USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 24 GLN : amide:sc= -4.15 K(o=-4.2,f=-14!) USER MOD Single : A 25 THR OG1 : rot -48:sc= 1.41 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -109:sc= 0.336 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.4) USER MOD Single : A 54 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=-0.033) USER MOD Single : A 60 LYS NZ :NH3+ -105:sc= -0.738 (180deg=-2.65!) USER MOD Single : A 62 GLN : amide:sc= -0.687 K(o=-0.69,f=-0.14) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= -0.276 (180deg=-0.303) USER MOD Single : A 79 SER OG : rot 76:sc= 0.334 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -13:sc= -0.629 USER MOD Single : A 92 HIS : no HD1:sc= -1.59! C(o=-1.6!,f=-3.3!) USER MOD Single : A 95 LYS NZ :NH3+ -132:sc= -0.233 (180deg=-2.65!) USER MOD Single : A 97 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.4) USER MOD Single : A 98 LYS NZ :NH3+ -129:sc= 1.25 (180deg=-0.575) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.227 K(o=-0.23,f=-6!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.500 -5.103 9.747 1.00 0.00 N ATOM 143 CA ASN A 13 -10.819 -5.815 8.516 1.00 0.00 C ATOM 144 C ASN A 13 -9.710 -5.641 7.483 1.00 0.00 C ATOM 145 O ASN A 13 -9.965 -5.627 6.279 1.00 0.00 O ATOM 146 CB ASN A 13 -12.148 -5.316 7.943 1.00 0.00 C ATOM 147 CG ASN A 13 -13.337 -5.756 8.775 1.00 0.00 C ATOM 148 OD1 ASN A 13 -14.017 -6.727 8.442 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.594 -5.040 9.863 1.00 0.00 N ATOM 0 HA ASN A 13 -10.908 -6.875 8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.130 -4.228 7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.264 -5.686 6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.382 -5.287 10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.003 -4.243 10.100 1.00 0.00 H new ATOM 156 N GLY A 14 -8.477 -5.510 7.963 1.00 0.00 N ATOM 157 CA GLY A 14 -7.347 -5.339 7.068 1.00 0.00 C ATOM 158 C GLY A 14 -6.647 -6.648 6.762 1.00 0.00 C ATOM 159 O GLY A 14 -7.267 -7.710 6.780 1.00 0.00 O ATOM 0 H GLY A 14 -8.240 -5.519 8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.690 -4.888 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.635 -4.646 7.515 1.00 0.00 H new ATOM 163 N ALA A 15 -5.350 -6.571 6.479 1.00 0.00 N ATOM 164 CA ALA A 15 -4.565 -7.759 6.169 1.00 0.00 C ATOM 165 C ALA A 15 -3.121 -7.599 6.631 1.00 0.00 C ATOM 166 O ALA A 15 -2.420 -6.683 6.201 1.00 0.00 O ATOM 167 CB ALA A 15 -4.615 -8.049 4.676 1.00 0.00 C ATOM 0 H ALA A 15 -4.822 -5.699 6.458 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.999 -8.602 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.024 -8.939 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.648 -8.216 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.208 -7.200 4.127 1.00 0.00 H new ATOM 173 N ASP A 16 -2.683 -8.495 7.509 1.00 0.00 N ATOM 174 CA ASP A 16 -1.321 -8.453 8.029 1.00 0.00 C ATOM 175 C ASP A 16 -0.350 -9.124 7.063 1.00 0.00 C ATOM 176 O ASP A 16 -0.165 -10.342 7.097 1.00 0.00 O ATOM 177 CB ASP A 16 -1.254 -9.135 9.396 1.00 0.00 C ATOM 178 CG ASP A 16 0.064 -8.887 10.103 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.546 -7.735 10.072 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.613 -9.844 10.688 1.00 0.00 O ATOM 0 H ASP A 16 -3.251 -9.259 7.875 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.031 -7.408 8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.071 -8.773 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.400 -10.208 9.271 1.00 0.00 H new ATOM 185 N LEU A 17 0.269 -8.323 6.203 1.00 0.00 N ATOM 186 CA LEU A 17 1.222 -8.840 5.226 1.00 0.00 C ATOM 187 C LEU A 17 2.648 -8.756 5.760 1.00 0.00 C ATOM 188 O LEU A 17 2.975 -7.918 6.600 1.00 0.00 O ATOM 189 CB LEU A 17 1.110 -8.061 3.914 1.00 0.00 C ATOM 190 CG LEU A 17 -0.285 -7.546 3.556 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.197 -6.460 2.496 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.169 -8.690 3.079 1.00 0.00 C ATOM 0 H LEU A 17 0.129 -7.314 6.162 1.00 0.00 H new ATOM 0 HA LEU A 17 0.984 -9.887 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.789 -7.209 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.458 -8.701 3.104 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.734 -7.115 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.199 -6.106 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.400 -5.630 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.271 -6.864 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.158 -8.306 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.724 -9.150 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.259 -9.435 3.870 1.00 0.00 H new ATOM 204 N PRO A 18 3.520 -9.645 5.261 1.00 0.00 N ATOM 205 CA PRO A 18 4.927 -9.690 5.671 1.00 0.00 C ATOM 206 C PRO A 18 5.716 -8.486 5.169 1.00 0.00 C ATOM 207 O PRO A 18 6.794 -8.183 5.679 1.00 0.00 O ATOM 208 CB PRO A 18 5.444 -10.977 5.023 1.00 0.00 C ATOM 209 CG PRO A 18 4.550 -11.197 3.852 1.00 0.00 C ATOM 210 CD PRO A 18 3.200 -10.674 4.257 1.00 0.00 C ATOM 0 HA PRO A 18 5.037 -9.669 6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.484 -10.874 4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.400 -11.816 5.718 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.923 -10.673 2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.497 -12.255 3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.661 -10.253 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.573 -11.462 4.675 1.00 0.00 H new ATOM 218 N ASN A 19 5.172 -7.804 4.167 1.00 0.00 N ATOM 219 CA ASN A 19 5.827 -6.632 3.596 1.00 0.00 C ATOM 220 C ASN A 19 5.299 -5.350 4.233 1.00 0.00 C ATOM 221 O ASN A 19 6.022 -4.360 4.349 1.00 0.00 O ATOM 222 CB ASN A 19 5.611 -6.589 2.082 1.00 0.00 C ATOM 223 CG ASN A 19 6.676 -7.358 1.324 1.00 0.00 C ATOM 224 OD1 ASN A 19 7.758 -7.622 1.849 1.00 0.00 O ATOM 225 ND2 ASN A 19 6.374 -7.719 0.082 1.00 0.00 N ATOM 0 H ASN A 19 4.280 -8.042 3.733 1.00 0.00 H new ATOM 0 HA ASN A 19 6.895 -6.706 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.631 -7.003 1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.608 -5.552 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.052 -8.237 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.465 -7.478 -0.312 1.00 0.00 H new ATOM 232 N TYR A 20 4.036 -5.377 4.644 1.00 0.00 N ATOM 233 CA TYR A 20 3.411 -4.216 5.267 1.00 0.00 C ATOM 234 C TYR A 20 2.022 -4.563 5.794 1.00 0.00 C ATOM 235 O TYR A 20 1.421 -5.556 5.384 1.00 0.00 O ATOM 236 CB TYR A 20 3.316 -3.063 4.267 1.00 0.00 C ATOM 237 CG TYR A 20 2.903 -3.497 2.879 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.587 -3.847 2.603 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.828 -3.559 1.845 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.204 -4.245 1.336 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.454 -3.955 0.575 1.00 0.00 C ATOM 242 CZ TYR A 20 2.141 -4.297 0.326 1.00 0.00 C ATOM 243 OH TYR A 20 1.766 -4.693 -0.937 1.00 0.00 O ATOM 0 H TYR A 20 3.425 -6.189 4.557 1.00 0.00 H new ATOM 0 HA TYR A 20 4.033 -3.908 6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.599 -2.330 4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.283 -2.563 4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.851 -3.807 3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.857 -3.293 2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.177 -4.514 1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.186 -3.997 -0.218 1.00 0.00 H new ATOM 0 HH TYR A 20 2.545 -4.674 -1.531 1.00 0.00 H new ATOM 253 N ARG A 21 1.518 -3.737 6.705 1.00 0.00 N ATOM 254 CA ARG A 21 0.201 -3.955 7.289 1.00 0.00 C ATOM 255 C ARG A 21 -0.716 -2.765 7.022 1.00 0.00 C ATOM 256 O ARG A 21 -0.321 -1.612 7.199 1.00 0.00 O ATOM 257 CB ARG A 21 0.320 -4.193 8.795 1.00 0.00 C ATOM 258 CG ARG A 21 1.006 -3.059 9.539 1.00 0.00 C ATOM 259 CD ARG A 21 0.940 -3.259 11.045 1.00 0.00 C ATOM 260 NE ARG A 21 -0.351 -2.853 11.594 1.00 0.00 N ATOM 261 CZ ARG A 21 -0.646 -1.603 11.931 1.00 0.00 C ATOM 262 NH1 ARG A 21 0.253 -0.641 11.775 1.00 0.00 N ATOM 263 NH2 ARG A 21 -1.843 -1.312 12.425 1.00 0.00 N ATOM 0 H ARG A 21 2.003 -2.910 7.054 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.234 -4.839 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.677 -4.338 9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.874 -5.116 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.048 -2.994 9.225 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.534 -2.112 9.276 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.120 -4.308 11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.734 -2.685 11.522 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.065 -3.569 11.726 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.174 -0.860 11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.024 0.318 12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.538 -2.049 12.546 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.068 -0.351 12.683 1.00 0.00 H new ATOM 277 N TRP A 22 -1.941 -3.052 6.596 1.00 0.00 N ATOM 278 CA TRP A 22 -2.913 -2.005 6.305 1.00 0.00 C ATOM 279 C TRP A 22 -4.294 -2.382 6.832 1.00 0.00 C ATOM 280 O TRP A 22 -4.658 -3.558 6.862 1.00 0.00 O ATOM 281 CB TRP A 22 -2.982 -1.749 4.798 1.00 0.00 C ATOM 282 CG TRP A 22 -3.514 -2.914 4.021 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.784 -3.863 3.364 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.890 -3.253 3.818 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.623 -4.771 2.765 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.920 -4.419 3.029 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.099 -2.685 4.228 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.113 -5.025 2.643 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.282 -3.288 3.844 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.282 -4.448 3.058 1.00 0.00 C ATOM 0 H TRP A 22 -2.284 -4.000 6.445 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.589 -1.094 6.807 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.613 -0.880 4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.985 -1.503 4.433 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.705 -3.895 3.322 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.328 -5.577 2.213 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.109 -1.791 4.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.115 -5.919 2.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.222 -2.858 4.155 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.223 -4.895 2.774 1.00 0.00 H new ATOM 301 N THR A 23 -5.059 -1.378 7.246 1.00 0.00 N ATOM 302 CA THR A 23 -6.399 -1.605 7.773 1.00 0.00 C ATOM 303 C THR A 23 -7.437 -0.799 7.000 1.00 0.00 C ATOM 304 O THR A 23 -7.093 0.103 6.237 1.00 0.00 O ATOM 305 CB THR A 23 -6.486 -1.235 9.265 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.873 0.039 9.491 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.806 -2.290 10.125 1.00 0.00 C ATOM 0 H THR A 23 -4.774 -0.399 7.227 1.00 0.00 H new ATOM 0 HA THR A 23 -6.608 -2.668 7.657 1.00 0.00 H new ATOM 0 HB THR A 23 -7.539 -1.185 9.543 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.934 0.267 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.880 -2.007 11.175 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.294 -3.253 9.973 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.756 -2.367 9.844 1.00 0.00 H new ATOM 315 N GLN A 24 -8.708 -1.130 7.204 1.00 0.00 N ATOM 316 CA GLN A 24 -9.796 -0.436 6.525 1.00 0.00 C ATOM 317 C GLN A 24 -10.999 -0.274 7.449 1.00 0.00 C ATOM 318 O GLN A 24 -11.385 -1.208 8.153 1.00 0.00 O ATOM 319 CB GLN A 24 -10.207 -1.197 5.263 1.00 0.00 C ATOM 320 CG GLN A 24 -10.730 -2.597 5.540 1.00 0.00 C ATOM 321 CD GLN A 24 -11.363 -3.236 4.319 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.507 -2.940 3.973 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.620 -4.117 3.660 1.00 0.00 N ATOM 0 H GLN A 24 -9.010 -1.874 7.833 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.440 0.555 6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.975 -0.628 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.349 -1.264 4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.910 -3.224 5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.464 -2.554 6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.677 -4.332 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.993 -4.579 2.831 1.00 0.00 H new ATOM 332 N THR A 25 -11.589 0.917 7.442 1.00 0.00 N ATOM 333 CA THR A 25 -12.746 1.202 8.280 1.00 0.00 C ATOM 334 C THR A 25 -13.826 1.937 7.495 1.00 0.00 C ATOM 335 O THR A 25 -13.528 2.791 6.659 1.00 0.00 O ATOM 336 CB THR A 25 -12.357 2.046 9.509 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.869 3.325 9.089 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.293 1.339 10.336 1.00 0.00 C ATOM 0 H THR A 25 -11.284 1.700 6.864 1.00 0.00 H new ATOM 0 HA THR A 25 -13.135 0.241 8.617 1.00 0.00 H new ATOM 0 HB THR A 25 -13.245 2.180 10.126 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.205 3.205 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.034 1.954 11.198 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.677 0.378 10.678 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.405 1.178 9.725 1.00 0.00 H new ATOM 346 N LEU A 26 -15.082 1.601 7.768 1.00 0.00 N ATOM 347 CA LEU A 26 -16.208 2.230 7.087 1.00 0.00 C ATOM 348 C LEU A 26 -15.930 3.707 6.826 1.00 0.00 C ATOM 349 O LEU A 26 -16.429 4.281 5.858 1.00 0.00 O ATOM 350 CB LEU A 26 -17.483 2.079 7.920 1.00 0.00 C ATOM 351 CG LEU A 26 -18.282 0.794 7.696 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.437 0.706 8.682 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.793 0.726 6.265 1.00 0.00 C ATOM 0 H LEU A 26 -15.346 0.896 8.456 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.346 1.730 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.213 2.136 8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.133 2.929 7.711 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.621 -0.056 7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.995 -0.214 8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.047 0.707 9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.098 1.562 8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.359 -0.195 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.438 1.582 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.949 0.742 5.576 1.00 0.00 H new ATOM 365 N ALA A 27 -15.129 4.315 7.694 1.00 0.00 N ATOM 366 CA ALA A 27 -14.781 5.724 7.554 1.00 0.00 C ATOM 367 C ALA A 27 -13.710 5.922 6.486 1.00 0.00 C ATOM 368 O ALA A 27 -13.954 6.558 5.461 1.00 0.00 O ATOM 369 CB ALA A 27 -14.309 6.285 8.887 1.00 0.00 C ATOM 0 H ALA A 27 -14.709 3.855 8.501 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.674 6.264 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.052 7.338 8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.105 6.186 9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.431 5.733 9.224 1.00 0.00 H new ATOM 375 N GLU A 28 -12.525 5.374 6.734 1.00 0.00 N ATOM 376 CA GLU A 28 -11.417 5.493 5.793 1.00 0.00 C ATOM 377 C GLU A 28 -10.480 4.294 5.902 1.00 0.00 C ATOM 378 O GLU A 28 -10.692 3.397 6.720 1.00 0.00 O ATOM 379 CB GLU A 28 -10.640 6.786 6.046 1.00 0.00 C ATOM 380 CG GLU A 28 -10.156 6.935 7.479 1.00 0.00 C ATOM 381 CD GLU A 28 -10.064 8.384 7.916 1.00 0.00 C ATOM 382 OE1 GLU A 28 -10.892 9.197 7.456 1.00 0.00 O ATOM 383 OE2 GLU A 28 -9.162 8.704 8.720 1.00 0.00 O ATOM 0 H GLU A 28 -12.307 4.844 7.578 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.831 5.518 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.781 6.821 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.274 7.636 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.834 6.401 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.177 6.467 7.578 1.00 0.00 H new ATOM 390 N LEU A 29 -9.443 4.284 5.072 1.00 0.00 N ATOM 391 CA LEU A 29 -8.472 3.195 5.073 1.00 0.00 C ATOM 392 C LEU A 29 -7.123 3.669 5.603 1.00 0.00 C ATOM 393 O LEU A 29 -6.855 4.869 5.662 1.00 0.00 O ATOM 394 CB LEU A 29 -8.308 2.630 3.661 1.00 0.00 C ATOM 395 CG LEU A 29 -7.862 1.170 3.570 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.443 0.510 2.329 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.343 1.076 3.564 1.00 0.00 C ATOM 0 H LEU A 29 -9.253 5.018 4.389 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.845 2.410 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.259 2.732 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.583 3.244 3.127 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.236 0.641 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.115 -0.528 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.532 0.545 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.100 1.040 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.043 0.030 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.948 1.621 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.948 1.510 4.483 1.00 0.00 H new ATOM 409 N ASP A 30 -6.277 2.719 5.986 1.00 0.00 N ATOM 410 CA ASP A 30 -4.953 3.039 6.508 1.00 0.00 C ATOM 411 C ASP A 30 -3.916 2.038 6.011 1.00 0.00 C ATOM 412 O ASP A 30 -4.226 0.868 5.783 1.00 0.00 O ATOM 413 CB ASP A 30 -4.975 3.053 8.038 1.00 0.00 C ATOM 414 CG ASP A 30 -5.650 4.290 8.596 1.00 0.00 C ATOM 415 OD1 ASP A 30 -6.838 4.511 8.279 1.00 0.00 O ATOM 416 OD2 ASP A 30 -4.992 5.037 9.350 1.00 0.00 O ATOM 0 H ASP A 30 -6.484 1.721 5.945 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.677 4.030 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.494 2.165 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.953 3.000 8.414 1.00 0.00 H new ATOM 421 N LEU A 31 -2.684 2.504 5.843 1.00 0.00 N ATOM 422 CA LEU A 31 -1.599 1.650 5.371 1.00 0.00 C ATOM 423 C LEU A 31 -0.294 1.982 6.086 1.00 0.00 C ATOM 424 O LEU A 31 -0.042 3.135 6.436 1.00 0.00 O ATOM 425 CB LEU A 31 -1.421 1.807 3.860 1.00 0.00 C ATOM 426 CG LEU A 31 -0.005 1.589 3.325 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.394 0.127 3.452 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.095 2.048 1.878 1.00 0.00 C ATOM 0 H LEU A 31 -2.411 3.469 6.027 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.860 0.616 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.089 1.105 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.744 2.809 3.578 1.00 0.00 H new ATOM 0 HG LEU A 31 0.685 2.185 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.404 -0.009 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.363 -0.169 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.299 -0.490 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.109 1.885 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.605 1.479 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.147 3.109 1.815 1.00 0.00 H new ATOM 440 N ALA A 32 0.534 0.964 6.298 1.00 0.00 N ATOM 441 CA ALA A 32 1.816 1.149 6.967 1.00 0.00 C ATOM 442 C ALA A 32 2.894 0.272 6.339 1.00 0.00 C ATOM 443 O ALA A 32 2.823 -0.955 6.400 1.00 0.00 O ATOM 444 CB ALA A 32 1.685 0.845 8.452 1.00 0.00 C ATOM 0 H ALA A 32 0.340 0.003 6.016 1.00 0.00 H new ATOM 0 HA ALA A 32 2.115 2.190 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.650 0.987 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.951 1.517 8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.360 -0.187 8.585 1.00 0.00 H new ATOM 450 N VAL A 33 3.892 0.910 5.736 1.00 0.00 N ATOM 451 CA VAL A 33 4.986 0.188 5.097 1.00 0.00 C ATOM 452 C VAL A 33 6.295 0.393 5.852 1.00 0.00 C ATOM 453 O VAL A 33 6.939 1.437 5.755 1.00 0.00 O ATOM 454 CB VAL A 33 5.174 0.634 3.635 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.328 -0.120 2.991 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.889 0.431 2.847 1.00 0.00 C ATOM 0 H VAL A 33 3.966 1.926 5.677 1.00 0.00 H new ATOM 0 HA VAL A 33 4.721 -0.869 5.115 1.00 0.00 H new ATOM 0 HB VAL A 33 5.415 1.697 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.446 0.208 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.247 0.080 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.119 -1.190 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.040 0.751 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.615 -0.624 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.090 1.020 3.297 1.00 0.00 H new ATOM 466 N PRO A 34 6.699 -0.628 6.623 1.00 0.00 N ATOM 467 CA PRO A 34 7.935 -0.585 7.409 1.00 0.00 C ATOM 468 C PRO A 34 9.182 -0.625 6.532 1.00 0.00 C ATOM 469 O PRO A 34 9.378 -1.562 5.758 1.00 0.00 O ATOM 470 CB PRO A 34 7.850 -1.844 8.275 1.00 0.00 C ATOM 471 CG PRO A 34 6.973 -2.772 7.507 1.00 0.00 C ATOM 472 CD PRO A 34 5.981 -1.903 6.786 1.00 0.00 C ATOM 0 HA PRO A 34 8.020 0.338 7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.836 -2.278 8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.430 -1.622 9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.555 -3.366 6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.468 -3.472 8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.697 -2.330 5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.064 -1.777 7.362 1.00 0.00 H new ATOM 480 N PHE A 35 10.022 0.397 6.658 1.00 0.00 N ATOM 481 CA PHE A 35 11.250 0.478 5.876 1.00 0.00 C ATOM 482 C PHE A 35 12.473 0.248 6.759 1.00 0.00 C ATOM 483 O PHE A 35 12.770 1.048 7.647 1.00 0.00 O ATOM 484 CB PHE A 35 11.352 1.841 5.187 1.00 0.00 C ATOM 485 CG PHE A 35 10.515 1.949 3.945 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.891 1.298 2.781 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.352 2.701 3.942 1.00 0.00 C ATOM 488 CE1 PHE A 35 10.122 1.397 1.637 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.579 2.803 2.800 1.00 0.00 C ATOM 490 CZ PHE A 35 8.964 2.149 1.647 1.00 0.00 C ATOM 0 H PHE A 35 9.875 1.181 7.294 1.00 0.00 H new ATOM 0 HA PHE A 35 11.220 -0.303 5.117 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.048 2.618 5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.394 2.033 4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.795 0.707 2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.045 3.214 4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.427 0.886 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.675 3.394 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.361 2.225 0.754 1.00 0.00 H new ATOM 500 N ARG A 36 13.179 -0.849 6.507 1.00 0.00 N ATOM 501 CA ARG A 36 14.369 -1.186 7.280 1.00 0.00 C ATOM 502 C ARG A 36 15.433 -0.101 7.139 1.00 0.00 C ATOM 503 O ARG A 36 16.356 -0.223 6.333 1.00 0.00 O ATOM 504 CB ARG A 36 14.935 -2.532 6.824 1.00 0.00 C ATOM 505 CG ARG A 36 14.349 -3.722 7.568 1.00 0.00 C ATOM 506 CD ARG A 36 14.669 -5.031 6.864 1.00 0.00 C ATOM 507 NE ARG A 36 13.951 -6.159 7.452 1.00 0.00 N ATOM 508 CZ ARG A 36 13.705 -7.292 6.805 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.118 -7.448 5.554 1.00 0.00 N ATOM 510 NH2 ARG A 36 13.046 -8.273 7.409 1.00 0.00 N ATOM 0 H ARG A 36 12.948 -1.520 5.774 1.00 0.00 H new ATOM 0 HA ARG A 36 14.083 -1.257 8.329 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.747 -2.653 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.017 -2.526 6.959 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.744 -3.748 8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.268 -3.606 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.410 -4.947 5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.742 -5.218 6.916 1.00 0.00 H new ATOM 0 HE ARG A 36 13.620 -6.071 8.413 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.626 -6.697 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.928 -8.319 5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.728 -8.157 8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.858 -9.143 6.911 1.00 0.00 H new ATOM 524 N VAL A 37 15.298 0.960 7.929 1.00 0.00 N ATOM 525 CA VAL A 37 16.247 2.065 7.893 1.00 0.00 C ATOM 526 C VAL A 37 16.704 2.443 9.297 1.00 0.00 C ATOM 527 O VAL A 37 15.931 2.374 10.253 1.00 0.00 O ATOM 528 CB VAL A 37 15.639 3.306 7.212 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.301 3.006 5.760 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.406 3.777 7.969 1.00 0.00 C ATOM 0 H VAL A 37 14.540 1.077 8.602 1.00 0.00 H new ATOM 0 HA VAL A 37 17.105 1.725 7.313 1.00 0.00 H new ATOM 0 HB VAL A 37 16.377 4.108 7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.873 3.894 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.208 2.719 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.580 2.190 5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.989 4.654 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.662 2.981 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.683 4.034 8.991 1.00 0.00 H new ATOM 540 N SER A 38 17.967 2.843 9.416 1.00 0.00 N ATOM 541 CA SER A 38 18.529 3.229 10.705 1.00 0.00 C ATOM 542 C SER A 38 18.659 4.745 10.808 1.00 0.00 C ATOM 543 O SER A 38 19.485 5.259 11.564 1.00 0.00 O ATOM 544 CB SER A 38 19.896 2.573 10.906 1.00 0.00 C ATOM 545 OG SER A 38 19.767 1.307 11.530 1.00 0.00 O ATOM 0 H SER A 38 18.620 2.908 8.635 1.00 0.00 H new ATOM 0 HA SER A 38 17.851 2.886 11.487 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.393 2.458 9.943 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.527 3.220 11.515 1.00 0.00 H new ATOM 0 HG SER A 38 20.654 0.907 11.646 1.00 0.00 H new ATOM 551 N PHE A 39 17.839 5.457 10.043 1.00 0.00 N ATOM 552 CA PHE A 39 17.862 6.915 10.047 1.00 0.00 C ATOM 553 C PHE A 39 16.476 7.482 9.755 1.00 0.00 C ATOM 554 O PHE A 39 15.509 6.737 9.596 1.00 0.00 O ATOM 555 CB PHE A 39 18.865 7.433 9.014 1.00 0.00 C ATOM 556 CG PHE A 39 18.630 6.899 7.630 1.00 0.00 C ATOM 557 CD1 PHE A 39 19.124 5.659 7.259 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.914 7.636 6.700 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.910 5.165 5.986 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.696 7.147 5.426 1.00 0.00 C ATOM 561 CZ PHE A 39 18.194 5.909 5.069 1.00 0.00 C ATOM 0 H PHE A 39 17.150 5.048 9.412 1.00 0.00 H new ATOM 0 HA PHE A 39 18.169 7.246 11.039 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.818 8.522 8.988 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.873 7.165 9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.683 5.072 7.973 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.522 8.604 6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.302 4.198 5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 39 17.137 7.732 4.711 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.024 5.524 4.075 1.00 0.00 H new ATOM 571 N ARG A 40 16.387 8.807 9.687 1.00 0.00 N ATOM 572 CA ARG A 40 15.120 9.475 9.416 1.00 0.00 C ATOM 573 C ARG A 40 14.880 9.598 7.915 1.00 0.00 C ATOM 574 O ARG A 40 15.701 10.159 7.188 1.00 0.00 O ATOM 575 CB ARG A 40 15.101 10.861 10.062 1.00 0.00 C ATOM 576 CG ARG A 40 13.713 11.325 10.470 1.00 0.00 C ATOM 577 CD ARG A 40 13.328 10.793 11.842 1.00 0.00 C ATOM 578 NE ARG A 40 11.994 11.230 12.244 1.00 0.00 N ATOM 579 CZ ARG A 40 11.746 12.405 12.813 1.00 0.00 C ATOM 580 NH1 ARG A 40 12.737 13.255 13.044 1.00 0.00 N ATOM 581 NH2 ARG A 40 10.505 12.731 13.151 1.00 0.00 N ATOM 0 H ARG A 40 17.178 9.439 9.816 1.00 0.00 H new ATOM 0 HA ARG A 40 14.321 8.871 9.846 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.744 10.851 10.942 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.526 11.583 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.680 12.414 10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.985 10.990 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.365 9.704 11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.057 11.130 12.579 1.00 0.00 H new ATOM 0 HE ARG A 40 11.210 10.599 12.079 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.692 13.008 12.785 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.544 14.156 13.481 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.740 12.079 12.974 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.316 13.633 13.588 1.00 0.00 H new ATOM 595 N LEU A 41 13.751 9.069 7.456 1.00 0.00 N ATOM 596 CA LEU A 41 13.402 9.119 6.040 1.00 0.00 C ATOM 597 C LEU A 41 12.974 10.526 5.634 1.00 0.00 C ATOM 598 O LEU A 41 12.235 11.195 6.357 1.00 0.00 O ATOM 599 CB LEU A 41 12.281 8.124 5.735 1.00 0.00 C ATOM 600 CG LEU A 41 12.719 6.689 5.442 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.508 5.783 5.282 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.591 6.642 4.195 1.00 0.00 C ATOM 0 H LEU A 41 13.061 8.600 8.044 1.00 0.00 H new ATOM 0 HA LEU A 41 14.286 8.848 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.596 8.108 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.718 8.493 4.878 1.00 0.00 H new ATOM 0 HG LEU A 41 13.307 6.329 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.840 4.766 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.922 5.793 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.893 6.140 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.894 5.613 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.027 7.021 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.477 7.258 4.347 1.00 0.00 H new ATOM 614 N LYS A 42 13.440 10.969 4.472 1.00 0.00 N ATOM 615 CA LYS A 42 13.103 12.294 3.966 1.00 0.00 C ATOM 616 C LYS A 42 11.925 12.225 3.001 1.00 0.00 C ATOM 617 O LYS A 42 11.880 11.365 2.122 1.00 0.00 O ATOM 618 CB LYS A 42 14.313 12.919 3.267 1.00 0.00 C ATOM 619 CG LYS A 42 15.597 12.824 4.073 1.00 0.00 C ATOM 620 CD LYS A 42 16.284 11.483 3.872 1.00 0.00 C ATOM 621 CE LYS A 42 17.778 11.576 4.142 1.00 0.00 C ATOM 622 NZ LYS A 42 18.100 11.313 5.572 1.00 0.00 N ATOM 0 H LYS A 42 14.053 10.429 3.862 1.00 0.00 H new ATOM 0 HA LYS A 42 12.819 12.917 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.460 12.428 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.101 13.968 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.272 13.627 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.375 12.965 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.839 10.742 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.118 11.138 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.306 10.859 3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.136 12.568 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.395 12.199 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.258 10.938 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.872 10.618 5.632 1.00 0.00 H new ATOM 636 N GLY A 43 10.972 13.137 3.169 1.00 0.00 N ATOM 637 CA GLY A 43 9.807 13.162 2.304 1.00 0.00 C ATOM 638 C GLY A 43 10.167 12.986 0.842 1.00 0.00 C ATOM 639 O GLY A 43 9.434 12.347 0.087 1.00 0.00 O ATOM 0 H GLY A 43 10.986 13.859 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.119 12.371 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.282 14.108 2.434 1.00 0.00 H new ATOM 643 N LYS A 44 11.297 13.557 0.440 1.00 0.00 N ATOM 644 CA LYS A 44 11.754 13.461 -0.941 1.00 0.00 C ATOM 645 C LYS A 44 12.369 12.093 -1.217 1.00 0.00 C ATOM 646 O LYS A 44 12.223 11.545 -2.310 1.00 0.00 O ATOM 647 CB LYS A 44 12.775 14.561 -1.240 1.00 0.00 C ATOM 648 CG LYS A 44 14.098 14.375 -0.518 1.00 0.00 C ATOM 649 CD LYS A 44 14.844 15.691 -0.373 1.00 0.00 C ATOM 650 CE LYS A 44 16.347 15.474 -0.294 1.00 0.00 C ATOM 651 NZ LYS A 44 16.739 14.751 0.948 1.00 0.00 N ATOM 0 H LYS A 44 11.914 14.092 1.052 1.00 0.00 H new ATOM 0 HA LYS A 44 10.890 13.589 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.958 14.593 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.350 15.525 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.918 13.947 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.716 13.664 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.613 16.337 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.502 16.207 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.678 14.907 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.855 16.438 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.771 14.623 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.446 15.304 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.274 13.821 0.970 1.00 0.00 H new ATOM 665 N ASP A 45 13.056 11.546 -0.220 1.00 0.00 N ATOM 666 CA ASP A 45 13.691 10.241 -0.355 1.00 0.00 C ATOM 667 C ASP A 45 12.661 9.168 -0.695 1.00 0.00 C ATOM 668 O ASP A 45 12.902 8.308 -1.543 1.00 0.00 O ATOM 669 CB ASP A 45 14.424 9.871 0.935 1.00 0.00 C ATOM 670 CG ASP A 45 15.356 8.688 0.753 1.00 0.00 C ATOM 671 OD1 ASP A 45 14.858 7.544 0.697 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.582 8.907 0.666 1.00 0.00 O ATOM 0 H ASP A 45 13.187 11.987 0.691 1.00 0.00 H new ATOM 0 HA ASP A 45 14.412 10.298 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.997 10.731 1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.694 9.639 1.710 1.00 0.00 H new ATOM 677 N VAL A 46 11.513 9.224 -0.028 1.00 0.00 N ATOM 678 CA VAL A 46 10.446 8.257 -0.259 1.00 0.00 C ATOM 679 C VAL A 46 9.480 8.751 -1.330 1.00 0.00 C ATOM 680 O VAL A 46 9.265 9.954 -1.480 1.00 0.00 O ATOM 681 CB VAL A 46 9.660 7.969 1.033 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.580 7.397 2.102 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.972 9.231 1.531 1.00 0.00 C ATOM 0 H VAL A 46 11.298 9.929 0.677 1.00 0.00 H new ATOM 0 HA VAL A 46 10.921 7.336 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 46 8.893 7.227 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.007 7.200 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.022 6.468 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.371 8.113 2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.421 9.009 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.720 9.997 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.281 9.593 0.770 1.00 0.00 H new ATOM 693 N VAL A 47 8.898 7.815 -2.072 1.00 0.00 N ATOM 694 CA VAL A 47 7.951 8.154 -3.128 1.00 0.00 C ATOM 695 C VAL A 47 6.562 7.611 -2.816 1.00 0.00 C ATOM 696 O VAL A 47 6.342 6.399 -2.816 1.00 0.00 O ATOM 697 CB VAL A 47 8.411 7.605 -4.491 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.427 7.995 -5.583 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.811 8.103 -4.821 1.00 0.00 C ATOM 0 H VAL A 47 9.066 6.815 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 47 7.909 9.242 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 47 8.441 6.517 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.769 7.598 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.444 7.585 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.362 9.081 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.120 7.705 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.810 9.192 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.507 7.768 -4.052 1.00 0.00 H new ATOM 709 N VAL A 48 5.624 8.515 -2.550 1.00 0.00 N ATOM 710 CA VAL A 48 4.254 8.127 -2.238 1.00 0.00 C ATOM 711 C VAL A 48 3.258 8.866 -3.125 1.00 0.00 C ATOM 712 O VAL A 48 2.839 9.980 -2.810 1.00 0.00 O ATOM 713 CB VAL A 48 3.914 8.404 -0.762 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.426 8.219 -0.512 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.733 7.503 0.151 1.00 0.00 C ATOM 0 H VAL A 48 5.789 9.522 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 48 4.178 7.056 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 48 4.169 9.440 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.206 8.419 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.863 8.910 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.141 7.195 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.480 7.712 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.512 6.460 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.795 7.691 -0.009 1.00 0.00 H new ATOM 725 N ASP A 49 2.883 8.239 -4.234 1.00 0.00 N ATOM 726 CA ASP A 49 1.934 8.836 -5.167 1.00 0.00 C ATOM 727 C ASP A 49 0.505 8.423 -4.827 1.00 0.00 C ATOM 728 O ASP A 49 0.171 7.238 -4.842 1.00 0.00 O ATOM 729 CB ASP A 49 2.269 8.426 -6.601 1.00 0.00 C ATOM 730 CG ASP A 49 1.616 9.329 -7.629 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.466 9.044 -8.025 1.00 0.00 O ATOM 732 OD2 ASP A 49 2.255 10.322 -8.037 1.00 0.00 O ATOM 0 H ASP A 49 3.222 7.317 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 49 2.010 9.920 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.350 8.446 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.946 7.398 -6.767 1.00 0.00 H new ATOM 737 N ILE A 50 -0.333 9.408 -4.521 1.00 0.00 N ATOM 738 CA ILE A 50 -1.725 9.146 -4.178 1.00 0.00 C ATOM 739 C ILE A 50 -2.665 9.662 -5.263 1.00 0.00 C ATOM 740 O ILE A 50 -2.657 10.848 -5.591 1.00 0.00 O ATOM 741 CB ILE A 50 -2.105 9.795 -2.834 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.213 9.258 -1.713 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.572 9.541 -2.519 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.280 10.077 -0.443 1.00 0.00 C ATOM 0 H ILE A 50 -0.072 10.394 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.831 8.065 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.951 10.871 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.503 8.231 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.181 9.229 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.825 10.006 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.193 9.967 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.750 8.467 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.623 9.638 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.962 11.098 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.304 10.085 -0.069 1.00 0.00 H new ATOM 756 N GLN A 51 -3.474 8.763 -5.814 1.00 0.00 N ATOM 757 CA GLN A 51 -4.421 9.128 -6.861 1.00 0.00 C ATOM 758 C GLN A 51 -5.847 8.777 -6.451 1.00 0.00 C ATOM 759 O GLN A 51 -6.072 8.176 -5.401 1.00 0.00 O ATOM 760 CB GLN A 51 -4.064 8.421 -8.169 1.00 0.00 C ATOM 761 CG GLN A 51 -3.111 9.214 -9.049 1.00 0.00 C ATOM 762 CD GLN A 51 -3.645 10.591 -9.394 1.00 0.00 C ATOM 763 OE1 GLN A 51 -4.853 10.785 -9.529 1.00 0.00 O ATOM 764 NE2 GLN A 51 -2.744 11.556 -9.539 1.00 0.00 N ATOM 0 H GLN A 51 -3.493 7.777 -5.553 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.361 10.206 -7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.614 7.455 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.979 8.222 -8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.153 9.317 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.925 8.659 -9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.752 11.350 -9.418 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.044 12.503 -9.771 1.00 0.00 H new ATOM 773 N ARG A 52 -6.808 9.156 -7.288 1.00 0.00 N ATOM 774 CA ARG A 52 -8.213 8.882 -7.012 1.00 0.00 C ATOM 775 C ARG A 52 -8.451 7.384 -6.841 1.00 0.00 C ATOM 776 O ARG A 52 -8.924 6.937 -5.796 1.00 0.00 O ATOM 777 CB ARG A 52 -9.091 9.423 -8.142 1.00 0.00 C ATOM 778 CG ARG A 52 -10.558 9.552 -7.764 1.00 0.00 C ATOM 779 CD ARG A 52 -10.789 10.719 -6.818 1.00 0.00 C ATOM 780 NE ARG A 52 -12.137 11.268 -6.944 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.628 12.204 -6.139 1.00 0.00 C ATOM 782 NH1 ARG A 52 -11.886 12.692 -5.155 1.00 0.00 N ATOM 783 NH2 ARG A 52 -13.863 12.653 -6.319 1.00 0.00 N ATOM 0 H ARG A 52 -6.639 9.653 -8.162 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.480 9.383 -6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.716 10.400 -8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.004 8.764 -9.006 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.156 9.689 -8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.896 8.629 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.626 10.391 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.058 11.502 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.734 10.913 -7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.936 12.349 -5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.265 13.411 -4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.436 12.280 -7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.240 13.372 -5.701 1.00 0.00 H new ATOM 797 N ARG A 53 -8.122 6.616 -7.874 1.00 0.00 N ATOM 798 CA ARG A 53 -8.302 5.169 -7.838 1.00 0.00 C ATOM 799 C ARG A 53 -6.967 4.451 -8.017 1.00 0.00 C ATOM 800 O ARG A 53 -6.894 3.409 -8.670 1.00 0.00 O ATOM 801 CB ARG A 53 -9.281 4.729 -8.928 1.00 0.00 C ATOM 802 CG ARG A 53 -10.083 3.491 -8.562 1.00 0.00 C ATOM 803 CD ARG A 53 -11.382 3.416 -9.349 1.00 0.00 C ATOM 804 NE ARG A 53 -11.220 2.690 -10.605 1.00 0.00 N ATOM 805 CZ ARG A 53 -12.008 2.863 -11.661 1.00 0.00 C ATOM 806 NH1 ARG A 53 -13.008 3.733 -11.610 1.00 0.00 N ATOM 807 NH2 ARG A 53 -11.797 2.165 -12.769 1.00 0.00 N ATOM 0 H ARG A 53 -7.730 6.971 -8.746 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.710 4.902 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.969 5.548 -9.139 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.726 4.534 -9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.487 2.599 -8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.303 3.501 -7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.145 2.927 -8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.739 4.425 -9.557 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.460 2.013 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.173 4.271 -10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.612 3.864 -12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.029 1.495 -12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.402 2.299 -13.579 1.00 0.00 H new ATOM 821 N HIS A 54 -5.914 5.015 -7.434 1.00 0.00 N ATOM 822 CA HIS A 54 -4.582 4.428 -7.529 1.00 0.00 C ATOM 823 C HIS A 54 -3.668 4.976 -6.437 1.00 0.00 C ATOM 824 O HIS A 54 -3.776 6.140 -6.049 1.00 0.00 O ATOM 825 CB HIS A 54 -3.977 4.706 -8.905 1.00 0.00 C ATOM 826 CG HIS A 54 -2.608 4.126 -9.085 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.466 4.896 -9.152 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.201 2.841 -9.210 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.416 4.111 -9.313 1.00 0.00 C ATOM 830 NE2 HIS A 54 -0.835 2.858 -9.351 1.00 0.00 N ATOM 0 H HIS A 54 -5.957 5.877 -6.891 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.675 3.351 -7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.638 4.302 -9.672 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.930 5.784 -9.061 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.833 1.965 -9.201 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.610 4.437 -9.399 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.241 2.037 -9.466 1.00 0.00 H new ATOM 839 N LEU A 55 -2.770 4.131 -5.945 1.00 0.00 N ATOM 840 CA LEU A 55 -1.837 4.530 -4.897 1.00 0.00 C ATOM 841 C LEU A 55 -0.486 3.846 -5.082 1.00 0.00 C ATOM 842 O LEU A 55 -0.417 2.680 -5.469 1.00 0.00 O ATOM 843 CB LEU A 55 -2.409 4.189 -3.520 1.00 0.00 C ATOM 844 CG LEU A 55 -1.420 4.221 -2.355 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.921 5.637 -2.116 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.062 3.659 -1.095 1.00 0.00 C ATOM 0 H LEU A 55 -2.668 3.165 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.691 5.608 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.218 4.886 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.850 3.193 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.565 3.596 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.218 5.639 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.422 6.003 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.765 6.285 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.344 3.690 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.935 4.257 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.368 2.628 -1.271 1.00 0.00 H new ATOM 858 N ARG A 56 0.586 4.580 -4.800 1.00 0.00 N ATOM 859 CA ARG A 56 1.936 4.044 -4.934 1.00 0.00 C ATOM 860 C ARG A 56 2.824 4.515 -3.786 1.00 0.00 C ATOM 861 O ARG A 56 2.794 5.685 -3.404 1.00 0.00 O ATOM 862 CB ARG A 56 2.545 4.467 -6.272 1.00 0.00 C ATOM 863 CG ARG A 56 3.698 3.586 -6.722 1.00 0.00 C ATOM 864 CD ARG A 56 4.601 4.309 -7.709 1.00 0.00 C ATOM 865 NE ARG A 56 5.229 3.389 -8.653 1.00 0.00 N ATOM 866 CZ ARG A 56 4.647 2.972 -9.771 1.00 0.00 C ATOM 867 NH1 ARG A 56 3.429 3.391 -10.084 1.00 0.00 N ATOM 868 NH2 ARG A 56 5.284 2.134 -10.579 1.00 0.00 N ATOM 0 H ARG A 56 0.546 5.547 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 56 1.874 2.956 -4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.768 4.452 -7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.895 5.496 -6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.280 3.276 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.306 2.679 -7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.019 5.049 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.373 4.851 -7.163 1.00 0.00 H new ATOM 0 HE ARG A 56 6.167 3.048 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.937 4.035 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.984 3.069 -10.944 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.221 1.810 -10.341 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.836 1.814 -11.438 1.00 0.00 H new ATOM 882 N VAL A 57 3.614 3.596 -3.241 1.00 0.00 N ATOM 883 CA VAL A 57 4.512 3.917 -2.137 1.00 0.00 C ATOM 884 C VAL A 57 5.845 3.192 -2.285 1.00 0.00 C ATOM 885 O VAL A 57 5.892 2.034 -2.698 1.00 0.00 O ATOM 886 CB VAL A 57 3.886 3.546 -0.779 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.881 3.778 0.348 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.610 4.340 -0.547 1.00 0.00 C ATOM 0 H VAL A 57 3.651 2.623 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 57 4.682 4.993 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 57 3.630 2.487 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.422 3.511 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.765 3.161 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.170 4.829 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.181 4.066 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.839 5.406 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.895 4.119 -1.339 1.00 0.00 H new ATOM 898 N GLY A 58 6.929 3.883 -1.944 1.00 0.00 N ATOM 899 CA GLY A 58 8.249 3.289 -2.045 1.00 0.00 C ATOM 900 C GLY A 58 9.358 4.305 -1.851 1.00 0.00 C ATOM 901 O GLY A 58 9.231 5.227 -1.044 1.00 0.00 O ATOM 0 H GLY A 58 6.916 4.843 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.348 2.501 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.358 2.818 -3.022 1.00 0.00 H new ATOM 905 N LEU A 59 10.448 4.136 -2.590 1.00 0.00 N ATOM 906 CA LEU A 59 11.586 5.044 -2.495 1.00 0.00 C ATOM 907 C LEU A 59 12.055 5.476 -3.880 1.00 0.00 C ATOM 908 O LEU A 59 11.885 4.750 -4.860 1.00 0.00 O ATOM 909 CB LEU A 59 12.735 4.376 -1.739 1.00 0.00 C ATOM 910 CG LEU A 59 12.365 3.688 -0.425 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.442 2.693 -0.021 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.148 4.718 0.674 1.00 0.00 C ATOM 0 H LEU A 59 10.568 3.378 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 59 11.267 5.931 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.194 3.637 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.493 5.131 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 59 11.433 3.142 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.161 2.213 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.548 1.936 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.390 3.215 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.885 4.210 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.063 5.292 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.340 5.391 0.388 1.00 0.00 H new ATOM 924 N LYS A 60 12.650 6.662 -3.955 1.00 0.00 N ATOM 925 CA LYS A 60 13.148 7.190 -5.220 1.00 0.00 C ATOM 926 C LYS A 60 14.163 6.238 -5.844 1.00 0.00 C ATOM 927 O LYS A 60 15.045 5.720 -5.161 1.00 0.00 O ATOM 928 CB LYS A 60 13.786 8.564 -5.006 1.00 0.00 C ATOM 929 CG LYS A 60 12.824 9.721 -5.214 1.00 0.00 C ATOM 930 CD LYS A 60 12.450 9.877 -6.679 1.00 0.00 C ATOM 931 CE LYS A 60 13.539 10.598 -7.459 1.00 0.00 C ATOM 932 NZ LYS A 60 14.602 9.662 -7.920 1.00 0.00 N ATOM 0 H LYS A 60 12.799 7.276 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 60 12.303 7.291 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.188 8.615 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.628 8.675 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.923 9.557 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.279 10.643 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.277 8.894 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.515 10.432 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.098 11.099 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.983 11.372 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.451 9.784 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.262 8.683 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.836 9.864 -8.913 1.00 0.00 H new ATOM 946 N GLY A 61 14.033 6.014 -7.149 1.00 0.00 N ATOM 947 CA GLY A 61 14.947 5.126 -7.844 1.00 0.00 C ATOM 948 C GLY A 61 14.655 3.664 -7.570 1.00 0.00 C ATOM 949 O GLY A 61 14.620 2.849 -8.491 1.00 0.00 O ATOM 0 H GLY A 61 13.311 6.432 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.884 5.311 -8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.969 5.352 -7.541 1.00 0.00 H new ATOM 953 N GLN A 62 14.447 3.332 -6.300 1.00 0.00 N ATOM 954 CA GLN A 62 14.159 1.957 -5.908 1.00 0.00 C ATOM 955 C GLN A 62 12.748 1.556 -6.325 1.00 0.00 C ATOM 956 O GLN A 62 11.900 2.398 -6.625 1.00 0.00 O ATOM 957 CB GLN A 62 14.324 1.790 -4.397 1.00 0.00 C ATOM 958 CG GLN A 62 15.711 1.324 -3.984 1.00 0.00 C ATOM 959 CD GLN A 62 15.986 1.544 -2.509 1.00 0.00 C ATOM 960 OE1 GLN A 62 16.674 2.491 -2.128 1.00 0.00 O ATOM 961 NE2 GLN A 62 15.448 0.666 -1.670 1.00 0.00 N ATOM 0 H GLN A 62 14.472 3.995 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 62 14.868 1.305 -6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.109 2.741 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.587 1.073 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.818 0.264 -4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.459 1.856 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.884 -0.104 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.599 0.762 -0.666 1.00 0.00 H new ATOM 970 N PRO A 63 12.487 0.241 -6.345 1.00 0.00 N ATOM 971 CA PRO A 63 11.179 -0.302 -6.723 1.00 0.00 C ATOM 972 C PRO A 63 10.105 -0.005 -5.681 1.00 0.00 C ATOM 973 O PRO A 63 10.337 -0.090 -4.475 1.00 0.00 O ATOM 974 CB PRO A 63 11.432 -1.808 -6.816 1.00 0.00 C ATOM 975 CG PRO A 63 12.594 -2.053 -5.916 1.00 0.00 C ATOM 976 CD PRO A 63 13.450 -0.819 -5.999 1.00 0.00 C ATOM 0 HA PRO A 63 10.807 0.139 -7.648 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.558 -2.377 -6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.654 -2.110 -7.840 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.264 -2.231 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.151 -2.936 -6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.952 -0.613 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.227 -0.919 -6.757 1.00 0.00 H new ATOM 984 N PRO A 64 8.902 0.351 -6.155 1.00 0.00 N ATOM 985 CA PRO A 64 7.769 0.666 -5.280 1.00 0.00 C ATOM 986 C PRO A 64 7.230 -0.567 -4.562 1.00 0.00 C ATOM 987 O PRO A 64 6.848 -1.550 -5.197 1.00 0.00 O ATOM 988 CB PRO A 64 6.720 1.223 -6.245 1.00 0.00 C ATOM 989 CG PRO A 64 7.058 0.617 -7.564 1.00 0.00 C ATOM 990 CD PRO A 64 8.555 0.472 -7.581 1.00 0.00 C ATOM 0 HA PRO A 64 8.048 1.358 -4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.711 0.953 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.760 2.311 -6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.571 -0.350 -7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.718 1.250 -8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.867 -0.406 -8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.037 1.335 -8.040 1.00 0.00 H new ATOM 998 N VAL A 65 7.202 -0.508 -3.234 1.00 0.00 N ATOM 999 CA VAL A 65 6.709 -1.620 -2.430 1.00 0.00 C ATOM 1000 C VAL A 65 5.228 -1.872 -2.691 1.00 0.00 C ATOM 1001 O VAL A 65 4.791 -3.018 -2.789 1.00 0.00 O ATOM 1002 CB VAL A 65 6.917 -1.360 -0.926 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.434 -2.547 -0.107 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.380 -1.061 -0.635 1.00 0.00 C ATOM 0 H VAL A 65 7.515 0.298 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 65 7.281 -2.501 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 65 6.328 -0.489 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.589 -2.345 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.373 -2.710 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.994 -3.438 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.509 -0.880 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.992 -1.912 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.689 -0.177 -1.193 1.00 0.00 H new ATOM 1014 N VAL A 66 4.460 -0.793 -2.802 1.00 0.00 N ATOM 1015 CA VAL A 66 3.028 -0.896 -3.053 1.00 0.00 C ATOM 1016 C VAL A 66 2.651 -0.229 -4.371 1.00 0.00 C ATOM 1017 O VAL A 66 2.784 0.986 -4.524 1.00 0.00 O ATOM 1018 CB VAL A 66 2.210 -0.257 -1.915 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.729 -0.251 -2.259 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.459 -0.990 -0.605 1.00 0.00 C ATOM 0 H VAL A 66 4.806 0.163 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 66 2.793 -1.959 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 66 2.534 0.777 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.168 0.204 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.570 0.322 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.386 -1.275 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.874 -0.526 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.164 -2.034 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.518 -0.936 -0.353 1.00 0.00 H new ATOM 1030 N ASP A 67 2.181 -1.030 -5.320 1.00 0.00 N ATOM 1031 CA ASP A 67 1.783 -0.517 -6.626 1.00 0.00 C ATOM 1032 C ASP A 67 0.615 -1.319 -7.192 1.00 0.00 C ATOM 1033 O ASP A 67 0.767 -2.484 -7.555 1.00 0.00 O ATOM 1034 CB ASP A 67 2.964 -0.559 -7.596 1.00 0.00 C ATOM 1035 CG ASP A 67 3.339 -1.974 -7.991 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.084 -2.625 -7.228 1.00 0.00 O ATOM 1037 OD2 ASP A 67 2.888 -2.430 -9.062 1.00 0.00 O ATOM 0 H ASP A 67 2.066 -2.037 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 67 1.463 0.517 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.716 0.011 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.825 -0.073 -7.137 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.552 -0.685 -7.264 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.729 -1.355 -7.786 1.00 0.00 C ATOM 1044 C GLY A 68 -2.973 -0.493 -7.700 1.00 0.00 C ATOM 1045 O GLY A 68 -3.052 0.412 -6.870 1.00 0.00 O ATOM 0 H GLY A 68 -0.703 0.280 -6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.554 -1.633 -8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.892 -2.280 -7.232 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.946 -0.774 -8.561 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.190 -0.014 -8.581 1.00 0.00 C ATOM 1051 C GLU A 69 -5.981 -0.233 -7.294 1.00 0.00 C ATOM 1052 O GLU A 69 -6.122 -1.362 -6.822 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.040 -0.416 -9.788 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.357 0.336 -9.882 1.00 0.00 C ATOM 1055 CD GLU A 69 -7.831 0.506 -11.312 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.808 -0.488 -12.068 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -8.225 1.634 -11.676 1.00 0.00 O ATOM 0 H GLU A 69 -3.897 -1.522 -9.253 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.939 1.044 -8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.467 -0.244 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.245 -1.485 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.117 -0.198 -9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.244 1.317 -9.421 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.493 0.855 -6.729 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.270 0.784 -5.496 1.00 0.00 C ATOM 1066 C LEU A 70 -8.626 0.131 -5.743 1.00 0.00 C ATOM 1067 O LEU A 70 -9.307 0.443 -6.721 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.463 2.184 -4.911 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.231 2.817 -4.265 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.375 4.330 -4.209 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -6.008 2.250 -2.870 1.00 0.00 C ATOM 0 H LEU A 70 -6.384 1.797 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.718 0.172 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.811 2.843 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.256 2.138 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.361 2.577 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.488 4.763 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.485 4.723 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.255 4.590 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.127 2.712 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.879 2.459 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.858 1.172 -2.935 1.00 0.00 H new ATOM 1083 N TYR A 71 -9.013 -0.773 -4.851 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.288 -1.470 -4.972 1.00 0.00 C ATOM 1085 C TYR A 71 -11.408 -0.498 -5.331 1.00 0.00 C ATOM 1086 O TYR A 71 -12.231 -0.776 -6.201 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.624 -2.193 -3.667 1.00 0.00 C ATOM 1088 CG TYR A 71 -12.081 -2.580 -3.547 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.700 -3.345 -4.527 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.838 -2.180 -2.452 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -14.031 -3.700 -4.421 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.169 -2.532 -2.337 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.761 -3.291 -3.325 1.00 0.00 C ATOM 1094 OH TYR A 71 -16.086 -3.644 -3.215 1.00 0.00 O ATOM 0 H TYR A 71 -8.462 -1.041 -4.036 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.197 -2.204 -5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.011 -3.091 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.357 -1.552 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.131 -3.668 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.378 -1.584 -1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.497 -4.295 -5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.743 -2.215 -1.479 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.454 -3.277 -2.384 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.430 0.645 -4.652 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.448 1.660 -4.898 1.00 0.00 C ATOM 1106 C ASN A 72 -11.837 3.058 -4.885 1.00 0.00 C ATOM 1107 O ASN A 72 -10.651 3.224 -4.604 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.556 1.566 -3.847 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.855 2.192 -4.318 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.371 1.850 -5.382 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.389 3.114 -3.526 1.00 0.00 N ATOM 0 H ASN A 72 -10.755 0.891 -3.928 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.875 1.479 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.730 0.519 -3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.228 2.060 -2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.262 3.570 -3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.926 3.366 -2.653 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.657 4.059 -5.191 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.196 5.442 -5.215 1.00 0.00 C ATOM 1120 C GLU A 73 -11.919 5.948 -3.802 1.00 0.00 C ATOM 1121 O GLU A 73 -12.543 5.504 -2.838 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.234 6.338 -5.894 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.032 6.473 -7.394 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.501 7.813 -7.927 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.324 8.465 -7.251 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.045 8.209 -9.020 1.00 0.00 O ATOM 0 H GLU A 73 -13.642 3.938 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.267 5.478 -5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.229 5.935 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.199 7.329 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.975 6.343 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.572 5.675 -7.903 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.979 6.880 -3.686 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.619 7.447 -2.392 1.00 0.00 C ATOM 1135 C VAL A 74 -10.296 8.932 -2.514 1.00 0.00 C ATOM 1136 O VAL A 74 -9.398 9.325 -3.258 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.409 6.719 -1.777 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.721 5.245 -1.572 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.179 6.895 -2.655 1.00 0.00 C ATOM 0 H VAL A 74 -10.452 7.259 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.482 7.318 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.198 7.160 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.855 4.747 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.573 5.144 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.959 4.787 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.334 6.374 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.376 6.481 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.945 7.956 -2.745 1.00 0.00 H new ATOM 1149 N LYS A 75 -11.035 9.755 -1.777 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.828 11.198 -1.799 1.00 0.00 C ATOM 1151 C LYS A 75 -9.340 11.534 -1.781 1.00 0.00 C ATOM 1152 O LYS A 75 -8.731 11.641 -0.717 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.525 11.852 -0.604 1.00 0.00 C ATOM 1154 CG LYS A 75 -12.038 13.253 -0.891 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.212 13.611 0.005 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.692 15.032 -0.248 1.00 0.00 C ATOM 1157 NZ LYS A 75 -12.922 16.028 0.547 1.00 0.00 N ATOM 0 H LYS A 75 -11.783 9.446 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.259 11.588 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.361 11.225 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.829 11.894 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.233 13.973 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.341 13.324 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.031 12.913 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.920 13.505 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.598 15.263 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.750 15.108 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.313 16.978 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.990 15.793 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.924 16.010 0.254 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.762 11.702 -2.966 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.346 12.030 -3.085 1.00 0.00 C ATOM 1173 C VAL A 76 -7.066 13.446 -2.595 1.00 0.00 C ATOM 1174 O VAL A 76 -6.005 13.720 -2.035 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.860 11.897 -4.541 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.627 12.846 -5.449 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.364 12.155 -4.628 1.00 0.00 C ATOM 0 H VAL A 76 -9.252 11.617 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.803 11.319 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.050 10.878 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.270 12.738 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.690 12.609 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.471 13.873 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.037 12.057 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.147 13.163 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.833 11.431 -4.010 1.00 0.00 H new ATOM 1187 N GLU A 77 -8.025 14.341 -2.809 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.880 15.730 -2.389 1.00 0.00 C ATOM 1189 C GLU A 77 -7.665 15.822 -0.881 1.00 0.00 C ATOM 1190 O GLU A 77 -7.090 16.790 -0.384 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.116 16.538 -2.789 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.311 16.649 -4.292 1.00 0.00 C ATOM 1193 CD GLU A 77 -8.512 17.784 -4.902 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -8.287 18.794 -4.204 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -8.111 17.661 -6.079 1.00 0.00 O ATOM 0 H GLU A 77 -8.910 14.130 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.005 16.145 -2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.000 16.075 -2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.037 17.540 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.019 15.710 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.369 16.798 -4.507 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.133 14.808 -0.159 1.00 0.00 N ATOM 1203 CA GLU A 78 -7.993 14.776 1.292 1.00 0.00 C ATOM 1204 C GLU A 78 -6.897 13.801 1.711 1.00 0.00 C ATOM 1205 O GLU A 78 -6.132 14.071 2.637 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.319 14.381 1.946 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.216 15.565 2.265 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.722 16.369 3.452 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -8.524 16.722 3.473 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -10.533 16.644 4.360 1.00 0.00 O ATOM 0 H GLU A 78 -8.612 13.999 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.714 15.775 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.853 13.700 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.112 13.834 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.278 16.214 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.225 15.207 2.468 1.00 0.00 H new ATOM 1217 N SER A 79 -6.827 12.666 1.023 1.00 0.00 N ATOM 1218 CA SER A 79 -5.828 11.648 1.326 1.00 0.00 C ATOM 1219 C SER A 79 -4.465 12.284 1.582 1.00 0.00 C ATOM 1220 O SER A 79 -4.128 13.312 0.995 1.00 0.00 O ATOM 1221 CB SER A 79 -5.727 10.644 0.176 1.00 0.00 C ATOM 1222 OG SER A 79 -6.775 9.691 0.237 1.00 0.00 O ATOM 0 H SER A 79 -7.451 12.428 0.252 1.00 0.00 H new ATOM 0 HA SER A 79 -6.141 11.124 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.767 11.172 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.765 10.134 0.218 1.00 0.00 H new ATOM 0 HG SER A 79 -7.611 10.104 -0.066 1.00 0.00 H new ATOM 1228 N SER A 80 -3.685 11.664 2.462 1.00 0.00 N ATOM 1229 CA SER A 80 -2.360 12.170 2.799 1.00 0.00 C ATOM 1230 C SER A 80 -1.557 11.122 3.564 1.00 0.00 C ATOM 1231 O SER A 80 -2.122 10.257 4.233 1.00 0.00 O ATOM 1232 CB SER A 80 -2.476 13.448 3.632 1.00 0.00 C ATOM 1233 OG SER A 80 -3.209 13.216 4.823 1.00 0.00 O ATOM 0 H SER A 80 -3.948 10.810 2.954 1.00 0.00 H new ATOM 0 HA SER A 80 -1.837 12.396 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.480 13.816 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.966 14.225 3.045 1.00 0.00 H new ATOM 0 HG SER A 80 -3.267 14.047 5.338 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.236 11.207 3.459 1.00 0.00 N ATOM 1240 CA TRP A 81 0.647 10.266 4.140 1.00 0.00 C ATOM 1241 C TRP A 81 1.622 10.999 5.054 1.00 0.00 C ATOM 1242 O TRP A 81 1.685 12.229 5.053 1.00 0.00 O ATOM 1243 CB TRP A 81 1.418 9.428 3.119 1.00 0.00 C ATOM 1244 CG TRP A 81 2.281 10.247 2.207 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.867 11.007 1.151 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.704 10.387 2.271 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.947 11.611 0.554 1.00 0.00 N ATOM 1248 CE2 TRP A 81 4.086 11.247 1.223 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.693 9.871 3.113 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.413 11.599 0.996 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 6.010 10.221 2.886 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.361 11.079 1.835 1.00 0.00 C ATOM 0 H TRP A 81 0.248 11.917 2.909 1.00 0.00 H new ATOM 0 HA TRP A 81 0.032 9.606 4.751 1.00 0.00 H new ATOM 0 HB2 TRP A 81 2.042 8.708 3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.709 8.856 2.520 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.841 11.117 0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.907 12.230 -0.256 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.432 9.210 3.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.685 12.259 0.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.782 9.827 3.530 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.399 11.335 1.684 1.00 0.00 H new ATOM 1263 N LEU A 82 2.381 10.238 5.834 1.00 0.00 N ATOM 1264 CA LEU A 82 3.355 10.816 6.754 1.00 0.00 C ATOM 1265 C LEU A 82 4.351 9.761 7.226 1.00 0.00 C ATOM 1266 O LEU A 82 3.987 8.607 7.452 1.00 0.00 O ATOM 1267 CB LEU A 82 2.643 11.436 7.958 1.00 0.00 C ATOM 1268 CG LEU A 82 2.165 10.459 9.032 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.274 10.184 10.035 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.930 11.002 9.736 1.00 0.00 C ATOM 0 H LEU A 82 2.341 9.219 5.848 1.00 0.00 H new ATOM 0 HA LEU A 82 3.903 11.594 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.318 12.154 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.781 11.997 7.596 1.00 0.00 H new ATOM 0 HG LEU A 82 1.899 9.519 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.915 9.487 10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.131 9.751 9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.572 11.117 10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.604 10.293 10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.169 11.956 10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.131 11.147 9.009 1.00 0.00 H new ATOM 1282 N ILE A 83 5.607 10.167 7.375 1.00 0.00 N ATOM 1283 CA ILE A 83 6.654 9.257 7.824 1.00 0.00 C ATOM 1284 C ILE A 83 6.616 9.079 9.338 1.00 0.00 C ATOM 1285 O ILE A 83 6.649 10.054 10.088 1.00 0.00 O ATOM 1286 CB ILE A 83 8.051 9.761 7.413 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.196 9.742 5.890 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.133 8.911 8.064 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.320 10.615 5.379 1.00 0.00 C ATOM 0 H ILE A 83 5.925 11.119 7.192 1.00 0.00 H new ATOM 0 HA ILE A 83 6.466 8.297 7.343 1.00 0.00 H new ATOM 0 HB ILE A 83 8.167 10.789 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.366 8.716 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.259 10.070 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.114 9.279 7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.039 8.970 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.022 7.874 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.364 10.552 4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.142 11.648 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.266 10.274 5.800 1.00 0.00 H new ATOM 1301 N GLU A 84 6.548 7.827 9.779 1.00 0.00 N ATOM 1302 CA GLU A 84 6.506 7.521 11.204 1.00 0.00 C ATOM 1303 C GLU A 84 7.869 7.045 11.699 1.00 0.00 C ATOM 1304 O GLU A 84 8.485 6.163 11.100 1.00 0.00 O ATOM 1305 CB GLU A 84 5.447 6.454 11.489 1.00 0.00 C ATOM 1306 CG GLU A 84 4.065 7.025 11.759 1.00 0.00 C ATOM 1307 CD GLU A 84 3.964 7.689 13.119 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.619 7.206 14.066 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.230 8.693 13.235 1.00 0.00 O ATOM 0 H GLU A 84 6.521 7.009 9.171 1.00 0.00 H new ATOM 0 HA GLU A 84 6.243 8.435 11.737 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.390 5.774 10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.761 5.863 12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.818 7.752 10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.327 6.226 11.693 1.00 0.00 H new ATOM 1316 N ASP A 85 8.333 7.635 12.794 1.00 0.00 N ATOM 1317 CA ASP A 85 9.623 7.272 13.370 1.00 0.00 C ATOM 1318 C ASP A 85 10.682 7.126 12.282 1.00 0.00 C ATOM 1319 O ASP A 85 11.531 6.238 12.344 1.00 0.00 O ATOM 1320 CB ASP A 85 9.503 5.968 14.161 1.00 0.00 C ATOM 1321 CG ASP A 85 8.935 6.184 15.550 1.00 0.00 C ATOM 1322 OD1 ASP A 85 7.699 6.314 15.672 1.00 0.00 O ATOM 1323 OD2 ASP A 85 9.727 6.225 16.516 1.00 0.00 O ATOM 0 H ASP A 85 7.836 8.367 13.301 1.00 0.00 H new ATOM 0 HA ASP A 85 9.930 8.071 14.045 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.866 5.273 13.615 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.486 5.504 14.242 1.00 0.00 H new ATOM 1328 N GLY A 86 10.625 8.003 11.285 1.00 0.00 N ATOM 1329 CA GLY A 86 11.584 7.954 10.197 1.00 0.00 C ATOM 1330 C GLY A 86 11.964 6.535 9.823 1.00 0.00 C ATOM 1331 O GLY A 86 13.087 6.279 9.390 1.00 0.00 O ATOM 0 H GLY A 86 9.931 8.747 11.211 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.166 8.457 9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.481 8.504 10.482 1.00 0.00 H new ATOM 1335 N LYS A 87 11.026 5.609 9.993 1.00 0.00 N ATOM 1336 CA LYS A 87 11.268 4.207 9.671 1.00 0.00 C ATOM 1337 C LYS A 87 10.106 3.625 8.873 1.00 0.00 C ATOM 1338 O LYS A 87 10.301 2.769 8.009 1.00 0.00 O ATOM 1339 CB LYS A 87 11.477 3.397 10.953 1.00 0.00 C ATOM 1340 CG LYS A 87 10.264 3.382 11.867 1.00 0.00 C ATOM 1341 CD LYS A 87 10.254 2.151 12.759 1.00 0.00 C ATOM 1342 CE LYS A 87 11.029 2.389 14.046 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.228 1.129 14.814 1.00 0.00 N ATOM 0 H LYS A 87 10.091 5.804 10.352 1.00 0.00 H new ATOM 0 HA LYS A 87 12.170 4.150 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.734 2.372 10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.327 3.808 11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.261 4.280 12.485 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.354 3.405 11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.225 1.881 12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.688 1.308 12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.999 2.828 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.494 3.110 14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.760 1.333 15.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.303 0.723 15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.760 0.449 14.234 1.00 0.00 H new ATOM 1357 N VAL A 88 8.898 4.095 9.166 1.00 0.00 N ATOM 1358 CA VAL A 88 7.705 3.622 8.473 1.00 0.00 C ATOM 1359 C VAL A 88 7.039 4.750 7.694 1.00 0.00 C ATOM 1360 O VAL A 88 7.256 5.928 7.977 1.00 0.00 O ATOM 1361 CB VAL A 88 6.685 3.021 9.458 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.441 2.552 8.719 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.312 1.879 10.243 1.00 0.00 C ATOM 0 H VAL A 88 8.719 4.803 9.878 1.00 0.00 H new ATOM 0 HA VAL A 88 8.029 2.847 7.779 1.00 0.00 H new ATOM 0 HB VAL A 88 6.388 3.796 10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.732 2.130 9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.982 3.397 8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.717 1.792 7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.577 1.466 10.934 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.640 1.101 9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.169 2.251 10.804 1.00 0.00 H new ATOM 1373 N VAL A 89 6.225 4.382 6.709 1.00 0.00 N ATOM 1374 CA VAL A 89 5.525 5.363 5.889 1.00 0.00 C ATOM 1375 C VAL A 89 4.027 5.078 5.850 1.00 0.00 C ATOM 1376 O VAL A 89 3.563 4.233 5.085 1.00 0.00 O ATOM 1377 CB VAL A 89 6.070 5.381 4.448 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.215 6.278 3.565 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.522 5.834 4.434 1.00 0.00 C ATOM 0 H VAL A 89 6.034 3.411 6.460 1.00 0.00 H new ATOM 0 HA VAL A 89 5.695 6.338 6.347 1.00 0.00 H new ATOM 0 HB VAL A 89 6.025 4.368 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.615 6.278 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.191 5.905 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.226 7.294 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.891 5.841 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.594 6.838 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.123 5.148 5.031 1.00 0.00 H new ATOM 1389 N THR A 90 3.274 5.791 6.682 1.00 0.00 N ATOM 1390 CA THR A 90 1.828 5.616 6.744 1.00 0.00 C ATOM 1391 C THR A 90 1.124 6.482 5.706 1.00 0.00 C ATOM 1392 O THR A 90 1.523 7.620 5.458 1.00 0.00 O ATOM 1393 CB THR A 90 1.280 5.961 8.141 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.700 7.276 8.521 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.758 4.953 9.175 1.00 0.00 C ATOM 0 H THR A 90 3.642 6.495 7.322 1.00 0.00 H new ATOM 0 HA THR A 90 1.628 4.566 6.532 1.00 0.00 H new ATOM 0 HB THR A 90 0.191 5.925 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.407 7.582 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.358 5.218 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.412 3.957 8.899 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.847 4.961 9.214 1.00 0.00 H new ATOM 1403 N VAL A 91 0.073 5.937 5.101 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.688 6.661 4.091 1.00 0.00 C ATOM 1405 C VAL A 91 -2.186 6.570 4.361 1.00 0.00 C ATOM 1406 O VAL A 91 -2.782 5.497 4.258 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.399 6.122 2.677 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.128 6.951 1.630 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.098 6.106 2.409 1.00 0.00 C ATOM 0 H VAL A 91 -0.270 4.996 5.293 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.375 7.704 4.146 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.767 5.098 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.912 6.555 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.202 6.906 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.794 7.987 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.284 5.722 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.493 7.119 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.592 5.465 3.140 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.789 7.703 4.707 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.219 7.751 4.991 1.00 0.00 C ATOM 1421 C HIS A 92 -5.026 7.875 3.702 1.00 0.00 C ATOM 1422 O HIS A 92 -4.777 8.763 2.885 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.536 8.924 5.920 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.927 9.457 5.758 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -7.025 8.647 5.559 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.395 10.727 5.769 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.108 9.395 5.453 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.753 10.661 5.577 1.00 0.00 N ATOM 0 H HIS A 92 -2.310 8.599 4.797 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.498 6.820 5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.395 8.607 6.953 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.824 9.728 5.733 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.810 11.625 5.904 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.113 9.033 5.292 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.385 11.460 5.537 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.991 6.980 3.526 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.834 6.989 2.335 1.00 0.00 C ATOM 1439 C LEU A 93 -8.296 7.222 2.704 1.00 0.00 C ATOM 1440 O LEU A 93 -8.898 6.427 3.424 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.693 5.668 1.577 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.370 5.455 0.840 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.221 4.002 0.418 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.280 6.375 -0.369 1.00 0.00 C ATOM 0 H LEU A 93 -6.210 6.239 4.192 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.505 7.807 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.827 4.850 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.505 5.599 0.853 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.554 5.699 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.274 3.870 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.240 3.363 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.042 3.730 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.332 6.210 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.103 6.162 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.340 7.413 -0.042 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.859 8.318 2.205 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.251 8.655 2.482 1.00 0.00 C ATOM 1458 C GLU A 94 -11.189 7.915 1.533 1.00 0.00 C ATOM 1459 O GLU A 94 -11.054 8.005 0.313 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.468 10.164 2.357 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.930 10.576 2.411 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.687 9.890 3.532 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -12.487 10.272 4.704 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.481 8.972 3.236 1.00 0.00 O ATOM 0 H GLU A 94 -8.373 8.987 1.608 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.477 8.346 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.928 10.668 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.037 10.508 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.995 11.656 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.406 10.341 1.459 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.139 7.182 2.103 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.102 6.426 1.310 1.00 0.00 C ATOM 1473 C LYS A 95 -14.238 7.324 0.832 1.00 0.00 C ATOM 1474 O LYS A 95 -15.070 7.763 1.627 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.666 5.263 2.129 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.699 4.102 2.283 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.382 2.882 2.879 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.377 1.936 3.517 1.00 0.00 C ATOM 1479 NZ LYS A 95 -13.044 0.772 4.164 1.00 0.00 N ATOM 0 H LYS A 95 -12.263 7.095 3.112 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.585 6.030 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.944 5.627 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.579 4.904 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.279 3.846 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.867 4.402 2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.109 3.200 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.934 2.356 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.681 1.580 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.790 2.477 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.660 0.640 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.067 0.947 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.871 -0.085 3.600 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.268 7.591 -0.469 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.304 8.434 -1.052 1.00 0.00 C ATOM 1495 C ILE A 96 -16.632 8.256 -0.323 1.00 0.00 C ATOM 1496 O ILE A 96 -17.319 9.229 -0.017 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.506 8.126 -2.547 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.291 8.587 -3.354 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.773 8.794 -3.059 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.964 10.053 -3.171 1.00 0.00 C ATOM 0 H ILE A 96 -13.587 7.236 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.969 9.466 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.612 7.048 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.425 7.991 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.472 8.393 -4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.902 8.567 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.632 8.421 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.694 9.873 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.092 10.309 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.814 10.658 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.751 10.250 -2.120 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.986 7.005 -0.047 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.231 6.698 0.647 1.00 0.00 C ATOM 1514 C ASN A 97 -17.955 6.020 1.986 1.00 0.00 C ATOM 1515 O ASN A 97 -17.346 4.951 2.039 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.115 5.800 -0.220 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.855 6.577 -1.291 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.963 7.064 -1.067 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -19.244 6.697 -2.464 1.00 0.00 N ATOM 0 H ASN A 97 -16.428 6.187 -0.293 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.753 7.636 0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.499 5.034 -0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.836 5.284 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.693 7.209 -3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.325 6.277 -2.606 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.408 6.648 3.065 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.213 6.106 4.405 1.00 0.00 C ATOM 1528 C LYS A 98 -19.071 4.863 4.619 1.00 0.00 C ATOM 1529 O LYS A 98 -18.770 4.030 5.473 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.553 7.161 5.459 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.836 8.484 5.249 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.390 8.413 5.710 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.647 9.707 5.415 1.00 0.00 C ATOM 1534 NZ LYS A 98 -14.551 9.953 6.394 1.00 0.00 N ATOM 0 H LYS A 98 -18.913 7.534 3.038 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.165 5.825 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.629 7.335 5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.299 6.772 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.870 8.754 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.355 9.271 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.358 8.210 6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.889 7.583 5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.232 9.666 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.348 10.541 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.638 10.916 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.617 9.263 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.632 9.852 5.918 1.00 0.00 H new ATOM 1548 N MET A 99 -20.139 4.745 3.837 1.00 0.00 N ATOM 1549 CA MET A 99 -21.039 3.602 3.940 1.00 0.00 C ATOM 1550 C MET A 99 -20.613 2.488 2.990 1.00 0.00 C ATOM 1551 O MET A 99 -21.447 1.730 2.496 1.00 0.00 O ATOM 1552 CB MET A 99 -22.476 4.028 3.635 1.00 0.00 C ATOM 1553 CG MET A 99 -23.067 4.964 4.676 1.00 0.00 C ATOM 1554 SD MET A 99 -23.752 4.084 6.093 1.00 0.00 S ATOM 1555 CE MET A 99 -22.649 4.627 7.395 1.00 0.00 C ATOM 0 H MET A 99 -20.402 5.427 3.125 1.00 0.00 H new ATOM 0 HA MET A 99 -20.990 3.223 4.961 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.502 4.518 2.662 1.00 0.00 H new ATOM 0 HB3 MET A 99 -23.102 3.139 3.561 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.295 5.653 5.020 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.849 5.567 4.215 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.944 4.167 8.338 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.628 4.334 7.152 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.703 5.712 7.488 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.311 2.395 2.738 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.777 1.373 1.846 1.00 0.00 C ATOM 1567 C GLU A 100 -17.561 0.690 2.466 1.00 0.00 C ATOM 1568 O GLU A 100 -16.768 1.324 3.162 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.397 1.990 0.498 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.880 0.978 -0.510 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.987 0.376 -1.353 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -20.141 0.338 -0.876 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.701 -0.057 -2.489 1.00 0.00 O ATOM 0 H GLU A 100 -18.607 3.015 3.139 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.552 0.623 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.268 2.494 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.635 2.752 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.153 1.460 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.356 0.181 0.017 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.423 -0.605 2.209 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.305 -1.375 2.742 1.00 0.00 C ATOM 1582 C TRP A 101 -15.293 -1.694 1.648 1.00 0.00 C ATOM 1583 O TRP A 101 -15.524 -1.407 0.473 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.809 -2.670 3.382 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.199 -2.509 4.820 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.467 -2.434 5.321 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.315 -2.403 5.941 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.425 -2.287 6.687 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.116 -2.266 7.091 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.925 -2.412 6.085 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.572 -2.139 8.366 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.386 -2.285 7.351 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.208 -2.151 8.478 1.00 0.00 C ATOM 0 H TRP A 101 -18.071 -1.144 1.635 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.811 -0.771 3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.668 -3.035 2.819 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.032 -3.431 3.307 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.370 -2.483 4.731 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.236 -2.207 7.300 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.284 -2.516 5.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.204 -2.035 9.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.313 -2.289 7.474 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.756 -2.055 9.454 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.172 -2.290 2.040 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.125 -2.648 1.090 1.00 0.00 C ATOM 1606 C TRP A 102 -12.752 -4.121 1.221 1.00 0.00 C ATOM 1607 O TRP A 102 -12.728 -4.669 2.322 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.888 -1.775 1.310 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.970 -0.446 0.623 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.051 0.388 0.577 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.930 0.202 -0.118 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.745 1.515 -0.147 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.450 1.425 -0.584 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.609 -0.131 -0.431 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.695 2.312 -1.346 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.862 0.750 -1.188 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.405 1.960 -1.638 1.00 0.00 C ATOM 0 H TRP A 102 -13.965 -2.535 3.008 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.508 -2.477 0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.750 -1.615 2.379 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -11.007 -2.308 0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -14.006 0.191 1.041 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.379 2.293 -0.329 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.180 -1.061 -0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.112 3.245 -1.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.841 0.501 -1.437 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.794 2.628 -2.227 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.463 -4.756 0.090 1.00 0.00 N ATOM 1629 CA ASN A 103 -12.092 -6.167 0.079 1.00 0.00 C ATOM 1630 C ASN A 103 -10.575 -6.330 0.098 1.00 0.00 C ATOM 1631 O ASN A 103 -10.060 -7.407 0.399 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.675 -6.859 -1.154 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.517 -8.367 -1.099 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -12.028 -8.915 -0.111 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -12.932 -9.044 -2.163 1.00 0.00 N ATOM 0 H ASN A 103 -12.478 -4.317 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.501 -6.632 0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.733 -6.610 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.183 -6.477 -2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.852 -10.061 -2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.331 -8.547 -2.960 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.865 -5.254 -0.224 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.407 -5.278 -0.244 1.00 0.00 C ATOM 1644 C ARG A 104 -7.845 -3.886 -0.519 1.00 0.00 C ATOM 1645 O ARG A 104 -8.561 -2.994 -0.975 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.907 -6.260 -1.305 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.448 -5.981 -2.697 1.00 0.00 C ATOM 1648 CD ARG A 104 -8.197 -7.150 -3.637 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.961 -7.029 -4.876 1.00 0.00 N ATOM 1650 CZ ARG A 104 -10.282 -7.148 -4.939 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -10.983 -7.388 -3.840 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -10.906 -7.026 -6.104 1.00 0.00 N ATOM 0 H ARG A 104 -10.275 -4.355 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.060 -5.605 0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.818 -6.226 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.187 -7.272 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.518 -5.782 -2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.978 -5.083 -3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.134 -7.206 -3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.463 -8.081 -3.137 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.452 -6.843 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.508 -7.482 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.998 -7.479 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.371 -6.841 -6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.921 -7.118 -6.151 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.558 -3.708 -0.238 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.899 -2.425 -0.454 1.00 0.00 C ATOM 1668 C LEU A 105 -5.744 -2.136 -1.944 1.00 0.00 C ATOM 1669 O LEU A 105 -6.128 -1.069 -2.423 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.528 -2.414 0.224 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.660 -1.182 -0.037 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.273 0.050 0.610 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.245 -1.408 0.476 1.00 0.00 C ATOM 0 H LEU A 105 -5.951 -4.436 0.140 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.522 -1.646 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.676 -2.508 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.977 -3.297 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.613 -1.016 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.642 0.916 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.266 0.223 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.352 -0.105 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.642 -0.521 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.273 -1.600 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.805 -2.265 -0.035 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.182 -3.095 -2.672 1.00 0.00 N ATOM 1686 CA VAL A 106 -4.980 -2.945 -4.108 1.00 0.00 C ATOM 1687 C VAL A 106 -5.332 -4.230 -4.850 1.00 0.00 C ATOM 1688 O VAL A 106 -5.136 -5.332 -4.335 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.525 -2.560 -4.433 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.264 -1.106 -4.073 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.556 -3.481 -3.707 1.00 0.00 C ATOM 0 H VAL A 106 -4.858 -3.984 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.642 -2.145 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.367 -2.677 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.231 -0.852 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.935 -0.464 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.439 -0.958 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.532 -3.195 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.712 -3.399 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.728 -4.511 -4.021 1.00 0.00 H new ATOM 1701 N THR A 107 -5.853 -4.083 -6.064 1.00 0.00 N ATOM 1702 CA THR A 107 -6.234 -5.231 -6.877 1.00 0.00 C ATOM 1703 C THR A 107 -5.169 -6.320 -6.822 1.00 0.00 C ATOM 1704 O THR A 107 -5.484 -7.506 -6.718 1.00 0.00 O ATOM 1705 CB THR A 107 -6.465 -4.828 -8.345 1.00 0.00 C ATOM 1706 OG1 THR A 107 -5.358 -4.054 -8.821 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.750 -4.027 -8.491 1.00 0.00 C ATOM 0 H THR A 107 -6.021 -3.179 -6.506 1.00 0.00 H new ATOM 0 HA THR A 107 -7.166 -5.616 -6.463 1.00 0.00 H new ATOM 0 HB THR A 107 -6.553 -5.738 -8.938 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.512 -3.803 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.892 -3.754 -9.537 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.594 -4.629 -8.156 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.686 -3.123 -7.885 1.00 0.00 H new ATOM 1715 N SER A 108 -3.906 -5.911 -6.893 1.00 0.00 N ATOM 1716 CA SER A 108 -2.794 -6.853 -6.855 1.00 0.00 C ATOM 1717 C SER A 108 -2.807 -7.657 -5.558 1.00 0.00 C ATOM 1718 O SER A 108 -2.463 -8.839 -5.543 1.00 0.00 O ATOM 1719 CB SER A 108 -1.464 -6.110 -6.994 1.00 0.00 C ATOM 1720 OG SER A 108 -1.111 -5.948 -8.357 1.00 0.00 O ATOM 0 H SER A 108 -3.628 -4.933 -6.977 1.00 0.00 H new ATOM 0 HA SER A 108 -2.906 -7.543 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.538 -5.133 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.680 -6.661 -6.475 1.00 0.00 H new ATOM 0 HG SER A 108 -0.258 -5.469 -8.419 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.206 -7.006 -4.470 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.265 -7.659 -3.168 1.00 0.00 C ATOM 1728 C ASP A 109 -4.394 -8.684 -3.124 1.00 0.00 C ATOM 1729 O ASP A 109 -5.334 -8.643 -3.920 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.460 -6.621 -2.062 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.148 -6.029 -1.585 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.325 -5.646 -2.443 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -1.943 -5.951 -0.356 1.00 0.00 O ATOM 0 H ASP A 109 -3.493 -6.027 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.320 -8.178 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.104 -5.821 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.974 -7.084 -1.220 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.302 -9.627 -2.175 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.307 -10.681 -2.006 1.00 0.00 C ATOM 1740 C PRO A 110 -6.631 -10.140 -1.478 1.00 0.00 C ATOM 1741 O PRO A 110 -6.737 -8.964 -1.131 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.666 -11.620 -0.981 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.722 -10.759 -0.216 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.210 -9.736 -1.193 1.00 0.00 C ATOM 0 HA PRO A 110 -5.554 -11.164 -2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.417 -12.063 -0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.144 -12.443 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.225 -10.279 0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.903 -11.348 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.010 -8.781 -0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.279 -10.057 -1.661 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.638 -11.006 -1.420 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.956 -10.613 -0.934 1.00 0.00 C ATOM 1754 C GLU A 111 -9.180 -11.108 0.492 1.00 0.00 C ATOM 1755 O GLU A 111 -8.584 -12.098 0.917 1.00 0.00 O ATOM 1756 CB GLU A 111 -10.048 -11.163 -1.854 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.827 -10.837 -3.322 1.00 0.00 C ATOM 1758 CD GLU A 111 -10.625 -11.738 -4.245 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -11.831 -11.477 -4.433 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -10.042 -12.704 -4.780 1.00 0.00 O ATOM 0 H GLU A 111 -7.567 -11.983 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.005 -9.524 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.101 -12.245 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.012 -10.760 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.103 -9.799 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.767 -10.931 -3.556 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.043 -10.413 1.225 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.346 -10.782 2.602 1.00 0.00 C ATOM 1769 C ILE A 112 -11.852 -10.817 2.842 1.00 0.00 C ATOM 1770 O ILE A 112 -12.587 -9.952 2.369 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.701 -9.804 3.602 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -10.023 -8.359 3.216 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.196 -10.020 3.657 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.928 -7.389 4.373 1.00 0.00 C ATOM 0 H ILE A 112 -10.545 -9.591 0.888 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.931 -11.777 2.761 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.113 -9.996 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.340 -8.041 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -11.030 -8.318 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.754 -9.322 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.986 -11.042 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.768 -9.851 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -10.169 -6.384 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.631 -7.682 5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.915 -7.401 4.775 1.00 0.00 H new