USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 714 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 14 LYS NZ :NH3+ -173:sc= 0.479 (180deg=0.422) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 99:sc= 0.842 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc=-0.000364 F(o=-1,f=-0.00036) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -126:sc= 1.24 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0.462 (180deg=0.412) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.016) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 105:sc= 0.703 USER MOD Single : A 48 THR OG1 : rot -70:sc= 1.05 USER MOD Single : A 54 SER OG : rot -133:sc= 0.414 USER MOD Single : A 63 SER OG : rot -125:sc= 0.427 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 0.565 (180deg=0.476) USER MOD Single : A 72 LYS NZ :NH3+ -107:sc= 0.0092 (180deg=-0.204) USER MOD Single : A 73 LYS NZ :NH3+ -123:sc= 1.15 (180deg=-2.28!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00675 USER MOD Single : A 78 MET CE :methyl -162:sc= 0 (180deg=-0.452) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= -2.02! (180deg=-2.58!) USER MOD Single : A 88 SER OG : rot 128:sc= 1.88 USER MOD Single : A 89 ASN : amide:sc= 0.378 K(o=0.38,f=-4.7!) USER MOD Single : A 90 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.52!) USER MOD Single : A 93 MET CE :methyl 173:sc= -0.64 (180deg=-1.05) USER MOD Single : A 98 LYS NZ :NH3+ -148:sc=-0.00559 (180deg=-1.14) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 11.273 -2.990 3.122 1.00 0.00 N ATOM 84 CA PHE A 11 11.014 -2.724 1.690 1.00 0.00 C ATOM 85 C PHE A 11 9.512 -2.785 1.353 1.00 0.00 C ATOM 86 O PHE A 11 9.132 -2.900 0.187 1.00 0.00 O ATOM 87 CB PHE A 11 11.846 -3.671 0.783 1.00 0.00 C ATOM 88 CG PHE A 11 11.773 -5.163 1.085 1.00 0.00 C ATOM 89 CD1 PHE A 11 10.733 -5.952 0.608 1.00 0.00 C ATOM 90 CD2 PHE A 11 12.777 -5.788 1.818 1.00 0.00 C ATOM 91 CE1 PHE A 11 10.695 -7.306 0.866 1.00 0.00 C ATOM 92 CE2 PHE A 11 12.740 -7.138 2.071 1.00 0.00 C ATOM 93 CZ PHE A 11 11.702 -7.901 1.594 1.00 0.00 C ATOM 0 HA PHE A 11 11.339 -1.704 1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.527 -3.519 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.890 -3.365 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.944 -5.498 0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.601 -5.201 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.874 -7.902 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 11 13.529 -7.600 2.646 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.675 -8.963 1.789 1.00 0.00 H new ATOM 103 N VAL A 12 8.671 -2.689 2.382 1.00 0.00 N ATOM 104 CA VAL A 12 7.221 -2.492 2.235 1.00 0.00 C ATOM 105 C VAL A 12 6.896 -1.048 2.660 1.00 0.00 C ATOM 106 O VAL A 12 7.431 -0.570 3.667 1.00 0.00 O ATOM 107 CB VAL A 12 6.419 -3.523 3.124 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.882 -3.363 2.944 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.868 -4.973 2.810 1.00 0.00 C ATOM 0 H VAL A 12 8.976 -2.746 3.354 1.00 0.00 H new ATOM 0 HA VAL A 12 6.926 -2.659 1.199 1.00 0.00 H new ATOM 0 HB VAL A 12 6.645 -3.309 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.365 -4.089 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.585 -2.355 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.618 -3.532 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.306 -5.670 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.682 -5.192 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.933 -5.078 3.019 1.00 0.00 H new ATOM 119 N VAL A 13 6.086 -0.331 1.866 1.00 0.00 N ATOM 120 CA VAL A 13 5.550 0.991 2.259 1.00 0.00 C ATOM 121 C VAL A 13 4.147 0.855 2.852 1.00 0.00 C ATOM 122 O VAL A 13 3.427 -0.108 2.559 1.00 0.00 O ATOM 123 CB VAL A 13 5.506 2.005 1.053 1.00 0.00 C ATOM 124 CG1 VAL A 13 6.926 2.370 0.587 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.658 1.474 -0.131 1.00 0.00 C ATOM 0 H VAL A 13 5.784 -0.642 0.943 1.00 0.00 H new ATOM 0 HA VAL A 13 6.232 1.388 3.011 1.00 0.00 H new ATOM 0 HB VAL A 13 5.018 2.909 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.867 3.071 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.472 2.830 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.447 1.468 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.658 2.208 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.084 0.538 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.635 1.302 0.203 1.00 0.00 H new ATOM 135 N LYS A 14 3.762 1.834 3.684 1.00 0.00 N ATOM 136 CA LYS A 14 2.420 1.925 4.262 1.00 0.00 C ATOM 137 C LYS A 14 1.700 3.101 3.602 1.00 0.00 C ATOM 138 O LYS A 14 2.130 4.243 3.729 1.00 0.00 O ATOM 139 CB LYS A 14 2.500 2.104 5.803 1.00 0.00 C ATOM 140 CG LYS A 14 1.128 2.251 6.511 1.00 0.00 C ATOM 141 CD LYS A 14 1.221 2.121 8.053 1.00 0.00 C ATOM 142 CE LYS A 14 2.156 3.154 8.707 1.00 0.00 C ATOM 143 NZ LYS A 14 2.282 2.932 10.170 1.00 0.00 N ATOM 0 H LYS A 14 4.382 2.590 3.975 1.00 0.00 H new ATOM 0 HA LYS A 14 1.864 1.006 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.023 1.247 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.103 2.986 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.698 3.221 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.446 1.492 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.223 2.227 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.569 1.119 8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.141 3.097 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.774 4.158 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.822 3.713 10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.335 2.893 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.778 2.034 10.343 1.00 0.00 H new ATOM 157 N VAL A 15 0.605 2.801 2.904 1.00 0.00 N ATOM 158 CA VAL A 15 -0.153 3.774 2.105 1.00 0.00 C ATOM 159 C VAL A 15 -1.443 4.120 2.851 1.00 0.00 C ATOM 160 O VAL A 15 -2.086 3.246 3.422 1.00 0.00 O ATOM 161 CB VAL A 15 -0.490 3.212 0.669 1.00 0.00 C ATOM 162 CG1 VAL A 15 -1.277 4.239 -0.195 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.802 2.760 -0.053 1.00 0.00 C ATOM 0 H VAL A 15 0.210 1.861 2.875 1.00 0.00 H new ATOM 0 HA VAL A 15 0.457 4.667 1.968 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.139 2.346 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.486 3.807 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.216 4.487 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.681 5.144 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.551 2.375 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.478 3.609 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.289 1.977 0.528 1.00 0.00 H new ATOM 173 N ARG A 16 -1.780 5.404 2.875 1.00 0.00 N ATOM 174 CA ARG A 16 -3.058 5.908 3.393 1.00 0.00 C ATOM 175 C ARG A 16 -3.518 7.030 2.471 1.00 0.00 C ATOM 176 O ARG A 16 -2.740 7.905 2.149 1.00 0.00 O ATOM 177 CB ARG A 16 -2.895 6.416 4.846 1.00 0.00 C ATOM 178 CG ARG A 16 -4.188 6.980 5.479 1.00 0.00 C ATOM 179 CD ARG A 16 -3.968 7.455 6.919 1.00 0.00 C ATOM 180 NE ARG A 16 -3.480 6.366 7.784 1.00 0.00 N ATOM 181 CZ ARG A 16 -2.549 6.484 8.738 1.00 0.00 C ATOM 182 NH1 ARG A 16 -1.913 7.639 8.949 1.00 0.00 N ATOM 183 NH2 ARG A 16 -2.239 5.429 9.464 1.00 0.00 N ATOM 0 H ARG A 16 -1.166 6.142 2.530 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.802 5.112 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.531 5.596 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.130 7.192 4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.553 7.811 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.962 6.212 5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.250 8.275 6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.903 7.847 7.320 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.888 5.442 7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.133 8.454 8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.207 7.706 9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.707 4.538 9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.531 5.503 10.195 1.00 0.00 H new ATOM 197 N GLY A 17 -4.790 7.030 2.089 1.00 0.00 N ATOM 198 CA GLY A 17 -5.262 7.905 1.030 1.00 0.00 C ATOM 199 C GLY A 17 -5.655 7.113 -0.196 1.00 0.00 C ATOM 200 O GLY A 17 -4.899 7.013 -1.169 1.00 0.00 O ATOM 0 H GLY A 17 -5.510 6.434 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.117 8.481 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.482 8.620 0.770 1.00 0.00 H new ATOM 204 N LEU A 18 -6.875 6.581 -0.132 1.00 0.00 N ATOM 205 CA LEU A 18 -7.402 5.635 -1.124 1.00 0.00 C ATOM 206 C LEU A 18 -8.874 5.970 -1.408 1.00 0.00 C ATOM 207 O LEU A 18 -9.629 6.269 -0.472 1.00 0.00 O ATOM 208 CB LEU A 18 -7.263 4.153 -0.652 1.00 0.00 C ATOM 209 CG LEU A 18 -5.806 3.590 -0.553 1.00 0.00 C ATOM 210 CD1 LEU A 18 -5.817 2.144 -0.029 1.00 0.00 C ATOM 211 CD2 LEU A 18 -5.061 3.690 -1.912 1.00 0.00 C ATOM 0 H LEU A 18 -7.535 6.795 0.616 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.814 5.735 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.733 4.060 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.828 3.521 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.259 4.206 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.794 1.771 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.272 2.119 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.392 1.515 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.053 3.290 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.601 3.117 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.006 4.734 -2.221 1.00 0.00 H new ATOM 223 N PRO A 19 -9.299 5.984 -2.701 1.00 0.00 N ATOM 224 CA PRO A 19 -10.704 5.747 -3.042 1.00 0.00 C ATOM 225 C PRO A 19 -11.056 4.288 -2.664 1.00 0.00 C ATOM 226 O PRO A 19 -10.315 3.366 -2.994 1.00 0.00 O ATOM 227 CB PRO A 19 -10.768 6.006 -4.572 1.00 0.00 C ATOM 228 CG PRO A 19 -9.350 5.838 -5.050 1.00 0.00 C ATOM 229 CD PRO A 19 -8.467 6.273 -3.900 1.00 0.00 C ATOM 0 HA PRO A 19 -11.418 6.382 -2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.438 5.301 -5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.143 7.006 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.151 4.802 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.163 6.444 -5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.529 5.719 -3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.211 7.330 -3.967 1.00 0.00 H new ATOM 237 N TRP A 20 -12.174 4.100 -1.957 1.00 0.00 N ATOM 238 CA TRP A 20 -12.599 2.782 -1.428 1.00 0.00 C ATOM 239 C TRP A 20 -12.891 1.789 -2.573 1.00 0.00 C ATOM 240 O TRP A 20 -12.783 0.575 -2.398 1.00 0.00 O ATOM 241 CB TRP A 20 -13.842 2.961 -0.518 1.00 0.00 C ATOM 242 CG TRP A 20 -13.579 3.775 0.737 1.00 0.00 C ATOM 243 CD1 TRP A 20 -13.351 3.290 1.991 1.00 0.00 C ATOM 244 CD2 TRP A 20 -13.516 5.209 0.854 1.00 0.00 C ATOM 245 NE1 TRP A 20 -13.159 4.318 2.873 1.00 0.00 N ATOM 246 CE2 TRP A 20 -13.247 5.503 2.202 1.00 0.00 C ATOM 247 CE3 TRP A 20 -13.648 6.273 -0.047 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -13.130 6.804 2.673 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -13.523 7.565 0.419 1.00 0.00 C ATOM 250 CH2 TRP A 20 -13.266 7.822 1.768 1.00 0.00 C ATOM 0 H TRP A 20 -12.820 4.856 -1.729 1.00 0.00 H new ATOM 0 HA TRP A 20 -11.785 2.364 -0.836 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.633 3.444 -1.092 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.212 1.977 -0.229 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -13.326 2.242 2.251 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.979 4.215 3.872 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -13.845 6.084 -1.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.938 7.006 3.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -13.625 8.391 -0.269 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -13.173 8.844 2.104 1.00 0.00 H new ATOM 261 N SER A 21 -13.225 2.336 -3.747 1.00 0.00 N ATOM 262 CA SER A 21 -13.544 1.559 -4.950 1.00 0.00 C ATOM 263 C SER A 21 -12.320 1.438 -5.893 1.00 0.00 C ATOM 264 O SER A 21 -12.479 1.250 -7.112 1.00 0.00 O ATOM 265 CB SER A 21 -14.736 2.243 -5.654 1.00 0.00 C ATOM 266 OG SER A 21 -15.806 2.471 -4.747 1.00 0.00 O ATOM 0 H SER A 21 -13.282 3.344 -3.890 1.00 0.00 H new ATOM 0 HA SER A 21 -13.812 0.540 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.412 3.191 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.081 1.620 -6.479 1.00 0.00 H new ATOM 0 HG SER A 21 -16.547 2.906 -5.218 1.00 0.00 H new ATOM 272 N CYS A 22 -11.095 1.514 -5.318 1.00 0.00 N ATOM 273 CA CYS A 22 -9.836 1.405 -6.080 1.00 0.00 C ATOM 274 C CYS A 22 -9.511 -0.056 -6.405 1.00 0.00 C ATOM 275 O CYS A 22 -9.947 -0.975 -5.711 1.00 0.00 O ATOM 276 CB CYS A 22 -8.657 2.010 -5.279 1.00 0.00 C ATOM 277 SG CYS A 22 -8.364 1.208 -3.689 1.00 0.00 S ATOM 0 H CYS A 22 -10.957 1.652 -4.317 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.972 1.958 -7.009 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.750 1.944 -5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.851 3.069 -5.110 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.390 0.355 -3.806 1.00 0.00 H new ATOM 283 N SER A 23 -8.737 -0.236 -7.474 1.00 0.00 N ATOM 284 CA SER A 23 -8.161 -1.527 -7.871 1.00 0.00 C ATOM 285 C SER A 23 -6.657 -1.544 -7.540 1.00 0.00 C ATOM 286 O SER A 23 -6.040 -0.481 -7.360 1.00 0.00 O ATOM 287 CB SER A 23 -8.384 -1.759 -9.384 1.00 0.00 C ATOM 288 OG SER A 23 -9.762 -1.722 -9.719 1.00 0.00 O ATOM 0 H SER A 23 -8.485 0.526 -8.104 1.00 0.00 H new ATOM 0 HA SER A 23 -8.653 -2.329 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.850 -0.997 -9.952 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.965 -2.723 -9.671 1.00 0.00 H new ATOM 0 HG SER A 23 -9.869 -1.870 -10.682 1.00 0.00 H new ATOM 294 N ALA A 24 -6.078 -2.756 -7.430 1.00 0.00 N ATOM 295 CA ALA A 24 -4.616 -2.950 -7.333 1.00 0.00 C ATOM 296 C ALA A 24 -3.895 -2.265 -8.507 1.00 0.00 C ATOM 297 O ALA A 24 -2.852 -1.667 -8.320 1.00 0.00 O ATOM 298 CB ALA A 24 -4.270 -4.448 -7.266 1.00 0.00 C ATOM 0 H ALA A 24 -6.609 -3.627 -7.406 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.269 -2.484 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.189 -4.569 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.743 -4.892 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.632 -4.946 -8.165 1.00 0.00 H new ATOM 304 N ASP A 25 -4.510 -2.344 -9.706 1.00 0.00 N ATOM 305 CA ASP A 25 -4.032 -1.657 -10.931 1.00 0.00 C ATOM 306 C ASP A 25 -3.888 -0.135 -10.725 1.00 0.00 C ATOM 307 O ASP A 25 -2.981 0.471 -11.284 1.00 0.00 O ATOM 308 CB ASP A 25 -4.982 -1.928 -12.124 1.00 0.00 C ATOM 309 CG ASP A 25 -5.035 -3.407 -12.539 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.186 -3.846 -13.351 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.915 -4.144 -12.040 1.00 0.00 O ATOM 0 H ASP A 25 -5.359 -2.890 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.046 -2.065 -11.152 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.986 -1.596 -11.862 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.661 -1.330 -12.977 1.00 0.00 H new ATOM 316 N GLU A 26 -4.794 0.474 -9.933 1.00 0.00 N ATOM 317 CA GLU A 26 -4.756 1.924 -9.643 1.00 0.00 C ATOM 318 C GLU A 26 -3.486 2.306 -8.852 1.00 0.00 C ATOM 319 O GLU A 26 -2.773 3.252 -9.208 1.00 0.00 O ATOM 320 CB GLU A 26 -6.036 2.356 -8.878 1.00 0.00 C ATOM 321 CG GLU A 26 -7.350 2.172 -9.672 1.00 0.00 C ATOM 322 CD GLU A 26 -7.383 2.958 -10.996 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.589 4.192 -10.958 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.191 2.357 -12.075 1.00 0.00 O ATOM 0 H GLU A 26 -5.565 -0.018 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.723 2.458 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.102 1.783 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.940 3.405 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.492 1.112 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.188 2.487 -9.050 1.00 0.00 H new ATOM 331 N VAL A 27 -3.209 1.531 -7.798 1.00 0.00 N ATOM 332 CA VAL A 27 -2.057 1.765 -6.897 1.00 0.00 C ATOM 333 C VAL A 27 -0.749 1.268 -7.561 1.00 0.00 C ATOM 334 O VAL A 27 0.348 1.760 -7.257 1.00 0.00 O ATOM 335 CB VAL A 27 -2.297 1.061 -5.509 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.147 1.341 -4.508 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.663 1.487 -4.918 1.00 0.00 C ATOM 0 H VAL A 27 -3.773 0.721 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.958 2.835 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.311 -0.015 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.355 0.836 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.208 0.970 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.068 2.414 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.815 0.992 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.677 2.568 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.461 1.202 -5.604 1.00 0.00 H new ATOM 347 N GLN A 28 -0.895 0.309 -8.496 1.00 0.00 N ATOM 348 CA GLN A 28 0.230 -0.270 -9.255 1.00 0.00 C ATOM 349 C GLN A 28 0.765 0.748 -10.246 1.00 0.00 C ATOM 350 O GLN A 28 1.963 0.984 -10.306 1.00 0.00 O ATOM 351 CB GLN A 28 -0.194 -1.562 -10.000 1.00 0.00 C ATOM 352 CG GLN A 28 0.930 -2.230 -10.820 1.00 0.00 C ATOM 353 CD GLN A 28 0.438 -3.411 -11.643 1.00 0.00 C ATOM 354 OE1 GLN A 28 0.521 -4.605 -11.091 1.00 0.00 O flip ATOM 355 NE2 GLN A 28 -0.006 -3.246 -12.778 1.00 0.00 N flip ATOM 0 H GLN A 28 -1.801 -0.087 -8.747 1.00 0.00 H new ATOM 0 HA GLN A 28 1.014 -0.534 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.569 -2.280 -9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.022 -1.325 -10.669 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.377 -1.491 -11.485 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.716 -2.567 -10.144 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.056 -2.308 -13.175 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.324 -4.048 -13.323 1.00 0.00 H new ATOM 364 N ARG A 29 -0.163 1.341 -11.018 1.00 0.00 N ATOM 365 CA ARG A 29 0.143 2.405 -11.980 1.00 0.00 C ATOM 366 C ARG A 29 0.806 3.597 -11.264 1.00 0.00 C ATOM 367 O ARG A 29 1.781 4.163 -11.761 1.00 0.00 O ATOM 368 CB ARG A 29 -1.163 2.846 -12.702 1.00 0.00 C ATOM 369 CG ARG A 29 -0.975 3.855 -13.860 1.00 0.00 C ATOM 370 CD ARG A 29 -0.212 3.265 -15.064 1.00 0.00 C ATOM 371 NE ARG A 29 -0.070 4.245 -16.170 1.00 0.00 N ATOM 372 CZ ARG A 29 0.827 4.174 -17.170 1.00 0.00 C ATOM 373 NH1 ARG A 29 1.684 3.164 -17.253 1.00 0.00 N ATOM 374 NH2 ARG A 29 0.848 5.125 -18.095 1.00 0.00 N ATOM 0 H ARG A 29 -1.151 1.091 -10.989 1.00 0.00 H new ATOM 0 HA ARG A 29 0.844 2.029 -12.725 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.659 1.958 -13.094 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.834 3.286 -11.965 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.953 4.202 -14.193 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.437 4.727 -13.489 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.776 2.938 -14.741 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.737 2.382 -15.428 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.708 5.041 -16.172 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.670 2.424 -16.551 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.357 3.128 -18.019 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.188 5.901 -18.044 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.524 5.080 -18.857 1.00 0.00 H new ATOM 388 N PHE A 30 0.286 3.921 -10.061 1.00 0.00 N ATOM 389 CA PHE A 30 0.800 5.018 -9.226 1.00 0.00 C ATOM 390 C PHE A 30 2.283 4.769 -8.873 1.00 0.00 C ATOM 391 O PHE A 30 3.153 5.583 -9.190 1.00 0.00 O ATOM 392 CB PHE A 30 -0.067 5.162 -7.943 1.00 0.00 C ATOM 393 CG PHE A 30 0.224 6.424 -7.130 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.448 7.617 -7.401 1.00 0.00 C ATOM 395 CD2 PHE A 30 1.176 6.426 -6.109 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.172 8.765 -6.686 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.456 7.574 -5.396 1.00 0.00 C ATOM 398 CZ PHE A 30 0.779 8.741 -5.684 1.00 0.00 C ATOM 0 H PHE A 30 -0.503 3.426 -9.645 1.00 0.00 H new ATOM 0 HA PHE A 30 0.739 5.952 -9.784 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.119 5.160 -8.227 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.094 4.290 -7.309 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.194 7.642 -8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.703 5.513 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.699 9.681 -6.910 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.202 7.559 -4.615 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.993 9.639 -5.124 1.00 0.00 H new ATOM 408 N PHE A 31 2.559 3.604 -8.266 1.00 0.00 N ATOM 409 CA PHE A 31 3.920 3.217 -7.833 1.00 0.00 C ATOM 410 C PHE A 31 4.648 2.369 -8.907 1.00 0.00 C ATOM 411 O PHE A 31 5.561 1.623 -8.567 1.00 0.00 O ATOM 412 CB PHE A 31 3.856 2.441 -6.481 1.00 0.00 C ATOM 413 CG PHE A 31 3.398 3.265 -5.275 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.186 4.309 -4.787 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.192 2.996 -4.624 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.790 5.049 -3.687 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.795 3.737 -3.523 1.00 0.00 C ATOM 418 CZ PHE A 31 2.590 4.767 -3.058 1.00 0.00 C ATOM 0 H PHE A 31 1.849 2.901 -8.060 1.00 0.00 H new ATOM 0 HA PHE A 31 4.494 4.133 -7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.181 1.594 -6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.844 2.034 -6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.120 4.543 -5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.559 2.198 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.418 5.847 -3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.863 3.509 -3.027 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.276 5.351 -2.205 1.00 0.00 H new ATOM 428 N SER A 32 4.270 2.528 -10.196 1.00 0.00 N ATOM 429 CA SER A 32 4.849 1.730 -11.315 1.00 0.00 C ATOM 430 C SER A 32 6.358 1.985 -11.523 1.00 0.00 C ATOM 431 O SER A 32 7.047 1.152 -12.125 1.00 0.00 O ATOM 432 CB SER A 32 4.074 2.007 -12.622 1.00 0.00 C ATOM 433 OG SER A 32 4.456 1.129 -13.676 1.00 0.00 O ATOM 0 H SER A 32 3.565 3.202 -10.493 1.00 0.00 H new ATOM 0 HA SER A 32 4.745 0.680 -11.040 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.005 1.904 -12.436 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.246 3.038 -12.931 1.00 0.00 H new ATOM 0 HG SER A 32 3.939 1.340 -14.481 1.00 0.00 H new ATOM 439 N ASP A 33 6.854 3.139 -11.046 1.00 0.00 N ATOM 440 CA ASP A 33 8.292 3.498 -11.115 1.00 0.00 C ATOM 441 C ASP A 33 9.083 2.542 -10.206 1.00 0.00 C ATOM 442 O ASP A 33 10.164 2.055 -10.566 1.00 0.00 O ATOM 443 CB ASP A 33 8.523 4.971 -10.669 1.00 0.00 C ATOM 444 CG ASP A 33 7.444 5.933 -11.193 1.00 0.00 C ATOM 445 OD1 ASP A 33 6.384 6.064 -10.532 1.00 0.00 O ATOM 446 OD2 ASP A 33 7.629 6.541 -12.268 1.00 0.00 O ATOM 0 H ASP A 33 6.276 3.852 -10.601 1.00 0.00 H new ATOM 0 HA ASP A 33 8.634 3.405 -12.146 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.545 5.016 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.500 5.303 -11.021 1.00 0.00 H new ATOM 451 N CYS A 34 8.508 2.306 -9.014 1.00 0.00 N ATOM 452 CA CYS A 34 8.972 1.294 -8.067 1.00 0.00 C ATOM 453 C CYS A 34 8.562 -0.092 -8.571 1.00 0.00 C ATOM 454 O CYS A 34 7.463 -0.271 -9.111 1.00 0.00 O ATOM 455 CB CYS A 34 8.377 1.564 -6.666 1.00 0.00 C ATOM 456 SG CYS A 34 8.834 3.173 -5.975 1.00 0.00 S ATOM 0 H CYS A 34 7.695 2.825 -8.682 1.00 0.00 H new ATOM 0 HA CYS A 34 10.058 1.337 -7.988 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.290 1.500 -6.725 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.706 0.780 -5.984 1.00 0.00 H new ATOM 0 HG CYS A 34 9.357 3.006 -4.796 1.00 0.00 H new ATOM 462 N LYS A 35 9.455 -1.066 -8.418 1.00 0.00 N ATOM 463 CA LYS A 35 9.181 -2.441 -8.822 1.00 0.00 C ATOM 464 C LYS A 35 8.428 -3.123 -7.677 1.00 0.00 C ATOM 465 O LYS A 35 9.032 -3.614 -6.730 1.00 0.00 O ATOM 466 CB LYS A 35 10.489 -3.191 -9.209 1.00 0.00 C ATOM 467 CG LYS A 35 11.121 -2.747 -10.557 1.00 0.00 C ATOM 468 CD LYS A 35 11.594 -1.275 -10.558 1.00 0.00 C ATOM 469 CE LYS A 35 12.145 -0.796 -11.900 1.00 0.00 C ATOM 470 NZ LYS A 35 12.563 0.626 -11.818 1.00 0.00 N ATOM 0 H LYS A 35 10.381 -0.926 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 35 8.562 -2.458 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.222 -3.047 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.278 -4.259 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.969 -3.394 -10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.392 -2.887 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.758 -0.636 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.364 -1.152 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.994 -1.414 -12.191 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.386 -0.913 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.774 0.981 -12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.795 1.190 -11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.413 0.704 -11.224 1.00 0.00 H new ATOM 484 N ILE A 36 7.091 -3.044 -7.742 1.00 0.00 N ATOM 485 CA ILE A 36 6.206 -3.636 -6.732 1.00 0.00 C ATOM 486 C ILE A 36 6.362 -5.160 -6.756 1.00 0.00 C ATOM 487 O ILE A 36 6.174 -5.781 -7.811 1.00 0.00 O ATOM 488 CB ILE A 36 4.706 -3.229 -6.972 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.568 -1.673 -7.042 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.786 -3.814 -5.870 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.157 -1.171 -7.316 1.00 0.00 C ATOM 0 H ILE A 36 6.595 -2.568 -8.496 1.00 0.00 H new ATOM 0 HA ILE A 36 6.491 -3.255 -5.751 1.00 0.00 H new ATOM 0 HB ILE A 36 4.389 -3.648 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.913 -1.249 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.230 -1.298 -7.822 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.755 -3.517 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.857 -4.902 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.098 -3.436 -4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.158 -0.081 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.812 -1.561 -8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.490 -1.511 -6.524 1.00 0.00 H new ATOM 503 N GLN A 37 6.744 -5.734 -5.599 1.00 0.00 N ATOM 504 CA GLN A 37 6.991 -7.174 -5.447 1.00 0.00 C ATOM 505 C GLN A 37 5.724 -7.976 -5.788 1.00 0.00 C ATOM 506 O GLN A 37 4.659 -7.705 -5.235 1.00 0.00 O ATOM 507 CB GLN A 37 7.460 -7.491 -4.001 1.00 0.00 C ATOM 508 CG GLN A 37 7.684 -8.993 -3.708 1.00 0.00 C ATOM 509 CD GLN A 37 8.184 -9.275 -2.291 1.00 0.00 C ATOM 510 OE1 GLN A 37 8.889 -8.464 -1.687 1.00 0.00 O ATOM 511 NE2 GLN A 37 7.835 -10.434 -1.747 1.00 0.00 N ATOM 0 H GLN A 37 6.890 -5.204 -4.740 1.00 0.00 H new ATOM 0 HA GLN A 37 7.780 -7.465 -6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.390 -6.955 -3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.719 -7.105 -3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.748 -9.529 -3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.404 -9.390 -4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.251 -11.087 -2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.151 -10.672 -0.807 1.00 0.00 H new ATOM 520 N ASN A 38 5.863 -8.919 -6.747 1.00 0.00 N ATOM 521 CA ASN A 38 4.760 -9.788 -7.234 1.00 0.00 C ATOM 522 C ASN A 38 3.653 -8.953 -7.940 1.00 0.00 C ATOM 523 O ASN A 38 2.513 -9.413 -8.094 1.00 0.00 O ATOM 524 CB ASN A 38 4.176 -10.646 -6.063 1.00 0.00 C ATOM 525 CG ASN A 38 5.219 -11.525 -5.353 1.00 0.00 C ATOM 526 OD1 ASN A 38 5.184 -11.689 -4.137 1.00 0.00 O ATOM 527 ND2 ASN A 38 6.149 -12.102 -6.102 1.00 0.00 N ATOM 0 H ASN A 38 6.752 -9.102 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 38 5.169 -10.472 -7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.718 -9.980 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.383 -11.284 -6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.856 -12.697 -5.669 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.158 -11.951 -7.111 1.00 0.00 H new ATOM 534 N GLY A 39 4.029 -7.730 -8.383 1.00 0.00 N ATOM 535 CA GLY A 39 3.126 -6.817 -9.094 1.00 0.00 C ATOM 536 C GLY A 39 1.909 -6.418 -8.268 1.00 0.00 C ATOM 537 O GLY A 39 2.041 -6.040 -7.102 1.00 0.00 O ATOM 0 H GLY A 39 4.969 -7.356 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.676 -5.919 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.792 -7.291 -10.017 1.00 0.00 H new ATOM 541 N ALA A 40 0.717 -6.527 -8.879 1.00 0.00 N ATOM 542 CA ALA A 40 -0.584 -6.233 -8.231 1.00 0.00 C ATOM 543 C ALA A 40 -0.780 -6.977 -6.897 1.00 0.00 C ATOM 544 O ALA A 40 -1.467 -6.482 -5.994 1.00 0.00 O ATOM 545 CB ALA A 40 -1.711 -6.616 -9.193 1.00 0.00 C ATOM 0 H ALA A 40 0.623 -6.825 -9.850 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.600 -5.167 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.674 -6.405 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.617 -6.038 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.646 -7.679 -9.425 1.00 0.00 H new ATOM 551 N GLN A 41 -0.165 -8.162 -6.793 1.00 0.00 N ATOM 552 CA GLN A 41 -0.352 -9.066 -5.648 1.00 0.00 C ATOM 553 C GLN A 41 0.405 -8.559 -4.400 1.00 0.00 C ATOM 554 O GLN A 41 0.037 -8.887 -3.272 1.00 0.00 O ATOM 555 CB GLN A 41 0.116 -10.485 -6.051 1.00 0.00 C ATOM 556 CG GLN A 41 -0.453 -11.634 -5.204 1.00 0.00 C ATOM 557 CD GLN A 41 -0.108 -13.005 -5.787 1.00 0.00 C ATOM 558 OE1 GLN A 41 0.877 -13.632 -5.397 1.00 0.00 O ATOM 559 NE2 GLN A 41 -0.866 -13.426 -6.787 1.00 0.00 N ATOM 0 H GLN A 41 0.476 -8.522 -7.500 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.409 -9.096 -5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.155 -10.656 -7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.204 -10.520 -5.995 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.062 -11.564 -4.189 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.536 -11.532 -5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.674 -12.877 -7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.642 -14.299 -7.264 1.00 0.00 H new ATOM 568 N GLY A 42 1.426 -7.714 -4.631 1.00 0.00 N ATOM 569 CA GLY A 42 2.176 -7.073 -3.548 1.00 0.00 C ATOM 570 C GLY A 42 1.370 -5.988 -2.847 1.00 0.00 C ATOM 571 O GLY A 42 1.655 -5.624 -1.702 1.00 0.00 O ATOM 0 H GLY A 42 1.748 -7.461 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.474 -7.828 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.091 -6.639 -3.951 1.00 0.00 H new ATOM 575 N ILE A 43 0.352 -5.470 -3.550 1.00 0.00 N ATOM 576 CA ILE A 43 -0.544 -4.436 -3.035 1.00 0.00 C ATOM 577 C ILE A 43 -1.654 -5.104 -2.204 1.00 0.00 C ATOM 578 O ILE A 43 -2.398 -5.960 -2.701 1.00 0.00 O ATOM 579 CB ILE A 43 -1.141 -3.608 -4.221 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.015 -3.062 -5.108 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.051 -2.466 -3.713 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.426 -2.397 -6.387 1.00 0.00 C ATOM 0 H ILE A 43 0.129 -5.763 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 43 0.007 -3.748 -2.394 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.768 -4.264 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.594 -2.346 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.684 -3.886 -5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.448 -1.912 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.875 -2.886 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.472 -1.793 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.449 -2.049 -6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.978 -3.112 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.068 -1.548 -6.153 1.00 0.00 H new ATOM 594 N ARG A 44 -1.732 -4.706 -0.938 1.00 0.00 N ATOM 595 CA ARG A 44 -2.569 -5.361 0.078 1.00 0.00 C ATOM 596 C ARG A 44 -3.442 -4.324 0.784 1.00 0.00 C ATOM 597 O ARG A 44 -2.996 -3.658 1.714 1.00 0.00 O ATOM 598 CB ARG A 44 -1.650 -6.108 1.082 1.00 0.00 C ATOM 599 CG ARG A 44 -0.857 -7.286 0.459 1.00 0.00 C ATOM 600 CD ARG A 44 0.233 -7.834 1.387 1.00 0.00 C ATOM 601 NE ARG A 44 0.688 -9.168 0.970 1.00 0.00 N ATOM 602 CZ ARG A 44 1.454 -9.985 1.703 1.00 0.00 C ATOM 603 NH1 ARG A 44 1.973 -9.583 2.865 1.00 0.00 N ATOM 604 NH2 ARG A 44 1.726 -11.192 1.250 1.00 0.00 N ATOM 0 H ARG A 44 -1.210 -3.908 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.234 -6.085 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.945 -5.396 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.259 -6.488 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.549 -8.089 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.400 -6.955 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.080 -7.148 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.149 -7.883 2.407 1.00 0.00 H new ATOM 0 HE ARG A 44 0.397 -9.497 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.788 -8.640 3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.555 -10.219 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.354 -11.495 0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.309 -11.824 1.800 1.00 0.00 H new ATOM 618 N PHE A 45 -4.693 -4.194 0.326 1.00 0.00 N ATOM 619 CA PHE A 45 -5.651 -3.233 0.889 1.00 0.00 C ATOM 620 C PHE A 45 -6.187 -3.770 2.224 1.00 0.00 C ATOM 621 O PHE A 45 -6.582 -4.937 2.303 1.00 0.00 O ATOM 622 CB PHE A 45 -6.829 -2.988 -0.082 1.00 0.00 C ATOM 623 CG PHE A 45 -6.416 -2.517 -1.474 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.142 -1.173 -1.718 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.299 -3.416 -2.536 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.773 -0.744 -2.974 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.928 -2.984 -3.793 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.663 -1.645 -4.011 1.00 0.00 C ATOM 0 H PHE A 45 -5.069 -4.749 -0.442 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.137 -2.285 1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.401 -3.911 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.496 -2.245 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.220 -0.458 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.502 -4.464 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.569 0.302 -3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.845 -3.691 -4.605 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.370 -1.305 -4.993 1.00 0.00 H new ATOM 638 N ILE A 46 -6.194 -2.921 3.262 1.00 0.00 N ATOM 639 CA ILE A 46 -6.723 -3.288 4.578 1.00 0.00 C ATOM 640 C ILE A 46 -8.255 -3.190 4.544 1.00 0.00 C ATOM 641 O ILE A 46 -8.831 -2.149 4.871 1.00 0.00 O ATOM 642 CB ILE A 46 -6.098 -2.373 5.700 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.539 -2.487 5.683 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.660 -2.707 7.105 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.014 -3.902 5.857 1.00 0.00 C ATOM 0 H ILE A 46 -5.835 -1.968 3.211 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.447 -4.315 4.818 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.380 -1.343 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.167 -2.088 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.132 -1.861 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.201 -2.052 7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.740 -2.559 7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.435 -3.745 7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.924 -3.891 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.352 -4.301 6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.388 -4.531 5.049 1.00 0.00 H new ATOM 657 N TYR A 47 -8.898 -4.274 4.059 1.00 0.00 N ATOM 658 CA TYR A 47 -10.364 -4.375 3.994 1.00 0.00 C ATOM 659 C TYR A 47 -10.923 -4.578 5.398 1.00 0.00 C ATOM 660 O TYR A 47 -10.309 -5.259 6.218 1.00 0.00 O ATOM 661 CB TYR A 47 -10.812 -5.541 3.071 1.00 0.00 C ATOM 662 CG TYR A 47 -10.393 -5.379 1.605 1.00 0.00 C ATOM 663 CD1 TYR A 47 -11.026 -4.449 0.776 1.00 0.00 C ATOM 664 CD2 TYR A 47 -9.357 -6.142 1.059 1.00 0.00 C ATOM 665 CE1 TYR A 47 -10.647 -4.297 -0.539 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.976 -5.986 -0.255 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.621 -5.063 -1.046 1.00 0.00 C ATOM 668 OH TYR A 47 -9.233 -4.902 -2.353 1.00 0.00 O ATOM 0 H TYR A 47 -8.414 -5.098 3.704 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.752 -3.448 3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.397 -6.473 3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.897 -5.631 3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.825 -3.840 1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.847 -6.866 1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.152 -3.580 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.175 -6.585 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.383 -4.415 -2.384 1.00 0.00 H new ATOM 678 N THR A 48 -12.082 -3.980 5.662 1.00 0.00 N ATOM 679 CA THR A 48 -12.767 -4.077 6.954 1.00 0.00 C ATOM 680 C THR A 48 -13.860 -5.152 6.873 1.00 0.00 C ATOM 681 O THR A 48 -14.084 -5.758 5.812 1.00 0.00 O ATOM 682 CB THR A 48 -13.400 -2.697 7.342 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.385 -2.312 6.362 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.333 -1.592 7.451 1.00 0.00 C ATOM 0 H THR A 48 -12.579 -3.408 4.980 1.00 0.00 H new ATOM 0 HA THR A 48 -12.043 -4.352 7.721 1.00 0.00 H new ATOM 0 HB THR A 48 -13.871 -2.815 8.318 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.937 -2.084 5.521 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.811 -0.650 7.722 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.606 -1.863 8.216 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.826 -1.480 6.492 1.00 0.00 H new ATOM 692 N ARG A 49 -14.561 -5.362 7.997 1.00 0.00 N ATOM 693 CA ARG A 49 -15.742 -6.255 8.074 1.00 0.00 C ATOM 694 C ARG A 49 -16.952 -5.678 7.291 1.00 0.00 C ATOM 695 O ARG A 49 -17.972 -6.358 7.114 1.00 0.00 O ATOM 696 CB ARG A 49 -16.104 -6.489 9.569 1.00 0.00 C ATOM 697 CG ARG A 49 -16.452 -5.200 10.347 1.00 0.00 C ATOM 698 CD ARG A 49 -16.629 -5.429 11.855 1.00 0.00 C ATOM 699 NE ARG A 49 -16.821 -4.154 12.577 1.00 0.00 N ATOM 700 CZ ARG A 49 -17.367 -4.029 13.792 1.00 0.00 C ATOM 701 NH1 ARG A 49 -17.849 -5.086 14.436 1.00 0.00 N ATOM 702 NH2 ARG A 49 -17.431 -2.836 14.360 1.00 0.00 N ATOM 0 H ARG A 49 -14.329 -4.918 8.886 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.493 -7.207 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.951 -7.172 9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.265 -6.982 10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.663 -4.464 10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.370 -4.776 9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.487 -6.079 12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.754 -5.945 12.251 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.512 -3.300 12.112 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.806 -6.009 14.005 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.262 -4.974 15.362 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.065 -2.018 13.872 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.846 -2.734 15.286 1.00 0.00 H new ATOM 716 N GLU A 50 -16.827 -4.415 6.837 1.00 0.00 N ATOM 717 CA GLU A 50 -17.845 -3.725 6.025 1.00 0.00 C ATOM 718 C GLU A 50 -17.697 -4.108 4.532 1.00 0.00 C ATOM 719 O GLU A 50 -18.607 -3.881 3.734 1.00 0.00 O ATOM 720 CB GLU A 50 -17.696 -2.189 6.231 1.00 0.00 C ATOM 721 CG GLU A 50 -18.810 -1.315 5.618 1.00 0.00 C ATOM 722 CD GLU A 50 -20.217 -1.668 6.135 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.504 -1.414 7.321 1.00 0.00 O ATOM 724 OE2 GLU A 50 -21.031 -2.210 5.363 1.00 0.00 O ATOM 0 H GLU A 50 -16.006 -3.840 7.027 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.842 -4.031 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.651 -1.988 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.741 -1.876 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.602 -0.268 5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.791 -1.423 4.534 1.00 0.00 H new ATOM 731 N GLY A 51 -16.543 -4.725 4.185 1.00 0.00 N ATOM 732 CA GLY A 51 -16.221 -5.077 2.794 1.00 0.00 C ATOM 733 C GLY A 51 -15.672 -3.908 1.981 1.00 0.00 C ATOM 734 O GLY A 51 -15.762 -3.897 0.745 1.00 0.00 O ATOM 0 H GLY A 51 -15.821 -4.987 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.490 -5.885 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.119 -5.458 2.307 1.00 0.00 H new ATOM 738 N ARG A 52 -15.108 -2.920 2.685 1.00 0.00 N ATOM 739 CA ARG A 52 -14.481 -1.717 2.088 1.00 0.00 C ATOM 740 C ARG A 52 -13.124 -1.513 2.787 1.00 0.00 C ATOM 741 O ARG A 52 -13.032 -1.778 3.989 1.00 0.00 O ATOM 742 CB ARG A 52 -15.360 -0.426 2.260 1.00 0.00 C ATOM 743 CG ARG A 52 -16.652 -0.352 1.399 1.00 0.00 C ATOM 744 CD ARG A 52 -17.839 -1.150 1.972 1.00 0.00 C ATOM 745 NE ARG A 52 -19.007 -1.134 1.080 1.00 0.00 N ATOM 746 CZ ARG A 52 -20.226 -1.620 1.372 1.00 0.00 C ATOM 747 NH1 ARG A 52 -20.502 -2.130 2.564 1.00 0.00 N ATOM 748 NH2 ARG A 52 -21.173 -1.601 0.455 1.00 0.00 N ATOM 0 H ARG A 52 -15.070 -2.926 3.704 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.369 -1.875 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.643 -0.342 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.743 0.442 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.947 0.692 1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.430 -0.721 0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.531 -2.181 2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.119 -0.735 2.940 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.882 -0.717 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.781 -2.160 3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -21.435 -2.492 2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.979 -1.219 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -22.100 -1.968 0.671 1.00 0.00 H new ATOM 762 N PRO A 53 -12.045 -1.055 2.073 1.00 0.00 N ATOM 763 CA PRO A 53 -10.752 -0.749 2.722 1.00 0.00 C ATOM 764 C PRO A 53 -10.889 0.441 3.694 1.00 0.00 C ATOM 765 O PRO A 53 -11.779 1.274 3.534 1.00 0.00 O ATOM 766 CB PRO A 53 -9.799 -0.446 1.535 1.00 0.00 C ATOM 767 CG PRO A 53 -10.708 -0.016 0.421 1.00 0.00 C ATOM 768 CD PRO A 53 -11.996 -0.803 0.609 1.00 0.00 C ATOM 0 HA PRO A 53 -10.377 -1.566 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.085 0.338 1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.220 -1.326 1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.896 1.057 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.261 -0.224 -0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.864 -0.237 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.982 -1.734 0.043 1.00 0.00 H new ATOM 776 N SER A 54 -9.996 0.516 4.685 1.00 0.00 N ATOM 777 CA SER A 54 -9.999 1.593 5.703 1.00 0.00 C ATOM 778 C SER A 54 -9.535 2.948 5.103 1.00 0.00 C ATOM 779 O SER A 54 -9.571 3.983 5.776 1.00 0.00 O ATOM 780 CB SER A 54 -9.077 1.164 6.878 1.00 0.00 C ATOM 781 OG SER A 54 -9.047 2.130 7.915 1.00 0.00 O ATOM 0 H SER A 54 -9.247 -0.164 4.812 1.00 0.00 H new ATOM 0 HA SER A 54 -11.017 1.741 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.423 0.212 7.280 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.066 1.003 6.504 1.00 0.00 H new ATOM 0 HG SER A 54 -8.119 2.291 8.185 1.00 0.00 H new ATOM 787 N GLY A 55 -9.136 2.919 3.815 1.00 0.00 N ATOM 788 CA GLY A 55 -8.419 4.017 3.180 1.00 0.00 C ATOM 789 C GLY A 55 -6.912 3.770 3.231 1.00 0.00 C ATOM 790 O GLY A 55 -6.128 4.554 2.696 1.00 0.00 O ATOM 0 H GLY A 55 -9.307 2.128 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.742 4.120 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.657 4.954 3.683 1.00 0.00 H new ATOM 794 N GLU A 56 -6.521 2.657 3.895 1.00 0.00 N ATOM 795 CA GLU A 56 -5.124 2.236 4.088 1.00 0.00 C ATOM 796 C GLU A 56 -4.832 0.923 3.342 1.00 0.00 C ATOM 797 O GLU A 56 -5.727 0.087 3.146 1.00 0.00 O ATOM 798 CB GLU A 56 -4.863 2.059 5.609 1.00 0.00 C ATOM 799 CG GLU A 56 -5.220 3.295 6.449 1.00 0.00 C ATOM 800 CD GLU A 56 -5.167 3.038 7.959 1.00 0.00 C ATOM 801 OE1 GLU A 56 -6.095 2.382 8.488 1.00 0.00 O ATOM 802 OE2 GLU A 56 -4.217 3.495 8.626 1.00 0.00 O ATOM 0 H GLU A 56 -7.190 2.015 4.320 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.461 3.000 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.440 1.207 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.811 1.819 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.534 4.105 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.221 3.632 6.180 1.00 0.00 H new ATOM 809 N ALA A 57 -3.574 0.788 2.912 1.00 0.00 N ATOM 810 CA ALA A 57 -3.019 -0.422 2.285 1.00 0.00 C ATOM 811 C ALA A 57 -1.525 -0.551 2.629 1.00 0.00 C ATOM 812 O ALA A 57 -0.931 0.376 3.161 1.00 0.00 O ATOM 813 CB ALA A 57 -3.205 -0.367 0.754 1.00 0.00 C ATOM 0 H ALA A 57 -2.890 1.540 2.992 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.551 -1.292 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.789 -1.269 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.267 -0.300 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.690 0.507 0.356 1.00 0.00 H new ATOM 819 N PHE A 58 -0.943 -1.725 2.367 1.00 0.00 N ATOM 820 CA PHE A 58 0.515 -1.932 2.378 1.00 0.00 C ATOM 821 C PHE A 58 0.949 -2.436 0.999 1.00 0.00 C ATOM 822 O PHE A 58 0.365 -3.386 0.478 1.00 0.00 O ATOM 823 CB PHE A 58 0.919 -2.961 3.463 1.00 0.00 C ATOM 824 CG PHE A 58 0.609 -2.532 4.890 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.497 -1.736 5.596 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.557 -2.932 5.530 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.236 -1.355 6.895 1.00 0.00 C ATOM 828 CE2 PHE A 58 -0.818 -2.544 6.828 1.00 0.00 C ATOM 829 CZ PHE A 58 0.079 -1.756 7.511 1.00 0.00 C ATOM 0 H PHE A 58 -1.471 -2.567 2.139 1.00 0.00 H new ATOM 0 HA PHE A 58 1.008 -0.988 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.407 -3.902 3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.988 -3.156 3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.410 -1.408 5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.267 -3.554 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.945 -0.739 7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.731 -2.861 7.310 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.127 -1.455 8.527 1.00 0.00 H new ATOM 839 N VAL A 59 1.955 -1.785 0.406 1.00 0.00 N ATOM 840 CA VAL A 59 2.482 -2.158 -0.916 1.00 0.00 C ATOM 841 C VAL A 59 3.903 -2.704 -0.744 1.00 0.00 C ATOM 842 O VAL A 59 4.793 -1.990 -0.267 1.00 0.00 O ATOM 843 CB VAL A 59 2.466 -0.927 -1.895 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.087 -1.265 -3.272 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.029 -0.376 -2.055 1.00 0.00 C ATOM 0 H VAL A 59 2.428 -0.985 0.826 1.00 0.00 H new ATOM 0 HA VAL A 59 1.848 -2.928 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 59 3.088 -0.151 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.053 -0.384 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.123 -1.576 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.523 -2.074 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.039 0.475 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.383 -1.156 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.651 -0.059 -1.083 1.00 0.00 H new ATOM 855 N GLU A 60 4.101 -3.975 -1.118 1.00 0.00 N ATOM 856 CA GLU A 60 5.406 -4.645 -1.024 1.00 0.00 C ATOM 857 C GLU A 60 6.241 -4.264 -2.252 1.00 0.00 C ATOM 858 O GLU A 60 5.707 -4.185 -3.357 1.00 0.00 O ATOM 859 CB GLU A 60 5.222 -6.182 -0.961 1.00 0.00 C ATOM 860 CG GLU A 60 4.375 -6.677 0.223 1.00 0.00 C ATOM 861 CD GLU A 60 4.173 -8.204 0.218 1.00 0.00 C ATOM 862 OE1 GLU A 60 3.469 -8.708 -0.676 1.00 0.00 O ATOM 863 OE2 GLU A 60 4.745 -8.915 1.087 1.00 0.00 O ATOM 0 H GLU A 60 3.361 -4.568 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 60 5.916 -4.327 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.758 -6.518 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.205 -6.651 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.856 -6.382 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.402 -6.187 0.197 1.00 0.00 H new ATOM 870 N LEU A 61 7.544 -4.049 -2.052 1.00 0.00 N ATOM 871 CA LEU A 61 8.450 -3.559 -3.114 1.00 0.00 C ATOM 872 C LEU A 61 9.660 -4.495 -3.260 1.00 0.00 C ATOM 873 O LEU A 61 9.930 -5.323 -2.387 1.00 0.00 O ATOM 874 CB LEU A 61 8.870 -2.087 -2.822 1.00 0.00 C ATOM 875 CG LEU A 61 7.682 -1.065 -2.737 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.155 0.325 -2.304 1.00 0.00 C ATOM 877 CD2 LEU A 61 6.915 -0.973 -4.073 1.00 0.00 C ATOM 0 H LEU A 61 8.006 -4.206 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 61 7.926 -3.564 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.420 -2.061 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.557 -1.759 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 61 7.001 -1.444 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.302 1.002 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.621 0.261 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.880 0.704 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.100 -0.256 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.594 -0.646 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.509 -1.952 -4.327 1.00 0.00 H new ATOM 889 N GLU A 62 10.358 -4.365 -4.396 1.00 0.00 N ATOM 890 CA GLU A 62 11.479 -5.247 -4.782 1.00 0.00 C ATOM 891 C GLU A 62 12.687 -5.033 -3.844 1.00 0.00 C ATOM 892 O GLU A 62 13.435 -5.972 -3.553 1.00 0.00 O ATOM 893 CB GLU A 62 11.862 -4.978 -6.275 1.00 0.00 C ATOM 894 CG GLU A 62 12.287 -6.214 -7.100 1.00 0.00 C ATOM 895 CD GLU A 62 13.577 -6.892 -6.611 1.00 0.00 C ATOM 896 OE1 GLU A 62 14.669 -6.320 -6.810 1.00 0.00 O ATOM 897 OE2 GLU A 62 13.508 -7.991 -6.017 1.00 0.00 O ATOM 0 H GLU A 62 10.162 -3.638 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 62 11.171 -6.288 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.010 -4.512 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.677 -4.255 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.478 -6.944 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.421 -5.913 -8.139 1.00 0.00 H new ATOM 904 N SER A 63 12.816 -3.798 -3.358 1.00 0.00 N ATOM 905 CA SER A 63 13.922 -3.365 -2.500 1.00 0.00 C ATOM 906 C SER A 63 13.503 -2.091 -1.748 1.00 0.00 C ATOM 907 O SER A 63 12.511 -1.440 -2.105 1.00 0.00 O ATOM 908 CB SER A 63 15.191 -3.110 -3.346 1.00 0.00 C ATOM 909 OG SER A 63 16.282 -2.701 -2.540 1.00 0.00 O ATOM 0 H SER A 63 12.143 -3.056 -3.552 1.00 0.00 H new ATOM 0 HA SER A 63 14.154 -4.148 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.457 -4.019 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.983 -2.344 -4.093 1.00 0.00 H new ATOM 0 HG SER A 63 16.639 -1.854 -2.879 1.00 0.00 H new ATOM 915 N GLU A 64 14.259 -1.751 -0.696 1.00 0.00 N ATOM 916 CA GLU A 64 13.982 -0.574 0.142 1.00 0.00 C ATOM 917 C GLU A 64 14.386 0.729 -0.592 1.00 0.00 C ATOM 918 O GLU A 64 14.005 1.834 -0.187 1.00 0.00 O ATOM 919 CB GLU A 64 14.705 -0.721 1.505 1.00 0.00 C ATOM 920 CG GLU A 64 14.308 0.335 2.554 1.00 0.00 C ATOM 921 CD GLU A 64 15.012 0.182 3.909 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.232 -0.037 3.929 1.00 0.00 O ATOM 923 OE2 GLU A 64 14.361 0.333 4.957 1.00 0.00 O ATOM 0 H GLU A 64 15.078 -2.282 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 64 12.911 -0.511 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.496 -1.712 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.781 -0.664 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.527 1.325 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.230 0.286 2.711 1.00 0.00 H new ATOM 930 N ASP A 65 15.153 0.578 -1.684 1.00 0.00 N ATOM 931 CA ASP A 65 15.459 1.673 -2.624 1.00 0.00 C ATOM 932 C ASP A 65 14.172 2.206 -3.269 1.00 0.00 C ATOM 933 O ASP A 65 13.997 3.417 -3.433 1.00 0.00 O ATOM 934 CB ASP A 65 16.449 1.183 -3.710 1.00 0.00 C ATOM 935 CG ASP A 65 17.822 0.805 -3.131 1.00 0.00 C ATOM 936 OD1 ASP A 65 18.700 1.691 -3.030 1.00 0.00 O ATOM 937 OD2 ASP A 65 18.017 -0.364 -2.743 1.00 0.00 O ATOM 0 H ASP A 65 15.581 -0.311 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 65 15.925 2.488 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.024 0.319 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.577 1.965 -4.459 1.00 0.00 H new ATOM 942 N GLU A 66 13.291 1.268 -3.644 1.00 0.00 N ATOM 943 CA GLU A 66 11.948 1.575 -4.168 1.00 0.00 C ATOM 944 C GLU A 66 11.105 2.373 -3.141 1.00 0.00 C ATOM 945 O GLU A 66 10.304 3.231 -3.513 1.00 0.00 O ATOM 946 CB GLU A 66 11.220 0.260 -4.577 1.00 0.00 C ATOM 947 CG GLU A 66 12.071 -0.757 -5.379 1.00 0.00 C ATOM 948 CD GLU A 66 12.821 -0.145 -6.576 1.00 0.00 C ATOM 949 OE1 GLU A 66 12.183 0.120 -7.610 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.055 0.077 -6.478 1.00 0.00 O ATOM 0 H GLU A 66 13.489 0.269 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 66 12.065 2.203 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.858 -0.230 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.344 0.521 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.795 -1.217 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.420 -1.553 -5.741 1.00 0.00 H new ATOM 957 N VAL A 67 11.343 2.099 -1.842 1.00 0.00 N ATOM 958 CA VAL A 67 10.630 2.776 -0.736 1.00 0.00 C ATOM 959 C VAL A 67 11.031 4.257 -0.680 1.00 0.00 C ATOM 960 O VAL A 67 10.187 5.113 -0.484 1.00 0.00 O ATOM 961 CB VAL A 67 10.916 2.088 0.652 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.327 2.878 1.847 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.398 0.639 0.655 1.00 0.00 C ATOM 0 H VAL A 67 12.027 1.410 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 67 9.561 2.695 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 67 11.998 2.082 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.555 2.356 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.764 3.876 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.246 2.959 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.605 0.181 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.323 0.637 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.899 0.072 -0.130 1.00 0.00 H new ATOM 973 N LYS A 68 12.335 4.522 -0.866 1.00 0.00 N ATOM 974 CA LYS A 68 12.910 5.890 -0.846 1.00 0.00 C ATOM 975 C LYS A 68 12.167 6.831 -1.827 1.00 0.00 C ATOM 976 O LYS A 68 11.813 7.952 -1.462 1.00 0.00 O ATOM 977 CB LYS A 68 14.418 5.835 -1.196 1.00 0.00 C ATOM 978 CG LYS A 68 15.249 4.902 -0.288 1.00 0.00 C ATOM 979 CD LYS A 68 16.706 4.723 -0.775 1.00 0.00 C ATOM 980 CE LYS A 68 17.477 3.680 0.055 1.00 0.00 C ATOM 981 NZ LYS A 68 18.808 3.370 -0.524 1.00 0.00 N ATOM 0 H LYS A 68 13.029 3.794 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 68 12.787 6.293 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.527 5.508 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.830 6.842 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.257 5.304 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.766 3.926 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.702 4.420 -1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.224 5.681 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.603 4.050 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.889 2.764 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.374 2.842 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.688 2.795 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.296 4.256 -0.766 1.00 0.00 H new ATOM 995 N LEU A 69 11.937 6.344 -3.065 1.00 0.00 N ATOM 996 CA LEU A 69 11.197 7.087 -4.118 1.00 0.00 C ATOM 997 C LEU A 69 9.735 7.329 -3.705 1.00 0.00 C ATOM 998 O LEU A 69 9.200 8.431 -3.869 1.00 0.00 O ATOM 999 CB LEU A 69 11.239 6.302 -5.459 1.00 0.00 C ATOM 1000 CG LEU A 69 12.655 6.060 -6.067 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.561 5.225 -7.362 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.396 7.400 -6.299 1.00 0.00 C ATOM 0 H LEU A 69 12.258 5.424 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 69 11.682 8.054 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.761 5.334 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.638 6.841 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 69 13.242 5.486 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.561 5.069 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.105 4.260 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.951 5.755 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.380 7.203 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.821 8.019 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.509 7.923 -5.349 1.00 0.00 H new ATOM 1014 N ALA A 70 9.106 6.255 -3.200 1.00 0.00 N ATOM 1015 CA ALA A 70 7.707 6.274 -2.727 1.00 0.00 C ATOM 1016 C ALA A 70 7.494 7.356 -1.630 1.00 0.00 C ATOM 1017 O ALA A 70 6.533 8.128 -1.692 1.00 0.00 O ATOM 1018 CB ALA A 70 7.310 4.871 -2.239 1.00 0.00 C ATOM 0 H ALA A 70 9.554 5.343 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 70 7.055 6.545 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.277 4.886 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.406 4.160 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.965 4.571 -1.421 1.00 0.00 H new ATOM 1024 N LEU A 71 8.422 7.400 -0.642 1.00 0.00 N ATOM 1025 CA LEU A 71 8.424 8.395 0.463 1.00 0.00 C ATOM 1026 C LEU A 71 8.508 9.830 -0.079 1.00 0.00 C ATOM 1027 O LEU A 71 7.847 10.725 0.433 1.00 0.00 O ATOM 1028 CB LEU A 71 9.612 8.139 1.432 1.00 0.00 C ATOM 1029 CG LEU A 71 9.622 6.764 2.169 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.876 6.613 3.057 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.329 6.547 2.979 1.00 0.00 C ATOM 0 H LEU A 71 9.198 6.740 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 71 7.486 8.280 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.540 8.231 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.617 8.929 2.183 1.00 0.00 H new ATOM 0 HG LEU A 71 9.662 5.985 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.853 5.645 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.771 6.681 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.891 7.407 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.371 5.579 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.230 7.336 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.471 6.572 2.308 1.00 0.00 H new ATOM 1043 N LYS A 72 9.322 10.014 -1.135 1.00 0.00 N ATOM 1044 CA LYS A 72 9.522 11.332 -1.776 1.00 0.00 C ATOM 1045 C LYS A 72 8.228 11.844 -2.423 1.00 0.00 C ATOM 1046 O LYS A 72 8.007 13.058 -2.490 1.00 0.00 O ATOM 1047 CB LYS A 72 10.661 11.274 -2.826 1.00 0.00 C ATOM 1048 CG LYS A 72 12.053 11.020 -2.222 1.00 0.00 C ATOM 1049 CD LYS A 72 13.160 10.881 -3.291 1.00 0.00 C ATOM 1050 CE LYS A 72 14.538 10.642 -2.658 1.00 0.00 C ATOM 1051 NZ LYS A 72 14.564 9.419 -1.814 1.00 0.00 N ATOM 0 H LYS A 72 9.857 9.261 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 72 9.809 12.033 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.439 10.486 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.681 12.214 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.306 11.840 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.021 10.112 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.919 10.054 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.192 11.784 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.287 10.554 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.812 11.505 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.592 9.690 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.711 8.853 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.408 8.856 -2.044 1.00 0.00 H new ATOM 1065 N LYS A 73 7.361 10.917 -2.865 1.00 0.00 N ATOM 1066 CA LYS A 73 6.096 11.272 -3.527 1.00 0.00 C ATOM 1067 C LYS A 73 4.883 10.911 -2.649 1.00 0.00 C ATOM 1068 O LYS A 73 3.798 10.565 -3.152 1.00 0.00 O ATOM 1069 CB LYS A 73 6.015 10.639 -4.933 1.00 0.00 C ATOM 1070 CG LYS A 73 5.916 9.108 -4.995 1.00 0.00 C ATOM 1071 CD LYS A 73 5.698 8.637 -6.443 1.00 0.00 C ATOM 1072 CE LYS A 73 5.420 7.143 -6.545 1.00 0.00 C ATOM 1073 NZ LYS A 73 5.214 6.731 -7.953 1.00 0.00 N ATOM 0 H LYS A 73 7.515 9.913 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 73 6.072 12.354 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.148 11.057 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.897 10.946 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.827 8.663 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.093 8.766 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.863 9.187 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.581 8.878 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.254 6.585 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.536 6.894 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.284 6.275 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.254 7.568 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.959 6.060 -8.231 1.00 0.00 H new ATOM 1087 N ASP A 74 5.034 11.104 -1.322 1.00 0.00 N ATOM 1088 CA ASP A 74 3.893 11.117 -0.358 1.00 0.00 C ATOM 1089 C ASP A 74 3.076 12.444 -0.442 1.00 0.00 C ATOM 1090 O ASP A 74 2.302 12.775 0.466 1.00 0.00 O ATOM 1091 CB ASP A 74 4.444 10.934 1.085 1.00 0.00 C ATOM 1092 CG ASP A 74 5.132 12.195 1.648 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.025 12.757 0.976 1.00 0.00 O ATOM 1094 OD2 ASP A 74 4.790 12.627 2.768 1.00 0.00 O ATOM 0 H ASP A 74 5.942 11.255 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 74 3.221 10.299 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.624 10.652 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.156 10.109 1.091 1.00 0.00 H new ATOM 1099 N ARG A 75 3.243 13.161 -1.557 1.00 0.00 N ATOM 1100 CA ARG A 75 2.777 14.531 -1.764 1.00 0.00 C ATOM 1101 C ARG A 75 1.764 14.542 -2.919 1.00 0.00 C ATOM 1102 O ARG A 75 0.887 15.403 -2.982 1.00 0.00 O ATOM 1103 CB ARG A 75 4.011 15.423 -2.106 1.00 0.00 C ATOM 1104 CG ARG A 75 5.258 15.120 -1.241 1.00 0.00 C ATOM 1105 CD ARG A 75 6.485 15.957 -1.593 1.00 0.00 C ATOM 1106 NE ARG A 75 7.675 15.475 -0.860 1.00 0.00 N ATOM 1107 CZ ARG A 75 8.719 16.221 -0.499 1.00 0.00 C ATOM 1108 NH1 ARG A 75 8.732 17.526 -0.742 1.00 0.00 N ATOM 1109 NH2 ARG A 75 9.754 15.653 0.102 1.00 0.00 N ATOM 0 H ARG A 75 3.727 12.785 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 75 2.291 14.918 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.267 15.286 -3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.737 16.470 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.008 15.286 -0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.510 14.065 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.669 15.908 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.300 17.003 -1.348 1.00 0.00 H new ATOM 0 HE ARG A 75 7.699 14.487 -0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.939 17.966 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.535 18.089 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.749 14.650 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.556 16.219 0.380 1.00 0.00 H new ATOM 1123 N GLU A 76 1.954 13.585 -3.857 1.00 0.00 N ATOM 1124 CA GLU A 76 1.093 13.395 -5.027 1.00 0.00 C ATOM 1125 C GLU A 76 -0.375 13.115 -4.650 1.00 0.00 C ATOM 1126 O GLU A 76 -0.671 12.467 -3.641 1.00 0.00 O ATOM 1127 CB GLU A 76 1.644 12.241 -5.908 1.00 0.00 C ATOM 1128 CG GLU A 76 3.084 12.442 -6.428 1.00 0.00 C ATOM 1129 CD GLU A 76 3.238 13.686 -7.318 1.00 0.00 C ATOM 1130 OE1 GLU A 76 2.867 13.618 -8.517 1.00 0.00 O ATOM 1131 OE2 GLU A 76 3.722 14.739 -6.831 1.00 0.00 O ATOM 0 H GLU A 76 2.724 12.918 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 76 1.105 14.330 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.608 11.316 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.981 12.109 -6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.762 12.525 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.386 11.560 -6.992 1.00 0.00 H new ATOM 1138 N THR A 77 -1.266 13.618 -5.506 1.00 0.00 N ATOM 1139 CA THR A 77 -2.720 13.475 -5.371 1.00 0.00 C ATOM 1140 C THR A 77 -3.216 12.282 -6.192 1.00 0.00 C ATOM 1141 O THR A 77 -2.691 12.004 -7.276 1.00 0.00 O ATOM 1142 CB THR A 77 -3.440 14.792 -5.814 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.939 15.235 -7.091 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.241 15.902 -4.769 1.00 0.00 C ATOM 0 H THR A 77 -0.992 14.149 -6.333 1.00 0.00 H new ATOM 0 HA THR A 77 -2.958 13.291 -4.323 1.00 0.00 H new ATOM 0 HB THR A 77 -4.505 14.579 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.400 16.058 -7.355 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.750 16.808 -5.099 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.655 15.580 -3.813 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.177 16.106 -4.653 1.00 0.00 H new ATOM 1152 N MET A 78 -4.223 11.571 -5.657 1.00 0.00 N ATOM 1153 CA MET A 78 -4.814 10.392 -6.327 1.00 0.00 C ATOM 1154 C MET A 78 -6.254 10.727 -6.754 1.00 0.00 C ATOM 1155 O MET A 78 -7.178 10.680 -5.934 1.00 0.00 O ATOM 1156 CB MET A 78 -4.770 9.154 -5.383 1.00 0.00 C ATOM 1157 CG MET A 78 -5.093 7.811 -6.058 1.00 0.00 C ATOM 1158 SD MET A 78 -4.876 6.410 -4.934 1.00 0.00 S ATOM 1159 CE MET A 78 -5.078 5.008 -6.035 1.00 0.00 C ATOM 0 H MET A 78 -4.649 11.791 -4.757 1.00 0.00 H new ATOM 0 HA MET A 78 -4.236 10.142 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.777 9.090 -4.938 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.475 9.313 -4.567 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.121 7.827 -6.421 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.449 7.680 -6.928 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.288 4.113 -5.449 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.907 5.198 -6.717 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.163 4.861 -6.608 1.00 0.00 H new ATOM 1169 N GLY A 79 -6.422 11.094 -8.040 1.00 0.00 N ATOM 1170 CA GLY A 79 -7.702 11.579 -8.567 1.00 0.00 C ATOM 1171 C GLY A 79 -8.005 12.995 -8.102 1.00 0.00 C ATOM 1172 O GLY A 79 -7.865 13.955 -8.865 1.00 0.00 O ATOM 0 H GLY A 79 -5.676 11.061 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.680 11.551 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.503 10.912 -8.247 1.00 0.00 H new ATOM 1176 N HIS A 80 -8.426 13.115 -6.834 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.632 14.408 -6.147 1.00 0.00 C ATOM 1178 C HIS A 80 -8.410 14.238 -4.623 1.00 0.00 C ATOM 1179 O HIS A 80 -8.803 15.102 -3.821 1.00 0.00 O ATOM 1180 CB HIS A 80 -10.046 14.972 -6.463 1.00 0.00 C ATOM 1181 CG HIS A 80 -11.179 14.064 -6.064 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -11.829 14.160 -4.855 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -11.766 13.031 -6.720 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -12.758 13.230 -4.779 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -12.740 12.531 -5.896 1.00 0.00 N ATOM 0 H HIS A 80 -8.637 12.309 -6.246 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.903 15.131 -6.514 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.165 15.928 -5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.114 15.171 -7.533 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.513 12.671 -7.706 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.422 13.068 -3.943 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.352 11.745 -6.112 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.777 13.112 -4.238 1.00 0.00 N ATOM 1195 CA ARG A 81 -7.399 12.823 -2.843 1.00 0.00 C ATOM 1196 C ARG A 81 -5.849 12.975 -2.727 1.00 0.00 C ATOM 1197 O ARG A 81 -5.276 13.787 -3.434 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.920 11.415 -2.405 1.00 0.00 C ATOM 1199 CG ARG A 81 -7.869 11.183 -0.873 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.385 9.812 -0.432 1.00 0.00 C ATOM 1201 NE ARG A 81 -8.157 9.612 1.015 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.064 9.176 1.901 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.311 8.896 1.531 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -8.714 9.034 3.170 1.00 0.00 N ATOM 0 H ARG A 81 -7.513 12.374 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.867 13.528 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.947 11.294 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.326 10.647 -2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.840 11.299 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.457 11.957 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.449 9.729 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.880 9.028 -0.997 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.225 9.825 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.592 9.012 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.986 8.565 2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.763 9.256 3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.395 8.703 3.853 1.00 0.00 H new ATOM 1218 N TYR A 82 -5.165 12.164 -1.898 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.806 12.447 -1.367 1.00 0.00 C ATOM 1220 C TYR A 82 -3.219 11.102 -0.973 1.00 0.00 C ATOM 1221 O TYR A 82 -3.894 10.358 -0.269 1.00 0.00 O ATOM 1222 CB TYR A 82 -3.848 13.351 -0.084 1.00 0.00 C ATOM 1223 CG TYR A 82 -4.557 14.699 -0.245 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -3.935 15.764 -0.891 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -5.863 14.897 0.230 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -4.572 16.974 -1.051 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -6.501 16.109 0.072 1.00 0.00 C ATOM 1228 CZ TYR A 82 -5.856 17.142 -0.576 1.00 0.00 C ATOM 1229 OH TYR A 82 -6.489 18.360 -0.739 1.00 0.00 O ATOM 0 H TYR A 82 -5.543 11.276 -1.569 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.223 12.972 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.340 12.795 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.824 13.536 0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.933 15.638 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.376 14.087 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.067 17.790 -1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.501 16.249 0.454 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.388 18.316 -0.351 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.009 10.752 -1.417 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.368 9.494 -1.013 1.00 0.00 C ATOM 1241 C VAL A 83 -0.269 9.792 0.008 1.00 0.00 C ATOM 1242 O VAL A 83 0.698 10.486 -0.295 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.778 8.734 -2.251 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.059 7.424 -1.836 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -1.894 8.448 -3.280 1.00 0.00 C ATOM 0 H VAL A 83 -1.453 11.320 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.119 8.847 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.029 9.377 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.335 6.928 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.761 7.658 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.767 6.763 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.473 7.920 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.666 7.833 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.331 9.389 -3.614 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.466 9.271 1.215 1.00 0.00 N ATOM 1256 CA GLU A 84 0.476 9.354 2.326 1.00 0.00 C ATOM 1257 C GLU A 84 1.283 8.057 2.346 1.00 0.00 C ATOM 1258 O GLU A 84 0.725 6.969 2.524 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.305 9.523 3.662 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.234 10.754 3.710 1.00 0.00 C ATOM 1261 CD GLU A 84 -0.473 12.085 3.598 1.00 0.00 C ATOM 1262 OE1 GLU A 84 0.336 12.382 4.507 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -0.675 12.840 2.623 1.00 0.00 O ATOM 0 H GLU A 84 -1.316 8.761 1.455 1.00 0.00 H new ATOM 0 HA GLU A 84 1.141 10.210 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.901 8.627 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.411 9.592 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.959 10.687 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.797 10.741 4.643 1.00 0.00 H new ATOM 1270 N VAL A 85 2.595 8.183 2.164 1.00 0.00 N ATOM 1271 CA VAL A 85 3.504 7.042 2.094 1.00 0.00 C ATOM 1272 C VAL A 85 4.440 7.087 3.302 1.00 0.00 C ATOM 1273 O VAL A 85 5.203 8.042 3.471 1.00 0.00 O ATOM 1274 CB VAL A 85 4.352 7.028 0.775 1.00 0.00 C ATOM 1275 CG1 VAL A 85 5.189 5.729 0.676 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.466 7.222 -0.479 1.00 0.00 C ATOM 0 H VAL A 85 3.060 9.085 2.060 1.00 0.00 H new ATOM 0 HA VAL A 85 2.902 6.133 2.097 1.00 0.00 H new ATOM 0 HB VAL A 85 5.039 7.873 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.770 5.740 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.864 5.665 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.523 4.866 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.091 7.206 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.733 6.417 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.949 8.179 -0.415 1.00 0.00 H new ATOM 1286 N PHE A 86 4.340 6.064 4.145 1.00 0.00 N ATOM 1287 CA PHE A 86 5.201 5.861 5.312 1.00 0.00 C ATOM 1288 C PHE A 86 6.085 4.640 5.034 1.00 0.00 C ATOM 1289 O PHE A 86 5.982 4.024 3.963 1.00 0.00 O ATOM 1290 CB PHE A 86 4.319 5.627 6.577 1.00 0.00 C ATOM 1291 CG PHE A 86 3.289 6.726 6.833 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.673 7.933 7.415 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.943 6.560 6.489 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.752 8.937 7.637 1.00 0.00 C ATOM 1295 CE2 PHE A 86 1.023 7.568 6.708 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.428 8.757 7.287 1.00 0.00 C ATOM 0 H PHE A 86 3.639 5.331 4.035 1.00 0.00 H new ATOM 0 HA PHE A 86 5.825 6.736 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.799 4.674 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.968 5.543 7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.705 8.085 7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.618 5.630 6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.068 9.867 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.010 7.427 6.427 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.710 9.544 7.465 1.00 0.00 H new ATOM 1306 N LYS A 87 6.933 4.272 5.994 1.00 0.00 N ATOM 1307 CA LYS A 87 7.750 3.059 5.903 1.00 0.00 C ATOM 1308 C LYS A 87 7.082 1.986 6.748 1.00 0.00 C ATOM 1309 O LYS A 87 6.905 2.156 7.962 1.00 0.00 O ATOM 1310 CB LYS A 87 9.203 3.296 6.383 1.00 0.00 C ATOM 1311 CG LYS A 87 10.044 1.993 6.515 1.00 0.00 C ATOM 1312 CD LYS A 87 11.537 2.249 6.792 1.00 0.00 C ATOM 1313 CE LYS A 87 12.238 2.926 5.604 1.00 0.00 C ATOM 1314 NZ LYS A 87 12.172 2.082 4.382 1.00 0.00 N ATOM 0 H LYS A 87 7.074 4.803 6.854 1.00 0.00 H new ATOM 0 HA LYS A 87 7.816 2.750 4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.701 3.969 5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.178 3.800 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.633 1.385 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.947 1.413 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.638 2.876 7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.032 1.303 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.772 3.891 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.280 3.121 5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.419 2.655 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.843 1.292 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.208 1.707 4.271 1.00 0.00 H new ATOM 1328 N SER A 88 6.695 0.899 6.096 1.00 0.00 N ATOM 1329 CA SER A 88 6.138 -0.263 6.773 1.00 0.00 C ATOM 1330 C SER A 88 7.262 -1.264 7.098 1.00 0.00 C ATOM 1331 O SER A 88 8.452 -1.031 6.817 1.00 0.00 O ATOM 1332 CB SER A 88 5.035 -0.913 5.903 1.00 0.00 C ATOM 1333 OG SER A 88 4.377 -1.966 6.592 1.00 0.00 O ATOM 0 H SER A 88 6.758 0.798 5.083 1.00 0.00 H new ATOM 0 HA SER A 88 5.678 0.049 7.711 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.306 -0.156 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.476 -1.299 4.984 1.00 0.00 H new ATOM 0 HG SER A 88 3.408 -1.821 6.563 1.00 0.00 H new ATOM 1339 N ASN A 89 6.851 -2.371 7.695 1.00 0.00 N ATOM 1340 CA ASN A 89 7.719 -3.462 8.097 1.00 0.00 C ATOM 1341 C ASN A 89 6.954 -4.769 7.834 1.00 0.00 C ATOM 1342 O ASN A 89 5.715 -4.761 7.817 1.00 0.00 O ATOM 1343 CB ASN A 89 8.088 -3.298 9.602 1.00 0.00 C ATOM 1344 CG ASN A 89 9.224 -4.212 10.049 1.00 0.00 C ATOM 1345 OD1 ASN A 89 8.995 -5.355 10.412 1.00 0.00 O ATOM 1346 ND2 ASN A 89 10.457 -3.713 10.029 1.00 0.00 N ATOM 0 H ASN A 89 5.870 -2.539 7.920 1.00 0.00 H new ATOM 0 HA ASN A 89 8.653 -3.469 7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.370 -2.262 9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.206 -3.503 10.209 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.245 -4.290 10.323 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.614 -2.754 9.720 1.00 0.00 H new ATOM 1353 N ASN A 90 7.680 -5.875 7.621 1.00 0.00 N ATOM 1354 CA ASN A 90 7.067 -7.209 7.403 1.00 0.00 C ATOM 1355 C ASN A 90 6.204 -7.596 8.631 1.00 0.00 C ATOM 1356 O ASN A 90 5.112 -8.149 8.490 1.00 0.00 O ATOM 1357 CB ASN A 90 8.186 -8.266 7.148 1.00 0.00 C ATOM 1358 CG ASN A 90 7.680 -9.629 6.625 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.559 -10.066 6.898 1.00 0.00 O ATOM 1360 ND2 ASN A 90 8.520 -10.315 5.866 1.00 0.00 N ATOM 0 H ASN A 90 8.700 -5.880 7.593 1.00 0.00 H new ATOM 0 HA ASN A 90 6.419 -7.177 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.896 -7.857 6.429 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.732 -8.429 8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.245 -11.224 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.442 -9.934 5.653 1.00 0.00 H new ATOM 1367 N VAL A 91 6.718 -7.234 9.822 1.00 0.00 N ATOM 1368 CA VAL A 91 6.054 -7.453 11.121 1.00 0.00 C ATOM 1369 C VAL A 91 4.747 -6.626 11.213 1.00 0.00 C ATOM 1370 O VAL A 91 3.694 -7.163 11.565 1.00 0.00 O ATOM 1371 CB VAL A 91 7.026 -7.097 12.319 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.350 -7.303 13.699 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.340 -7.924 12.232 1.00 0.00 C ATOM 0 H VAL A 91 7.623 -6.772 9.910 1.00 0.00 H new ATOM 0 HA VAL A 91 5.797 -8.510 11.196 1.00 0.00 H new ATOM 0 HB VAL A 91 7.270 -6.039 12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.054 -7.047 14.491 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.471 -6.662 13.773 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.049 -8.345 13.805 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.991 -7.661 13.066 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.104 -8.987 12.276 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.847 -7.704 11.293 1.00 0.00 H new ATOM 1383 N GLU A 92 4.834 -5.326 10.842 1.00 0.00 N ATOM 1384 CA GLU A 92 3.692 -4.380 10.925 1.00 0.00 C ATOM 1385 C GLU A 92 2.542 -4.811 9.992 1.00 0.00 C ATOM 1386 O GLU A 92 1.399 -4.968 10.434 1.00 0.00 O ATOM 1387 CB GLU A 92 4.137 -2.925 10.585 1.00 0.00 C ATOM 1388 CG GLU A 92 2.971 -1.902 10.516 1.00 0.00 C ATOM 1389 CD GLU A 92 3.419 -0.458 10.248 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.702 -0.115 9.084 1.00 0.00 O ATOM 1391 OE2 GLU A 92 3.471 0.355 11.200 1.00 0.00 O ATOM 0 H GLU A 92 5.689 -4.905 10.480 1.00 0.00 H new ATOM 0 HA GLU A 92 3.331 -4.400 11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.854 -2.592 11.335 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.657 -2.931 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.279 -2.208 9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.420 -1.932 11.456 1.00 0.00 H new ATOM 1398 N MET A 93 2.880 -4.999 8.702 1.00 0.00 N ATOM 1399 CA MET A 93 1.930 -5.407 7.646 1.00 0.00 C ATOM 1400 C MET A 93 1.199 -6.710 8.021 1.00 0.00 C ATOM 1401 O MET A 93 -0.021 -6.824 7.840 1.00 0.00 O ATOM 1402 CB MET A 93 2.687 -5.572 6.302 1.00 0.00 C ATOM 1403 CG MET A 93 1.849 -6.150 5.146 1.00 0.00 C ATOM 1404 SD MET A 93 2.760 -6.262 3.592 1.00 0.00 S ATOM 1405 CE MET A 93 4.184 -7.232 4.079 1.00 0.00 C ATOM 0 H MET A 93 3.832 -4.871 8.358 1.00 0.00 H new ATOM 0 HA MET A 93 1.174 -4.628 7.540 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.073 -4.599 5.999 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.548 -6.220 6.465 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.495 -7.143 5.424 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.967 -5.527 4.998 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.771 -7.486 3.196 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.799 -6.655 4.770 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.851 -8.147 4.568 1.00 0.00 H new ATOM 1415 N ASP A 94 1.970 -7.666 8.574 1.00 0.00 N ATOM 1416 CA ASP A 94 1.450 -8.971 9.018 1.00 0.00 C ATOM 1417 C ASP A 94 0.347 -8.801 10.081 1.00 0.00 C ATOM 1418 O ASP A 94 -0.721 -9.404 9.966 1.00 0.00 O ATOM 1419 CB ASP A 94 2.609 -9.840 9.573 1.00 0.00 C ATOM 1420 CG ASP A 94 2.156 -11.210 10.123 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.535 -11.985 9.372 1.00 0.00 O ATOM 1422 OD2 ASP A 94 2.433 -11.521 11.297 1.00 0.00 O ATOM 0 H ASP A 94 2.972 -7.554 8.725 1.00 0.00 H new ATOM 0 HA ASP A 94 1.007 -9.473 8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.340 -10.001 8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.115 -9.290 10.367 1.00 0.00 H new ATOM 1427 N TRP A 95 0.606 -7.917 11.066 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.312 -7.678 12.200 1.00 0.00 C ATOM 1429 C TRP A 95 -1.666 -7.123 11.735 1.00 0.00 C ATOM 1430 O TRP A 95 -2.717 -7.592 12.182 1.00 0.00 O ATOM 1431 CB TRP A 95 0.320 -6.718 13.249 1.00 0.00 C ATOM 1432 CG TRP A 95 1.551 -7.234 13.994 1.00 0.00 C ATOM 1433 CD1 TRP A 95 2.529 -6.455 14.546 1.00 0.00 C ATOM 1434 CD2 TRP A 95 1.925 -8.603 14.288 1.00 0.00 C ATOM 1435 NE1 TRP A 95 3.474 -7.235 15.151 1.00 0.00 N ATOM 1436 CE2 TRP A 95 3.136 -8.552 14.996 1.00 0.00 C ATOM 1437 CE3 TRP A 95 1.372 -9.863 14.011 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 3.786 -9.697 15.448 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 2.021 -10.997 14.458 1.00 0.00 C ATOM 1440 CH2 TRP A 95 3.221 -10.907 15.161 1.00 0.00 C ATOM 0 H TRP A 95 1.454 -7.351 11.099 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.484 -8.647 12.669 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.591 -5.791 12.743 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.444 -6.467 13.985 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.552 -5.376 14.509 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.300 -6.890 15.640 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.450 -9.945 13.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.707 -9.631 16.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.592 -11.968 14.260 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.714 -11.812 15.485 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.617 -6.145 10.822 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.810 -5.414 10.357 1.00 0.00 C ATOM 1453 C VAL A 96 -3.647 -6.274 9.365 1.00 0.00 C ATOM 1454 O VAL A 96 -4.864 -6.083 9.233 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.412 -4.029 9.729 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.651 -3.132 9.466 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.387 -3.290 10.629 1.00 0.00 C ATOM 0 H VAL A 96 -0.750 -5.835 10.383 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.440 -5.213 11.223 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.947 -4.235 8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.329 -2.185 9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.326 -3.637 8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.169 -2.943 10.406 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.126 -2.334 10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.824 -3.117 11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.489 -3.899 10.734 1.00 0.00 H new ATOM 1467 N LEU A 97 -2.986 -7.231 8.688 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.666 -8.212 7.811 1.00 0.00 C ATOM 1469 C LEU A 97 -4.301 -9.352 8.640 1.00 0.00 C ATOM 1470 O LEU A 97 -5.291 -9.955 8.212 1.00 0.00 O ATOM 1471 CB LEU A 97 -2.683 -8.787 6.756 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.234 -7.805 5.629 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.125 -8.427 4.767 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.434 -7.356 4.757 1.00 0.00 C ATOM 0 H LEU A 97 -1.974 -7.349 8.730 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.465 -7.690 7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.793 -9.144 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.149 -9.655 6.289 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.827 -6.915 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.830 -7.722 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.263 -8.657 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.493 -9.343 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.085 -6.673 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.892 -8.229 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.169 -6.850 5.383 1.00 0.00 H new ATOM 1486 N LYS A 98 -3.707 -9.659 9.804 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.257 -10.658 10.754 1.00 0.00 C ATOM 1488 C LYS A 98 -5.391 -10.047 11.602 1.00 0.00 C ATOM 1489 O LYS A 98 -6.310 -10.754 12.035 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.135 -11.217 11.667 1.00 0.00 C ATOM 1491 CG LYS A 98 -2.077 -12.062 10.928 1.00 0.00 C ATOM 1492 CD LYS A 98 -0.893 -12.463 11.834 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.295 -13.384 12.999 1.00 0.00 C ATOM 1494 NZ LYS A 98 -0.124 -13.766 13.827 1.00 0.00 N ATOM 0 H LYS A 98 -2.837 -9.229 10.118 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.674 -11.482 10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.636 -10.384 12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.589 -11.827 12.449 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.548 -12.962 10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.701 -11.499 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.137 -12.964 11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.433 -11.561 12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.033 -12.880 13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.771 -14.282 12.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.268 -14.722 14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.735 -13.754 13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.017 -13.090 14.610 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.315 -8.726 11.811 1.00 0.00 N ATOM 1509 CA HIS A 99 -6.282 -7.966 12.601 1.00 0.00 C ATOM 1510 C HIS A 99 -6.165 -6.487 12.227 1.00 0.00 C ATOM 1511 O HIS A 99 -5.165 -5.842 12.566 1.00 0.00 O ATOM 1512 CB HIS A 99 -6.054 -8.163 14.125 1.00 0.00 C ATOM 1513 CG HIS A 99 -7.121 -7.541 14.995 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -8.200 -8.256 15.476 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -7.297 -6.267 15.437 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -8.986 -7.456 16.167 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -8.470 -6.244 16.161 1.00 0.00 N ATOM 0 H HIS A 99 -4.566 -8.149 11.428 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.285 -8.329 12.379 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.003 -9.231 14.339 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.087 -7.738 14.395 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.640 -5.429 15.255 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.903 -7.746 16.658 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.872 -5.424 16.616 1.00 0.00 H new