USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HE2:sc= -2.22! C(o=-3.3!,f=-4.6!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -1.12 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.551 (180deg=-1) USER MOD Single : A 27 ASN :FLIP amide:sc= -6.89! C(o=-7.7!,f=-6.9!) USER MOD Single : A 28 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= -0.76 (180deg=-2.73!) 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 48 HIS : no HD1:sc= -0.009 X(o=-0.009,f=0) USER MOD Single : A 49 SER OG : rot -62:sc= 0.168 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.81 USER MOD Single : A 58 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.44) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= -0.501 (180deg=-0.564) USER MOD Single : A 67 TYR OH : rot -95:sc= 0.644 USER MOD Single : A 74 HIS : no HE2:sc= 0.0229! C(o=0.023!,f=-5.3!) USER MOD Single : A 76 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.085) USER MOD Single : A 79 HIS : no HE2:sc= -6.33! C(o=-6.3!,f=-7.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -5.338 17.761 -3.165 1.00 0.00 N ATOM 90 CA ASP A 10 -5.334 16.965 -4.387 1.00 0.00 C ATOM 91 C ASP A 10 -5.198 15.480 -4.068 1.00 0.00 C ATOM 92 O ASP A 10 -4.181 14.860 -4.376 1.00 0.00 O ATOM 93 CB ASP A 10 -4.195 17.409 -5.306 1.00 0.00 C ATOM 94 CG ASP A 10 -3.006 17.947 -4.535 1.00 0.00 C ATOM 95 OD1 ASP A 10 -2.778 17.487 -3.397 1.00 0.00 O ATOM 96 OD2 ASP A 10 -2.302 18.829 -5.071 1.00 0.00 O ATOM 0 HA ASP A 10 -6.284 17.122 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.876 16.565 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.560 18.177 -5.988 1.00 0.00 H new ATOM 101 N ALA A 11 -6.230 14.916 -3.449 1.00 0.00 N ATOM 102 CA ALA A 11 -6.226 13.503 -3.089 1.00 0.00 C ATOM 103 C ALA A 11 -6.859 12.655 -4.187 1.00 0.00 C ATOM 104 O ALA A 11 -6.320 11.618 -4.572 1.00 0.00 O ATOM 105 CB ALA A 11 -6.954 13.292 -1.770 1.00 0.00 C ATOM 0 H ALA A 11 -7.079 15.416 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.190 13.186 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.943 12.233 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.456 13.860 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.985 13.632 -1.865 1.00 0.00 H new ATOM 111 N ARG A 12 -8.006 13.104 -4.687 1.00 0.00 N ATOM 112 CA ARG A 12 -8.714 12.384 -5.739 1.00 0.00 C ATOM 113 C ARG A 12 -7.858 12.282 -6.998 1.00 0.00 C ATOM 114 O ARG A 12 -8.157 11.503 -7.903 1.00 0.00 O ATOM 115 CB ARG A 12 -10.036 13.083 -6.064 1.00 0.00 C ATOM 116 CG ARG A 12 -11.122 12.842 -5.029 1.00 0.00 C ATOM 117 CD ARG A 12 -12.449 13.445 -5.462 1.00 0.00 C ATOM 118 NE ARG A 12 -12.562 14.851 -5.081 1.00 0.00 N ATOM 119 CZ ARG A 12 -12.081 15.851 -5.811 1.00 0.00 C ATOM 120 NH1 ARG A 12 -11.459 15.602 -6.955 1.00 0.00 N ATOM 121 NH2 ARG A 12 -12.223 17.104 -5.397 1.00 0.00 N ATOM 0 H ARG A 12 -8.464 13.962 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.922 11.377 -5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.859 14.155 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.390 12.740 -7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.243 11.770 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.819 13.274 -4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.553 13.353 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.267 12.881 -5.014 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.036 15.077 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.349 14.640 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.091 16.372 -7.513 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.702 17.299 -4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.853 17.871 -5.958 1.00 0.00 H new ATOM 135 N ARG A 13 -6.792 13.075 -7.049 1.00 0.00 N ATOM 136 CA ARG A 13 -5.894 13.075 -8.197 1.00 0.00 C ATOM 137 C ARG A 13 -4.677 12.192 -7.935 1.00 0.00 C ATOM 138 O ARG A 13 -3.537 12.608 -8.149 1.00 0.00 O ATOM 139 CB ARG A 13 -5.443 14.501 -8.519 1.00 0.00 C ATOM 140 CG ARG A 13 -6.503 15.329 -9.226 1.00 0.00 C ATOM 141 CD ARG A 13 -7.657 15.669 -8.296 1.00 0.00 C ATOM 142 NE ARG A 13 -8.289 16.938 -8.647 1.00 0.00 N ATOM 143 CZ ARG A 13 -7.697 18.118 -8.503 1.00 0.00 C ATOM 144 NH1 ARG A 13 -6.466 18.191 -8.016 1.00 0.00 N ATOM 145 NH2 ARG A 13 -8.336 19.229 -8.845 1.00 0.00 N ATOM 0 H ARG A 13 -6.530 13.725 -6.308 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.437 12.672 -9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.161 15.002 -7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.551 14.459 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.056 16.248 -9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.880 14.780 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.400 14.872 -8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.293 15.717 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.237 16.917 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.971 17.339 -7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.014 19.099 -7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.283 19.178 -9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.880 20.135 -8.734 1.00 0.00 H new ATOM 159 N LEU A 14 -4.926 10.973 -7.471 1.00 0.00 N ATOM 160 CA LEU A 14 -3.851 10.031 -7.179 1.00 0.00 C ATOM 161 C LEU A 14 -4.215 8.626 -7.649 1.00 0.00 C ATOM 162 O LEU A 14 -5.262 8.089 -7.286 1.00 0.00 O ATOM 163 CB LEU A 14 -3.551 10.017 -5.679 1.00 0.00 C ATOM 164 CG LEU A 14 -2.496 11.013 -5.197 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.093 12.406 -5.073 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.907 10.563 -3.868 1.00 0.00 C ATOM 0 H LEU A 14 -5.863 10.613 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.961 10.356 -7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.479 10.212 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.228 9.013 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.694 11.049 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.327 13.101 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.466 12.730 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.914 12.387 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.158 11.283 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.699 10.498 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.441 9.585 -3.989 1.00 0.00 H new ATOM 178 N THR A 15 -3.343 8.034 -8.459 1.00 0.00 N ATOM 179 CA THR A 15 -3.572 6.691 -8.978 1.00 0.00 C ATOM 180 C THR A 15 -2.633 5.682 -8.327 1.00 0.00 C ATOM 181 O THR A 15 -1.468 5.983 -8.063 1.00 0.00 O ATOM 182 CB THR A 15 -3.382 6.640 -10.506 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.051 7.747 -11.120 1.00 0.00 O ATOM 184 CG2 THR A 15 -3.921 5.336 -11.075 1.00 0.00 C ATOM 0 H THR A 15 -2.472 8.463 -8.770 1.00 0.00 H new ATOM 0 HA THR A 15 -4.603 6.431 -8.738 1.00 0.00 H new ATOM 0 HB THR A 15 -2.315 6.697 -10.719 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.924 7.708 -12.091 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.776 5.323 -12.155 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.389 4.496 -10.627 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.984 5.253 -10.851 1.00 0.00 H new ATOM 192 N VAL A 16 -3.146 4.483 -8.069 1.00 0.00 N ATOM 193 CA VAL A 16 -2.352 3.429 -7.450 1.00 0.00 C ATOM 194 C VAL A 16 -1.919 2.391 -8.479 1.00 0.00 C ATOM 195 O VAL A 16 -2.733 1.900 -9.260 1.00 0.00 O ATOM 196 CB VAL A 16 -3.134 2.725 -6.325 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.352 1.533 -5.796 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.452 3.704 -5.205 1.00 0.00 C ATOM 0 H VAL A 16 -4.108 4.218 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.469 3.906 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.075 2.358 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.920 1.048 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.180 0.823 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.394 1.872 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.005 3.190 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.524 4.102 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.056 4.522 -5.597 1.00 0.00 H new ATOM 208 N MET A 17 -0.632 2.061 -8.473 1.00 0.00 N ATOM 209 CA MET A 17 -0.090 1.079 -9.405 1.00 0.00 C ATOM 210 C MET A 17 0.568 -0.076 -8.657 1.00 0.00 C ATOM 211 O MET A 17 0.700 -0.040 -7.434 1.00 0.00 O ATOM 212 CB MET A 17 0.923 1.739 -10.342 1.00 0.00 C ATOM 213 CG MET A 17 0.289 2.652 -11.379 1.00 0.00 C ATOM 214 SD MET A 17 -0.737 1.754 -12.560 1.00 0.00 S ATOM 215 CE MET A 17 -1.341 3.101 -13.575 1.00 0.00 C ATOM 0 H MET A 17 0.055 2.459 -7.833 1.00 0.00 H new ATOM 0 HA MET A 17 -0.915 0.682 -9.996 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.633 2.315 -9.748 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.492 0.962 -10.853 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.318 3.403 -10.874 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.073 3.185 -11.916 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.992 2.706 -14.354 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.901 3.801 -12.955 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.498 3.617 -14.034 1.00 0.00 H new ATOM 225 N SER A 18 0.978 -1.099 -9.400 1.00 0.00 N ATOM 226 CA SER A 18 1.618 -2.267 -8.806 1.00 0.00 C ATOM 227 C SER A 18 0.811 -2.784 -7.619 1.00 0.00 C ATOM 228 O SER A 18 1.370 -3.146 -6.583 1.00 0.00 O ATOM 229 CB SER A 18 3.040 -1.922 -8.358 1.00 0.00 C ATOM 230 OG SER A 18 3.952 -2.020 -9.439 1.00 0.00 O ATOM 0 H SER A 18 0.878 -1.143 -10.414 1.00 0.00 H new ATOM 0 HA SER A 18 1.662 -3.051 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.061 -0.911 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.346 -2.595 -7.557 1.00 0.00 H new ATOM 0 HG SER A 18 4.853 -1.793 -9.128 1.00 0.00 H new ATOM 236 N LEU A 19 -0.508 -2.817 -7.778 1.00 0.00 N ATOM 237 CA LEU A 19 -1.394 -3.290 -6.720 1.00 0.00 C ATOM 238 C LEU A 19 -2.020 -4.630 -7.094 1.00 0.00 C ATOM 239 O LEU A 19 -2.436 -4.835 -8.234 1.00 0.00 O ATOM 240 CB LEU A 19 -2.491 -2.259 -6.448 1.00 0.00 C ATOM 241 CG LEU A 19 -3.154 -2.332 -5.072 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.283 -1.657 -4.024 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.535 -1.694 -5.112 1.00 0.00 C ATOM 0 H LEU A 19 -0.987 -2.522 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.801 -3.427 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.065 -1.263 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.264 -2.371 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.268 -3.381 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.771 -1.719 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.316 -2.158 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.137 -0.610 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.993 -1.755 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.444 -0.648 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.159 -2.221 -5.834 1.00 0.00 H new ATOM 255 N GLN A 20 -2.087 -5.537 -6.124 1.00 0.00 N ATOM 256 CA GLN A 20 -2.664 -6.856 -6.352 1.00 0.00 C ATOM 257 C GLN A 20 -4.080 -6.935 -5.792 1.00 0.00 C ATOM 258 O GLN A 20 -4.433 -6.202 -4.868 1.00 0.00 O ATOM 259 CB GLN A 20 -1.789 -7.936 -5.712 1.00 0.00 C ATOM 260 CG GLN A 20 -1.851 -9.274 -6.432 1.00 0.00 C ATOM 261 CD GLN A 20 -0.930 -9.332 -7.635 1.00 0.00 C ATOM 262 OE1 GLN A 20 -1.314 -8.959 -8.743 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.294 -9.802 -7.422 1.00 0.00 N ATOM 0 H GLN A 20 -1.749 -5.382 -5.174 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.709 -7.024 -7.428 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.755 -7.591 -5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.098 -8.075 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.584 -10.070 -5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.875 -9.462 -6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.570 -10.100 -6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.958 -9.865 -8.194 1.00 0.00 H new ATOM 272 N GLU A 21 -4.887 -7.827 -6.357 1.00 0.00 N ATOM 273 CA GLU A 21 -6.265 -7.999 -5.914 1.00 0.00 C ATOM 274 C GLU A 21 -6.418 -9.278 -5.096 1.00 0.00 C ATOM 275 O GLU A 21 -6.612 -9.232 -3.882 1.00 0.00 O ATOM 276 CB GLU A 21 -7.211 -8.034 -7.117 1.00 0.00 C ATOM 277 CG GLU A 21 -7.637 -6.656 -7.596 1.00 0.00 C ATOM 278 CD GLU A 21 -8.106 -6.659 -9.038 1.00 0.00 C ATOM 279 OE1 GLU A 21 -9.188 -7.219 -9.310 1.00 0.00 O ATOM 280 OE2 GLU A 21 -7.389 -6.101 -9.895 1.00 0.00 O ATOM 0 H GLU A 21 -4.610 -8.442 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.524 -7.150 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.723 -8.560 -7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.099 -8.609 -6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.439 -6.285 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.801 -5.964 -7.491 1.00 0.00 H new ATOM 287 N SER A 22 -6.330 -10.420 -5.772 1.00 0.00 N ATOM 288 CA SER A 22 -6.463 -11.712 -5.110 1.00 0.00 C ATOM 289 C SER A 22 -5.269 -12.609 -5.424 1.00 0.00 C ATOM 290 O SER A 22 -5.399 -13.830 -5.499 1.00 0.00 O ATOM 291 CB SER A 22 -7.760 -12.399 -5.541 1.00 0.00 C ATOM 292 OG SER A 22 -7.961 -12.276 -6.939 1.00 0.00 O ATOM 0 H SER A 22 -6.167 -10.476 -6.777 1.00 0.00 H new ATOM 0 HA SER A 22 -6.492 -11.540 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.726 -13.453 -5.267 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.603 -11.958 -5.009 1.00 0.00 H new ATOM 0 HG SER A 22 -8.795 -12.724 -7.190 1.00 0.00 H new ATOM 298 N GLY A 23 -4.106 -11.992 -5.609 1.00 0.00 N ATOM 299 CA GLY A 23 -2.905 -12.749 -5.914 1.00 0.00 C ATOM 300 C GLY A 23 -1.787 -12.486 -4.925 1.00 0.00 C ATOM 301 O GLY A 23 -0.626 -12.796 -5.192 1.00 0.00 O ATOM 0 H GLY A 23 -3.974 -10.982 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.141 -13.813 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.565 -12.496 -6.918 1.00 0.00 H new ATOM 305 N LEU A 24 -2.136 -11.911 -3.779 1.00 0.00 N ATOM 306 CA LEU A 24 -1.153 -11.604 -2.746 1.00 0.00 C ATOM 307 C LEU A 24 -0.509 -12.879 -2.212 1.00 0.00 C ATOM 308 O LEU A 24 -1.061 -13.971 -2.347 1.00 0.00 O ATOM 309 CB LEU A 24 -1.811 -10.833 -1.600 1.00 0.00 C ATOM 310 CG LEU A 24 -1.844 -9.312 -1.746 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.299 -8.661 -0.450 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.476 -8.786 -2.158 1.00 0.00 C ATOM 0 H LEU A 24 -3.093 -11.648 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.375 -10.985 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.835 -11.190 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.287 -11.078 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.560 -9.057 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.316 -7.578 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.299 -9.013 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.608 -8.924 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.518 -7.701 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.260 -9.053 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.189 -9.227 -3.113 1.00 0.00 H new ATOM 324 N LYS A 25 0.663 -12.734 -1.603 1.00 0.00 N ATOM 325 CA LYS A 25 1.383 -13.872 -1.045 1.00 0.00 C ATOM 326 C LYS A 25 1.657 -13.667 0.441 1.00 0.00 C ATOM 327 O LYS A 25 2.143 -12.613 0.854 1.00 0.00 O ATOM 328 CB LYS A 25 2.701 -14.085 -1.793 1.00 0.00 C ATOM 329 CG LYS A 25 2.526 -14.692 -3.174 1.00 0.00 C ATOM 330 CD LYS A 25 3.807 -15.347 -3.662 1.00 0.00 C ATOM 331 CE LYS A 25 3.896 -16.799 -3.218 1.00 0.00 C ATOM 332 NZ LYS A 25 4.571 -16.935 -1.898 1.00 0.00 N ATOM 0 H LYS A 25 1.135 -11.838 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 25 0.759 -14.758 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.214 -13.128 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.345 -14.734 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.725 -15.431 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.222 -13.917 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.852 -15.295 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.667 -14.796 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.893 -17.223 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.441 -17.375 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.870 -17.922 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.404 -16.313 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.911 -16.665 -1.141 1.00 0.00 H new ATOM 346 N VAL A 26 1.344 -14.681 1.242 1.00 0.00 N ATOM 347 CA VAL A 26 1.559 -14.612 2.682 1.00 0.00 C ATOM 348 C VAL A 26 3.037 -14.765 3.025 1.00 0.00 C ATOM 349 O VAL A 26 3.808 -15.331 2.252 1.00 0.00 O ATOM 350 CB VAL A 26 0.757 -15.699 3.422 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.735 -15.507 3.196 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.199 -17.084 2.975 1.00 0.00 C ATOM 0 H VAL A 26 0.941 -15.560 0.918 1.00 0.00 H new ATOM 0 HA VAL A 26 1.213 -13.631 3.007 1.00 0.00 H new ATOM 0 HB VAL A 26 0.953 -15.608 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.286 -16.284 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.037 -14.529 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.953 -15.571 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.622 -17.840 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.034 -17.190 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.259 -17.216 3.193 1.00 0.00 H new ATOM 362 N ASN A 27 3.424 -14.257 4.191 1.00 0.00 N ATOM 363 CA ASN A 27 4.810 -14.338 4.637 1.00 0.00 C ATOM 364 C ASN A 27 5.766 -13.928 3.520 1.00 0.00 C ATOM 365 O ASN A 27 6.808 -14.553 3.322 1.00 0.00 O ATOM 366 CB ASN A 27 5.135 -15.757 5.107 1.00 0.00 C ATOM 367 CG ASN A 27 5.033 -16.774 3.987 1.00 0.00 C ATOM 368 OD1 ASN A 27 4.204 -17.792 4.186 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 5.692 -16.646 2.955 1.00 0.00 N flip ATOM 0 H ASN A 27 2.798 -13.785 4.843 1.00 0.00 H new ATOM 0 HA ASN A 27 4.938 -13.649 5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.143 -15.778 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.453 -16.036 5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.317 -15.847 2.845 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.613 -17.338 2.210 1.00 0.00 H new ATOM 376 N GLN A 28 5.403 -12.876 2.794 1.00 0.00 N ATOM 377 CA GLN A 28 6.228 -12.384 1.698 1.00 0.00 C ATOM 378 C GLN A 28 6.086 -10.873 1.545 1.00 0.00 C ATOM 379 O GLN A 28 4.999 -10.310 1.677 1.00 0.00 O ATOM 380 CB GLN A 28 5.843 -13.078 0.390 1.00 0.00 C ATOM 381 CG GLN A 28 6.568 -14.395 0.164 1.00 0.00 C ATOM 382 CD GLN A 28 8.058 -14.213 -0.045 1.00 0.00 C ATOM 383 OE1 GLN A 28 8.805 -13.971 0.903 1.00 0.00 O ATOM 384 NE2 GLN A 28 8.499 -14.328 -1.292 1.00 0.00 N ATOM 0 H GLN A 28 4.543 -12.348 2.945 1.00 0.00 H new ATOM 0 HA GLN A 28 7.268 -12.612 1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.768 -13.259 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.055 -12.408 -0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.402 -15.048 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.142 -14.895 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.844 -14.529 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.492 -14.215 -1.494 1.00 0.00 H new ATOM 393 N PRO A 29 7.211 -10.198 1.261 1.00 0.00 N ATOM 394 CA PRO A 29 7.238 -8.743 1.085 1.00 0.00 C ATOM 395 C PRO A 29 6.533 -8.301 -0.193 1.00 0.00 C ATOM 396 O PRO A 29 6.917 -8.696 -1.293 1.00 0.00 O ATOM 397 CB PRO A 29 8.732 -8.423 1.010 1.00 0.00 C ATOM 398 CG PRO A 29 9.366 -9.681 0.524 1.00 0.00 C ATOM 399 CD PRO A 29 8.542 -10.804 1.090 1.00 0.00 C ATOM 0 HA PRO A 29 6.717 -8.225 1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.925 -7.594 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.124 -8.133 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.378 -9.716 -0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.402 -9.750 0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.510 -11.659 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.946 -11.161 2.037 1.00 0.00 H new ATOM 407 N ALA A 30 5.500 -7.479 -0.040 1.00 0.00 N ATOM 408 CA ALA A 30 4.744 -6.981 -1.182 1.00 0.00 C ATOM 409 C ALA A 30 4.575 -5.467 -1.111 1.00 0.00 C ATOM 410 O ALA A 30 3.862 -4.952 -0.250 1.00 0.00 O ATOM 411 CB ALA A 30 3.385 -7.663 -1.253 1.00 0.00 C ATOM 0 H ALA A 30 5.168 -7.144 0.864 1.00 0.00 H new ATOM 0 HA ALA A 30 5.304 -7.215 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.831 -7.282 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.523 -8.739 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.827 -7.457 -0.340 1.00 0.00 H new ATOM 417 N SER A 31 5.237 -4.760 -2.022 1.00 0.00 N ATOM 418 CA SER A 31 5.163 -3.304 -2.059 1.00 0.00 C ATOM 419 C SER A 31 4.432 -2.829 -3.311 1.00 0.00 C ATOM 420 O SER A 31 4.299 -3.570 -4.285 1.00 0.00 O ATOM 421 CB SER A 31 6.568 -2.700 -2.016 1.00 0.00 C ATOM 422 OG SER A 31 7.391 -3.250 -3.030 1.00 0.00 O ATOM 0 H SER A 31 5.830 -5.171 -2.743 1.00 0.00 H new ATOM 0 HA SER A 31 4.604 -2.971 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.506 -1.619 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.017 -2.884 -1.040 1.00 0.00 H new ATOM 0 HG SER A 31 8.283 -2.846 -2.982 1.00 0.00 H new ATOM 428 N PHE A 32 3.958 -1.588 -3.277 1.00 0.00 N ATOM 429 CA PHE A 32 3.239 -1.013 -4.408 1.00 0.00 C ATOM 430 C PHE A 32 3.732 0.400 -4.704 1.00 0.00 C ATOM 431 O PHE A 32 4.405 1.020 -3.881 1.00 0.00 O ATOM 432 CB PHE A 32 1.735 -0.991 -4.125 1.00 0.00 C ATOM 433 CG PHE A 32 1.374 -0.275 -2.855 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.331 1.109 -2.813 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.079 -0.986 -1.703 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.999 1.772 -1.646 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.746 -0.329 -0.533 1.00 0.00 C ATOM 438 CZ PHE A 32 0.707 1.051 -0.504 1.00 0.00 C ATOM 0 H PHE A 32 4.059 -0.961 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 32 3.429 -1.636 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.223 -0.513 -4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.369 -2.016 -4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.560 1.677 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.110 -2.065 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.968 2.851 -1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.516 -0.895 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.449 1.566 0.410 1.00 0.00 H new ATOM 448 N ALA A 33 3.393 0.903 -5.887 1.00 0.00 N ATOM 449 CA ALA A 33 3.799 2.243 -6.293 1.00 0.00 C ATOM 450 C ALA A 33 2.594 3.169 -6.413 1.00 0.00 C ATOM 451 O ALA A 33 1.532 2.763 -6.886 1.00 0.00 O ATOM 452 CB ALA A 33 4.559 2.187 -7.610 1.00 0.00 C ATOM 0 H ALA A 33 2.838 0.402 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 33 4.457 2.646 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.856 3.194 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.447 1.567 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.919 1.760 -8.382 1.00 0.00 H new ATOM 458 N ILE A 34 2.766 4.414 -5.982 1.00 0.00 N ATOM 459 CA ILE A 34 1.691 5.398 -6.043 1.00 0.00 C ATOM 460 C ILE A 34 1.988 6.472 -7.084 1.00 0.00 C ATOM 461 O ILE A 34 2.988 7.183 -6.990 1.00 0.00 O ATOM 462 CB ILE A 34 1.467 6.071 -4.676 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.224 5.015 -3.596 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.297 7.041 -4.749 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.405 5.537 -2.188 1.00 0.00 C ATOM 0 H ILE A 34 3.638 4.765 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 34 0.786 4.861 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 34 2.364 6.632 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.212 4.624 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.906 4.180 -3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.151 7.509 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.507 7.809 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.607 6.501 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.217 4.734 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.425 5.901 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.704 6.352 -2.009 1.00 0.00 H new ATOM 477 N ARG A 35 1.110 6.586 -8.075 1.00 0.00 N ATOM 478 CA ARG A 35 1.277 7.574 -9.134 1.00 0.00 C ATOM 479 C ARG A 35 0.668 8.913 -8.729 1.00 0.00 C ATOM 480 O ARG A 35 -0.414 8.963 -8.142 1.00 0.00 O ATOM 481 CB ARG A 35 0.631 7.079 -10.429 1.00 0.00 C ATOM 482 CG ARG A 35 0.163 8.199 -11.344 1.00 0.00 C ATOM 483 CD ARG A 35 0.225 7.787 -12.806 1.00 0.00 C ATOM 484 NE ARG A 35 1.597 7.559 -13.253 1.00 0.00 N ATOM 485 CZ ARG A 35 1.917 7.207 -14.493 1.00 0.00 C ATOM 486 NH1 ARG A 35 0.969 7.044 -15.405 1.00 0.00 N ATOM 487 NH2 ARG A 35 3.188 7.018 -14.823 1.00 0.00 N ATOM 0 H ARG A 35 0.276 6.006 -8.167 1.00 0.00 H new ATOM 0 HA ARG A 35 2.345 7.715 -9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.346 6.457 -10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.220 6.445 -10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.859 8.478 -11.086 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.783 9.082 -11.187 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.359 6.878 -12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.232 8.562 -13.421 1.00 0.00 H new ATOM 0 HE ARG A 35 2.350 7.677 -12.576 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.009 7.189 -15.155 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.218 6.774 -16.357 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.920 7.143 -14.124 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.433 6.748 -15.776 1.00 0.00 H new ATOM 501 N LEU A 36 1.369 9.996 -9.046 1.00 0.00 N ATOM 502 CA LEU A 36 0.898 11.336 -8.715 1.00 0.00 C ATOM 503 C LEU A 36 0.615 12.142 -9.979 1.00 0.00 C ATOM 504 O LEU A 36 1.507 12.365 -10.796 1.00 0.00 O ATOM 505 CB LEU A 36 1.932 12.063 -7.853 1.00 0.00 C ATOM 506 CG LEU A 36 2.315 11.377 -6.542 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.516 12.064 -5.911 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.136 11.371 -5.580 1.00 0.00 C ATOM 0 H LEU A 36 2.266 9.972 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.031 11.239 -8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.837 12.201 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.548 13.056 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 36 2.586 10.344 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.774 11.562 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.363 12.017 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.273 13.107 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.426 10.879 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.834 12.397 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.302 10.833 -6.030 1.00 0.00 H new ATOM 520 N ASN A 37 -0.632 12.576 -10.130 1.00 0.00 N ATOM 521 CA ASN A 37 -1.032 13.359 -11.294 1.00 0.00 C ATOM 522 C ASN A 37 -0.728 14.839 -11.085 1.00 0.00 C ATOM 523 O ASN A 37 -1.262 15.699 -11.785 1.00 0.00 O ATOM 524 CB ASN A 37 -2.524 13.168 -11.575 1.00 0.00 C ATOM 525 CG ASN A 37 -2.816 11.858 -12.280 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.895 11.804 -13.507 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.980 10.792 -11.504 1.00 0.00 N ATOM 0 H ASN A 37 -1.382 12.399 -9.462 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.459 13.006 -12.152 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.075 13.203 -10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.885 13.995 -12.187 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.180 9.883 -11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.906 10.883 -10.491 1.00 0.00 H new ATOM 534 N GLY A 38 0.136 15.129 -10.116 1.00 0.00 N ATOM 535 CA GLY A 38 0.497 16.506 -9.832 1.00 0.00 C ATOM 536 C GLY A 38 0.009 16.965 -8.472 1.00 0.00 C ATOM 537 O GLY A 38 -0.350 18.128 -8.294 1.00 0.00 O ATOM 0 H GLY A 38 0.592 14.435 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.581 16.612 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.079 17.154 -10.602 1.00 0.00 H new ATOM 541 N ALA A 39 -0.006 16.047 -7.510 1.00 0.00 N ATOM 542 CA ALA A 39 -0.453 16.364 -6.159 1.00 0.00 C ATOM 543 C ALA A 39 0.723 16.412 -5.189 1.00 0.00 C ATOM 544 O ALA A 39 1.858 16.110 -5.557 1.00 0.00 O ATOM 545 CB ALA A 39 -1.483 15.346 -5.693 1.00 0.00 C ATOM 0 H ALA A 39 0.286 15.079 -7.642 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.915 17.351 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.809 15.594 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.341 15.363 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.038 14.351 -5.697 1.00 0.00 H new ATOM 551 N LYS A 40 0.444 16.795 -3.948 1.00 0.00 N ATOM 552 CA LYS A 40 1.478 16.883 -2.923 1.00 0.00 C ATOM 553 C LYS A 40 0.871 17.227 -1.567 1.00 0.00 C ATOM 554 O LYS A 40 -0.029 18.060 -1.471 1.00 0.00 O ATOM 555 CB LYS A 40 2.519 17.936 -3.310 1.00 0.00 C ATOM 556 CG LYS A 40 2.019 19.364 -3.178 1.00 0.00 C ATOM 557 CD LYS A 40 2.978 20.352 -3.819 1.00 0.00 C ATOM 558 CE LYS A 40 2.887 20.313 -5.337 1.00 0.00 C ATOM 559 NZ LYS A 40 3.824 19.315 -5.924 1.00 0.00 N ATOM 0 H LYS A 40 -0.490 17.050 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 40 1.964 15.910 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.402 17.810 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.832 17.764 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.038 19.452 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.892 19.610 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.755 21.359 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.998 20.124 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.866 20.071 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.110 21.301 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.315 19.736 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.523 19.032 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.290 18.479 -6.236 1.00 0.00 H new ATOM 573 N GLY A 41 1.372 16.580 -0.518 1.00 0.00 N ATOM 574 CA GLY A 41 0.868 16.833 0.819 1.00 0.00 C ATOM 575 C GLY A 41 1.355 15.808 1.825 1.00 0.00 C ATOM 576 O GLY A 41 2.480 15.317 1.728 1.00 0.00 O ATOM 0 H GLY A 41 2.117 15.886 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.178 17.828 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.222 16.830 0.800 1.00 0.00 H new ATOM 580 N LYS A 42 0.507 15.485 2.795 1.00 0.00 N ATOM 581 CA LYS A 42 0.855 14.512 3.824 1.00 0.00 C ATOM 582 C LYS A 42 0.398 13.113 3.427 1.00 0.00 C ATOM 583 O LYS A 42 -0.757 12.743 3.641 1.00 0.00 O ATOM 584 CB LYS A 42 0.224 14.906 5.162 1.00 0.00 C ATOM 585 CG LYS A 42 0.897 14.267 6.363 1.00 0.00 C ATOM 586 CD LYS A 42 2.079 15.092 6.845 1.00 0.00 C ATOM 587 CE LYS A 42 2.469 14.729 8.270 1.00 0.00 C ATOM 588 NZ LYS A 42 2.986 13.336 8.366 1.00 0.00 N ATOM 0 H LYS A 42 -0.427 15.883 2.890 1.00 0.00 H new ATOM 0 HA LYS A 42 1.940 14.504 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.264 15.990 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.829 14.625 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.174 14.159 7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.235 13.264 6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.930 14.933 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.829 16.152 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.229 15.424 8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.603 14.841 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.241 13.127 9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.252 12.671 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.827 13.236 7.763 1.00 0.00 H new ATOM 602 N ILE A 43 1.310 12.339 2.850 1.00 0.00 N ATOM 603 CA ILE A 43 1.000 10.979 2.426 1.00 0.00 C ATOM 604 C ILE A 43 1.089 10.005 3.595 1.00 0.00 C ATOM 605 O ILE A 43 2.064 10.009 4.348 1.00 0.00 O ATOM 606 CB ILE A 43 1.949 10.508 1.307 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.663 11.271 0.012 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.806 9.009 1.088 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.771 11.160 -1.012 1.00 0.00 C ATOM 0 H ILE A 43 2.270 12.630 2.665 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.021 10.993 2.044 1.00 0.00 H new ATOM 0 HB ILE A 43 2.976 10.715 1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.737 10.896 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.501 12.323 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.482 8.691 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.054 8.481 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.779 8.779 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.500 11.725 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.694 11.562 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.918 10.113 -1.277 1.00 0.00 H new ATOM 621 N ASP A 44 0.066 9.170 3.741 1.00 0.00 N ATOM 622 CA ASP A 44 0.029 8.187 4.818 1.00 0.00 C ATOM 623 C ASP A 44 -0.599 6.881 4.340 1.00 0.00 C ATOM 624 O ASP A 44 -1.793 6.826 4.047 1.00 0.00 O ATOM 625 CB ASP A 44 -0.752 8.736 6.012 1.00 0.00 C ATOM 626 CG ASP A 44 0.111 9.579 6.931 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.350 10.759 6.601 1.00 0.00 O ATOM 628 OD2 ASP A 44 0.547 9.058 7.979 1.00 0.00 O ATOM 0 H ASP A 44 -0.749 9.154 3.127 1.00 0.00 H new ATOM 0 HA ASP A 44 1.054 7.984 5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.587 9.336 5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.177 7.906 6.577 1.00 0.00 H new ATOM 633 N ALA A 45 0.214 5.832 4.264 1.00 0.00 N ATOM 634 CA ALA A 45 -0.263 4.527 3.823 1.00 0.00 C ATOM 635 C ALA A 45 -0.207 3.510 4.958 1.00 0.00 C ATOM 636 O ALA A 45 0.860 2.996 5.294 1.00 0.00 O ATOM 637 CB ALA A 45 0.555 4.041 2.636 1.00 0.00 C ATOM 0 H ALA A 45 1.205 5.861 4.502 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.303 4.632 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.188 3.065 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.461 4.751 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.603 3.958 2.926 1.00 0.00 H new ATOM 643 N LYS A 46 -1.363 3.224 5.547 1.00 0.00 N ATOM 644 CA LYS A 46 -1.447 2.268 6.645 1.00 0.00 C ATOM 645 C LYS A 46 -2.272 1.050 6.243 1.00 0.00 C ATOM 646 O LYS A 46 -3.061 1.106 5.300 1.00 0.00 O ATOM 647 CB LYS A 46 -2.063 2.931 7.879 1.00 0.00 C ATOM 648 CG LYS A 46 -1.075 3.756 8.684 1.00 0.00 C ATOM 649 CD LYS A 46 -1.612 4.075 10.069 1.00 0.00 C ATOM 650 CE LYS A 46 -1.038 5.379 10.603 1.00 0.00 C ATOM 651 NZ LYS A 46 -1.834 5.908 11.745 1.00 0.00 N ATOM 0 H LYS A 46 -2.255 3.641 5.282 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.437 1.937 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.886 3.572 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.488 2.160 8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.134 3.213 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.858 4.684 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.699 4.143 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.367 3.262 10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.008 5.219 10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.013 6.119 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.411 6.797 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.811 6.085 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.837 5.212 12.518 1.00 0.00 H new ATOM 665 N VAL A 47 -2.087 -0.050 6.967 1.00 0.00 N ATOM 666 CA VAL A 47 -2.816 -1.281 6.687 1.00 0.00 C ATOM 667 C VAL A 47 -3.736 -1.649 7.845 1.00 0.00 C ATOM 668 O VAL A 47 -3.414 -1.410 9.009 1.00 0.00 O ATOM 669 CB VAL A 47 -1.855 -2.453 6.416 1.00 0.00 C ATOM 670 CG1 VAL A 47 -1.086 -2.816 7.678 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.619 -3.656 5.884 1.00 0.00 C ATOM 0 H VAL A 47 -1.438 -0.113 7.752 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.415 -1.099 5.795 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.136 -2.143 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.412 -3.646 7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.508 -1.955 8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.787 -3.108 8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.924 -4.475 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.361 -3.969 6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.120 -3.387 4.954 1.00 0.00 H new ATOM 681 N HIS A 48 -4.884 -2.234 7.519 1.00 0.00 N ATOM 682 CA HIS A 48 -5.852 -2.638 8.532 1.00 0.00 C ATOM 683 C HIS A 48 -6.115 -4.139 8.466 1.00 0.00 C ATOM 684 O HIS A 48 -5.959 -4.760 7.414 1.00 0.00 O ATOM 685 CB HIS A 48 -7.162 -1.870 8.351 1.00 0.00 C ATOM 686 CG HIS A 48 -7.056 -0.415 8.688 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.728 0.164 9.743 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.347 0.580 8.104 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.440 1.453 9.792 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.603 1.730 8.808 1.00 0.00 N ATOM 0 H HIS A 48 -5.167 -2.439 6.561 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.434 -2.404 9.511 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.493 -1.972 7.317 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.929 -2.324 8.978 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.700 0.486 7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.823 2.159 10.513 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.211 2.649 8.605 1.00 0.00 H new ATOM 698 N SER A 49 -6.514 -4.716 9.595 1.00 0.00 N ATOM 699 CA SER A 49 -6.794 -6.145 9.665 1.00 0.00 C ATOM 700 C SER A 49 -8.181 -6.399 10.248 1.00 0.00 C ATOM 701 O SER A 49 -8.718 -5.597 11.013 1.00 0.00 O ATOM 702 CB SER A 49 -5.735 -6.853 10.513 1.00 0.00 C ATOM 703 OG SER A 49 -5.635 -6.266 11.799 1.00 0.00 O ATOM 0 H SER A 49 -6.651 -4.216 10.473 1.00 0.00 H new ATOM 0 HA SER A 49 -6.766 -6.546 8.652 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.989 -7.909 10.610 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.769 -6.802 10.011 1.00 0.00 H new ATOM 0 HG SER A 49 -5.352 -5.332 11.711 1.00 0.00 H new ATOM 709 N PRO A 50 -8.777 -7.543 9.880 1.00 0.00 N ATOM 710 CA PRO A 50 -10.108 -7.931 10.355 1.00 0.00 C ATOM 711 C PRO A 50 -10.114 -8.291 11.836 1.00 0.00 C ATOM 712 O PRO A 50 -11.156 -8.623 12.401 1.00 0.00 O ATOM 713 CB PRO A 50 -10.444 -9.159 9.505 1.00 0.00 C ATOM 714 CG PRO A 50 -9.121 -9.723 9.115 1.00 0.00 C ATOM 715 CD PRO A 50 -8.195 -8.547 8.973 1.00 0.00 C ATOM 0 HA PRO A 50 -10.828 -7.118 10.258 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.032 -9.883 10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.032 -8.885 8.629 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.755 -10.419 9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.194 -10.278 8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.174 -8.802 9.258 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.158 -8.186 7.945 1.00 0.00 H new ATOM 723 N SER A 51 -8.943 -8.222 12.462 1.00 0.00 N ATOM 724 CA SER A 51 -8.812 -8.544 13.878 1.00 0.00 C ATOM 725 C SER A 51 -9.004 -7.299 14.738 1.00 0.00 C ATOM 726 O SER A 51 -9.425 -7.386 15.891 1.00 0.00 O ATOM 727 CB SER A 51 -7.442 -9.164 14.157 1.00 0.00 C ATOM 728 OG SER A 51 -7.431 -10.544 13.833 1.00 0.00 O ATOM 0 H SER A 51 -8.071 -7.946 12.010 1.00 0.00 H new ATOM 0 HA SER A 51 -9.588 -9.265 14.135 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.679 -8.645 13.576 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.187 -9.032 15.208 1.00 0.00 H new ATOM 0 HG SER A 51 -6.544 -10.917 14.019 1.00 0.00 H new ATOM 734 N GLY A 52 -8.692 -6.139 14.168 1.00 0.00 N ATOM 735 CA GLY A 52 -8.836 -4.892 14.895 1.00 0.00 C ATOM 736 C GLY A 52 -7.501 -4.256 15.226 1.00 0.00 C ATOM 737 O GLY A 52 -7.375 -3.543 16.221 1.00 0.00 O ATOM 0 H GLY A 52 -8.342 -6.041 13.215 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.429 -4.196 14.302 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.387 -5.075 15.818 1.00 0.00 H new ATOM 741 N ALA A 53 -6.501 -4.514 14.389 1.00 0.00 N ATOM 742 CA ALA A 53 -5.168 -3.961 14.598 1.00 0.00 C ATOM 743 C ALA A 53 -4.768 -3.044 13.447 1.00 0.00 C ATOM 744 O ALA A 53 -5.189 -3.242 12.307 1.00 0.00 O ATOM 745 CB ALA A 53 -4.152 -5.081 14.760 1.00 0.00 C ATOM 0 H ALA A 53 -6.589 -5.102 13.560 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.187 -3.367 15.512 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.161 -4.654 14.915 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.421 -5.695 15.619 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.144 -5.698 13.861 1.00 0.00 H new ATOM 751 N VAL A 54 -3.954 -2.039 13.753 1.00 0.00 N ATOM 752 CA VAL A 54 -3.497 -1.091 12.744 1.00 0.00 C ATOM 753 C VAL A 54 -1.978 -1.115 12.616 1.00 0.00 C ATOM 754 O VAL A 54 -1.260 -0.872 13.585 1.00 0.00 O ATOM 755 CB VAL A 54 -3.950 0.343 13.075 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.371 1.331 12.074 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.469 0.428 13.103 1.00 0.00 C ATOM 0 H VAL A 54 -3.597 -1.860 14.692 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.944 -1.396 11.798 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.576 0.604 14.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.702 2.339 12.324 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.282 1.288 12.108 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.713 1.075 11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.772 1.448 13.338 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.867 0.147 12.128 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.857 -0.250 13.863 1.00 0.00 H new ATOM 767 N GLU A 55 -1.495 -1.409 11.413 1.00 0.00 N ATOM 768 CA GLU A 55 -0.061 -1.465 11.158 1.00 0.00 C ATOM 769 C GLU A 55 0.356 -0.392 10.156 1.00 0.00 C ATOM 770 O GLU A 55 -0.408 -0.036 9.260 1.00 0.00 O ATOM 771 CB GLU A 55 0.334 -2.848 10.635 1.00 0.00 C ATOM 772 CG GLU A 55 0.643 -3.849 11.736 1.00 0.00 C ATOM 773 CD GLU A 55 0.577 -5.285 11.253 1.00 0.00 C ATOM 774 OE1 GLU A 55 -0.524 -5.873 11.284 1.00 0.00 O ATOM 775 OE2 GLU A 55 1.629 -5.821 10.843 1.00 0.00 O ATOM 0 H GLU A 55 -2.076 -1.612 10.600 1.00 0.00 H new ATOM 0 HA GLU A 55 0.456 -1.280 12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.475 -3.238 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.208 -2.748 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.637 -3.649 12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.063 -3.712 12.555 1.00 0.00 H new ATOM 782 N GLU A 56 1.574 0.118 10.316 1.00 0.00 N ATOM 783 CA GLU A 56 2.091 1.150 9.426 1.00 0.00 C ATOM 784 C GLU A 56 2.977 0.541 8.343 1.00 0.00 C ATOM 785 O GLU A 56 3.871 -0.255 8.632 1.00 0.00 O ATOM 786 CB GLU A 56 2.882 2.191 10.221 1.00 0.00 C ATOM 787 CG GLU A 56 3.028 3.523 9.505 1.00 0.00 C ATOM 788 CD GLU A 56 4.145 4.374 10.078 1.00 0.00 C ATOM 789 OE1 GLU A 56 5.162 3.799 10.519 1.00 0.00 O ATOM 790 OE2 GLU A 56 4.002 5.614 10.085 1.00 0.00 O ATOM 0 H GLU A 56 2.219 -0.167 11.053 1.00 0.00 H new ATOM 0 HA GLU A 56 1.243 1.637 8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.389 2.355 11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.874 1.794 10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.219 3.343 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.088 4.071 9.571 1.00 0.00 H new ATOM 797 N CYS A 57 2.721 0.920 7.095 1.00 0.00 N ATOM 798 CA CYS A 57 3.494 0.411 5.968 1.00 0.00 C ATOM 799 C CYS A 57 4.676 1.325 5.662 1.00 0.00 C ATOM 800 O CYS A 57 4.540 2.548 5.639 1.00 0.00 O ATOM 801 CB CYS A 57 2.603 0.278 4.731 1.00 0.00 C ATOM 802 SG CYS A 57 1.197 -0.837 4.951 1.00 0.00 S ATOM 0 H CYS A 57 1.985 1.578 6.839 1.00 0.00 H new ATOM 0 HA CYS A 57 3.879 -0.572 6.238 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.231 1.265 4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.208 -0.078 3.897 1.00 0.00 H new ATOM 0 HG CYS A 57 0.503 -0.882 3.853 1.00 0.00 H new ATOM 808 N HIS A 58 5.838 0.722 5.429 1.00 0.00 N ATOM 809 CA HIS A 58 7.046 1.482 5.126 1.00 0.00 C ATOM 810 C HIS A 58 6.842 2.357 3.893 1.00 0.00 C ATOM 811 O HIS A 58 6.384 1.885 2.853 1.00 0.00 O ATOM 812 CB HIS A 58 8.226 0.536 4.904 1.00 0.00 C ATOM 813 CG HIS A 58 9.386 1.178 4.207 1.00 0.00 C ATOM 814 ND1 HIS A 58 9.983 2.338 4.653 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.060 0.815 3.091 1.00 0.00 C ATOM 816 CE1 HIS A 58 10.973 2.662 3.840 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.041 1.753 2.884 1.00 0.00 N ATOM 0 H HIS A 58 5.969 -0.290 5.444 1.00 0.00 H new ATOM 0 HA HIS A 58 7.262 2.128 5.977 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.559 0.152 5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.890 -0.320 4.319 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.863 -0.052 2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.617 3.523 3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.713 1.749 2.117 1.00 0.00 H new ATOM 825 N VAL A 59 7.183 3.636 4.018 1.00 0.00 N ATOM 826 CA VAL A 59 7.038 4.577 2.914 1.00 0.00 C ATOM 827 C VAL A 59 8.323 5.367 2.693 1.00 0.00 C ATOM 828 O VAL A 59 8.828 6.020 3.606 1.00 0.00 O ATOM 829 CB VAL A 59 5.880 5.561 3.165 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.774 6.563 2.025 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.571 4.808 3.348 1.00 0.00 C ATOM 0 H VAL A 59 7.562 4.044 4.873 1.00 0.00 H new ATOM 0 HA VAL A 59 6.819 3.989 2.023 1.00 0.00 H new ATOM 0 HB VAL A 59 6.087 6.112 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.950 7.250 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.705 7.125 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.591 6.033 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.764 5.519 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.355 4.230 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.655 4.135 4.201 1.00 0.00 H new ATOM 841 N SER A 60 8.848 5.303 1.473 1.00 0.00 N ATOM 842 CA SER A 60 10.077 6.010 1.132 1.00 0.00 C ATOM 843 C SER A 60 9.902 6.813 -0.153 1.00 0.00 C ATOM 844 O SER A 60 9.392 6.304 -1.151 1.00 0.00 O ATOM 845 CB SER A 60 11.233 5.021 0.976 1.00 0.00 C ATOM 846 OG SER A 60 12.476 5.639 1.260 1.00 0.00 O ATOM 0 H SER A 60 8.441 4.769 0.705 1.00 0.00 H new ATOM 0 HA SER A 60 10.307 6.701 1.943 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.083 4.174 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.243 4.627 -0.040 1.00 0.00 H new ATOM 0 HG SER A 60 13.198 4.985 1.155 1.00 0.00 H new ATOM 852 N GLU A 61 10.330 8.072 -0.120 1.00 0.00 N ATOM 853 CA GLU A 61 10.220 8.946 -1.282 1.00 0.00 C ATOM 854 C GLU A 61 11.386 8.724 -2.242 1.00 0.00 C ATOM 855 O GLU A 61 12.512 9.147 -1.977 1.00 0.00 O ATOM 856 CB GLU A 61 10.178 10.411 -0.844 1.00 0.00 C ATOM 857 CG GLU A 61 9.923 11.381 -1.985 1.00 0.00 C ATOM 858 CD GLU A 61 9.981 12.830 -1.543 1.00 0.00 C ATOM 859 OE1 GLU A 61 10.745 13.135 -0.603 1.00 0.00 O ATOM 860 OE2 GLU A 61 9.262 13.661 -2.138 1.00 0.00 O ATOM 0 H GLU A 61 10.755 8.508 0.698 1.00 0.00 H new ATOM 0 HA GLU A 61 9.293 8.703 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.398 10.534 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.124 10.666 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.661 11.215 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.944 11.176 -2.419 1.00 0.00 H new ATOM 867 N LEU A 62 11.108 8.058 -3.357 1.00 0.00 N ATOM 868 CA LEU A 62 12.132 7.778 -4.357 1.00 0.00 C ATOM 869 C LEU A 62 12.059 8.779 -5.505 1.00 0.00 C ATOM 870 O LEU A 62 13.085 9.254 -5.993 1.00 0.00 O ATOM 871 CB LEU A 62 11.973 6.355 -4.895 1.00 0.00 C ATOM 872 CG LEU A 62 11.603 5.286 -3.866 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.435 3.933 -4.539 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.657 5.212 -2.771 1.00 0.00 C ATOM 0 H LEU A 62 10.181 7.702 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 62 13.107 7.871 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.207 6.365 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.908 6.062 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 62 10.653 5.562 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.172 3.185 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.643 3.994 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.369 3.649 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.377 4.446 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.622 4.960 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.728 6.177 -2.269 1.00 0.00 H new ATOM 886 N GLU A 63 10.841 9.097 -5.931 1.00 0.00 N ATOM 887 CA GLU A 63 10.635 10.043 -7.021 1.00 0.00 C ATOM 888 C GLU A 63 9.729 11.190 -6.582 1.00 0.00 C ATOM 889 O GLU A 63 8.908 11.054 -5.675 1.00 0.00 O ATOM 890 CB GLU A 63 10.027 9.334 -8.233 1.00 0.00 C ATOM 891 CG GLU A 63 10.431 7.874 -8.350 1.00 0.00 C ATOM 892 CD GLU A 63 10.177 7.307 -9.733 1.00 0.00 C ATOM 893 OE1 GLU A 63 9.067 7.515 -10.265 1.00 0.00 O ATOM 894 OE2 GLU A 63 11.089 6.655 -10.284 1.00 0.00 O ATOM 0 H GLU A 63 9.982 8.713 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 63 11.605 10.455 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.941 9.398 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.328 9.859 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.489 7.773 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.880 7.288 -7.614 1.00 0.00 H new ATOM 901 N PRO A 64 9.881 12.349 -7.241 1.00 0.00 N ATOM 902 CA PRO A 64 9.087 13.542 -6.937 1.00 0.00 C ATOM 903 C PRO A 64 7.627 13.387 -7.349 1.00 0.00 C ATOM 904 O PRO A 64 6.741 14.026 -6.781 1.00 0.00 O ATOM 905 CB PRO A 64 9.762 14.638 -7.765 1.00 0.00 C ATOM 906 CG PRO A 64 10.418 13.914 -8.890 1.00 0.00 C ATOM 907 CD PRO A 64 10.841 12.582 -8.334 1.00 0.00 C ATOM 0 HA PRO A 64 9.060 13.752 -5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.034 15.362 -8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.490 15.190 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.731 13.787 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.277 14.471 -9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.790 11.797 -9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.868 12.607 -7.969 1.00 0.00 H new ATOM 915 N ASP A 65 7.383 12.534 -8.338 1.00 0.00 N ATOM 916 CA ASP A 65 6.030 12.294 -8.824 1.00 0.00 C ATOM 917 C ASP A 65 5.625 10.839 -8.608 1.00 0.00 C ATOM 918 O ASP A 65 4.556 10.410 -9.042 1.00 0.00 O ATOM 919 CB ASP A 65 5.928 12.649 -10.308 1.00 0.00 C ATOM 920 CG ASP A 65 6.729 13.886 -10.664 1.00 0.00 C ATOM 921 OD1 ASP A 65 6.485 14.948 -10.053 1.00 0.00 O ATOM 922 OD2 ASP A 65 7.601 13.793 -11.553 1.00 0.00 O ATOM 0 H ASP A 65 8.105 11.997 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 65 5.349 12.930 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.280 11.808 -10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.882 12.809 -10.569 1.00 0.00 H new ATOM 927 N LYS A 66 6.487 10.084 -7.935 1.00 0.00 N ATOM 928 CA LYS A 66 6.220 8.678 -7.660 1.00 0.00 C ATOM 929 C LYS A 66 6.649 8.309 -6.243 1.00 0.00 C ATOM 930 O LYS A 66 7.524 8.952 -5.662 1.00 0.00 O ATOM 931 CB LYS A 66 6.950 7.792 -8.672 1.00 0.00 C ATOM 932 CG LYS A 66 6.279 6.448 -8.900 1.00 0.00 C ATOM 933 CD LYS A 66 7.066 5.591 -9.876 1.00 0.00 C ATOM 934 CE LYS A 66 6.533 4.167 -9.922 1.00 0.00 C ATOM 935 NZ LYS A 66 7.176 3.300 -8.896 1.00 0.00 N ATOM 0 H LYS A 66 7.377 10.423 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 66 5.146 8.514 -7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.018 8.321 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.970 7.625 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.182 5.923 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.270 6.604 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.016 6.032 -10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.117 5.578 -9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.455 4.178 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.706 3.746 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.836 2.323 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.208 3.323 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.933 3.648 -7.946 1.00 0.00 H new ATOM 949 N TYR A 67 6.029 7.271 -5.693 1.00 0.00 N ATOM 950 CA TYR A 67 6.346 6.818 -4.344 1.00 0.00 C ATOM 951 C TYR A 67 6.323 5.295 -4.261 1.00 0.00 C ATOM 952 O TYR A 67 5.899 4.618 -5.197 1.00 0.00 O ATOM 953 CB TYR A 67 5.357 7.410 -3.339 1.00 0.00 C ATOM 954 CG TYR A 67 5.653 8.846 -2.971 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.508 9.867 -3.903 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.080 9.183 -1.692 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.778 11.181 -3.571 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.351 10.494 -1.352 1.00 0.00 C ATOM 959 CZ TYR A 67 6.199 11.489 -2.295 1.00 0.00 C ATOM 960 OH TYR A 67 6.470 12.796 -1.960 1.00 0.00 O ATOM 0 H TYR A 67 5.304 6.727 -6.161 1.00 0.00 H new ATOM 0 HA TYR A 67 7.351 7.162 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.351 7.350 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.365 6.803 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.179 9.629 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.202 8.407 -0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.660 11.962 -4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.680 10.739 -0.353 1.00 0.00 H new ATOM 0 HH TYR A 67 7.428 12.971 -2.072 1.00 0.00 H new ATOM 970 N ALA A 68 6.781 4.763 -3.133 1.00 0.00 N ATOM 971 CA ALA A 68 6.811 3.321 -2.925 1.00 0.00 C ATOM 972 C ALA A 68 6.423 2.965 -1.493 1.00 0.00 C ATOM 973 O ALA A 68 6.788 3.664 -0.548 1.00 0.00 O ATOM 974 CB ALA A 68 8.190 2.769 -3.254 1.00 0.00 C ATOM 0 H ALA A 68 7.137 5.310 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 68 6.081 2.866 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.198 1.691 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.429 2.983 -4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.933 3.237 -2.608 1.00 0.00 H new ATOM 980 N VAL A 69 5.682 1.872 -1.340 1.00 0.00 N ATOM 981 CA VAL A 69 5.246 1.422 -0.024 1.00 0.00 C ATOM 982 C VAL A 69 5.434 -0.082 0.133 1.00 0.00 C ATOM 983 O VAL A 69 5.013 -0.863 -0.720 1.00 0.00 O ATOM 984 CB VAL A 69 3.767 1.772 0.227 1.00 0.00 C ATOM 985 CG1 VAL A 69 3.325 1.277 1.596 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.545 3.272 0.096 1.00 0.00 C ATOM 0 H VAL A 69 5.371 1.282 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 69 5.864 1.941 0.709 1.00 0.00 H new ATOM 0 HB VAL A 69 3.160 1.270 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.278 1.534 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.445 0.195 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.935 1.747 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.495 3.502 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.162 3.796 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.819 3.594 -0.909 1.00 0.00 H new ATOM 996 N ARG A 70 6.070 -0.482 1.230 1.00 0.00 N ATOM 997 CA ARG A 70 6.315 -1.894 1.500 1.00 0.00 C ATOM 998 C ARG A 70 5.508 -2.365 2.706 1.00 0.00 C ATOM 999 O ARG A 70 5.439 -1.680 3.726 1.00 0.00 O ATOM 1000 CB ARG A 70 7.805 -2.137 1.743 1.00 0.00 C ATOM 1001 CG ARG A 70 8.211 -3.597 1.629 1.00 0.00 C ATOM 1002 CD ARG A 70 9.400 -3.917 2.521 1.00 0.00 C ATOM 1003 NE ARG A 70 10.619 -3.254 2.067 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.819 -3.484 2.589 1.00 0.00 C ATOM 1005 NH1 ARG A 70 11.959 -4.356 3.578 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.881 -2.841 2.122 1.00 0.00 N ATOM 0 H ARG A 70 6.425 0.152 1.946 1.00 0.00 H new ATOM 0 HA ARG A 70 5.998 -2.465 0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.381 -1.552 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.067 -1.773 2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.369 -4.232 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.460 -3.826 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.179 -3.610 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.559 -4.995 2.540 1.00 0.00 H new ATOM 0 HE ARG A 70 10.545 -2.577 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.144 -4.852 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.881 -4.531 3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.777 -2.169 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.802 -3.018 2.523 1.00 0.00 H new ATOM 1020 N PHE A 71 4.898 -3.539 2.580 1.00 0.00 N ATOM 1021 CA PHE A 71 4.094 -4.102 3.659 1.00 0.00 C ATOM 1022 C PHE A 71 3.920 -5.607 3.480 1.00 0.00 C ATOM 1023 O PHE A 71 3.853 -6.105 2.356 1.00 0.00 O ATOM 1024 CB PHE A 71 2.724 -3.422 3.711 1.00 0.00 C ATOM 1025 CG PHE A 71 1.725 -4.013 2.758 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.717 -3.643 1.423 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.793 -4.940 3.198 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.799 -4.185 0.544 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.127 -5.486 2.323 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.125 -5.107 0.995 1.00 0.00 C ATOM 0 H PHE A 71 4.945 -4.119 1.742 1.00 0.00 H new ATOM 0 HA PHE A 71 4.617 -3.924 4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.331 -3.491 4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.845 -2.362 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.437 -2.922 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.786 -5.239 4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.804 -3.888 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.847 -6.209 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.845 -5.531 0.310 1.00 0.00 H new ATOM 1040 N ILE A 72 3.849 -6.325 4.595 1.00 0.00 N ATOM 1041 CA ILE A 72 3.683 -7.773 4.562 1.00 0.00 C ATOM 1042 C ILE A 72 2.217 -8.162 4.718 1.00 0.00 C ATOM 1043 O ILE A 72 1.651 -8.121 5.811 1.00 0.00 O ATOM 1044 CB ILE A 72 4.506 -8.460 5.668 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.998 -8.188 5.467 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.231 -9.956 5.682 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.811 -8.312 6.737 1.00 0.00 C ATOM 0 H ILE A 72 3.904 -5.928 5.533 1.00 0.00 H new ATOM 0 HA ILE A 72 4.044 -8.110 3.590 1.00 0.00 H new ATOM 0 HB ILE A 72 4.208 -8.047 6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.389 -8.884 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.125 -7.185 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.820 -10.427 6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.171 -10.129 5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.504 -10.385 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.859 -8.106 6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.446 -7.597 7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.715 -9.323 7.133 1.00 0.00 H new ATOM 1059 N PRO A 73 1.586 -8.551 3.601 1.00 0.00 N ATOM 1060 CA PRO A 73 0.178 -8.958 3.588 1.00 0.00 C ATOM 1061 C PRO A 73 -0.048 -10.290 4.296 1.00 0.00 C ATOM 1062 O PRO A 73 -0.167 -11.334 3.653 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.141 -9.085 2.096 1.00 0.00 C ATOM 1064 CG PRO A 73 1.172 -9.364 1.450 1.00 0.00 C ATOM 1065 CD PRO A 73 2.199 -8.625 2.264 1.00 0.00 C ATOM 0 HA PRO A 73 -0.457 -8.245 4.115 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.852 -9.890 1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.587 -8.169 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.381 -10.434 1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.177 -9.025 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.151 -9.155 2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.397 -7.633 1.857 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.105 -10.247 5.623 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.317 -11.451 6.419 1.00 0.00 C ATOM 1075 C HIS A 74 -1.536 -11.297 7.323 1.00 0.00 C ATOM 1076 O HIS A 74 -1.484 -10.602 8.337 1.00 0.00 O ATOM 1077 CB HIS A 74 0.922 -11.756 7.261 1.00 0.00 C ATOM 1078 CG HIS A 74 1.114 -10.812 8.407 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.348 -9.463 8.240 1.00 0.00 N ATOM 1080 CD2 HIS A 74 1.104 -11.028 9.744 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.475 -8.891 9.424 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.331 -9.818 10.353 1.00 0.00 N ATOM 0 H HIS A 74 -0.007 -9.392 6.170 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.496 -12.281 5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.848 -12.773 7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.804 -11.722 6.621 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.413 -8.982 7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.947 -11.975 10.239 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.665 -7.843 9.602 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.632 -11.949 6.947 1.00 0.00 N ATOM 1091 CA GLU A 75 -3.864 -11.882 7.724 1.00 0.00 C ATOM 1092 C GLU A 75 -4.623 -13.204 7.655 1.00 0.00 C ATOM 1093 O GLU A 75 -4.205 -14.137 6.972 1.00 0.00 O ATOM 1094 CB GLU A 75 -4.753 -10.744 7.216 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.258 -9.363 7.609 1.00 0.00 C ATOM 1096 CD GLU A 75 -3.821 -9.291 9.059 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -4.486 -9.919 9.910 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -2.816 -8.606 9.344 1.00 0.00 O ATOM 0 H GLU A 75 -2.692 -12.529 6.110 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.598 -11.689 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.817 -10.802 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.763 -10.883 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.422 -9.084 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.050 -8.634 7.435 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.742 -13.275 8.370 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.559 -14.483 8.392 1.00 0.00 C ATOM 1107 C ASN A 76 -7.888 -14.253 7.679 1.00 0.00 C ATOM 1108 O ASN A 76 -8.825 -15.039 7.821 1.00 0.00 O ATOM 1109 CB ASN A 76 -6.811 -14.927 9.834 1.00 0.00 C ATOM 1110 CG ASN A 76 -8.041 -14.275 10.434 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -9.023 -14.948 10.749 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -7.994 -12.958 10.594 1.00 0.00 N ATOM 0 H ASN A 76 -6.103 -12.511 8.941 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.016 -15.269 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.927 -16.010 9.862 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.941 -14.684 10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.793 -12.464 10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.159 -12.440 10.319 1.00 0.00 H new ATOM 1119 N GLY A 77 -7.963 -13.170 6.912 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.181 -12.856 6.188 1.00 0.00 C ATOM 1121 C GLY A 77 -8.938 -11.914 5.025 1.00 0.00 C ATOM 1122 O GLY A 77 -8.161 -12.220 4.121 1.00 0.00 O ATOM 0 H GLY A 77 -7.202 -12.504 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.628 -13.779 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.901 -12.406 6.872 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.606 -10.765 5.047 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.459 -9.776 3.986 1.00 0.00 C ATOM 1128 C VAL A 78 -8.738 -8.531 4.491 1.00 0.00 C ATOM 1129 O VAL A 78 -9.122 -7.946 5.504 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.827 -9.364 3.409 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.662 -8.251 2.386 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.529 -10.566 2.794 1.00 0.00 C ATOM 0 H VAL A 78 -10.254 -10.496 5.788 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.866 -10.242 3.199 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.447 -8.987 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.639 -7.973 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.204 -7.384 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.025 -8.597 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.494 -10.257 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.915 -10.975 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.682 -11.328 3.558 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.690 -8.131 3.778 1.00 0.00 N ATOM 1143 CA HIS A 79 -6.914 -6.955 4.153 1.00 0.00 C ATOM 1144 C HIS A 79 -7.608 -5.677 3.692 1.00 0.00 C ATOM 1145 O HIS A 79 -8.477 -5.709 2.820 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.510 -7.031 3.553 1.00 0.00 C ATOM 1147 CG HIS A 79 -4.848 -8.361 3.744 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.741 -8.542 4.546 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.144 -9.578 3.233 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.384 -9.814 4.519 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.219 -10.464 3.729 1.00 0.00 N ATOM 0 H HIS A 79 -7.359 -8.604 2.937 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.836 -6.934 5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.567 -6.813 2.487 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.889 -6.257 4.004 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.271 -7.809 5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.956 -9.810 2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.551 -10.248 5.052 1.00 0.00 H new ATOM 1159 N THR A 80 -7.221 -4.551 4.285 1.00 0.00 N ATOM 1160 CA THR A 80 -7.807 -3.263 3.937 1.00 0.00 C ATOM 1161 C THR A 80 -6.762 -2.154 3.982 1.00 0.00 C ATOM 1162 O THR A 80 -6.294 -1.772 5.055 1.00 0.00 O ATOM 1163 CB THR A 80 -8.966 -2.899 4.884 1.00 0.00 C ATOM 1164 OG1 THR A 80 -9.973 -3.917 4.839 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.575 -1.559 4.503 1.00 0.00 C ATOM 0 H THR A 80 -6.504 -4.506 5.009 1.00 0.00 H new ATOM 0 HA THR A 80 -8.192 -3.355 2.922 1.00 0.00 H new ATOM 0 HB THR A 80 -8.570 -2.825 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.706 -3.679 5.445 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.391 -1.323 5.186 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.813 -0.782 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.958 -1.610 3.484 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.401 -1.640 2.811 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.413 -0.573 2.717 1.00 0.00 C ATOM 1175 C ILE A 81 -6.055 0.792 2.939 1.00 0.00 C ATOM 1176 O ILE A 81 -7.072 1.118 2.326 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.706 -0.578 1.349 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.154 -1.972 1.042 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.591 0.456 1.325 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.907 -2.212 -0.431 1.00 0.00 C ATOM 0 H ILE A 81 -6.778 -1.946 1.914 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.676 -0.757 3.498 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.433 -0.317 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.220 -2.112 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.854 -2.721 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.101 0.440 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.009 1.446 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.862 0.224 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.516 -3.219 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.843 -2.104 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.183 -1.486 -0.802 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.454 1.587 3.818 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.966 2.919 4.119 1.00 0.00 C ATOM 1194 C ASP A 82 -5.024 3.995 3.589 1.00 0.00 C ATOM 1195 O ASP A 82 -4.035 4.343 4.235 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.155 3.087 5.628 1.00 0.00 C ATOM 1197 CG ASP A 82 -6.512 4.509 6.012 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -5.842 5.442 5.523 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -7.463 4.689 6.801 1.00 0.00 O ATOM 0 H ASP A 82 -4.612 1.332 4.334 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.931 3.031 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.941 2.413 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.239 2.794 6.141 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.337 4.520 2.409 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.519 5.557 1.791 1.00 0.00 C ATOM 1206 C VAL A 83 -5.129 6.937 2.004 1.00 0.00 C ATOM 1207 O VAL A 83 -6.100 7.308 1.342 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.346 5.310 0.281 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.527 6.425 -0.352 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.699 3.956 0.033 1.00 0.00 C ATOM 0 H VAL A 83 -6.152 4.244 1.861 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.541 5.518 2.271 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.332 5.306 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.415 6.233 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.035 7.378 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.543 6.464 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.585 3.798 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.720 3.928 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.329 3.170 0.450 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.555 7.696 2.930 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.040 9.038 3.230 1.00 0.00 C ATOM 1222 C LYS A 84 -4.103 10.096 2.657 1.00 0.00 C ATOM 1223 O LYS A 84 -2.881 9.965 2.734 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.176 9.227 4.743 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.553 8.875 5.278 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.480 8.348 6.701 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.743 8.676 7.483 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.499 8.686 8.952 1.00 0.00 N ATOM 0 H LYS A 84 -3.752 7.404 3.487 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.019 9.156 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.431 8.610 5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.952 10.264 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.192 9.757 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.014 8.125 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.332 7.268 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.616 8.780 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.121 9.650 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.516 7.944 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.384 8.913 9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.163 7.749 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.780 9.402 9.180 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.682 11.146 2.084 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.898 12.227 1.499 1.00 0.00 C ATOM 1244 C PHE A 85 -4.452 13.587 1.915 1.00 0.00 C ATOM 1245 O PHE A 85 -5.416 14.081 1.332 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.891 12.112 -0.027 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.745 12.834 -0.677 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -2.832 14.188 -0.958 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -1.582 12.158 -1.008 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -1.780 14.855 -1.556 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -0.526 12.820 -1.606 1.00 0.00 C ATOM 1252 CZ PHE A 85 -0.626 14.170 -1.881 1.00 0.00 C ATOM 0 H PHE A 85 -5.692 11.271 2.012 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.876 12.142 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.850 11.059 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.828 12.508 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.733 14.728 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.499 11.102 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.860 15.911 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.376 12.282 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.197 14.689 -2.349 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.833 14.186 2.928 1.00 0.00 N ATOM 1263 CA ASN A 86 -4.264 15.488 3.424 1.00 0.00 C ATOM 1264 C ASN A 86 -5.584 15.373 4.180 1.00 0.00 C ATOM 1265 O ASN A 86 -6.536 16.100 3.902 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.412 16.475 2.264 1.00 0.00 C ATOM 1267 CG ASN A 86 -4.162 17.909 2.690 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -4.909 18.469 3.492 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -3.107 18.510 2.152 1.00 0.00 N ATOM 0 H ASN A 86 -3.032 13.791 3.421 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.503 15.857 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.713 16.207 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.415 16.393 1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.888 19.475 2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.515 18.007 1.491 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.632 14.453 5.139 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.839 14.260 5.921 1.00 0.00 C ATOM 1278 C GLY A 87 -8.022 13.847 5.069 1.00 0.00 C ATOM 1279 O GLY A 87 -9.173 14.092 5.431 1.00 0.00 O ATOM 0 H GLY A 87 -4.857 13.838 5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.659 13.499 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.079 15.184 6.447 1.00 0.00 H new ATOM 1283 N SER A 88 -7.740 13.219 3.932 1.00 0.00 N ATOM 1284 CA SER A 88 -8.790 12.777 3.022 1.00 0.00 C ATOM 1285 C SER A 88 -8.546 11.341 2.568 1.00 0.00 C ATOM 1286 O SER A 88 -7.509 10.750 2.870 1.00 0.00 O ATOM 1287 CB SER A 88 -8.865 13.702 1.806 1.00 0.00 C ATOM 1288 OG SER A 88 -9.780 14.762 2.027 1.00 0.00 O ATOM 0 H SER A 88 -6.793 13.005 3.619 1.00 0.00 H new ATOM 0 HA SER A 88 -9.739 12.815 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.876 14.109 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.170 13.131 0.929 1.00 0.00 H new ATOM 0 HG SER A 88 -9.808 15.340 1.236 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.509 10.785 1.840 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.400 9.418 1.343 1.00 0.00 C ATOM 1296 C HIS A 89 -9.500 9.384 -0.179 1.00 0.00 C ATOM 1297 O HIS A 89 -10.538 9.718 -0.751 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.491 8.540 1.957 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.205 8.131 3.369 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.476 7.007 3.694 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.554 8.704 4.545 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.390 6.905 5.008 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -10.036 7.923 5.548 1.00 0.00 N ATOM 0 H HIS A 89 -10.374 11.260 1.581 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.425 9.029 1.635 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.438 9.078 1.928 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.613 7.646 1.346 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.067 6.356 3.024 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.132 9.607 4.671 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.879 6.123 5.549 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.415 8.978 -0.830 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.381 8.900 -2.286 1.00 0.00 C ATOM 1313 C VAL A 90 -9.566 8.105 -2.822 1.00 0.00 C ATOM 1314 O VAL A 90 -10.449 7.701 -2.065 1.00 0.00 O ATOM 1315 CB VAL A 90 -7.075 8.251 -2.783 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.868 9.039 -2.297 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.994 6.802 -2.328 1.00 0.00 C ATOM 0 H VAL A 90 -7.548 8.698 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.435 9.923 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.074 8.267 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.955 8.565 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.922 10.059 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.861 9.058 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.065 6.359 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.018 6.761 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.841 6.246 -2.731 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.580 7.884 -4.132 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.657 7.136 -4.770 1.00 0.00 C ATOM 1329 C VAL A 91 -10.567 5.651 -4.435 1.00 0.00 C ATOM 1330 O VAL A 91 -9.479 5.079 -4.390 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.630 7.308 -6.300 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.468 8.775 -6.670 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.517 6.470 -6.911 1.00 0.00 C ATOM 0 H VAL A 91 -8.858 8.212 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.594 7.537 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.580 6.959 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.451 8.877 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.303 9.347 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.534 9.154 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.513 6.604 -7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.557 6.786 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.682 5.419 -6.676 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.721 5.032 -4.202 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.751 3.619 -3.874 1.00 0.00 C ATOM 1345 C GLY A 92 -11.060 3.313 -2.560 1.00 0.00 C ATOM 1346 O GLY A 92 -10.434 2.264 -2.409 1.00 0.00 O ATOM 0 H GLY A 92 -12.635 5.484 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.787 3.283 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.272 3.054 -4.673 1.00 0.00 H new ATOM 1350 N SER A 93 -11.172 4.232 -1.606 1.00 0.00 N ATOM 1351 CA SER A 93 -10.548 4.059 -0.300 1.00 0.00 C ATOM 1352 C SER A 93 -11.586 4.151 0.814 1.00 0.00 C ATOM 1353 O SER A 93 -12.522 4.950 0.761 1.00 0.00 O ATOM 1354 CB SER A 93 -9.459 5.112 -0.087 1.00 0.00 C ATOM 1355 OG SER A 93 -8.455 4.636 0.792 1.00 0.00 O ATOM 0 H SER A 93 -11.689 5.104 -1.714 1.00 0.00 H new ATOM 0 HA SER A 93 -10.095 3.068 -0.270 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.012 5.377 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.902 6.021 0.320 1.00 0.00 H new ATOM 0 HG SER A 93 -7.770 5.327 0.911 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.419 3.314 1.849 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.309 2.359 1.923 1.00 0.00 C ATOM 1363 C PRO A 94 -10.447 1.231 0.906 1.00 0.00 C ATOM 1364 O PRO A 94 -11.547 0.930 0.443 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.408 1.810 3.348 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.839 1.985 3.723 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.299 3.236 3.026 1.00 0.00 C ATOM 0 HA PRO A 94 -9.351 2.828 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.113 0.761 3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.751 2.353 4.028 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.432 1.125 3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.951 2.076 4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.349 3.173 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.195 4.113 3.665 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.324 0.609 0.563 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.320 -0.487 -0.399 1.00 0.00 C ATOM 1377 C PHE A 95 -9.426 -1.834 0.310 1.00 0.00 C ATOM 1378 O PHE A 95 -9.154 -1.943 1.506 1.00 0.00 O ATOM 1379 CB PHE A 95 -8.048 -0.443 -1.248 1.00 0.00 C ATOM 1380 CG PHE A 95 -8.077 0.611 -2.318 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.666 0.355 -3.545 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.515 1.858 -2.095 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.693 1.323 -4.532 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.540 2.830 -3.078 1.00 0.00 C ATOM 1385 CZ PHE A 95 -8.131 2.563 -4.297 1.00 0.00 C ATOM 0 H PHE A 95 -8.405 0.845 0.937 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.187 -0.370 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.192 -0.265 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.897 -1.417 -1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.109 -0.612 -3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.052 2.073 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.153 1.110 -5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.098 3.798 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.154 3.322 -5.065 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.823 -2.859 -0.437 1.00 0.00 N ATOM 1396 CA LYS A 96 -9.965 -4.200 0.117 1.00 0.00 C ATOM 1397 C LYS A 96 -9.305 -5.235 -0.788 1.00 0.00 C ATOM 1398 O LYS A 96 -9.517 -5.240 -2.000 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.445 -4.542 0.305 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.171 -4.840 -0.995 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.097 -6.316 -1.349 1.00 0.00 C ATOM 1402 CE LYS A 96 -12.299 -6.543 -2.839 1.00 0.00 C ATOM 1403 NZ LYS A 96 -13.701 -6.263 -3.258 1.00 0.00 N ATOM 0 H LYS A 96 -10.052 -2.786 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.467 -4.220 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.529 -5.406 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.941 -3.710 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.215 -4.538 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.734 -4.249 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.129 -6.715 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.856 -6.864 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.618 -5.903 -3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.045 -7.573 -3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.798 -6.429 -4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.350 -6.891 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.936 -5.273 -3.045 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.503 -6.111 -0.190 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.814 -7.153 -0.942 1.00 0.00 C ATOM 1419 C VAL A 97 -7.773 -8.460 -0.159 1.00 0.00 C ATOM 1420 O VAL A 97 -7.819 -8.461 1.071 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.374 -6.733 -1.292 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.377 -5.463 -2.129 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.551 -6.545 -0.027 1.00 0.00 C ATOM 0 H VAL A 97 -8.315 -6.120 0.812 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.376 -7.302 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.916 -7.527 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.351 -5.181 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.929 -5.637 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.853 -4.659 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.537 -6.248 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.005 -5.770 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.521 -7.482 0.530 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.687 -9.573 -0.881 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.642 -10.889 -0.254 1.00 0.00 C ATOM 1435 C ARG A 98 -6.313 -11.582 -0.541 1.00 0.00 C ATOM 1436 O ARG A 98 -5.798 -11.522 -1.658 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.800 -11.755 -0.752 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.194 -12.860 0.215 1.00 0.00 C ATOM 1439 CD ARG A 98 -8.363 -14.115 -0.005 1.00 0.00 C ATOM 1440 NE ARG A 98 -8.953 -15.282 0.645 1.00 0.00 N ATOM 1441 CZ ARG A 98 -8.525 -16.525 0.452 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -7.510 -16.760 -0.367 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -9.114 -17.535 1.080 1.00 0.00 N ATOM 0 H ARG A 98 -7.647 -9.590 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.737 -10.754 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.666 -11.119 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.524 -12.201 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.065 -12.512 1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.251 -13.095 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.268 -14.305 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.356 -13.955 0.381 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.736 -15.135 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.055 -15.986 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.183 -17.715 -0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.895 -17.357 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.785 -18.489 0.932 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.763 -12.241 0.474 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.495 -12.946 0.331 1.00 0.00 C ATOM 1459 C VAL A 99 -4.719 -14.410 -0.031 1.00 0.00 C ATOM 1460 O VAL A 99 -5.465 -15.120 0.642 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.661 -12.870 1.623 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.283 -13.731 2.712 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.224 -13.291 1.355 1.00 0.00 C ATOM 0 H VAL A 99 -6.176 -12.301 1.405 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.949 -12.455 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.654 -11.837 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.680 -13.665 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.293 -13.379 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.323 -14.768 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.649 -13.231 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.208 -14.316 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.784 -12.628 0.610 1.00 0.00 H new ATOM 1473 N GLY A 100 -4.067 -14.856 -1.101 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.207 -16.234 -1.534 1.00 0.00 C ATOM 1475 C GLY A 100 -3.621 -16.471 -2.912 1.00 0.00 C ATOM 1476 O GLY A 100 -3.716 -15.614 -3.789 1.00 0.00 O ATOM 0 H GLY A 100 -3.445 -14.287 -1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.714 -16.889 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.263 -16.504 -1.540 1.00 0.00 H new