USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 ASN : amide:sc=0.000246 K(o=0.00025,f=-0.78) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 165:sc= -2.02 (180deg=-2.91!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= -1.51 (180deg=-3.97!) USER MOD Single : A 26 GLN : amide:sc= -6.65! C(o=-6.7!,f=-11!) USER MOD Single : A 28 HIS : no HD1:sc= -1.68! C(o=-1.7!,f=-4.7!) USER MOD Single : A 37 SER OG : rot 101:sc= -0.14 USER MOD Single : A 39 SER OG : rot 180:sc= 0.484 USER MOD Single : A 45 SER OG : rot -97:sc= -3.94! USER MOD Single : A 47 SER OG : rot -65:sc= -1.37! USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0.825 (180deg=0.781) USER MOD Single : A 52 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.3!) USER MOD Single : A 55 GLN : amide:sc= -6.33! C(o=-6.3!,f=-5.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.332 K(o=-0.33,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc=-0.00519 (180deg=-0.0964) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= -3.08! (180deg=-3.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -130:sc= -1.38 (180deg=-3.98!) USER MOD Single : A 75 ASN : amide:sc= -4.18! C(o=-4.2!,f=-9!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -3.47 K(o=-3.5,f=-12!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 87 THR OG1 : rot -49:sc= 0.61 USER MOD Single : A 88 SER OG : rot 14:sc= -0.497 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 8 8.959 3.494 8.455 1.00 0.00 N ATOM 115 CA PRO A 8 7.707 2.814 8.146 1.00 0.00 C ATOM 116 C PRO A 8 7.596 2.294 6.698 1.00 0.00 C ATOM 117 O PRO A 8 8.358 1.442 6.262 1.00 0.00 O ATOM 118 CB PRO A 8 6.631 3.848 8.516 1.00 0.00 C ATOM 119 CG PRO A 8 7.292 4.724 9.579 1.00 0.00 C ATOM 120 CD PRO A 8 8.771 4.736 9.193 1.00 0.00 C ATOM 0 HA PRO A 8 7.606 1.886 8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.330 4.435 7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.733 3.366 8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.873 5.730 9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.145 4.315 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.015 5.604 8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.412 4.777 10.074 1.00 0.00 H new ATOM 128 N TRP A 9 6.587 2.841 5.997 1.00 0.00 N ATOM 129 CA TRP A 9 6.309 2.374 4.643 1.00 0.00 C ATOM 130 C TRP A 9 5.389 3.358 3.907 1.00 0.00 C ATOM 131 O TRP A 9 4.518 2.970 3.136 1.00 0.00 O ATOM 132 CB TRP A 9 5.720 0.944 4.607 1.00 0.00 C ATOM 133 CG TRP A 9 4.790 0.618 5.766 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.980 -0.446 6.656 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.593 1.305 6.192 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.996 -0.462 7.589 1.00 0.00 N ATOM 137 CE2 TRP A 9 3.110 0.583 7.368 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.884 2.436 5.718 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.939 1.009 8.038 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.689 2.874 6.397 1.00 0.00 C ATOM 141 CH2 TRP A 9 1.217 2.160 7.557 1.00 0.00 C ATOM 0 H TRP A 9 5.974 3.581 6.337 1.00 0.00 H new ATOM 0 HA TRP A 9 7.268 2.329 4.127 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.176 0.812 3.672 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.540 0.226 4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.795 -1.153 6.607 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.918 -1.143 8.344 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.238 2.970 4.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.587 0.473 8.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.148 3.736 6.036 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.322 2.488 8.066 1.00 0.00 H new ATOM 152 N PHE A 10 5.635 4.651 4.199 1.00 0.00 N ATOM 153 CA PHE A 10 4.741 5.669 3.687 1.00 0.00 C ATOM 154 C PHE A 10 5.360 6.353 2.465 1.00 0.00 C ATOM 155 O PHE A 10 6.468 6.874 2.509 1.00 0.00 O ATOM 156 CB PHE A 10 4.500 6.702 4.789 1.00 0.00 C ATOM 157 CG PHE A 10 3.413 7.664 4.410 1.00 0.00 C ATOM 158 CD1 PHE A 10 3.731 8.878 3.703 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.043 7.379 4.750 1.00 0.00 C ATOM 160 CE1 PHE A 10 2.688 9.800 3.339 1.00 0.00 C ATOM 161 CE2 PHE A 10 0.997 8.299 4.387 1.00 0.00 C ATOM 162 CZ PHE A 10 1.321 9.510 3.682 1.00 0.00 C ATOM 0 H PHE A 10 6.414 4.990 4.763 1.00 0.00 H new ATOM 0 HA PHE A 10 3.798 5.212 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.231 6.193 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.422 7.250 4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.757 9.097 3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.799 6.470 5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.931 10.709 2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.029 8.080 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.538 10.202 3.410 1.00 0.00 H new ATOM 172 N PHE A 11 4.564 6.324 1.382 1.00 0.00 N ATOM 173 CA PHE A 11 4.989 7.027 0.186 1.00 0.00 C ATOM 174 C PHE A 11 3.930 8.075 -0.166 1.00 0.00 C ATOM 175 O PHE A 11 2.788 7.770 -0.486 1.00 0.00 O ATOM 176 CB PHE A 11 5.197 6.040 -0.966 1.00 0.00 C ATOM 177 CG PHE A 11 6.467 5.254 -0.804 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.708 4.470 0.381 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.462 5.283 -1.846 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.930 3.724 0.525 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.685 4.538 -1.707 1.00 0.00 C ATOM 182 CZ PHE A 11 8.918 3.759 -0.521 1.00 0.00 C ATOM 0 H PHE A 11 3.667 5.843 1.319 1.00 0.00 H new ATOM 0 HA PHE A 11 5.942 7.526 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.350 5.356 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.224 6.584 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.967 4.442 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.289 5.868 -2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.105 3.139 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.426 4.564 -2.492 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.836 3.199 -0.415 1.00 0.00 H new ATOM 192 N GLY A 12 4.395 9.331 -0.057 1.00 0.00 N ATOM 193 CA GLY A 12 3.464 10.428 -0.232 1.00 0.00 C ATOM 194 C GLY A 12 3.120 10.643 -1.706 1.00 0.00 C ATOM 195 O GLY A 12 3.979 10.848 -2.556 1.00 0.00 O ATOM 0 H GLY A 12 5.361 9.592 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.552 10.225 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.895 11.341 0.179 1.00 0.00 H new ATOM 199 N LYS A 13 1.793 10.595 -1.920 1.00 0.00 N ATOM 200 CA LYS A 13 1.237 10.883 -3.229 1.00 0.00 C ATOM 201 C LYS A 13 2.191 10.450 -4.344 1.00 0.00 C ATOM 202 O LYS A 13 2.432 11.174 -5.302 1.00 0.00 O ATOM 203 CB LYS A 13 0.933 12.378 -3.334 1.00 0.00 C ATOM 204 CG LYS A 13 0.111 12.874 -2.142 1.00 0.00 C ATOM 205 CD LYS A 13 -0.100 14.389 -2.181 1.00 0.00 C ATOM 206 CE LYS A 13 1.217 15.150 -2.026 1.00 0.00 C ATOM 207 NZ LYS A 13 1.029 16.596 -2.053 1.00 0.00 N ATOM 0 H LYS A 13 1.104 10.361 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 13 0.314 10.316 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.868 12.936 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.389 12.575 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.857 12.373 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.616 12.602 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.571 14.666 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.785 14.681 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.690 14.865 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.898 14.860 -2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.949 17.068 -1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.602 16.874 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.401 16.879 -1.274 1.00 0.00 H new ATOM 221 N ILE A 14 2.712 9.225 -4.153 1.00 0.00 N ATOM 222 CA ILE A 14 3.597 8.712 -5.177 1.00 0.00 C ATOM 223 C ILE A 14 2.759 8.296 -6.393 1.00 0.00 C ATOM 224 O ILE A 14 1.768 7.587 -6.265 1.00 0.00 O ATOM 225 CB ILE A 14 4.363 7.507 -4.631 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.558 7.176 -5.523 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.437 6.299 -4.490 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.624 8.268 -5.446 1.00 0.00 C ATOM 0 H ILE A 14 2.544 8.617 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 14 4.312 9.480 -5.473 1.00 0.00 H new ATOM 0 HB ILE A 14 4.741 7.762 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.989 6.222 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.225 7.062 -6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.001 5.452 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.625 6.541 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.024 6.042 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.462 8.005 -6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.198 9.216 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.974 8.363 -4.418 1.00 0.00 H new ATOM 240 N PRO A 15 3.197 8.766 -7.585 1.00 0.00 N ATOM 241 CA PRO A 15 2.519 8.439 -8.829 1.00 0.00 C ATOM 242 C PRO A 15 2.181 6.953 -8.944 1.00 0.00 C ATOM 243 O PRO A 15 3.044 6.085 -8.892 1.00 0.00 O ATOM 244 CB PRO A 15 3.510 8.860 -9.913 1.00 0.00 C ATOM 245 CG PRO A 15 4.378 9.938 -9.256 1.00 0.00 C ATOM 246 CD PRO A 15 4.378 9.600 -7.762 1.00 0.00 C ATOM 0 HA PRO A 15 1.557 8.947 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.113 8.016 -10.246 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.994 9.249 -10.791 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.390 9.930 -9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.971 10.933 -9.434 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.286 9.071 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.325 10.500 -7.150 1.00 0.00 H new ATOM 254 N ARG A 16 0.864 6.726 -9.096 1.00 0.00 N ATOM 255 CA ARG A 16 0.396 5.354 -9.173 1.00 0.00 C ATOM 256 C ARG A 16 1.351 4.504 -10.021 1.00 0.00 C ATOM 257 O ARG A 16 1.663 3.366 -9.693 1.00 0.00 O ATOM 258 CB ARG A 16 -1.009 5.322 -9.773 1.00 0.00 C ATOM 259 CG ARG A 16 -1.567 3.900 -9.846 1.00 0.00 C ATOM 260 CD ARG A 16 -2.972 3.870 -10.448 1.00 0.00 C ATOM 261 NE ARG A 16 -2.949 4.416 -11.792 1.00 0.00 N ATOM 262 CZ ARG A 16 -4.081 4.386 -12.521 1.00 0.00 C ATOM 263 NH1 ARG A 16 -5.194 3.865 -12.014 1.00 0.00 N ATOM 264 NH2 ARG A 16 -4.086 4.882 -13.756 1.00 0.00 N ATOM 0 H ARG A 16 0.144 7.445 -9.164 1.00 0.00 H new ATOM 0 HA ARG A 16 0.367 4.937 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.674 5.942 -9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.986 5.755 -10.773 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.902 3.279 -10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.591 3.468 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.345 2.846 -10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.656 4.446 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.093 4.815 -12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.194 3.485 -11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.048 3.845 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.234 5.283 -14.148 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.942 4.861 -14.311 1.00 0.00 H new ATOM 278 N ALA A 17 1.796 5.137 -11.121 1.00 0.00 N ATOM 279 CA ALA A 17 2.725 4.432 -11.982 1.00 0.00 C ATOM 280 C ALA A 17 4.002 4.107 -11.203 1.00 0.00 C ATOM 281 O ALA A 17 4.305 2.957 -10.908 1.00 0.00 O ATOM 282 CB ALA A 17 3.056 5.292 -13.201 1.00 0.00 C ATOM 0 H ALA A 17 1.539 6.080 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 17 2.269 3.502 -12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.755 4.757 -13.845 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.142 5.505 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.508 6.228 -12.874 1.00 0.00 H new ATOM 288 N LYS A 18 4.725 5.201 -10.900 1.00 0.00 N ATOM 289 CA LYS A 18 5.992 5.044 -10.206 1.00 0.00 C ATOM 290 C LYS A 18 5.900 3.936 -9.154 1.00 0.00 C ATOM 291 O LYS A 18 6.759 3.069 -9.055 1.00 0.00 O ATOM 292 CB LYS A 18 6.382 6.362 -9.540 1.00 0.00 C ATOM 293 CG LYS A 18 7.775 6.275 -8.920 1.00 0.00 C ATOM 294 CD LYS A 18 8.859 6.079 -9.981 1.00 0.00 C ATOM 295 CE LYS A 18 8.949 7.272 -10.932 1.00 0.00 C ATOM 296 NZ LYS A 18 9.981 7.096 -11.947 1.00 0.00 N ATOM 0 H LYS A 18 4.459 6.161 -11.119 1.00 0.00 H new ATOM 0 HA LYS A 18 6.754 4.766 -10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.358 7.166 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.653 6.613 -8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.979 7.185 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.806 5.447 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.822 5.931 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.649 5.175 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.985 7.419 -11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.157 8.175 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.004 7.930 -12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.906 6.983 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.770 6.249 -12.513 1.00 0.00 H new ATOM 310 N ALA A 19 4.802 4.026 -8.384 1.00 0.00 N ATOM 311 CA ALA A 19 4.617 3.025 -7.351 1.00 0.00 C ATOM 312 C ALA A 19 4.784 1.636 -7.966 1.00 0.00 C ATOM 313 O ALA A 19 5.708 0.895 -7.658 1.00 0.00 O ATOM 314 CB ALA A 19 3.225 3.165 -6.735 1.00 0.00 C ATOM 0 H ALA A 19 4.077 4.739 -8.456 1.00 0.00 H new ATOM 0 HA ALA A 19 5.360 3.165 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.093 2.410 -5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.119 4.157 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.469 3.027 -7.508 1.00 0.00 H new ATOM 320 N GLU A 20 3.817 1.346 -8.855 1.00 0.00 N ATOM 321 CA GLU A 20 3.844 0.050 -9.508 1.00 0.00 C ATOM 322 C GLU A 20 5.271 -0.309 -9.927 1.00 0.00 C ATOM 323 O GLU A 20 5.732 -1.431 -9.761 1.00 0.00 O ATOM 324 CB GLU A 20 2.951 0.084 -10.749 1.00 0.00 C ATOM 325 CG GLU A 20 1.479 0.298 -10.391 1.00 0.00 C ATOM 326 CD GLU A 20 0.635 0.334 -11.666 1.00 0.00 C ATOM 327 OE1 GLU A 20 0.481 1.411 -12.238 1.00 0.00 O ATOM 328 OE2 GLU A 20 0.135 -0.715 -12.068 1.00 0.00 O ATOM 0 H GLU A 20 3.049 1.963 -9.120 1.00 0.00 H new ATOM 0 HA GLU A 20 3.480 -0.701 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.283 0.883 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.058 -0.851 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.134 -0.504 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.361 1.231 -9.840 1.00 0.00 H new ATOM 335 N GLU A 21 5.926 0.719 -10.494 1.00 0.00 N ATOM 336 CA GLU A 21 7.238 0.470 -11.054 1.00 0.00 C ATOM 337 C GLU A 21 8.227 0.073 -9.954 1.00 0.00 C ATOM 338 O GLU A 21 8.510 -1.099 -9.737 1.00 0.00 O ATOM 339 CB GLU A 21 7.717 1.715 -11.800 1.00 0.00 C ATOM 340 CG GLU A 21 6.709 2.139 -12.868 1.00 0.00 C ATOM 341 CD GLU A 21 7.272 3.302 -13.688 1.00 0.00 C ATOM 342 OE1 GLU A 21 8.486 3.355 -13.873 1.00 0.00 O ATOM 343 OE2 GLU A 21 6.490 4.144 -14.125 1.00 0.00 O ATOM 0 H GLU A 21 5.581 1.676 -10.569 1.00 0.00 H new ATOM 0 HA GLU A 21 7.177 -0.360 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.867 2.531 -11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.682 1.515 -12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.485 1.297 -13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.772 2.435 -12.398 1.00 0.00 H new ATOM 350 N MET A 22 8.745 1.124 -9.295 1.00 0.00 N ATOM 351 CA MET A 22 9.751 0.859 -8.282 1.00 0.00 C ATOM 352 C MET A 22 9.314 -0.280 -7.349 1.00 0.00 C ATOM 353 O MET A 22 10.126 -1.080 -6.899 1.00 0.00 O ATOM 354 CB MET A 22 10.023 2.126 -7.473 1.00 0.00 C ATOM 355 CG MET A 22 8.810 2.552 -6.647 1.00 0.00 C ATOM 356 SD MET A 22 9.162 4.030 -5.681 1.00 0.00 S ATOM 357 CE MET A 22 10.040 3.235 -4.324 1.00 0.00 C ATOM 0 H MET A 22 8.497 2.103 -9.439 1.00 0.00 H new ATOM 0 HA MET A 22 10.667 0.549 -8.785 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.871 1.957 -6.810 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.303 2.934 -8.149 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.965 2.740 -7.309 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.518 1.740 -5.980 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.576 3.988 -3.746 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.326 2.723 -3.679 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.750 2.512 -4.724 1.00 0.00 H new ATOM 367 N LEU A 23 7.993 -0.302 -7.086 1.00 0.00 N ATOM 368 CA LEU A 23 7.480 -1.324 -6.186 1.00 0.00 C ATOM 369 C LEU A 23 7.586 -2.727 -6.805 1.00 0.00 C ATOM 370 O LEU A 23 7.782 -3.714 -6.107 1.00 0.00 O ATOM 371 CB LEU A 23 6.026 -1.014 -5.833 1.00 0.00 C ATOM 372 CG LEU A 23 5.445 -2.007 -4.825 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.251 -2.009 -3.527 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.984 -1.670 -4.533 1.00 0.00 C ATOM 0 H LEU A 23 7.302 0.344 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 23 8.087 -1.315 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.962 -0.006 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.424 -1.028 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 23 5.501 -3.004 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.815 -2.724 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.282 -2.292 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.232 -1.013 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.582 -2.384 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.918 -0.664 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.407 -1.721 -5.456 1.00 0.00 H new ATOM 386 N SER A 24 7.450 -2.760 -8.146 1.00 0.00 N ATOM 387 CA SER A 24 7.583 -4.045 -8.812 1.00 0.00 C ATOM 388 C SER A 24 9.054 -4.492 -8.871 1.00 0.00 C ATOM 389 O SER A 24 9.367 -5.674 -8.790 1.00 0.00 O ATOM 390 CB SER A 24 7.011 -3.946 -10.227 1.00 0.00 C ATOM 391 OG SER A 24 7.090 -5.188 -10.881 1.00 0.00 O ATOM 0 H SER A 24 7.260 -1.959 -8.748 1.00 0.00 H new ATOM 0 HA SER A 24 7.028 -4.789 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.973 -3.618 -10.183 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.559 -3.194 -10.795 1.00 0.00 H new ATOM 0 HG SER A 24 6.718 -5.106 -11.784 1.00 0.00 H new ATOM 397 N LYS A 25 9.929 -3.476 -9.014 1.00 0.00 N ATOM 398 CA LYS A 25 11.350 -3.760 -9.087 1.00 0.00 C ATOM 399 C LYS A 25 11.899 -4.043 -7.684 1.00 0.00 C ATOM 400 O LYS A 25 12.950 -3.552 -7.292 1.00 0.00 O ATOM 401 CB LYS A 25 12.056 -2.545 -9.687 1.00 0.00 C ATOM 402 CG LYS A 25 11.397 -2.102 -10.994 1.00 0.00 C ATOM 403 CD LYS A 25 11.917 -0.750 -11.483 1.00 0.00 C ATOM 404 CE LYS A 25 13.340 -0.834 -12.039 1.00 0.00 C ATOM 405 NZ LYS A 25 14.333 -1.106 -11.007 1.00 0.00 N ATOM 0 H LYS A 25 9.676 -2.490 -9.078 1.00 0.00 H new ATOM 0 HA LYS A 25 11.523 -4.637 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.037 -1.722 -8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.103 -2.785 -9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.576 -2.855 -11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.318 -2.043 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.251 -0.366 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.894 -0.036 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.384 -1.618 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.587 0.104 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.179 -0.525 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.936 -0.875 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.593 -2.113 -11.033 1.00 0.00 H new ATOM 419 N GLN A 26 11.105 -4.849 -6.955 1.00 0.00 N ATOM 420 CA GLN A 26 11.457 -5.102 -5.563 1.00 0.00 C ATOM 421 C GLN A 26 11.841 -6.568 -5.267 1.00 0.00 C ATOM 422 O GLN A 26 12.247 -6.901 -4.160 1.00 0.00 O ATOM 423 CB GLN A 26 10.278 -4.668 -4.695 1.00 0.00 C ATOM 424 CG GLN A 26 9.943 -3.199 -4.933 1.00 0.00 C ATOM 425 CD GLN A 26 11.049 -2.295 -4.384 1.00 0.00 C ATOM 426 OE1 GLN A 26 12.183 -2.708 -4.173 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.629 -1.038 -4.154 1.00 0.00 N ATOM 0 H GLN A 26 10.260 -5.311 -7.291 1.00 0.00 H new ATOM 0 HA GLN A 26 12.354 -4.526 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.408 -5.285 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.517 -4.825 -3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.816 -3.018 -6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.995 -2.955 -4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.664 -0.777 -4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.275 -0.346 -3.775 1.00 0.00 H new ATOM 436 N ARG A 27 11.707 -7.405 -6.311 1.00 0.00 N ATOM 437 CA ARG A 27 12.113 -8.792 -6.214 1.00 0.00 C ATOM 438 C ARG A 27 11.870 -9.353 -4.809 1.00 0.00 C ATOM 439 O ARG A 27 12.664 -10.118 -4.278 1.00 0.00 O ATOM 440 CB ARG A 27 13.587 -8.908 -6.593 1.00 0.00 C ATOM 441 CG ARG A 27 13.855 -10.200 -7.356 1.00 0.00 C ATOM 442 CD ARG A 27 13.208 -10.156 -8.741 1.00 0.00 C ATOM 443 NE ARG A 27 13.751 -9.052 -9.509 1.00 0.00 N ATOM 444 CZ ARG A 27 13.220 -8.781 -10.716 1.00 0.00 C ATOM 445 NH1 ARG A 27 12.216 -9.514 -11.188 1.00 0.00 N ATOM 446 NH2 ARG A 27 13.702 -7.774 -11.441 1.00 0.00 N ATOM 0 H ARG A 27 11.323 -7.136 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 27 11.509 -9.383 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.877 -8.054 -7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.201 -8.879 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.930 -10.352 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.464 -11.048 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.386 -11.096 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.128 -10.045 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 27 14.520 -8.492 -9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.844 -10.286 -10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.818 -9.304 -12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.472 -7.210 -11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.301 -7.567 -12.356 1.00 0.00 H new ATOM 460 N HIS A 28 10.727 -8.922 -4.246 1.00 0.00 N ATOM 461 CA HIS A 28 10.417 -9.389 -2.908 1.00 0.00 C ATOM 462 C HIS A 28 8.915 -9.261 -2.648 1.00 0.00 C ATOM 463 O HIS A 28 8.381 -8.172 -2.471 1.00 0.00 O ATOM 464 CB HIS A 28 11.203 -8.560 -1.894 1.00 0.00 C ATOM 465 CG HIS A 28 11.010 -9.132 -0.509 1.00 0.00 C ATOM 466 ND1 HIS A 28 9.891 -9.769 -0.103 1.00 0.00 N ATOM 467 CD2 HIS A 28 11.919 -9.105 0.563 1.00 0.00 C ATOM 468 CE1 HIS A 28 10.113 -10.118 1.177 1.00 0.00 C ATOM 469 NE2 HIS A 28 11.328 -9.731 1.605 1.00 0.00 N ATOM 0 H HIS A 28 10.049 -8.291 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 28 10.697 -10.438 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 28 12.262 -8.559 -2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.868 -7.523 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.906 -8.666 0.555 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.399 -10.647 1.790 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.725 -9.880 2.533 1.00 0.00 H new ATOM 477 N ASP A 29 8.277 -10.444 -2.636 1.00 0.00 N ATOM 478 CA ASP A 29 6.848 -10.449 -2.407 1.00 0.00 C ATOM 479 C ASP A 29 6.547 -9.886 -1.017 1.00 0.00 C ATOM 480 O ASP A 29 6.902 -10.461 0.004 1.00 0.00 O ATOM 481 CB ASP A 29 6.327 -11.880 -2.523 1.00 0.00 C ATOM 482 CG ASP A 29 6.995 -12.763 -1.467 1.00 0.00 C ATOM 483 OD1 ASP A 29 8.210 -12.941 -1.535 1.00 0.00 O ATOM 484 OD2 ASP A 29 6.293 -13.263 -0.590 1.00 0.00 O ATOM 0 H ASP A 29 8.711 -11.356 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 29 6.352 -9.825 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.245 -11.895 -2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.532 -12.271 -3.520 1.00 0.00 H new ATOM 489 N GLY A 30 5.866 -8.726 -1.052 1.00 0.00 N ATOM 490 CA GLY A 30 5.520 -8.110 0.217 1.00 0.00 C ATOM 491 C GLY A 30 5.750 -6.592 0.204 1.00 0.00 C ATOM 492 O GLY A 30 5.043 -5.837 0.859 1.00 0.00 O ATOM 0 H GLY A 30 5.566 -8.231 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.474 -8.316 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.115 -8.560 1.012 1.00 0.00 H new ATOM 496 N ALA A 31 6.773 -6.192 -0.577 1.00 0.00 N ATOM 497 CA ALA A 31 7.093 -4.777 -0.642 1.00 0.00 C ATOM 498 C ALA A 31 5.809 -3.945 -0.699 1.00 0.00 C ATOM 499 O ALA A 31 4.924 -4.178 -1.513 1.00 0.00 O ATOM 500 CB ALA A 31 7.956 -4.499 -1.874 1.00 0.00 C ATOM 0 H ALA A 31 7.360 -6.806 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 31 7.648 -4.497 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.194 -3.436 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.879 -5.075 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.411 -4.787 -2.773 1.00 0.00 H new ATOM 506 N PHE A 32 5.771 -2.976 0.232 1.00 0.00 N ATOM 507 CA PHE A 32 4.571 -2.163 0.302 1.00 0.00 C ATOM 508 C PHE A 32 4.945 -0.684 0.465 1.00 0.00 C ATOM 509 O PHE A 32 5.801 -0.300 1.253 1.00 0.00 O ATOM 510 CB PHE A 32 3.656 -2.714 1.418 1.00 0.00 C ATOM 511 CG PHE A 32 2.750 -1.706 2.079 1.00 0.00 C ATOM 512 CD1 PHE A 32 1.997 -0.766 1.294 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.608 -1.682 3.512 1.00 0.00 C ATOM 514 CE1 PHE A 32 1.129 0.187 1.920 1.00 0.00 C ATOM 515 CE2 PHE A 32 1.733 -0.738 4.152 1.00 0.00 C ATOM 516 CZ PHE A 32 0.992 0.197 3.351 1.00 0.00 C ATOM 0 H PHE A 32 6.509 -2.754 0.900 1.00 0.00 H new ATOM 0 HA PHE A 32 4.002 -2.219 -0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.039 -3.508 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.283 -3.169 2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.087 -0.778 0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.167 -2.383 4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.579 0.896 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.633 -0.732 5.227 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.331 0.908 3.825 1.00 0.00 H new ATOM 526 N LEU A 33 4.194 0.100 -0.329 1.00 0.00 N ATOM 527 CA LEU A 33 4.112 1.511 -0.008 1.00 0.00 C ATOM 528 C LEU A 33 2.635 1.901 0.056 1.00 0.00 C ATOM 529 O LEU A 33 1.792 1.345 -0.637 1.00 0.00 O ATOM 530 CB LEU A 33 4.869 2.376 -1.014 1.00 0.00 C ATOM 531 CG LEU A 33 4.453 2.158 -2.468 1.00 0.00 C ATOM 532 CD1 LEU A 33 3.207 2.971 -2.825 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.604 2.548 -3.394 1.00 0.00 C ATOM 0 H LEU A 33 3.669 -0.207 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 33 4.588 1.686 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.719 3.425 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.936 2.174 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 33 4.213 1.102 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.941 2.791 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.380 2.670 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.411 4.032 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.306 2.392 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.853 3.598 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.475 1.932 -3.171 1.00 0.00 H new ATOM 545 N ILE A 34 2.374 2.877 0.946 1.00 0.00 N ATOM 546 CA ILE A 34 1.012 3.347 1.060 1.00 0.00 C ATOM 547 C ILE A 34 0.921 4.743 0.440 1.00 0.00 C ATOM 548 O ILE A 34 1.368 5.737 1.001 1.00 0.00 O ATOM 549 CB ILE A 34 0.600 3.318 2.541 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.806 2.740 2.703 1.00 0.00 C ATOM 551 CG2 ILE A 34 0.657 4.709 3.174 1.00 0.00 C ATOM 552 CD1 ILE A 34 -1.312 2.826 4.144 1.00 0.00 C ATOM 0 H ILE A 34 3.056 3.324 1.558 1.00 0.00 H new ATOM 0 HA ILE A 34 0.317 2.705 0.519 1.00 0.00 H new ATOM 0 HB ILE A 34 1.315 2.677 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.493 3.275 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.806 1.698 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.359 4.645 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.674 5.097 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.021 5.378 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.314 2.402 4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.643 2.268 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.340 3.869 4.458 1.00 0.00 H new ATOM 564 N ARG A 35 0.330 4.739 -0.768 1.00 0.00 N ATOM 565 CA ARG A 35 0.278 5.994 -1.491 1.00 0.00 C ATOM 566 C ARG A 35 -0.931 6.810 -1.029 1.00 0.00 C ATOM 567 O ARG A 35 -2.064 6.345 -1.007 1.00 0.00 O ATOM 568 CB ARG A 35 0.234 5.746 -3.002 1.00 0.00 C ATOM 569 CG ARG A 35 -0.974 4.914 -3.427 1.00 0.00 C ATOM 570 CD ARG A 35 -0.645 3.423 -3.535 1.00 0.00 C ATOM 571 NE ARG A 35 0.129 3.170 -4.737 1.00 0.00 N ATOM 572 CZ ARG A 35 -0.529 3.016 -5.903 1.00 0.00 C ATOM 573 NH1 ARG A 35 -1.856 3.113 -5.947 1.00 0.00 N ATOM 574 NH2 ARG A 35 0.151 2.767 -7.018 1.00 0.00 N ATOM 0 H ARG A 35 -0.089 3.932 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 35 1.182 6.565 -1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.212 6.703 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.147 5.237 -3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.780 5.054 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.339 5.274 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.084 3.102 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.566 2.840 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 35 1.147 3.110 -4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.382 3.305 -5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.347 2.995 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.168 2.693 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.344 2.650 -7.902 1.00 0.00 H new ATOM 588 N GLU A 36 -0.599 8.058 -0.655 1.00 0.00 N ATOM 589 CA GLU A 36 -1.665 8.934 -0.205 1.00 0.00 C ATOM 590 C GLU A 36 -2.234 9.710 -1.394 1.00 0.00 C ATOM 591 O GLU A 36 -1.510 10.308 -2.180 1.00 0.00 O ATOM 592 CB GLU A 36 -1.127 9.904 0.848 1.00 0.00 C ATOM 593 CG GLU A 36 -2.217 10.842 1.368 1.00 0.00 C ATOM 594 CD GLU A 36 -1.631 11.785 2.421 1.00 0.00 C ATOM 595 OE1 GLU A 36 -1.585 11.403 3.590 1.00 0.00 O ATOM 596 OE2 GLU A 36 -1.233 12.892 2.061 1.00 0.00 O ATOM 0 H GLU A 36 0.341 8.454 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.460 8.335 0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.706 9.340 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.316 10.492 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.637 11.419 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.033 10.262 1.800 1.00 0.00 H new ATOM 603 N SER A 37 -3.576 9.663 -1.470 1.00 0.00 N ATOM 604 CA SER A 37 -4.254 10.386 -2.528 1.00 0.00 C ATOM 605 C SER A 37 -3.587 11.748 -2.752 1.00 0.00 C ATOM 606 O SER A 37 -3.470 12.574 -1.855 1.00 0.00 O ATOM 607 CB SER A 37 -5.712 10.559 -2.115 1.00 0.00 C ATOM 608 OG SER A 37 -5.801 10.721 -0.722 1.00 0.00 O ATOM 0 H SER A 37 -4.182 9.149 -0.831 1.00 0.00 H new ATOM 0 HA SER A 37 -4.196 9.834 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.141 11.426 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.292 9.690 -2.426 1.00 0.00 H new ATOM 0 HG SER A 37 -5.913 11.671 -0.510 1.00 0.00 H new ATOM 614 N GLU A 38 -3.153 11.905 -4.017 1.00 0.00 N ATOM 615 CA GLU A 38 -2.436 13.114 -4.379 1.00 0.00 C ATOM 616 C GLU A 38 -3.199 14.354 -3.905 1.00 0.00 C ATOM 617 O GLU A 38 -2.669 15.210 -3.209 1.00 0.00 O ATOM 618 CB GLU A 38 -2.254 13.163 -5.897 1.00 0.00 C ATOM 619 CG GLU A 38 -1.469 14.397 -6.338 1.00 0.00 C ATOM 620 CD GLU A 38 -1.316 14.400 -7.860 1.00 0.00 C ATOM 621 OE1 GLU A 38 -2.220 13.920 -8.542 1.00 0.00 O ATOM 622 OE2 GLU A 38 -0.292 14.878 -8.345 1.00 0.00 O ATOM 0 H GLU A 38 -3.285 11.231 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.460 13.104 -3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.734 12.264 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.231 13.163 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.984 15.301 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.487 14.402 -5.865 1.00 0.00 H new ATOM 629 N SER A 39 -4.471 14.394 -4.341 1.00 0.00 N ATOM 630 CA SER A 39 -5.260 15.570 -4.029 1.00 0.00 C ATOM 631 C SER A 39 -5.986 15.377 -2.692 1.00 0.00 C ATOM 632 O SER A 39 -5.446 15.647 -1.626 1.00 0.00 O ATOM 633 CB SER A 39 -6.245 15.848 -5.167 1.00 0.00 C ATOM 634 OG SER A 39 -7.088 14.745 -5.383 1.00 0.00 O ATOM 0 H SER A 39 -4.942 13.666 -4.878 1.00 0.00 H new ATOM 0 HA SER A 39 -4.604 16.435 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.844 16.727 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.696 16.075 -6.081 1.00 0.00 H new ATOM 0 HG SER A 39 -7.710 14.946 -6.113 1.00 0.00 H new ATOM 640 N ALA A 40 -7.241 14.912 -2.818 1.00 0.00 N ATOM 641 CA ALA A 40 -8.021 14.716 -1.611 1.00 0.00 C ATOM 642 C ALA A 40 -7.236 13.832 -0.650 1.00 0.00 C ATOM 643 O ALA A 40 -6.615 12.857 -1.052 1.00 0.00 O ATOM 644 CB ALA A 40 -9.323 13.995 -1.957 1.00 0.00 C ATOM 0 H ALA A 40 -7.706 14.680 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.233 15.685 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.909 13.848 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.894 14.595 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.095 13.027 -2.403 1.00 0.00 H new ATOM 650 N PRO A 41 -7.304 14.197 0.648 1.00 0.00 N ATOM 651 CA PRO A 41 -6.767 13.346 1.694 1.00 0.00 C ATOM 652 C PRO A 41 -7.780 12.217 1.913 1.00 0.00 C ATOM 653 O PRO A 41 -8.471 11.809 0.987 1.00 0.00 O ATOM 654 CB PRO A 41 -6.710 14.288 2.901 1.00 0.00 C ATOM 655 CG PRO A 41 -7.825 15.311 2.652 1.00 0.00 C ATOM 656 CD PRO A 41 -7.926 15.422 1.129 1.00 0.00 C ATOM 0 HA PRO A 41 -5.797 12.893 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.871 13.747 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.737 14.774 2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.768 14.981 3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.585 16.274 3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.963 15.499 0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.408 16.306 0.757 1.00 0.00 H new ATOM 664 N GLY A 42 -7.870 11.789 3.187 1.00 0.00 N ATOM 665 CA GLY A 42 -8.908 10.838 3.555 1.00 0.00 C ATOM 666 C GLY A 42 -8.774 9.470 2.857 1.00 0.00 C ATOM 667 O GLY A 42 -9.359 8.486 3.291 1.00 0.00 O ATOM 0 H GLY A 42 -7.255 12.080 3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.885 10.689 4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.881 11.265 3.313 1.00 0.00 H new ATOM 671 N ASP A 43 -7.999 9.459 1.757 1.00 0.00 N ATOM 672 CA ASP A 43 -7.979 8.249 0.957 1.00 0.00 C ATOM 673 C ASP A 43 -6.542 7.768 0.742 1.00 0.00 C ATOM 674 O ASP A 43 -5.638 8.534 0.429 1.00 0.00 O ATOM 675 CB ASP A 43 -8.647 8.525 -0.390 1.00 0.00 C ATOM 676 CG ASP A 43 -10.094 8.971 -0.168 1.00 0.00 C ATOM 677 OD1 ASP A 43 -10.698 8.537 0.811 1.00 0.00 O ATOM 678 OD2 ASP A 43 -10.597 9.752 -0.974 1.00 0.00 O ATOM 0 H ASP A 43 -7.417 10.229 1.427 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.525 7.466 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.097 9.297 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.624 7.628 -1.009 1.00 0.00 H new ATOM 683 N PHE A 44 -6.408 6.442 0.926 1.00 0.00 N ATOM 684 CA PHE A 44 -5.114 5.830 0.695 1.00 0.00 C ATOM 685 C PHE A 44 -5.297 4.561 -0.140 1.00 0.00 C ATOM 686 O PHE A 44 -6.369 4.284 -0.665 1.00 0.00 O ATOM 687 CB PHE A 44 -4.460 5.491 2.035 1.00 0.00 C ATOM 688 CG PHE A 44 -4.262 6.720 2.872 1.00 0.00 C ATOM 689 CD1 PHE A 44 -5.339 7.227 3.682 1.00 0.00 C ATOM 690 CD2 PHE A 44 -2.993 7.401 2.873 1.00 0.00 C ATOM 691 CE1 PHE A 44 -5.151 8.406 4.487 1.00 0.00 C ATOM 692 CE2 PHE A 44 -2.800 8.579 3.676 1.00 0.00 C ATOM 693 CZ PHE A 44 -3.880 9.080 4.484 1.00 0.00 C ATOM 0 H PHE A 44 -7.151 5.809 1.221 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.470 6.524 0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.082 4.777 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.498 5.008 1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.293 6.720 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.182 7.025 2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.962 8.783 5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.847 9.086 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.736 9.963 5.089 1.00 0.00 H new ATOM 703 N SER A 45 -4.183 3.811 -0.221 1.00 0.00 N ATOM 704 CA SER A 45 -4.249 2.572 -0.976 1.00 0.00 C ATOM 705 C SER A 45 -2.973 1.762 -0.739 1.00 0.00 C ATOM 706 O SER A 45 -1.870 2.292 -0.690 1.00 0.00 O ATOM 707 CB SER A 45 -4.450 2.869 -2.462 1.00 0.00 C ATOM 708 OG SER A 45 -3.411 3.673 -2.957 1.00 0.00 O ATOM 0 H SER A 45 -3.282 4.032 0.203 1.00 0.00 H new ATOM 0 HA SER A 45 -5.101 1.982 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.490 1.934 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.406 3.371 -2.611 1.00 0.00 H new ATOM 0 HG SER A 45 -3.696 4.611 -2.961 1.00 0.00 H new ATOM 714 N LEU A 46 -3.210 0.449 -0.566 1.00 0.00 N ATOM 715 CA LEU A 46 -2.095 -0.393 -0.175 1.00 0.00 C ATOM 716 C LEU A 46 -1.507 -1.100 -1.396 1.00 0.00 C ATOM 717 O LEU A 46 -2.135 -1.946 -2.019 1.00 0.00 O ATOM 718 CB LEU A 46 -2.575 -1.424 0.844 1.00 0.00 C ATOM 719 CG LEU A 46 -1.464 -1.858 1.800 1.00 0.00 C ATOM 720 CD1 LEU A 46 -2.038 -2.722 2.913 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.311 -2.580 1.094 1.00 0.00 C ATOM 0 H LEU A 46 -4.109 -0.018 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.318 0.227 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.402 -1.006 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.961 -2.298 0.319 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.040 -0.949 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.238 -3.025 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.784 -2.153 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.504 -3.608 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.445 -2.862 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.690 -3.475 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.133 -1.917 0.352 1.00 0.00 H new ATOM 733 N SER A 47 -0.256 -0.699 -1.679 1.00 0.00 N ATOM 734 CA SER A 47 0.439 -1.332 -2.783 1.00 0.00 C ATOM 735 C SER A 47 1.309 -2.471 -2.249 1.00 0.00 C ATOM 736 O SER A 47 2.029 -2.321 -1.271 1.00 0.00 O ATOM 737 CB SER A 47 1.318 -0.299 -3.484 1.00 0.00 C ATOM 738 OG SER A 47 2.289 0.192 -2.598 1.00 0.00 O ATOM 0 H SER A 47 0.263 0.024 -1.181 1.00 0.00 H new ATOM 0 HA SER A 47 -0.285 -1.733 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.801 -0.750 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.703 0.522 -3.853 1.00 0.00 H new ATOM 0 HG SER A 47 1.851 0.683 -1.872 1.00 0.00 H new ATOM 744 N VAL A 48 1.198 -3.613 -2.949 1.00 0.00 N ATOM 745 CA VAL A 48 2.027 -4.731 -2.542 1.00 0.00 C ATOM 746 C VAL A 48 2.647 -5.376 -3.779 1.00 0.00 C ATOM 747 O VAL A 48 2.054 -5.408 -4.851 1.00 0.00 O ATOM 748 CB VAL A 48 1.182 -5.779 -1.818 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.063 -6.924 -1.315 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.391 -5.146 -0.678 1.00 0.00 C ATOM 0 H VAL A 48 0.582 -3.772 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 48 2.806 -4.365 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 48 0.465 -6.193 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.445 -7.661 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.564 -7.396 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.809 -6.532 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.202 -5.911 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.080 -4.696 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.271 -4.377 -1.077 1.00 0.00 H new ATOM 760 N LYS A 49 3.865 -5.903 -3.563 1.00 0.00 N ATOM 761 CA LYS A 49 4.423 -6.676 -4.654 1.00 0.00 C ATOM 762 C LYS A 49 3.877 -8.103 -4.582 1.00 0.00 C ATOM 763 O LYS A 49 4.337 -8.931 -3.806 1.00 0.00 O ATOM 764 CB LYS A 49 5.949 -6.713 -4.585 1.00 0.00 C ATOM 765 CG LYS A 49 6.504 -7.574 -5.722 1.00 0.00 C ATOM 766 CD LYS A 49 8.015 -7.765 -5.650 1.00 0.00 C ATOM 767 CE LYS A 49 8.507 -8.767 -6.694 1.00 0.00 C ATOM 768 NZ LYS A 49 8.301 -8.293 -8.058 1.00 0.00 N ATOM 0 H LYS A 49 4.430 -5.815 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 49 4.138 -6.205 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.349 -5.701 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.268 -7.116 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.020 -8.550 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.248 -7.113 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.511 -6.807 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.291 -8.111 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.568 -8.961 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.986 -9.715 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.755 -8.949 -8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.282 -8.245 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.719 -7.347 -8.164 1.00 0.00 H new ATOM 782 N PHE A 50 2.875 -8.332 -5.449 1.00 0.00 N ATOM 783 CA PHE A 50 2.318 -9.669 -5.503 1.00 0.00 C ATOM 784 C PHE A 50 2.512 -10.226 -6.911 1.00 0.00 C ATOM 785 O PHE A 50 1.802 -9.872 -7.846 1.00 0.00 O ATOM 786 CB PHE A 50 0.832 -9.630 -5.141 1.00 0.00 C ATOM 787 CG PHE A 50 0.212 -10.994 -5.218 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.992 -12.168 -4.916 1.00 0.00 C ATOM 789 CD2 PHE A 50 -1.170 -11.141 -5.595 1.00 0.00 C ATOM 790 CE1 PHE A 50 0.396 -13.476 -4.991 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.769 -12.447 -5.671 1.00 0.00 C ATOM 792 CZ PHE A 50 -0.984 -13.614 -5.369 1.00 0.00 C ATOM 0 H PHE A 50 2.463 -7.646 -6.082 1.00 0.00 H new ATOM 0 HA PHE A 50 2.826 -10.314 -4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.712 -9.231 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.309 -8.953 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.029 -12.066 -4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.760 -10.266 -5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.985 -14.352 -4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.806 -12.551 -5.954 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.432 -14.595 -5.426 1.00 0.00 H new ATOM 802 N GLY A 51 3.524 -11.114 -6.979 1.00 0.00 N ATOM 803 CA GLY A 51 3.906 -11.736 -8.236 1.00 0.00 C ATOM 804 C GLY A 51 2.740 -11.806 -9.214 1.00 0.00 C ATOM 805 O GLY A 51 1.596 -12.023 -8.839 1.00 0.00 O ATOM 0 H GLY A 51 4.081 -11.407 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.724 -11.173 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.280 -12.742 -8.044 1.00 0.00 H new ATOM 809 N ASN A 52 3.142 -11.560 -10.474 1.00 0.00 N ATOM 810 CA ASN A 52 2.205 -11.265 -11.545 1.00 0.00 C ATOM 811 C ASN A 52 2.271 -9.769 -11.834 1.00 0.00 C ATOM 812 O ASN A 52 2.460 -9.322 -12.959 1.00 0.00 O ATOM 813 CB ASN A 52 0.762 -11.609 -11.179 1.00 0.00 C ATOM 814 CG ASN A 52 0.606 -13.112 -10.932 1.00 0.00 C ATOM 815 OD1 ASN A 52 1.246 -13.941 -11.565 1.00 0.00 O ATOM 816 ND2 ASN A 52 -0.283 -13.395 -9.963 1.00 0.00 N ATOM 0 H ASN A 52 4.120 -11.563 -10.765 1.00 0.00 H new ATOM 0 HA ASN A 52 2.486 -11.870 -12.407 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.467 -11.057 -10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.094 -11.297 -11.982 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.466 -14.365 -9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.774 -12.640 -9.485 1.00 0.00 H new ATOM 823 N ASP A 53 2.097 -9.042 -10.718 1.00 0.00 N ATOM 824 CA ASP A 53 2.110 -7.595 -10.837 1.00 0.00 C ATOM 825 C ASP A 53 1.952 -6.958 -9.450 1.00 0.00 C ATOM 826 O ASP A 53 1.955 -7.628 -8.425 1.00 0.00 O ATOM 827 CB ASP A 53 0.982 -7.160 -11.777 1.00 0.00 C ATOM 828 CG ASP A 53 1.138 -5.691 -12.178 1.00 0.00 C ATOM 829 OD1 ASP A 53 1.936 -5.408 -13.071 1.00 0.00 O ATOM 830 OD2 ASP A 53 0.456 -4.848 -11.598 1.00 0.00 O ATOM 0 H ASP A 53 1.954 -9.414 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 53 3.060 -7.262 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.985 -7.786 -12.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.019 -7.307 -11.288 1.00 0.00 H new ATOM 835 N VAL A 54 1.810 -5.621 -9.496 1.00 0.00 N ATOM 836 CA VAL A 54 1.624 -4.893 -8.256 1.00 0.00 C ATOM 837 C VAL A 54 0.131 -4.817 -7.929 1.00 0.00 C ATOM 838 O VAL A 54 -0.668 -4.276 -8.685 1.00 0.00 O ATOM 839 CB VAL A 54 2.208 -3.489 -8.396 1.00 0.00 C ATOM 840 CG1 VAL A 54 2.007 -2.693 -7.108 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.689 -3.558 -8.772 1.00 0.00 C ATOM 0 H VAL A 54 1.821 -5.055 -10.344 1.00 0.00 H new ATOM 0 HA VAL A 54 2.138 -5.409 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 54 1.680 -2.973 -9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.430 -1.695 -7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.942 -2.612 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.506 -3.202 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.088 -2.548 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.237 -4.093 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.799 -4.083 -9.721 1.00 0.00 H new ATOM 851 N GLN A 55 -0.185 -5.397 -6.758 1.00 0.00 N ATOM 852 CA GLN A 55 -1.577 -5.407 -6.351 1.00 0.00 C ATOM 853 C GLN A 55 -1.874 -4.180 -5.489 1.00 0.00 C ATOM 854 O GLN A 55 -0.986 -3.546 -4.932 1.00 0.00 O ATOM 855 CB GLN A 55 -1.880 -6.694 -5.587 1.00 0.00 C ATOM 856 CG GLN A 55 -3.332 -6.768 -5.115 1.00 0.00 C ATOM 857 CD GLN A 55 -3.582 -8.127 -4.457 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.623 -8.748 -4.632 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.547 -8.545 -3.708 1.00 0.00 N ATOM 0 H GLN A 55 0.473 -5.839 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.216 -5.370 -7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.665 -7.551 -6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.217 -6.765 -4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.538 -5.965 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.008 -6.630 -5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.715 -7.962 -3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.593 -9.445 -3.231 1.00 0.00 H new ATOM 868 N HIS A 56 -3.185 -3.882 -5.441 1.00 0.00 N ATOM 869 CA HIS A 56 -3.576 -2.667 -4.755 1.00 0.00 C ATOM 870 C HIS A 56 -4.946 -2.829 -4.093 1.00 0.00 C ATOM 871 O HIS A 56 -5.898 -3.332 -4.678 1.00 0.00 O ATOM 872 CB HIS A 56 -3.614 -1.509 -5.752 1.00 0.00 C ATOM 873 CG HIS A 56 -4.647 -1.790 -6.818 1.00 0.00 C ATOM 874 ND1 HIS A 56 -5.943 -1.422 -6.727 1.00 0.00 N ATOM 875 CD2 HIS A 56 -4.458 -2.452 -8.041 1.00 0.00 C ATOM 876 CE1 HIS A 56 -6.525 -1.850 -7.862 1.00 0.00 C ATOM 877 NE2 HIS A 56 -5.653 -2.475 -8.674 1.00 0.00 N ATOM 0 H HIS A 56 -3.940 -4.435 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.844 -2.457 -3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.853 -0.579 -5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.633 -1.377 -6.208 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.531 -2.866 -8.408 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.570 -1.708 -8.094 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.853 -2.885 -9.586 1.00 0.00 H new ATOM 885 N PHE A 57 -4.973 -2.351 -2.834 1.00 0.00 N ATOM 886 CA PHE A 57 -6.237 -2.329 -2.123 1.00 0.00 C ATOM 887 C PHE A 57 -6.488 -0.919 -1.585 1.00 0.00 C ATOM 888 O PHE A 57 -5.813 -0.449 -0.677 1.00 0.00 O ATOM 889 CB PHE A 57 -6.207 -3.310 -0.951 1.00 0.00 C ATOM 890 CG PHE A 57 -5.923 -4.712 -1.403 1.00 0.00 C ATOM 891 CD1 PHE A 57 -7.008 -5.592 -1.759 1.00 0.00 C ATOM 892 CD2 PHE A 57 -4.567 -5.190 -1.481 1.00 0.00 C ATOM 893 CE1 PHE A 57 -6.739 -6.940 -2.184 1.00 0.00 C ATOM 894 CE2 PHE A 57 -4.295 -6.538 -1.906 1.00 0.00 C ATOM 895 CZ PHE A 57 -5.382 -7.413 -2.256 1.00 0.00 C ATOM 0 H PHE A 57 -4.168 -1.994 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.032 -2.619 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.446 -2.998 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.164 -3.283 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.027 -5.238 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.750 -4.534 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.555 -7.596 -2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.276 -6.892 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.179 -8.425 -2.573 1.00 0.00 H new ATOM 905 N LYS A 58 -7.506 -0.282 -2.191 1.00 0.00 N ATOM 906 CA LYS A 58 -7.828 1.045 -1.706 1.00 0.00 C ATOM 907 C LYS A 58 -8.174 0.976 -0.220 1.00 0.00 C ATOM 908 O LYS A 58 -9.085 0.274 0.203 1.00 0.00 O ATOM 909 CB LYS A 58 -9.006 1.633 -2.481 1.00 0.00 C ATOM 910 CG LYS A 58 -8.659 1.894 -3.945 1.00 0.00 C ATOM 911 CD LYS A 58 -9.817 2.546 -4.698 1.00 0.00 C ATOM 912 CE LYS A 58 -11.053 1.646 -4.734 1.00 0.00 C ATOM 913 NZ LYS A 58 -10.821 0.415 -5.481 1.00 0.00 N ATOM 0 H LYS A 58 -8.074 -0.640 -2.959 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.961 1.689 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.853 0.949 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.319 2.566 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.781 2.538 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.395 0.953 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.072 3.493 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.505 2.774 -5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.349 1.399 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.883 2.190 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.722 -0.089 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.418 0.645 -6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.157 -0.190 -4.956 1.00 0.00 H new ATOM 927 N VAL A 59 -7.386 1.760 0.535 1.00 0.00 N ATOM 928 CA VAL A 59 -7.669 1.840 1.952 1.00 0.00 C ATOM 929 C VAL A 59 -8.566 3.052 2.203 1.00 0.00 C ATOM 930 O VAL A 59 -8.110 4.156 2.474 1.00 0.00 O ATOM 931 CB VAL A 59 -6.362 1.956 2.734 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.639 2.052 4.232 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.442 0.774 2.424 1.00 0.00 C ATOM 0 H VAL A 59 -6.596 2.312 0.201 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.183 0.939 2.287 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.855 2.870 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.696 2.134 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.250 2.932 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.169 1.159 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.516 0.875 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.938 -0.156 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.215 0.759 1.358 1.00 0.00 H new ATOM 943 N LEU A 60 -9.871 2.759 2.072 1.00 0.00 N ATOM 944 CA LEU A 60 -10.837 3.835 2.112 1.00 0.00 C ATOM 945 C LEU A 60 -11.293 4.103 3.544 1.00 0.00 C ATOM 946 O LEU A 60 -11.195 3.262 4.429 1.00 0.00 O ATOM 947 CB LEU A 60 -12.050 3.430 1.284 1.00 0.00 C ATOM 948 CG LEU A 60 -11.686 3.048 -0.154 1.00 0.00 C ATOM 949 CD1 LEU A 60 -12.929 2.591 -0.918 1.00 0.00 C ATOM 950 CD2 LEU A 60 -10.998 4.203 -0.884 1.00 0.00 C ATOM 0 H LEU A 60 -10.256 1.823 1.943 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.374 4.738 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.547 2.587 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.764 4.254 1.267 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.980 2.219 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.652 2.324 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.363 1.724 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.660 3.400 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.754 3.897 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.666 5.064 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.083 4.473 -0.357 1.00 0.00 H new ATOM 962 N ARG A 61 -11.820 5.330 3.696 1.00 0.00 N ATOM 963 CA ARG A 61 -12.419 5.672 4.965 1.00 0.00 C ATOM 964 C ARG A 61 -13.882 5.232 4.973 1.00 0.00 C ATOM 965 O ARG A 61 -14.459 4.875 3.952 1.00 0.00 O ATOM 966 CB ARG A 61 -12.310 7.180 5.168 1.00 0.00 C ATOM 967 CG ARG A 61 -12.854 7.633 6.520 1.00 0.00 C ATOM 968 CD ARG A 61 -12.426 9.066 6.795 1.00 0.00 C ATOM 969 NE ARG A 61 -13.061 9.970 5.854 1.00 0.00 N ATOM 970 CZ ARG A 61 -14.291 10.440 6.138 1.00 0.00 C ATOM 971 NH1 ARG A 61 -14.904 10.080 7.262 1.00 0.00 N ATOM 972 NH2 ARG A 61 -14.895 11.268 5.291 1.00 0.00 N ATOM 0 H ARG A 61 -11.838 6.060 2.984 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.901 5.163 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.265 7.479 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.854 7.690 4.373 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.942 7.561 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.486 6.976 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.694 9.344 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.342 9.151 6.716 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.585 10.244 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.443 9.445 7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.835 10.439 7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.427 11.546 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.826 11.625 5.504 1.00 0.00 H new ATOM 1022 N LYS A 66 -12.873 5.348 10.377 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.153 4.099 10.217 1.00 0.00 C ATOM 1024 C LYS A 66 -11.780 3.890 8.750 1.00 0.00 C ATOM 1025 O LYS A 66 -12.569 4.104 7.837 1.00 0.00 O ATOM 1026 CB LYS A 66 -13.006 2.925 10.698 1.00 0.00 C ATOM 1027 CG LYS A 66 -13.558 3.125 12.112 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.471 3.066 13.188 1.00 0.00 C ATOM 1029 CE LYS A 66 -12.165 4.441 13.790 1.00 0.00 C ATOM 1030 NZ LYS A 66 -11.513 5.343 12.852 1.00 0.00 N ATOM 0 HA LYS A 66 -11.244 4.148 10.817 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.836 2.780 10.007 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.408 2.014 10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.064 4.089 12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.307 2.360 12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.786 2.388 13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.560 2.651 12.757 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.094 4.895 14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.528 4.314 14.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.256 6.225 13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.655 4.892 12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.162 5.558 12.069 1.00 0.00 H new ATOM 1044 N TYR A 67 -10.521 3.446 8.605 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.046 3.101 7.278 1.00 0.00 C ATOM 1046 C TYR A 67 -10.068 1.579 7.135 1.00 0.00 C ATOM 1047 O TYR A 67 -9.805 0.846 8.082 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.629 3.639 7.084 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.588 5.132 7.232 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.359 5.727 8.523 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.776 5.979 6.083 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -8.320 7.158 8.667 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -8.738 7.412 6.223 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.509 7.999 7.516 1.00 0.00 C ATOM 1055 OH TYR A 67 -8.472 9.373 7.652 1.00 0.00 O ATOM 0 H TYR A 67 -9.847 3.325 9.361 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.688 3.546 6.517 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.961 3.181 7.813 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.263 3.359 6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.216 5.096 9.388 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.946 5.538 5.112 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.149 7.600 9.638 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.881 8.044 5.359 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.617 9.792 6.778 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.420 1.148 5.911 1.00 0.00 N ATOM 1066 CA PHE A 68 -10.587 -0.285 5.760 1.00 0.00 C ATOM 1067 C PHE A 68 -10.234 -0.734 4.341 1.00 0.00 C ATOM 1068 O PHE A 68 -9.561 -0.048 3.581 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.031 -0.663 6.086 1.00 0.00 C ATOM 1070 CG PHE A 68 -12.996 0.040 5.176 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.505 1.340 5.531 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -13.423 -0.578 3.947 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.433 2.017 4.666 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -14.352 0.098 3.079 1.00 0.00 C ATOM 1075 CZ PHE A 68 -14.857 1.395 3.439 1.00 0.00 C ATOM 0 H PHE A 68 -10.580 1.723 5.084 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.910 -0.790 6.449 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.157 -1.741 5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.252 -0.406 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.188 1.808 6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.045 -1.552 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.812 2.992 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -14.669 -0.369 2.158 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.554 1.903 2.789 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.745 -1.946 4.062 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.466 -2.586 2.789 1.00 0.00 C ATOM 1087 C LEU A 69 -11.739 -3.233 2.220 1.00 0.00 C ATOM 1088 O LEU A 69 -11.981 -3.216 1.019 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.396 -3.656 3.009 1.00 0.00 C ATOM 1090 CG LEU A 69 -8.045 -3.037 3.373 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.224 -3.981 4.249 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -7.251 -2.652 2.125 1.00 0.00 C ATOM 0 H LEU A 69 -11.340 -2.483 4.693 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.114 -1.841 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.714 -4.330 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.290 -4.256 2.105 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.250 -2.129 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.269 -3.514 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.770 -4.191 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.046 -4.913 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.297 -2.215 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.071 -3.540 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.818 -1.925 1.543 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.527 -3.803 3.152 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.718 -4.499 2.710 1.00 0.00 C ATOM 1106 C TRP A 70 -14.977 -3.749 3.161 1.00 0.00 C ATOM 1107 O TRP A 70 -15.945 -3.628 2.420 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.720 -5.916 3.281 1.00 0.00 C ATOM 1109 CG TRP A 70 -12.656 -6.750 2.604 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -11.327 -6.377 2.375 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -12.812 -8.079 2.072 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.663 -7.380 1.744 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -11.512 -8.457 1.525 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -13.903 -8.978 2.003 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -11.335 -9.725 0.922 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -13.728 -10.272 1.388 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -12.443 -10.646 0.847 1.00 0.00 C ATOM 0 H TRP A 70 -12.363 -3.792 4.159 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.718 -4.546 1.621 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -13.539 -5.884 4.355 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -14.699 -6.374 3.136 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.893 -5.430 2.659 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.681 -7.347 1.470 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -14.863 -8.697 2.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.372 -10.003 0.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -14.558 -10.960 1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.311 -11.614 0.387 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.911 -3.258 4.414 1.00 0.00 N ATOM 1129 CA VAL A 71 -16.089 -2.583 4.924 1.00 0.00 C ATOM 1130 C VAL A 71 -15.672 -1.505 5.926 1.00 0.00 C ATOM 1131 O VAL A 71 -15.621 -0.322 5.618 1.00 0.00 O ATOM 1132 CB VAL A 71 -17.024 -3.600 5.582 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -18.252 -2.907 6.171 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -17.441 -4.681 4.584 1.00 0.00 C ATOM 0 H VAL A 71 -14.110 -3.314 5.043 1.00 0.00 H new ATOM 0 HA VAL A 71 -16.621 -2.106 4.101 1.00 0.00 H new ATOM 0 HB VAL A 71 -16.481 -4.080 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -18.902 -3.650 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -17.936 -2.183 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -18.795 -2.393 5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -18.105 -5.392 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.960 -4.220 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.555 -5.202 4.221 1.00 0.00 H new ATOM 1144 N VAL A 72 -15.391 -2.004 7.143 1.00 0.00 N ATOM 1145 CA VAL A 72 -14.939 -1.118 8.200 1.00 0.00 C ATOM 1146 C VAL A 72 -14.292 -1.958 9.304 1.00 0.00 C ATOM 1147 O VAL A 72 -14.817 -2.992 9.698 1.00 0.00 O ATOM 1148 CB VAL A 72 -16.127 -0.358 8.789 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -16.892 0.419 7.719 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -17.061 -1.305 9.541 1.00 0.00 C ATOM 0 H VAL A 72 -15.469 -2.987 7.403 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.222 -0.405 7.793 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.728 0.368 9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -17.728 0.945 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -16.225 1.141 7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -17.269 -0.273 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -17.899 -0.741 9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -17.436 -2.066 8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.515 -1.785 10.353 1.00 0.00 H new ATOM 1160 N LYS A 73 -13.126 -1.475 9.773 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.493 -2.315 10.771 1.00 0.00 C ATOM 1162 C LYS A 73 -11.303 -1.633 11.461 1.00 0.00 C ATOM 1163 O LYS A 73 -11.045 -1.876 12.633 1.00 0.00 O ATOM 1164 CB LYS A 73 -12.068 -3.624 10.107 1.00 0.00 C ATOM 1165 CG LYS A 73 -11.313 -3.365 8.803 1.00 0.00 C ATOM 1166 CD LYS A 73 -10.899 -4.649 8.087 1.00 0.00 C ATOM 1167 CE LYS A 73 -12.103 -5.448 7.594 1.00 0.00 C ATOM 1168 NZ LYS A 73 -12.756 -6.210 8.651 1.00 0.00 N ATOM 0 H LYS A 73 -12.656 -0.609 9.509 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.217 -2.511 11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.436 -4.192 10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.948 -4.235 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.940 -2.771 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.424 -2.772 9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.259 -4.401 7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.308 -5.266 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.826 -4.766 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.781 -6.131 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.883 -7.195 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.167 -6.190 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.684 -5.790 8.859 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.585 -0.781 10.699 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.382 -0.215 11.311 1.00 0.00 C ATOM 1184 C PHE A 74 -9.573 1.285 11.535 1.00 0.00 C ATOM 1185 O PHE A 74 -10.270 1.967 10.794 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.095 -0.431 10.489 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.050 -1.722 9.723 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.815 -2.970 10.402 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.250 -1.714 8.298 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -7.784 -4.203 9.660 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.228 -2.945 7.554 1.00 0.00 C ATOM 1192 CZ PHE A 74 -7.991 -4.190 8.236 1.00 0.00 C ATOM 0 H PHE A 74 -10.796 -0.493 9.743 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.250 -0.747 12.253 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.985 0.396 9.788 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.239 -0.394 11.163 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.662 -2.981 11.471 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.418 -0.779 7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.606 -5.137 10.172 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.389 -2.935 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.968 -5.115 7.679 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.903 1.745 12.605 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.974 3.173 12.881 1.00 0.00 C ATOM 1204 C ASN A 75 -7.685 3.917 12.471 1.00 0.00 C ATOM 1205 O ASN A 75 -7.425 5.020 12.937 1.00 0.00 O ATOM 1206 CB ASN A 75 -9.247 3.394 14.369 1.00 0.00 C ATOM 1207 CG ASN A 75 -8.069 2.881 15.199 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -6.910 2.994 14.817 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -8.450 2.303 16.352 1.00 0.00 N ATOM 0 H ASN A 75 -8.344 1.186 13.249 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.788 3.582 12.283 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.406 4.455 14.564 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.161 2.876 14.660 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.749 1.917 16.985 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.440 2.251 16.594 1.00 0.00 H new ATOM 1216 N SER A 76 -6.900 3.271 11.584 1.00 0.00 N ATOM 1217 CA SER A 76 -5.682 3.922 11.141 1.00 0.00 C ATOM 1218 C SER A 76 -4.959 3.028 10.130 1.00 0.00 C ATOM 1219 O SER A 76 -4.951 1.808 10.237 1.00 0.00 O ATOM 1220 CB SER A 76 -4.776 4.199 12.340 1.00 0.00 C ATOM 1221 OG SER A 76 -3.597 4.847 11.933 1.00 0.00 O ATOM 0 H SER A 76 -7.085 2.350 11.187 1.00 0.00 H new ATOM 0 HA SER A 76 -5.933 4.869 10.663 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.304 4.817 13.066 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.528 3.262 12.839 1.00 0.00 H new ATOM 0 HG SER A 76 -3.031 5.017 12.715 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.354 3.719 9.145 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.599 2.985 8.145 1.00 0.00 C ATOM 1229 C LEU A 77 -2.760 1.897 8.817 1.00 0.00 C ATOM 1230 O LEU A 77 -2.711 0.751 8.385 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.665 3.940 7.400 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.427 4.994 6.598 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.477 6.078 6.090 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.169 4.342 5.433 1.00 0.00 C ATOM 0 H LEU A 77 -4.376 4.732 9.032 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.298 2.528 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.010 4.436 8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.026 3.368 6.728 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.159 5.464 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.040 6.818 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.992 6.563 6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.720 5.627 5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.707 5.106 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.453 3.846 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.877 3.608 5.818 1.00 0.00 H new ATOM 1246 N ASN A 78 -2.103 2.346 9.900 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.227 1.434 10.608 1.00 0.00 C ATOM 1248 C ASN A 78 -2.000 0.213 11.110 1.00 0.00 C ATOM 1249 O ASN A 78 -1.498 -0.904 11.097 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.598 2.157 11.798 1.00 0.00 C ATOM 1251 CG ASN A 78 0.189 3.376 11.315 1.00 0.00 C ATOM 1252 OD1 ASN A 78 -0.356 4.448 11.080 1.00 0.00 O ATOM 1253 ND2 ASN A 78 1.507 3.136 11.193 1.00 0.00 N ATOM 0 H ASN A 78 -2.163 3.290 10.281 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.451 1.096 9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.375 2.469 12.496 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.062 1.479 12.338 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.134 3.879 10.884 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.879 2.211 11.410 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.240 0.485 11.557 1.00 0.00 N ATOM 1261 CA GLU A 79 -4.017 -0.629 12.073 1.00 0.00 C ATOM 1262 C GLU A 79 -4.451 -1.592 10.947 1.00 0.00 C ATOM 1263 O GLU A 79 -4.663 -2.776 11.176 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.234 -0.088 12.822 1.00 0.00 C ATOM 1265 CG GLU A 79 -6.090 -1.214 13.400 1.00 0.00 C ATOM 1266 CD GLU A 79 -7.263 -0.628 14.190 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -7.110 0.457 14.749 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -8.317 -1.261 14.232 1.00 0.00 O ATOM 0 H GLU A 79 -3.690 1.400 11.569 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.392 -1.202 12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.903 0.568 13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.838 0.517 12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.463 -1.848 12.595 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.484 -1.846 14.049 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.552 -1.025 9.727 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.836 -1.872 8.585 1.00 0.00 C ATOM 1277 C LEU A 80 -3.643 -2.796 8.345 1.00 0.00 C ATOM 1278 O LEU A 80 -3.767 -4.007 8.207 1.00 0.00 O ATOM 1279 CB LEU A 80 -5.079 -0.978 7.366 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.417 -1.749 6.085 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.202 -0.846 5.136 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.171 -2.267 5.369 1.00 0.00 C ATOM 0 H LEU A 80 -4.445 -0.031 9.526 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.721 -2.482 8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.894 -0.290 7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.190 -0.372 7.189 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.014 -2.613 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.442 -1.396 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.125 -0.525 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.601 0.028 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.466 -2.806 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.532 -1.427 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.624 -2.939 6.031 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.481 -2.120 8.302 1.00 0.00 N ATOM 1295 CA VAL A 81 -1.243 -2.826 8.030 1.00 0.00 C ATOM 1296 C VAL A 81 -0.852 -3.770 9.181 1.00 0.00 C ATOM 1297 O VAL A 81 -0.222 -4.799 8.970 1.00 0.00 O ATOM 1298 CB VAL A 81 -0.144 -1.787 7.812 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.205 -2.458 7.563 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.514 -0.850 6.660 1.00 0.00 C ATOM 0 H VAL A 81 -2.385 -1.115 8.449 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.377 -3.445 7.143 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.053 -1.191 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.968 -1.695 7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.471 -3.071 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.140 -3.088 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.280 -0.116 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.640 -1.430 5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.446 -0.336 6.894 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.252 -3.359 10.400 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.861 -4.145 11.554 1.00 0.00 C ATOM 1312 C ASP A 82 -1.615 -5.476 11.570 1.00 0.00 C ATOM 1313 O ASP A 82 -1.045 -6.532 11.818 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.151 -3.362 12.835 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.220 -2.152 12.932 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.894 -2.226 12.417 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.622 -1.146 13.515 1.00 0.00 O ATOM 0 H ASP A 82 -1.815 -2.531 10.593 1.00 0.00 H new ATOM 0 HA ASP A 82 0.208 -4.352 11.495 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.190 -3.033 12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.015 -4.006 13.703 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.925 -5.359 11.295 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.711 -6.582 11.361 1.00 0.00 C ATOM 1324 C TYR A 83 -3.625 -7.394 10.055 1.00 0.00 C ATOM 1325 O TYR A 83 -4.544 -8.121 9.697 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.169 -6.252 11.698 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.007 -7.484 11.902 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -5.398 -8.764 12.166 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -7.444 -7.388 11.839 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -6.213 -9.933 12.363 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -8.263 -8.555 12.034 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.646 -9.827 12.296 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.430 -10.948 12.483 1.00 0.00 O ATOM 0 H TYR A 83 -3.421 -4.503 11.046 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.293 -7.204 12.153 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.201 -5.642 12.601 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.598 -5.654 10.894 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.322 -8.846 12.216 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.909 -6.433 11.644 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.750 -10.888 12.561 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.339 -8.476 11.984 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.376 -10.702 12.407 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.469 -7.238 9.378 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.236 -8.026 8.178 1.00 0.00 C ATOM 1345 C HIS A 84 -0.858 -8.718 8.208 1.00 0.00 C ATOM 1346 O HIS A 84 -0.660 -9.749 7.577 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.332 -7.139 6.935 1.00 0.00 C ATOM 1348 CG HIS A 84 -3.751 -6.653 6.762 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.824 -7.235 7.341 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.197 -5.564 5.996 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -5.889 -6.520 6.938 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -5.542 -5.505 6.126 1.00 0.00 N ATOM 0 H HIS A 84 -1.718 -6.598 9.637 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.005 -8.798 8.141 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.656 -6.289 7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.019 -7.698 6.053 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.826 -8.048 7.956 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.580 -4.897 5.411 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.906 -6.736 7.232 1.00 0.00 H new ATOM 1360 N ARG A 85 0.075 -8.109 8.970 1.00 0.00 N ATOM 1361 CA ARG A 85 1.396 -8.701 9.049 1.00 0.00 C ATOM 1362 C ARG A 85 1.386 -9.980 9.901 1.00 0.00 C ATOM 1363 O ARG A 85 2.337 -10.280 10.613 1.00 0.00 O ATOM 1364 CB ARG A 85 2.356 -7.680 9.658 1.00 0.00 C ATOM 1365 CG ARG A 85 1.968 -7.315 11.091 1.00 0.00 C ATOM 1366 CD ARG A 85 2.935 -6.301 11.703 1.00 0.00 C ATOM 1367 NE ARG A 85 4.279 -6.848 11.729 1.00 0.00 N ATOM 1368 CZ ARG A 85 5.299 -6.043 12.081 1.00 0.00 C ATOM 1369 NH1 ARG A 85 5.072 -4.770 12.397 1.00 0.00 N ATOM 1370 NH2 ARG A 85 6.539 -6.522 12.113 1.00 0.00 N ATOM 0 H ARG A 85 -0.063 -7.253 9.507 1.00 0.00 H new ATOM 0 HA ARG A 85 1.720 -8.974 8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.369 -8.083 9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.365 -6.779 9.044 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.958 -6.905 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.952 -8.216 11.703 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.921 -5.378 11.124 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.617 -6.048 12.714 1.00 0.00 H new ATOM 0 HE ARG A 85 4.448 -7.824 11.485 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.122 -4.400 12.373 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.848 -4.164 12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.715 -7.497 11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.314 -5.914 12.379 1.00 0.00 H new ATOM 1384 N SER A 86 0.259 -10.709 9.787 1.00 0.00 N ATOM 1385 CA SER A 86 0.154 -11.945 10.540 1.00 0.00 C ATOM 1386 C SER A 86 -0.734 -12.942 9.787 1.00 0.00 C ATOM 1387 O SER A 86 -0.428 -14.124 9.677 1.00 0.00 O ATOM 1388 CB SER A 86 -0.431 -11.658 11.923 1.00 0.00 C ATOM 1389 OG SER A 86 0.376 -10.745 12.622 1.00 0.00 O ATOM 0 H SER A 86 -0.546 -10.470 9.209 1.00 0.00 H new ATOM 0 HA SER A 86 1.147 -12.379 10.658 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.439 -11.256 11.821 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.513 -12.586 12.489 1.00 0.00 H new ATOM 0 HG SER A 86 -0.014 -10.572 13.504 1.00 0.00 H new ATOM 1395 N THR A 87 -1.848 -12.384 9.276 1.00 0.00 N ATOM 1396 CA THR A 87 -2.767 -13.228 8.539 1.00 0.00 C ATOM 1397 C THR A 87 -2.879 -12.737 7.093 1.00 0.00 C ATOM 1398 O THR A 87 -3.962 -12.621 6.532 1.00 0.00 O ATOM 1399 CB THR A 87 -4.141 -13.205 9.211 1.00 0.00 C ATOM 1400 OG1 THR A 87 -5.010 -14.069 8.525 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.736 -11.797 9.233 1.00 0.00 C ATOM 0 H THR A 87 -2.113 -11.403 9.360 1.00 0.00 H new ATOM 0 HA THR A 87 -2.391 -14.251 8.535 1.00 0.00 H new ATOM 0 HB THR A 87 -4.017 -13.534 10.243 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.967 -13.881 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.712 -11.822 9.718 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.073 -11.131 9.785 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.848 -11.433 8.212 1.00 0.00 H new ATOM 1409 N SER A 88 -1.686 -12.457 6.538 1.00 0.00 N ATOM 1410 CA SER A 88 -1.654 -11.997 5.162 1.00 0.00 C ATOM 1411 C SER A 88 -2.623 -10.825 4.984 1.00 0.00 C ATOM 1412 O SER A 88 -3.076 -10.208 5.939 1.00 0.00 O ATOM 1413 CB SER A 88 -2.046 -13.143 4.229 1.00 0.00 C ATOM 1414 OG SER A 88 -3.356 -13.574 4.502 1.00 0.00 O ATOM 0 H SER A 88 -0.781 -12.539 7.002 1.00 0.00 H new ATOM 0 HA SER A 88 -0.646 -11.664 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.973 -12.816 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.351 -13.973 4.351 1.00 0.00 H new ATOM 0 HG SER A 88 -3.807 -12.912 5.067 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.911 -10.577 3.693 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.850 -9.509 3.396 1.00 0.00 C ATOM 1422 C VAL A 89 -4.917 -9.993 2.405 1.00 0.00 C ATOM 1423 O VAL A 89 -6.094 -9.674 2.525 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.101 -8.302 2.830 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -2.333 -8.674 1.562 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -4.064 -7.144 2.562 1.00 0.00 C ATOM 0 H VAL A 89 -2.527 -11.075 2.889 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.351 -9.212 4.318 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.376 -7.978 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.810 -7.796 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.609 -9.456 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.031 -9.036 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.510 -6.296 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.820 -7.458 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.550 -6.852 3.493 1.00 0.00 H new ATOM 1436 N SER A 90 -4.433 -10.785 1.430 1.00 0.00 N ATOM 1437 CA SER A 90 -5.362 -11.319 0.453 1.00 0.00 C ATOM 1438 C SER A 90 -5.721 -12.759 0.824 1.00 0.00 C ATOM 1439 O SER A 90 -4.980 -13.454 1.507 1.00 0.00 O ATOM 1440 CB SER A 90 -4.731 -11.273 -0.940 1.00 0.00 C ATOM 1441 OG SER A 90 -5.625 -11.766 -1.906 1.00 0.00 O ATOM 0 H SER A 90 -3.456 -11.051 1.310 1.00 0.00 H new ATOM 0 HA SER A 90 -6.270 -10.716 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.452 -10.248 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.815 -11.864 -0.950 1.00 0.00 H new ATOM 0 HG SER A 90 -5.205 -11.727 -2.791 1.00 0.00 H new ATOM 1502 N GLN A 94 -0.337 -15.335 2.201 1.00 0.00 N ATOM 1503 CA GLN A 94 1.079 -15.466 1.911 1.00 0.00 C ATOM 1504 C GLN A 94 1.657 -14.096 1.537 1.00 0.00 C ATOM 1505 O GLN A 94 2.419 -13.957 0.589 1.00 0.00 O ATOM 1506 CB GLN A 94 1.290 -16.444 0.753 1.00 0.00 C ATOM 1507 CG GLN A 94 0.577 -15.984 -0.518 1.00 0.00 C ATOM 1508 CD GLN A 94 0.823 -16.990 -1.645 1.00 0.00 C ATOM 1509 OE1 GLN A 94 -0.050 -17.282 -2.453 1.00 0.00 O ATOM 1510 NE2 GLN A 94 2.068 -17.500 -1.632 1.00 0.00 N ATOM 0 HA GLN A 94 1.588 -15.847 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.357 -16.546 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.923 -17.430 1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.493 -15.888 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.939 -14.999 -0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.735 -17.200 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.345 -18.186 -2.334 1.00 0.00 H new ATOM 1519 N ILE A 95 1.232 -13.097 2.334 1.00 0.00 N ATOM 1520 CA ILE A 95 1.656 -11.748 2.016 1.00 0.00 C ATOM 1521 C ILE A 95 2.182 -11.049 3.272 1.00 0.00 C ATOM 1522 O ILE A 95 1.484 -10.890 4.266 1.00 0.00 O ATOM 1523 CB ILE A 95 0.477 -10.964 1.438 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.114 -11.688 0.227 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.901 -9.544 1.064 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -1.317 -10.943 -0.352 1.00 0.00 C ATOM 0 H ILE A 95 0.632 -13.199 3.152 1.00 0.00 H new ATOM 0 HA ILE A 95 2.458 -11.791 1.279 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.294 -10.898 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.652 -11.794 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.416 -12.694 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.046 -9.005 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.265 -9.027 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.694 -9.586 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.706 -11.491 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.094 -10.860 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.010 -9.946 -0.667 1.00 0.00 H new ATOM 1538 N PHE A 96 3.457 -10.637 3.146 1.00 0.00 N ATOM 1539 CA PHE A 96 4.049 -9.893 4.240 1.00 0.00 C ATOM 1540 C PHE A 96 4.341 -8.466 3.777 1.00 0.00 C ATOM 1541 O PHE A 96 5.058 -8.232 2.812 1.00 0.00 O ATOM 1542 CB PHE A 96 5.338 -10.574 4.699 1.00 0.00 C ATOM 1543 CG PHE A 96 5.084 -11.987 5.133 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.162 -13.064 4.180 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.761 -12.276 6.507 1.00 0.00 C ATOM 1546 CE1 PHE A 96 4.920 -14.421 4.596 1.00 0.00 C ATOM 1547 CE2 PHE A 96 4.517 -13.632 6.925 1.00 0.00 C ATOM 1548 CZ PHE A 96 4.597 -14.703 5.970 1.00 0.00 C ATOM 0 H PHE A 96 4.059 -10.801 2.339 1.00 0.00 H new ATOM 0 HA PHE A 96 3.355 -9.865 5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.065 -10.566 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.775 -10.011 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.403 -12.853 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.702 -11.472 7.226 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.981 -15.226 3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.274 -13.844 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.415 -15.720 6.284 1.00 0.00 H new ATOM 1558 N LEU A 97 3.726 -7.533 4.523 1.00 0.00 N ATOM 1559 CA LEU A 97 3.874 -6.145 4.133 1.00 0.00 C ATOM 1560 C LEU A 97 5.095 -5.534 4.822 1.00 0.00 C ATOM 1561 O LEU A 97 5.069 -5.211 6.003 1.00 0.00 O ATOM 1562 CB LEU A 97 2.618 -5.370 4.535 1.00 0.00 C ATOM 1563 CG LEU A 97 1.353 -5.958 3.912 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.110 -5.273 4.481 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.389 -5.836 2.389 1.00 0.00 C ATOM 0 H LEU A 97 3.156 -7.710 5.350 1.00 0.00 H new ATOM 0 HA LEU A 97 4.011 -6.088 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.522 -5.375 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.722 -4.329 4.229 1.00 0.00 H new ATOM 0 HG LEU A 97 1.308 -7.018 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.783 -5.703 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.075 -5.421 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.150 -4.206 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.478 -6.261 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.461 -4.785 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.254 -6.375 2.001 1.00 0.00 H new ATOM 1577 N ARG A 98 6.157 -5.383 4.008 1.00 0.00 N ATOM 1578 CA ARG A 98 7.336 -4.766 4.586 1.00 0.00 C ATOM 1579 C ARG A 98 8.371 -4.447 3.491 1.00 0.00 C ATOM 1580 O ARG A 98 8.133 -3.624 2.613 1.00 0.00 O ATOM 1581 CB ARG A 98 7.881 -5.671 5.698 1.00 0.00 C ATOM 1582 CG ARG A 98 8.942 -4.971 6.550 1.00 0.00 C ATOM 1583 CD ARG A 98 9.459 -5.875 7.669 1.00 0.00 C ATOM 1584 NE ARG A 98 10.448 -5.168 8.462 1.00 0.00 N ATOM 1585 CZ ARG A 98 11.676 -4.977 7.944 1.00 0.00 C ATOM 1586 NH1 ARG A 98 11.970 -5.432 6.729 1.00 0.00 N ATOM 1587 NH2 ARG A 98 12.599 -4.329 8.650 1.00 0.00 N ATOM 0 H ARG A 98 6.215 -5.658 3.028 1.00 0.00 H new ATOM 0 HA ARG A 98 7.082 -3.809 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.059 -5.992 6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.310 -6.570 5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.774 -4.666 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.521 -4.063 6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.631 -6.192 8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.899 -6.778 7.245 1.00 0.00 H new ATOM 0 HE ARG A 98 10.217 -4.823 9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.264 -5.928 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.902 -5.285 6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.376 -3.978 9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.530 -4.183 8.260 1.00 0.00 H new ATOM 1601 N ASP A 99 9.527 -5.131 3.622 1.00 0.00 N ATOM 1602 CA ASP A 99 10.683 -4.852 2.786 1.00 0.00 C ATOM 1603 C ASP A 99 10.271 -4.339 1.406 1.00 0.00 C ATOM 1604 O ASP A 99 9.699 -5.051 0.589 1.00 0.00 O ATOM 1605 CB ASP A 99 11.524 -6.119 2.636 1.00 0.00 C ATOM 1606 CG ASP A 99 12.786 -5.812 1.827 1.00 0.00 C ATOM 1607 OD1 ASP A 99 12.673 -5.602 0.620 1.00 0.00 O ATOM 1608 OD2 ASP A 99 13.867 -5.791 2.413 1.00 0.00 O ATOM 0 H ASP A 99 9.671 -5.877 4.302 1.00 0.00 H new ATOM 0 HA ASP A 99 11.269 -4.071 3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.796 -6.504 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.943 -6.896 2.139 1.00 0.00 H new ATOM 1613 N ILE A 100 10.624 -3.056 1.210 1.00 0.00 N ATOM 1614 CA ILE A 100 10.341 -2.425 -0.063 1.00 0.00 C ATOM 1615 C ILE A 100 11.624 -1.935 -0.740 1.00 0.00 C ATOM 1616 O ILE A 100 11.802 -2.037 -1.947 1.00 0.00 O ATOM 1617 CB ILE A 100 9.365 -1.271 0.156 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.950 -0.663 -1.177 1.00 0.00 C ATOM 1619 CG2 ILE A 100 9.973 -0.207 1.064 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.905 0.434 -0.995 1.00 0.00 C ATOM 0 H ILE A 100 11.089 -2.464 1.899 1.00 0.00 H new ATOM 0 HA ILE A 100 9.888 -3.160 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 100 8.477 -1.667 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.826 -0.252 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.550 -1.443 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.258 0.604 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.215 -0.649 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.881 0.185 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.634 0.844 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.019 0.016 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.315 1.227 -0.369 1.00 0.00 H new ATOM 1632 N GLU A 101 12.492 -1.393 0.126 1.00 0.00 N ATOM 1633 CA GLU A 101 13.722 -0.813 -0.369 1.00 0.00 C ATOM 1634 C GLU A 101 14.817 -0.946 0.692 1.00 0.00 C ATOM 1635 O GLU A 101 14.662 -0.533 1.836 1.00 0.00 O ATOM 1636 CB GLU A 101 13.459 0.653 -0.701 1.00 0.00 C ATOM 1637 CG GLU A 101 12.676 0.812 -2.005 1.00 0.00 C ATOM 1638 CD GLU A 101 13.494 0.254 -3.172 1.00 0.00 C ATOM 1639 OE1 GLU A 101 14.659 -0.080 -2.965 1.00 0.00 O ATOM 1640 OE2 GLU A 101 12.955 0.158 -4.273 1.00 0.00 O ATOM 0 H GLU A 101 12.362 -1.350 1.137 1.00 0.00 H new ATOM 0 HA GLU A 101 14.059 -1.332 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.903 1.116 0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.408 1.183 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.723 0.288 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.449 1.864 -2.178 1.00 0.00 H new