYS A 89 -12.972 -3.287 3.031 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.037 -3.678 3.993 1.00 0.00 N ATOM 0 H LYS A 89 -11.820 -4.488 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.009 -4.688 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.133 -6.840 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.323 -5.898 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.253 -4.782 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.655 -5.134 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.596 -3.064 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.243 -2.697 1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.101 -3.925 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.659 -2.264 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.719 -3.478 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.901 -3.135 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.236 -4.694 3.896 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.716 -6.957 -0.786 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.791 -8.116 -0.982 1.00 0.00 C ATOM 1140 C ARG A 90 -7.571 -8.121 -0.045 1.00 0.00 C ATOM 1141 O ARG A 90 -6.816 -9.105 -0.008 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.300 -8.159 -2.461 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.254 -8.867 -3.432 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.714 -8.877 -4.868 1.00 0.00 C ATOM 1145 NE ARG A 90 -9.484 -9.788 -5.734 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.337 -9.418 -6.701 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -10.596 -8.139 -6.932 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -10.932 -10.339 -7.432 1.00 0.00 N ATOM 0 H ARG A 90 -9.734 -6.321 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.374 -9.003 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.143 -7.138 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.332 -8.659 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.415 -9.892 -3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.224 -8.370 -3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.751 -7.868 -5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.667 -9.180 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.357 -10.789 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.144 -7.418 -6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.247 -7.876 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.743 -11.327 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.582 -10.064 -8.169 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.352 -7.015 0.650 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.271 -6.892 1.632 1.00 0.00 C ATOM 1164 C PHE A 91 -6.494 -7.783 2.868 1.00 0.00 C ATOM 1165 O PHE A 91 -7.612 -7.898 3.379 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.047 -5.413 2.019 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.306 -4.597 2.314 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -7.896 -4.596 3.577 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.869 -3.792 1.328 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.006 -3.815 3.838 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -8.969 -3.009 1.587 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.539 -3.020 2.841 1.00 0.00 C ATOM 0 H PHE A 91 -7.917 -6.172 0.553 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.359 -7.256 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.404 -5.382 2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.504 -4.925 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.481 -5.213 4.361 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.433 -3.782 0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.456 -3.826 4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.385 -2.387 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.404 -2.406 3.045 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.392 -8.407 3.310 1.00 0.00 N ATOM 1183 CA LYS A 92 -5.343 -9.327 4.450 1.00 0.00 C ATOM 1184 C LYS A 92 -5.645 -8.551 5.760 1.00 0.00 C ATOM 1185 O LYS A 92 -4.836 -7.680 6.135 1.00 0.00 O ATOM 1186 CB LYS A 92 -3.930 -10.017 4.498 1.00 0.00 C ATOM 1187 CG LYS A 92 -3.890 -11.458 5.068 1.00 0.00 C ATOM 1188 CD LYS A 92 -4.331 -11.564 6.544 1.00 0.00 C ATOM 1189 CE LYS A 92 -4.297 -13.004 7.078 1.00 0.00 C ATOM 1190 NZ LYS A 92 -2.922 -13.571 7.048 1.00 0.00 N ATOM 1191 OXT LYS A 92 -6.675 -8.834 6.412 1.00 0.00 O ATOM 0 H LYS A 92 -4.482 -8.279 2.867 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.099 -10.104 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.524 -10.038 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.265 -9.394 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.533 -12.095 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.876 -11.846 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.682 -10.939 7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.342 -11.169 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.676 -13.022 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.961 -13.629 6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.914 -14.488 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.623 -13.703 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.267 -12.918 7.524 1.00 0.00 H new