USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 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 70 ASN : amide:sc= -0.165 K(o=-0.085,f=-1.2) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.0804 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 173:sc= 0.807 (180deg=-0.295) USER MOD Set 2.2: A 49 SER OG : rot 84:sc= 1.17 USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 28 THR OG1 : rot 4:sc= 0.352 USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0.362 USER MOD Set 4.2: A 34 THR OG1 : rot -101:sc= 0.39 USER MOD Single : A 13 GLN : amide:sc= -3.61! C(o=-3.6!,f=-6.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.0986 (180deg=-0.408) USER MOD Single : A 17 GLN : amide:sc= 0.0536 X(o=0.054,f=0) USER MOD Single : A 22 THR OG1 : rot -76:sc= 0.567 USER MOD Single : A 33 HIS : no HE2:sc= 0.548 K(o=0.55,f=-1.8!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.94! USER MOD Single : A 40 ASN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 41 MET CE :methyl 156:sc= -0.226 (180deg=-0.822) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 94:sc= 0.397 USER MOD Single : A 58 THR OG1 : rot 104:sc= 0.345 USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00744 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= -0.0429 (180deg=-0.225) USER MOD Single : A 73 SER OG : rot 43:sc= -0.918 USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.0444) USER MOD Single : A 78 SER OG : rot 170:sc= 0.281 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 88 ASN : amide:sc= 0.418 K(o=0.42,f=-8.1!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 106 CYS SG : rot 2:sc= -5.24! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.397 -15.343 6.806 1.00 0.00 N ATOM 85 CA LEU A 6 11.190 -14.383 5.727 1.00 0.00 C ATOM 86 C LEU A 6 12.441 -14.290 4.851 1.00 0.00 C ATOM 87 O LEU A 6 13.515 -13.911 5.338 1.00 0.00 O ATOM 88 CB LEU A 6 10.848 -13.024 6.373 1.00 0.00 C ATOM 89 CG LEU A 6 9.729 -13.076 7.464 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.544 -11.711 8.128 1.00 0.00 C ATOM 91 CD2 LEU A 6 8.399 -13.626 6.895 1.00 0.00 C ATOM 0 HA LEU A 6 10.372 -14.697 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.753 -12.613 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.539 -12.333 5.589 1.00 0.00 H new ATOM 0 HG LEU A 6 10.053 -13.774 8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.760 -11.777 8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.478 -11.407 8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.262 -10.975 7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.647 -13.647 7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.057 -12.983 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.555 -14.636 6.516 1.00 0.00 H new ATOM 103 N ARG A 7 12.292 -14.652 3.564 1.00 0.00 N ATOM 104 CA ARG A 7 13.427 -14.829 2.625 1.00 0.00 C ATOM 105 C ARG A 7 13.390 -13.816 1.457 1.00 0.00 C ATOM 106 O ARG A 7 14.265 -13.836 0.582 1.00 0.00 O ATOM 107 CB ARG A 7 13.419 -16.288 2.088 1.00 0.00 C ATOM 108 CG ARG A 7 13.491 -17.370 3.189 1.00 0.00 C ATOM 109 CD ARG A 7 13.312 -18.795 2.639 1.00 0.00 C ATOM 110 NE ARG A 7 12.032 -18.949 1.911 1.00 0.00 N ATOM 111 CZ ARG A 7 10.969 -19.650 2.336 1.00 0.00 C ATOM 112 NH1 ARG A 7 10.979 -20.274 3.504 1.00 0.00 N ATOM 113 NH2 ARG A 7 9.888 -19.714 1.580 1.00 0.00 N ATOM 0 H ARG A 7 11.382 -14.832 3.140 1.00 0.00 H new ATOM 0 HA ARG A 7 14.352 -14.638 3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.513 -16.442 1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.263 -16.418 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.452 -17.300 3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.721 -17.174 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.140 -19.033 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.350 -19.509 3.462 1.00 0.00 H new ATOM 0 HE ARG A 7 11.951 -18.482 1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.805 -20.227 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.160 -20.801 3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.865 -19.233 0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.076 -20.244 1.895 1.00 0.00 H new ATOM 127 N ASP A 8 12.397 -12.922 1.466 1.00 0.00 N ATOM 128 CA ASP A 8 12.225 -11.833 0.473 1.00 0.00 C ATOM 129 C ASP A 8 12.414 -10.477 1.171 1.00 0.00 C ATOM 130 O ASP A 8 12.815 -10.417 2.342 1.00 0.00 O ATOM 131 CB ASP A 8 10.799 -11.876 -0.167 1.00 0.00 C ATOM 132 CG ASP A 8 10.484 -13.201 -0.862 1.00 0.00 C ATOM 133 OD1 ASP A 8 11.133 -13.513 -1.884 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.595 -13.941 -0.390 1.00 0.00 O ATOM 0 H ASP A 8 11.667 -12.927 2.178 1.00 0.00 H new ATOM 0 HA ASP A 8 12.967 -11.966 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.055 -11.696 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.709 -11.065 -0.890 1.00 0.00 H new ATOM 139 N ARG A 9 12.135 -9.391 0.430 1.00 0.00 N ATOM 140 CA ARG A 9 12.085 -8.020 0.960 1.00 0.00 C ATOM 141 C ARG A 9 10.922 -7.271 0.310 1.00 0.00 C ATOM 142 O ARG A 9 10.520 -7.592 -0.816 1.00 0.00 O ATOM 143 CB ARG A 9 13.369 -7.214 0.656 1.00 0.00 C ATOM 144 CG ARG A 9 14.685 -7.825 1.146 1.00 0.00 C ATOM 145 CD ARG A 9 15.888 -6.935 0.807 1.00 0.00 C ATOM 146 NE ARG A 9 15.965 -6.615 -0.641 1.00 0.00 N ATOM 147 CZ ARG A 9 17.067 -6.227 -1.300 1.00 0.00 C ATOM 148 NH1 ARG A 9 18.244 -6.191 -0.695 1.00 0.00 N ATOM 149 NH2 ARG A 9 16.974 -5.895 -2.582 1.00 0.00 N ATOM 0 H ARG A 9 11.935 -9.443 -0.569 1.00 0.00 H new ATOM 0 HA ARG A 9 11.971 -8.107 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.438 -7.074 -0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.265 -6.224 1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.637 -7.975 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.821 -8.807 0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.824 -6.009 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.806 -7.436 1.115 1.00 0.00 H new ATOM 0 HE ARG A 9 15.104 -6.697 -1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.322 -6.461 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.073 -5.894 -1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.071 -5.936 -3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.805 -5.598 -3.094 1.00 0.00 H new ATOM 163 N ILE A 10 10.430 -6.230 0.999 1.00 0.00 N ATOM 164 CA ILE A 10 9.412 -5.304 0.454 1.00 0.00 C ATOM 165 C ILE A 10 9.800 -3.858 0.829 1.00 0.00 C ATOM 166 O ILE A 10 10.237 -3.595 1.959 1.00 0.00 O ATOM 167 CB ILE A 10 7.914 -5.612 0.913 1.00 0.00 C ATOM 168 CG1 ILE A 10 7.589 -5.177 2.385 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.528 -7.091 0.677 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.443 -5.776 3.480 1.00 0.00 C ATOM 0 H ILE A 10 10.723 -6.002 1.949 1.00 0.00 H new ATOM 0 HA ILE A 10 9.411 -5.446 -0.627 1.00 0.00 H new ATOM 0 HB ILE A 10 7.294 -4.986 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.673 -4.092 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.548 -5.428 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.501 -7.256 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.613 -7.324 -0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.197 -7.737 1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.115 -5.394 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.344 -6.861 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.486 -5.505 3.317 1.00 0.00 H new ATOM 182 N THR A 11 9.695 -2.960 -0.142 1.00 0.00 N ATOM 183 CA THR A 11 9.883 -1.527 0.046 1.00 0.00 C ATOM 184 C THR A 11 8.538 -0.871 0.401 1.00 0.00 C ATOM 185 O THR A 11 7.604 -0.849 -0.408 1.00 0.00 O ATOM 186 CB THR A 11 10.484 -0.890 -1.237 1.00 0.00 C ATOM 187 OG1 THR A 11 11.718 -1.546 -1.534 1.00 0.00 O ATOM 188 CG2 THR A 11 10.737 0.614 -1.080 1.00 0.00 C ATOM 0 H THR A 11 9.472 -3.213 -1.104 1.00 0.00 H new ATOM 0 HA THR A 11 10.581 -1.361 0.866 1.00 0.00 H new ATOM 0 HB THR A 11 9.764 -1.015 -2.045 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.109 -1.156 -2.343 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.157 1.011 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.797 1.120 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.437 0.782 -0.262 1.00 0.00 H new ATOM 196 N ILE A 12 8.472 -0.371 1.631 1.00 0.00 N ATOM 197 CA ILE A 12 7.303 0.298 2.199 1.00 0.00 C ATOM 198 C ILE A 12 7.156 1.697 1.595 1.00 0.00 C ATOM 199 O ILE A 12 7.946 2.587 1.891 1.00 0.00 O ATOM 200 CB ILE A 12 7.461 0.343 3.771 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.455 -1.120 4.321 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.417 1.246 4.488 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.194 -1.917 4.040 1.00 0.00 C ATOM 0 H ILE A 12 9.255 -0.421 2.282 1.00 0.00 H new ATOM 0 HA ILE A 12 6.392 -0.251 1.959 1.00 0.00 H new ATOM 0 HB ILE A 12 8.417 0.817 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.304 -1.654 3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.609 -1.085 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.593 1.223 5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.512 2.270 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.413 0.879 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.293 -2.916 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.338 -1.415 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.044 -1.993 2.963 1.00 0.00 H new ATOM 215 N GLN A 13 6.175 1.856 0.688 1.00 0.00 N ATOM 216 CA GLN A 13 5.831 3.159 0.119 1.00 0.00 C ATOM 217 C GLN A 13 5.117 3.995 1.161 1.00 0.00 C ATOM 218 O GLN A 13 3.938 3.792 1.454 1.00 0.00 O ATOM 219 CB GLN A 13 4.985 3.043 -1.175 1.00 0.00 C ATOM 220 CG GLN A 13 5.804 2.660 -2.415 1.00 0.00 C ATOM 221 CD GLN A 13 5.010 2.699 -3.718 1.00 0.00 C ATOM 222 OE1 GLN A 13 4.026 3.429 -3.855 1.00 0.00 O ATOM 223 NE2 GLN A 13 5.498 1.994 -4.717 1.00 0.00 N ATOM 0 H GLN A 13 5.606 1.087 0.335 1.00 0.00 H new ATOM 0 HA GLN A 13 6.760 3.651 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.204 2.298 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.487 3.995 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.655 3.336 -2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.207 1.657 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.314 1.399 -4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.060 2.043 -5.637 1.00 0.00 H new ATOM 232 N THR A 14 5.884 4.913 1.719 1.00 0.00 N ATOM 233 CA THR A 14 5.427 5.819 2.740 1.00 0.00 C ATOM 234 C THR A 14 4.719 6.997 2.057 1.00 0.00 C ATOM 235 O THR A 14 5.235 7.542 1.061 1.00 0.00 O ATOM 236 CB THR A 14 6.627 6.306 3.603 1.00 0.00 C ATOM 237 OG1 THR A 14 7.489 5.187 3.893 1.00 0.00 O ATOM 238 CG2 THR A 14 6.152 6.915 4.923 1.00 0.00 C ATOM 0 H THR A 14 6.863 5.047 1.465 1.00 0.00 H new ATOM 0 HA THR A 14 4.728 5.316 3.408 1.00 0.00 H new ATOM 0 HB THR A 14 7.162 7.070 3.039 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.247 5.490 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.014 7.245 5.502 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.504 7.767 4.718 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.598 6.167 5.491 1.00 0.00 H new ATOM 246 N LEU A 15 3.533 7.378 2.566 1.00 0.00 N ATOM 247 CA LEU A 15 2.747 8.466 1.991 1.00 0.00 C ATOM 248 C LEU A 15 3.298 9.786 2.519 1.00 0.00 C ATOM 249 O LEU A 15 3.001 10.197 3.653 1.00 0.00 O ATOM 250 CB LEU A 15 1.247 8.324 2.345 1.00 0.00 C ATOM 251 CG LEU A 15 0.309 9.423 1.757 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.350 9.446 0.213 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.124 9.259 2.290 1.00 0.00 C ATOM 0 H LEU A 15 3.102 6.940 3.380 1.00 0.00 H new ATOM 0 HA LEU A 15 2.825 8.434 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.900 7.351 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.146 8.328 3.430 1.00 0.00 H new ATOM 0 HG LEU A 15 0.679 10.392 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.317 10.225 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.367 9.650 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.028 8.479 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.761 10.036 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.508 8.280 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.120 9.345 3.377 1.00 0.00 H new ATOM 265 N LYS A 16 4.163 10.409 1.715 1.00 0.00 N ATOM 266 CA LYS A 16 4.780 11.684 2.051 1.00 0.00 C ATOM 267 C LYS A 16 3.777 12.790 1.728 1.00 0.00 C ATOM 268 O LYS A 16 3.546 13.139 0.561 1.00 0.00 O ATOM 269 CB LYS A 16 6.119 11.849 1.288 1.00 0.00 C ATOM 270 CG LYS A 16 7.071 12.968 1.807 1.00 0.00 C ATOM 271 CD LYS A 16 6.733 14.375 1.272 1.00 0.00 C ATOM 272 CE LYS A 16 7.788 15.419 1.669 1.00 0.00 C ATOM 273 NZ LYS A 16 9.150 15.033 1.197 1.00 0.00 N ATOM 0 H LYS A 16 4.453 10.038 0.810 1.00 0.00 H new ATOM 0 HA LYS A 16 5.026 11.735 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.654 10.900 1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.894 12.048 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.035 12.986 2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.095 12.720 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.652 14.338 0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.759 14.682 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.518 16.388 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.797 15.533 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.769 15.868 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.543 14.306 1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.088 14.655 0.230 1.00 0.00 H new ATOM 287 N GLN A 17 3.152 13.282 2.784 1.00 0.00 N ATOM 288 CA GLN A 17 2.130 14.315 2.722 1.00 0.00 C ATOM 289 C GLN A 17 2.828 15.678 2.624 1.00 0.00 C ATOM 290 O GLN A 17 3.358 16.192 3.613 1.00 0.00 O ATOM 291 CB GLN A 17 1.229 14.199 3.985 1.00 0.00 C ATOM 292 CG GLN A 17 0.615 12.797 4.184 1.00 0.00 C ATOM 293 CD GLN A 17 -0.157 12.661 5.497 1.00 0.00 C ATOM 294 OE1 GLN A 17 0.411 12.310 6.532 1.00 0.00 O ATOM 295 NE2 GLN A 17 -1.449 12.946 5.469 1.00 0.00 N ATOM 0 H GLN A 17 3.346 12.966 3.734 1.00 0.00 H new ATOM 0 HA GLN A 17 1.490 14.201 1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.818 14.456 4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.425 14.931 3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.054 12.579 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.410 12.052 4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.889 13.234 4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.005 12.878 6.321 1.00 0.00 H new ATOM 304 N THR A 18 2.880 16.221 1.400 1.00 0.00 N ATOM 305 CA THR A 18 3.554 17.489 1.093 1.00 0.00 C ATOM 306 C THR A 18 2.499 18.614 1.208 1.00 0.00 C ATOM 307 O THR A 18 1.339 18.335 1.543 1.00 0.00 O ATOM 308 CB THR A 18 4.191 17.430 -0.349 1.00 0.00 C ATOM 309 OG1 THR A 18 4.722 16.112 -0.611 1.00 0.00 O ATOM 310 CG2 THR A 18 5.320 18.467 -0.541 1.00 0.00 C ATOM 0 H THR A 18 2.449 15.785 0.585 1.00 0.00 H new ATOM 0 HA THR A 18 4.369 17.681 1.790 1.00 0.00 H new ATOM 0 HB THR A 18 3.390 17.665 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.112 16.089 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.723 18.383 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.922 19.471 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.113 18.280 0.183 1.00 0.00 H new ATOM 318 N ARG A 19 2.880 19.872 0.993 1.00 0.00 N ATOM 319 CA ARG A 19 1.928 20.989 0.971 1.00 0.00 C ATOM 320 C ARG A 19 2.155 21.833 -0.302 1.00 0.00 C ATOM 321 O ARG A 19 3.178 21.699 -0.971 1.00 0.00 O ATOM 322 CB ARG A 19 2.094 21.847 2.253 1.00 0.00 C ATOM 323 CG ARG A 19 0.876 22.744 2.607 1.00 0.00 C ATOM 324 CD ARG A 19 1.236 23.898 3.545 1.00 0.00 C ATOM 325 NE ARG A 19 2.189 24.811 2.880 1.00 0.00 N ATOM 326 CZ ARG A 19 2.154 26.143 2.897 1.00 0.00 C ATOM 327 NH1 ARG A 19 1.250 26.791 3.616 1.00 0.00 N ATOM 328 NH2 ARG A 19 3.038 26.814 2.181 1.00 0.00 N ATOM 0 H ARG A 19 3.848 20.148 0.830 1.00 0.00 H new ATOM 0 HA ARG A 19 0.908 20.606 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.292 21.182 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.972 22.483 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.451 23.149 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.104 22.132 3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.335 24.442 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.674 23.508 4.464 1.00 0.00 H new ATOM 0 HE ARG A 19 2.949 24.378 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.568 26.270 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.236 27.811 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.732 26.312 1.627 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.026 27.834 2.182 1.00 0.00 H new ATOM 342 N ASP A 20 1.179 22.689 -0.622 1.00 0.00 N ATOM 343 CA ASP A 20 1.250 23.648 -1.751 1.00 0.00 C ATOM 344 C ASP A 20 1.443 25.062 -1.186 1.00 0.00 C ATOM 345 O ASP A 20 1.143 25.290 -0.008 1.00 0.00 O ATOM 346 CB ASP A 20 -0.067 23.591 -2.561 1.00 0.00 C ATOM 347 CG ASP A 20 -0.040 24.360 -3.896 1.00 0.00 C ATOM 348 OD1 ASP A 20 0.394 23.785 -4.917 1.00 0.00 O ATOM 349 OD2 ASP A 20 -0.444 25.542 -3.932 1.00 0.00 O ATOM 0 H ASP A 20 0.303 22.743 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 20 2.084 23.392 -2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.307 22.547 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.873 23.989 -1.945 1.00 0.00 H new ATOM 354 N ILE A 21 1.931 26.001 -2.018 1.00 0.00 N ATOM 355 CA ILE A 21 2.042 27.437 -1.665 1.00 0.00 C ATOM 356 C ILE A 21 0.695 28.083 -1.209 1.00 0.00 C ATOM 357 O ILE A 21 0.702 29.136 -0.560 1.00 0.00 O ATOM 358 CB ILE A 21 2.666 28.246 -2.875 1.00 0.00 C ATOM 359 CG1 ILE A 21 3.048 29.712 -2.464 1.00 0.00 C ATOM 360 CG2 ILE A 21 1.721 28.232 -4.102 1.00 0.00 C ATOM 361 CD1 ILE A 21 3.722 30.541 -3.551 1.00 0.00 C ATOM 0 H ILE A 21 2.262 25.788 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 21 2.703 27.490 -0.800 1.00 0.00 H new ATOM 0 HB ILE A 21 3.590 27.743 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.143 30.229 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.712 29.668 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.175 28.795 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.554 27.203 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.768 28.688 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.944 31.536 -3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.649 30.055 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.056 30.625 -4.410 1.00 0.00 H new ATOM 373 N THR A 22 -0.454 27.429 -1.481 1.00 0.00 N ATOM 374 CA THR A 22 -1.785 27.969 -1.126 1.00 0.00 C ATOM 375 C THR A 22 -2.284 27.323 0.193 1.00 0.00 C ATOM 376 O THR A 22 -3.350 27.670 0.702 1.00 0.00 O ATOM 377 CB THR A 22 -2.810 27.698 -2.270 1.00 0.00 C ATOM 378 OG1 THR A 22 -2.924 26.280 -2.494 1.00 0.00 O ATOM 379 CG2 THR A 22 -2.403 28.396 -3.582 1.00 0.00 C ATOM 0 H THR A 22 -0.487 26.522 -1.947 1.00 0.00 H new ATOM 0 HA THR A 22 -1.696 29.046 -0.987 1.00 0.00 H new ATOM 0 HB THR A 22 -3.771 28.106 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.139 25.962 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.143 28.182 -4.353 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.349 29.473 -3.420 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.428 28.028 -3.903 1.00 0.00 H new ATOM 387 N GLY A 23 -1.480 26.382 0.723 1.00 0.00 N ATOM 388 CA GLY A 23 -1.753 25.715 1.990 1.00 0.00 C ATOM 389 C GLY A 23 -2.739 24.569 1.867 1.00 0.00 C ATOM 390 O GLY A 23 -3.742 24.530 2.586 1.00 0.00 O ATOM 0 H GLY A 23 -0.620 26.068 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.817 25.337 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.142 26.445 2.700 1.00 0.00 H new ATOM 394 N GLU A 24 -2.447 23.628 0.962 1.00 0.00 N ATOM 395 CA GLU A 24 -3.238 22.390 0.791 1.00 0.00 C ATOM 396 C GLU A 24 -2.279 21.179 0.777 1.00 0.00 C ATOM 397 O GLU A 24 -1.173 21.271 0.234 1.00 0.00 O ATOM 398 CB GLU A 24 -4.085 22.445 -0.511 1.00 0.00 C ATOM 399 CG GLU A 24 -3.261 22.538 -1.802 1.00 0.00 C ATOM 400 CD GLU A 24 -4.097 22.538 -3.086 1.00 0.00 C ATOM 401 OE1 GLU A 24 -4.712 21.494 -3.400 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.126 23.563 -3.798 1.00 0.00 O ATOM 0 H GLU A 24 -1.655 23.698 0.323 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.934 22.289 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.713 21.555 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.753 23.304 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.663 23.449 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.565 21.700 -1.836 1.00 0.00 H new ATOM 409 N ILE A 25 -2.696 20.056 1.382 1.00 0.00 N ATOM 410 CA ILE A 25 -1.841 18.861 1.532 1.00 0.00 C ATOM 411 C ILE A 25 -1.780 18.051 0.209 1.00 0.00 C ATOM 412 O ILE A 25 -2.772 17.442 -0.204 1.00 0.00 O ATOM 413 CB ILE A 25 -2.343 17.944 2.716 1.00 0.00 C ATOM 414 CG1 ILE A 25 -2.416 18.744 4.058 1.00 0.00 C ATOM 415 CG2 ILE A 25 -1.450 16.689 2.879 1.00 0.00 C ATOM 416 CD1 ILE A 25 -1.088 19.290 4.551 1.00 0.00 C ATOM 0 H ILE A 25 -3.629 19.947 1.780 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.835 19.205 1.772 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.349 17.610 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.109 19.576 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.834 18.096 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.824 16.081 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.471 16.106 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.426 16.996 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.241 19.829 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.394 18.466 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.674 19.968 3.805 1.00 0.00 H new ATOM 428 N LEU A 26 -0.605 18.067 -0.452 1.00 0.00 N ATOM 429 CA LEU A 26 -0.360 17.332 -1.704 1.00 0.00 C ATOM 430 C LEU A 26 0.314 15.994 -1.366 1.00 0.00 C ATOM 431 O LEU A 26 1.534 15.920 -1.229 1.00 0.00 O ATOM 432 CB LEU A 26 0.539 18.174 -2.652 1.00 0.00 C ATOM 433 CG LEU A 26 -0.001 19.591 -3.037 1.00 0.00 C ATOM 434 CD1 LEU A 26 1.035 20.352 -3.891 1.00 0.00 C ATOM 435 CD2 LEU A 26 -1.376 19.503 -3.749 1.00 0.00 C ATOM 0 H LEU A 26 0.205 18.595 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.304 17.144 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.515 18.295 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.696 17.606 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.157 20.154 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.642 21.335 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.959 20.468 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.237 19.791 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.720 20.506 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.277 18.913 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.099 19.028 -3.086 1.00 0.00 H new ATOM 447 N GLU A 27 -0.497 14.946 -1.203 1.00 0.00 N ATOM 448 CA GLU A 27 -0.019 13.624 -0.751 1.00 0.00 C ATOM 449 C GLU A 27 0.589 12.846 -1.928 1.00 0.00 C ATOM 450 O GLU A 27 -0.023 12.758 -2.997 1.00 0.00 O ATOM 451 CB GLU A 27 -1.191 12.851 -0.108 1.00 0.00 C ATOM 452 CG GLU A 27 -1.768 13.557 1.129 1.00 0.00 C ATOM 453 CD GLU A 27 -3.002 12.870 1.729 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.097 12.961 1.126 1.00 0.00 O ATOM 455 OE2 GLU A 27 -2.891 12.251 2.808 1.00 0.00 O ATOM 0 H GLU A 27 -1.501 14.983 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 27 0.764 13.751 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.982 12.720 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.851 11.855 0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.993 13.618 1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.031 14.580 0.860 1.00 0.00 H new ATOM 462 N THR A 28 1.791 12.285 -1.710 1.00 0.00 N ATOM 463 CA THR A 28 2.603 11.623 -2.753 1.00 0.00 C ATOM 464 C THR A 28 3.242 10.344 -2.193 1.00 0.00 C ATOM 465 O THR A 28 3.394 10.201 -0.975 1.00 0.00 O ATOM 466 CB THR A 28 3.720 12.586 -3.306 1.00 0.00 C ATOM 467 OG1 THR A 28 4.370 13.276 -2.220 1.00 0.00 O ATOM 468 CG2 THR A 28 3.152 13.607 -4.316 1.00 0.00 C ATOM 0 H THR A 28 2.235 12.277 -0.792 1.00 0.00 H new ATOM 0 HA THR A 28 1.941 11.363 -3.579 1.00 0.00 H new ATOM 0 HB THR A 28 4.450 11.970 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.013 12.952 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.955 14.252 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.710 13.077 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.389 14.214 -3.829 1.00 0.00 H new ATOM 476 N TRP A 29 3.647 9.434 -3.089 1.00 0.00 N ATOM 477 CA TRP A 29 4.154 8.105 -2.716 1.00 0.00 C ATOM 478 C TRP A 29 5.644 8.010 -3.033 1.00 0.00 C ATOM 479 O TRP A 29 6.056 8.171 -4.188 1.00 0.00 O ATOM 480 CB TRP A 29 3.376 7.003 -3.467 1.00 0.00 C ATOM 481 CG TRP A 29 1.922 6.933 -3.083 1.00 0.00 C ATOM 482 CD1 TRP A 29 0.847 7.404 -3.786 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.394 6.373 -1.875 1.00 0.00 C ATOM 484 NE1 TRP A 29 -0.310 7.142 -3.103 1.00 0.00 N ATOM 485 CE2 TRP A 29 -0.002 6.508 -1.930 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.970 5.751 -0.760 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.835 6.053 -0.913 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.142 5.303 0.249 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.248 5.449 0.162 1.00 0.00 C ATOM 0 H TRP A 29 3.633 9.598 -4.096 1.00 0.00 H new ATOM 0 HA TRP A 29 4.010 7.961 -1.645 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.453 7.180 -4.540 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.844 6.039 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.903 7.908 -4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -1.250 7.381 -3.418 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.040 5.625 -0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.907 6.173 -0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.573 4.832 1.120 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.869 5.076 0.963 1.00 0.00 H new ATOM 500 N GLU A 30 6.435 7.755 -1.992 1.00 0.00 N ATOM 501 CA GLU A 30 7.889 7.558 -2.105 1.00 0.00 C ATOM 502 C GLU A 30 8.312 6.263 -1.424 1.00 0.00 C ATOM 503 O GLU A 30 7.557 5.696 -0.633 1.00 0.00 O ATOM 504 CB GLU A 30 8.664 8.766 -1.522 1.00 0.00 C ATOM 505 CG GLU A 30 8.361 9.102 -0.049 1.00 0.00 C ATOM 506 CD GLU A 30 9.222 10.251 0.508 1.00 0.00 C ATOM 507 OE1 GLU A 30 9.325 11.313 -0.157 1.00 0.00 O ATOM 508 OE2 GLU A 30 9.773 10.114 1.624 1.00 0.00 O ATOM 0 H GLU A 30 6.087 7.678 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 30 8.136 7.483 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.732 8.571 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.443 9.644 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.308 9.368 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.520 8.211 0.559 1.00 0.00 H new ATOM 515 N ASP A 31 9.537 5.819 -1.745 1.00 0.00 N ATOM 516 CA ASP A 31 10.135 4.605 -1.160 1.00 0.00 C ATOM 517 C ASP A 31 10.533 4.901 0.298 1.00 0.00 C ATOM 518 O ASP A 31 11.030 5.996 0.598 1.00 0.00 O ATOM 519 CB ASP A 31 11.358 4.111 -2.001 1.00 0.00 C ATOM 520 CG ASP A 31 12.594 5.031 -1.964 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.615 6.042 -2.695 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.548 4.744 -1.202 1.00 0.00 O ATOM 0 H ASP A 31 10.142 6.290 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 31 9.403 3.798 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.649 3.123 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.042 3.995 -3.038 1.00 0.00 H new ATOM 527 N GLY A 32 10.282 3.946 1.200 1.00 0.00 N ATOM 528 CA GLY A 32 10.491 4.137 2.639 1.00 0.00 C ATOM 529 C GLY A 32 11.534 3.190 3.191 1.00 0.00 C ATOM 530 O GLY A 32 12.732 3.362 2.940 1.00 0.00 O ATOM 0 H GLY A 32 9.929 3.021 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.799 5.165 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.549 3.985 3.165 1.00 0.00 H new ATOM 534 N HIS A 33 11.076 2.190 3.955 1.00 0.00 N ATOM 535 CA HIS A 33 11.942 1.209 4.630 1.00 0.00 C ATOM 536 C HIS A 33 11.774 -0.160 3.954 1.00 0.00 C ATOM 537 O HIS A 33 10.646 -0.613 3.762 1.00 0.00 O ATOM 538 CB HIS A 33 11.558 1.125 6.127 1.00 0.00 C ATOM 539 CG HIS A 33 11.447 2.473 6.799 1.00 0.00 C ATOM 540 ND1 HIS A 33 10.289 2.928 7.384 1.00 0.00 N ATOM 541 CD2 HIS A 33 12.351 3.470 6.953 1.00 0.00 C ATOM 542 CE1 HIS A 33 10.480 4.138 7.865 1.00 0.00 C ATOM 543 NE2 HIS A 33 11.721 4.493 7.617 1.00 0.00 N ATOM 0 H HIS A 33 10.082 2.036 4.125 1.00 0.00 H new ATOM 0 HA HIS A 33 12.985 1.517 4.554 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.606 0.602 6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.303 0.527 6.652 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.414 2.407 7.437 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.377 3.462 6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.742 4.738 8.377 1.00 0.00 H new ATOM 552 N THR A 34 12.881 -0.815 3.579 1.00 0.00 N ATOM 553 CA THR A 34 12.839 -2.105 2.870 1.00 0.00 C ATOM 554 C THR A 34 13.251 -3.248 3.820 1.00 0.00 C ATOM 555 O THR A 34 14.443 -3.496 4.015 1.00 0.00 O ATOM 556 CB THR A 34 13.772 -2.060 1.614 1.00 0.00 C ATOM 557 OG1 THR A 34 13.486 -0.881 0.839 1.00 0.00 O ATOM 558 CG2 THR A 34 13.609 -3.293 0.712 1.00 0.00 C ATOM 0 H THR A 34 13.825 -0.471 3.756 1.00 0.00 H new ATOM 0 HA THR A 34 11.820 -2.292 2.533 1.00 0.00 H new ATOM 0 HB THR A 34 14.798 -2.046 1.982 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.929 -1.122 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.279 -3.209 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.853 -4.192 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.579 -3.353 0.361 1.00 0.00 H new ATOM 566 N LEU A 35 12.258 -3.929 4.427 1.00 0.00 N ATOM 567 CA LEU A 35 12.507 -4.969 5.465 1.00 0.00 C ATOM 568 C LEU A 35 12.238 -6.390 4.942 1.00 0.00 C ATOM 569 O LEU A 35 11.730 -6.572 3.827 1.00 0.00 O ATOM 570 CB LEU A 35 11.664 -4.711 6.758 1.00 0.00 C ATOM 571 CG LEU A 35 10.106 -4.592 6.597 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.360 -5.035 7.883 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.692 -3.155 6.205 1.00 0.00 C ATOM 0 H LEU A 35 11.270 -3.782 4.220 1.00 0.00 H new ATOM 0 HA LEU A 35 13.565 -4.895 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.869 -5.520 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.026 -3.791 7.217 1.00 0.00 H new ATOM 0 HG LEU A 35 9.817 -5.267 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.285 -4.938 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.603 -6.074 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.667 -4.404 8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.608 -3.104 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.015 -2.459 6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.160 -2.887 5.258 1.00 0.00 H new ATOM 585 N TRP A 36 12.606 -7.388 5.779 1.00 0.00 N ATOM 586 CA TRP A 36 12.419 -8.820 5.477 1.00 0.00 C ATOM 587 C TRP A 36 10.921 -9.191 5.442 1.00 0.00 C ATOM 588 O TRP A 36 10.167 -8.865 6.374 1.00 0.00 O ATOM 589 CB TRP A 36 13.151 -9.718 6.515 1.00 0.00 C ATOM 590 CG TRP A 36 14.620 -9.389 6.752 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.223 -9.157 7.962 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.668 -9.258 5.764 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.555 -8.886 7.789 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.855 -8.942 6.457 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.724 -9.376 4.370 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.071 -8.739 5.807 1.00 0.00 C ATOM 597 CZ3 TRP A 36 16.934 -9.176 3.730 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.093 -8.859 4.448 1.00 0.00 C ATOM 0 H TRP A 36 13.042 -7.218 6.685 1.00 0.00 H new ATOM 0 HA TRP A 36 12.852 -8.997 4.492 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.623 -9.647 7.466 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.078 -10.755 6.187 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.719 -9.184 8.917 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.217 -8.676 8.536 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.837 -9.619 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.966 -8.495 6.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.985 -9.266 2.655 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.021 -8.707 3.917 1.00 0.00 H new ATOM 609 N ALA A 37 10.519 -9.872 4.359 1.00 0.00 N ATOM 610 CA ALA A 37 9.158 -10.409 4.188 1.00 0.00 C ATOM 611 C ALA A 37 9.174 -11.741 3.446 1.00 0.00 C ATOM 612 O ALA A 37 10.216 -12.211 3.040 1.00 0.00 O ATOM 613 CB ALA A 37 8.279 -9.407 3.441 1.00 0.00 C ATOM 0 H ALA A 37 11.134 -10.068 3.569 1.00 0.00 H new ATOM 0 HA ALA A 37 8.743 -10.579 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.277 -9.819 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.225 -8.477 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.708 -9.209 2.459 1.00 0.00 H new ATOM 619 N SER A 38 8.015 -12.392 3.370 1.00 0.00 N ATOM 620 CA SER A 38 7.738 -13.462 2.410 1.00 0.00 C ATOM 621 C SER A 38 6.433 -13.113 1.691 1.00 0.00 C ATOM 622 O SER A 38 5.358 -13.125 2.302 1.00 0.00 O ATOM 623 CB SER A 38 7.642 -14.828 3.120 1.00 0.00 C ATOM 624 OG SER A 38 8.881 -15.179 3.695 1.00 0.00 O ATOM 0 H SER A 38 7.227 -12.188 3.984 1.00 0.00 H new ATOM 0 HA SER A 38 8.550 -13.544 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.875 -14.788 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.337 -15.594 2.407 1.00 0.00 H new ATOM 0 HG SER A 38 8.800 -16.047 4.142 1.00 0.00 H new ATOM 630 N VAL A 39 6.541 -12.760 0.407 1.00 0.00 N ATOM 631 CA VAL A 39 5.423 -12.243 -0.397 1.00 0.00 C ATOM 632 C VAL A 39 4.861 -13.374 -1.294 1.00 0.00 C ATOM 633 O VAL A 39 5.434 -13.716 -2.336 1.00 0.00 O ATOM 634 CB VAL A 39 5.888 -10.979 -1.234 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.193 -11.241 -2.038 1.00 0.00 C ATOM 636 CG2 VAL A 39 4.760 -10.455 -2.152 1.00 0.00 C ATOM 0 H VAL A 39 7.417 -12.825 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 39 4.617 -11.911 0.257 1.00 0.00 H new ATOM 0 HB VAL A 39 6.117 -10.199 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.465 -10.343 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.998 -11.501 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.032 -12.063 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.117 -9.589 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.465 -11.239 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.901 -10.167 -1.545 1.00 0.00 H new ATOM 646 N ASN A 40 3.767 -14.007 -0.833 1.00 0.00 N ATOM 647 CA ASN A 40 3.148 -15.172 -1.500 1.00 0.00 C ATOM 648 C ASN A 40 1.771 -14.807 -2.062 1.00 0.00 C ATOM 649 O ASN A 40 0.853 -14.510 -1.294 1.00 0.00 O ATOM 650 CB ASN A 40 2.989 -16.339 -0.482 1.00 0.00 C ATOM 651 CG ASN A 40 4.264 -16.660 0.306 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.203 -17.119 1.451 1.00 0.00 O ATOM 653 ND2 ASN A 40 5.426 -16.416 -0.287 1.00 0.00 N ATOM 0 H ASN A 40 3.283 -13.724 0.019 1.00 0.00 H new ATOM 0 HA ASN A 40 3.796 -15.480 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.194 -16.088 0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.671 -17.233 -1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.299 -16.608 0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.446 -16.037 -1.234 1.00 0.00 H new ATOM 660 N MET A 41 1.624 -14.845 -3.396 1.00 0.00 N ATOM 661 CA MET A 41 0.326 -14.632 -4.054 1.00 0.00 C ATOM 662 C MET A 41 -0.648 -15.728 -3.623 1.00 0.00 C ATOM 663 O MET A 41 -0.279 -16.911 -3.607 1.00 0.00 O ATOM 664 CB MET A 41 0.453 -14.624 -5.594 1.00 0.00 C ATOM 665 CG MET A 41 1.379 -13.540 -6.160 1.00 0.00 C ATOM 666 SD MET A 41 1.262 -13.371 -7.953 1.00 0.00 S ATOM 667 CE MET A 41 -0.445 -12.856 -8.153 1.00 0.00 C ATOM 0 H MET A 41 2.393 -15.022 -4.042 1.00 0.00 H new ATOM 0 HA MET A 41 -0.048 -13.654 -3.749 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.817 -15.599 -5.919 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.540 -14.495 -6.025 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.136 -12.585 -5.695 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.409 -13.774 -5.890 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.554 -12.317 -9.094 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.091 -13.734 -8.161 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.728 -12.204 -7.326 1.00 0.00 H new ATOM 677 N VAL A 42 -1.876 -15.334 -3.265 1.00 0.00 N ATOM 678 CA VAL A 42 -2.888 -16.267 -2.755 1.00 0.00 C ATOM 679 C VAL A 42 -3.338 -17.228 -3.871 1.00 0.00 C ATOM 680 O VAL A 42 -3.257 -16.902 -5.065 1.00 0.00 O ATOM 681 CB VAL A 42 -4.129 -15.520 -2.137 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.681 -14.436 -1.127 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.096 -14.957 -3.220 1.00 0.00 C ATOM 0 H VAL A 42 -2.195 -14.367 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.426 -16.841 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.706 -16.263 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.558 -13.937 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.117 -14.902 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.051 -13.705 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.932 -14.453 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.561 -14.247 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.472 -15.776 -3.833 1.00 0.00 H new ATOM 693 N SER A 43 -3.796 -18.416 -3.478 1.00 0.00 N ATOM 694 CA SER A 43 -4.288 -19.432 -4.416 1.00 0.00 C ATOM 695 C SER A 43 -5.761 -19.172 -4.765 1.00 0.00 C ATOM 696 O SER A 43 -6.417 -18.315 -4.151 1.00 0.00 O ATOM 697 CB SER A 43 -4.108 -20.827 -3.777 1.00 0.00 C ATOM 698 OG SER A 43 -2.741 -21.074 -3.476 1.00 0.00 O ATOM 0 H SER A 43 -3.838 -18.704 -2.500 1.00 0.00 H new ATOM 0 HA SER A 43 -3.718 -19.385 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.703 -20.894 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.479 -21.594 -4.457 1.00 0.00 H new ATOM 0 HG SER A 43 -2.650 -21.962 -3.071 1.00 0.00 H new ATOM 704 N SER A 44 -6.276 -19.934 -5.748 1.00 0.00 N ATOM 705 CA SER A 44 -7.706 -19.921 -6.115 1.00 0.00 C ATOM 706 C SER A 44 -8.581 -20.343 -4.914 1.00 0.00 C ATOM 707 O SER A 44 -9.738 -19.945 -4.810 1.00 0.00 O ATOM 708 CB SER A 44 -7.938 -20.856 -7.318 1.00 0.00 C ATOM 709 OG SER A 44 -7.462 -22.167 -7.061 1.00 0.00 O ATOM 0 H SER A 44 -5.715 -20.575 -6.309 1.00 0.00 H new ATOM 0 HA SER A 44 -7.993 -18.907 -6.395 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.002 -20.894 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.435 -20.451 -8.196 1.00 0.00 H new ATOM 0 HG SER A 44 -7.626 -22.734 -7.843 1.00 0.00 H new ATOM 715 N LYS A 45 -7.974 -21.155 -4.021 1.00 0.00 N ATOM 716 CA LYS A 45 -8.547 -21.584 -2.724 1.00 0.00 C ATOM 717 C LYS A 45 -9.126 -20.397 -1.931 1.00 0.00 C ATOM 718 O LYS A 45 -10.243 -20.480 -1.422 1.00 0.00 O ATOM 719 CB LYS A 45 -7.440 -22.305 -1.893 1.00 0.00 C ATOM 720 CG LYS A 45 -7.820 -22.690 -0.441 1.00 0.00 C ATOM 721 CD LYS A 45 -9.031 -23.651 -0.359 1.00 0.00 C ATOM 722 CE LYS A 45 -9.407 -23.996 1.093 1.00 0.00 C ATOM 723 NZ LYS A 45 -9.668 -22.773 1.906 1.00 0.00 N ATOM 0 H LYS A 45 -7.045 -21.542 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.372 -22.269 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.149 -23.212 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.562 -21.660 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.961 -23.157 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.046 -21.783 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.888 -23.195 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.801 -24.569 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.293 -24.631 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.601 -24.570 1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.032 -23.048 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.784 -22.238 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.371 -22.178 1.422 1.00 0.00 H new ATOM 737 N GLU A 46 -8.360 -19.301 -1.858 1.00 0.00 N ATOM 738 CA GLU A 46 -8.735 -18.113 -1.069 1.00 0.00 C ATOM 739 C GLU A 46 -9.962 -17.411 -1.661 1.00 0.00 C ATOM 740 O GLU A 46 -10.841 -16.965 -0.927 1.00 0.00 O ATOM 741 CB GLU A 46 -7.536 -17.149 -0.983 1.00 0.00 C ATOM 742 CG GLU A 46 -6.295 -17.766 -0.306 1.00 0.00 C ATOM 743 CD GLU A 46 -6.562 -18.239 1.127 1.00 0.00 C ATOM 744 OE1 GLU A 46 -6.660 -17.386 2.032 1.00 0.00 O ATOM 745 OE2 GLU A 46 -6.668 -19.466 1.359 1.00 0.00 O ATOM 0 H GLU A 46 -7.466 -19.209 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.004 -18.436 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.268 -16.825 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.836 -16.258 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.946 -18.610 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.491 -17.030 -0.295 1.00 0.00 H new ATOM 752 N ALA A 47 -10.008 -17.342 -2.998 1.00 0.00 N ATOM 753 CA ALA A 47 -11.133 -16.736 -3.730 1.00 0.00 C ATOM 754 C ALA A 47 -12.428 -17.557 -3.533 1.00 0.00 C ATOM 755 O ALA A 47 -13.468 -17.009 -3.165 1.00 0.00 O ATOM 756 CB ALA A 47 -10.786 -16.608 -5.217 1.00 0.00 C ATOM 0 H ALA A 47 -9.270 -17.703 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.310 -15.738 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.625 -16.159 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.904 -15.978 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.582 -17.596 -5.629 1.00 0.00 H new ATOM 762 N ILE A 48 -12.322 -18.877 -3.787 1.00 0.00 N ATOM 763 CA ILE A 48 -13.436 -19.847 -3.653 1.00 0.00 C ATOM 764 C ILE A 48 -14.048 -19.840 -2.232 1.00 0.00 C ATOM 765 O ILE A 48 -15.263 -19.667 -2.070 1.00 0.00 O ATOM 766 CB ILE A 48 -12.957 -21.308 -4.033 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.487 -21.370 -5.524 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.055 -22.371 -3.767 1.00 0.00 C ATOM 769 CD1 ILE A 48 -11.881 -22.702 -5.959 1.00 0.00 C ATOM 0 H ILE A 48 -11.450 -19.308 -4.095 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.215 -19.535 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.111 -21.544 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.339 -21.150 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.751 -20.583 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.681 -23.357 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.318 -22.365 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.938 -22.139 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.587 -22.643 -7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.005 -22.920 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.618 -23.495 -5.833 1.00 0.00 H new ATOM 781 N SER A 49 -13.187 -19.995 -1.218 1.00 0.00 N ATOM 782 CA SER A 49 -13.607 -20.141 0.193 1.00 0.00 C ATOM 783 C SER A 49 -14.144 -18.827 0.786 1.00 0.00 C ATOM 784 O SER A 49 -14.961 -18.854 1.706 1.00 0.00 O ATOM 785 CB SER A 49 -12.431 -20.688 1.018 1.00 0.00 C ATOM 786 OG SER A 49 -11.977 -21.919 0.479 1.00 0.00 O ATOM 0 H SER A 49 -12.176 -20.024 -1.347 1.00 0.00 H new ATOM 0 HA SER A 49 -14.436 -20.848 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.616 -19.964 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.740 -20.829 2.054 1.00 0.00 H new ATOM 0 HG SER A 49 -11.358 -21.744 -0.260 1.00 0.00 H new ATOM 792 N SER A 50 -13.692 -17.686 0.248 1.00 0.00 N ATOM 793 CA SER A 50 -14.196 -16.352 0.649 1.00 0.00 C ATOM 794 C SER A 50 -15.360 -15.892 -0.259 1.00 0.00 C ATOM 795 O SER A 50 -16.000 -14.867 0.016 1.00 0.00 O ATOM 796 CB SER A 50 -13.036 -15.343 0.620 1.00 0.00 C ATOM 797 OG SER A 50 -11.977 -15.759 1.464 1.00 0.00 O ATOM 0 H SER A 50 -12.971 -17.654 -0.473 1.00 0.00 H new ATOM 0 HA SER A 50 -14.591 -16.413 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.670 -15.234 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.394 -14.363 0.937 1.00 0.00 H new ATOM 0 HG SER A 50 -11.319 -16.261 0.940 1.00 0.00 H new ATOM 803 N GLY A 51 -15.618 -16.665 -1.335 1.00 0.00 N ATOM 804 CA GLY A 51 -16.709 -16.384 -2.263 1.00 0.00 C ATOM 805 C GLY A 51 -16.391 -15.201 -3.174 1.00 0.00 C ATOM 806 O GLY A 51 -15.842 -15.385 -4.262 1.00 0.00 O ATOM 0 H GLY A 51 -15.074 -17.494 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.905 -17.267 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.619 -16.175 -1.701 1.00 0.00 H new ATOM 810 N ALA A 52 -16.710 -13.983 -2.705 1.00 0.00 N ATOM 811 CA ALA A 52 -16.463 -12.724 -3.446 1.00 0.00 C ATOM 812 C ALA A 52 -15.627 -11.736 -2.602 1.00 0.00 C ATOM 813 O ALA A 52 -15.237 -10.674 -3.097 1.00 0.00 O ATOM 814 CB ALA A 52 -17.805 -12.085 -3.861 1.00 0.00 C ATOM 0 H ALA A 52 -17.149 -13.838 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.891 -12.959 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.615 -11.160 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.355 -12.776 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -18.395 -11.867 -2.971 1.00 0.00 H new ATOM 820 N GLU A 53 -15.366 -12.097 -1.323 1.00 0.00 N ATOM 821 CA GLU A 53 -14.601 -11.253 -0.375 1.00 0.00 C ATOM 822 C GLU A 53 -13.127 -11.121 -0.828 1.00 0.00 C ATOM 823 O GLU A 53 -12.594 -10.011 -0.933 1.00 0.00 O ATOM 824 CB GLU A 53 -14.694 -11.854 1.055 1.00 0.00 C ATOM 825 CG GLU A 53 -14.001 -11.033 2.159 1.00 0.00 C ATOM 826 CD GLU A 53 -14.587 -9.616 2.333 1.00 0.00 C ATOM 827 OE1 GLU A 53 -15.675 -9.482 2.942 1.00 0.00 O ATOM 828 OE2 GLU A 53 -13.966 -8.631 1.864 1.00 0.00 O ATOM 0 H GLU A 53 -15.679 -12.980 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.033 -10.252 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.746 -11.968 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.259 -12.853 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.082 -11.569 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.939 -10.952 1.928 1.00 0.00 H new ATOM 835 N LEU A 54 -12.487 -12.272 -1.095 1.00 0.00 N ATOM 836 CA LEU A 54 -11.151 -12.345 -1.720 1.00 0.00 C ATOM 837 C LEU A 54 -11.301 -12.849 -3.160 1.00 0.00 C ATOM 838 O LEU A 54 -12.285 -13.525 -3.488 1.00 0.00 O ATOM 839 CB LEU A 54 -10.199 -13.278 -0.918 1.00 0.00 C ATOM 840 CG LEU A 54 -9.838 -12.816 0.536 1.00 0.00 C ATOM 841 CD1 LEU A 54 -8.906 -13.836 1.234 1.00 0.00 C ATOM 842 CD2 LEU A 54 -9.220 -11.391 0.538 1.00 0.00 C ATOM 0 H LEU A 54 -12.884 -13.187 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.708 -11.349 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.657 -14.266 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.273 -13.389 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.765 -12.772 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.674 -13.487 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.404 -14.804 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.983 -13.936 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.981 -11.100 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.310 -11.388 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.935 -10.684 0.117 1.00 0.00 H new ATOM 854 N ALA A 55 -10.316 -12.510 -3.999 1.00 0.00 N ATOM 855 CA ALA A 55 -10.278 -12.903 -5.418 1.00 0.00 C ATOM 856 C ALA A 55 -8.871 -13.373 -5.809 1.00 0.00 C ATOM 857 O ALA A 55 -7.943 -13.368 -4.987 1.00 0.00 O ATOM 858 CB ALA A 55 -10.742 -11.736 -6.309 1.00 0.00 C ATOM 0 H ALA A 55 -9.513 -11.950 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.963 -13.737 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.709 -12.041 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.763 -11.459 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.084 -10.880 -6.160 1.00 0.00 H new ATOM 864 N ILE A 56 -8.734 -13.802 -7.069 1.00 0.00 N ATOM 865 CA ILE A 56 -7.451 -14.244 -7.635 1.00 0.00 C ATOM 866 C ILE A 56 -6.687 -13.016 -8.166 1.00 0.00 C ATOM 867 O ILE A 56 -7.277 -12.132 -8.798 1.00 0.00 O ATOM 868 CB ILE A 56 -7.683 -15.311 -8.770 1.00 0.00 C ATOM 869 CG1 ILE A 56 -8.506 -16.519 -8.205 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.345 -15.783 -9.397 1.00 0.00 C ATOM 871 CD1 ILE A 56 -8.904 -17.570 -9.228 1.00 0.00 C ATOM 0 H ILE A 56 -9.511 -13.853 -7.728 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.854 -14.723 -6.859 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.256 -14.841 -9.570 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.921 -17.001 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.410 -16.133 -7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.547 -16.518 -10.176 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.825 -14.929 -9.831 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.721 -16.234 -8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.469 -18.362 -8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.521 -17.111 -10.000 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.008 -17.993 -9.683 1.00 0.00 H new ATOM 883 N GLY A 57 -5.381 -12.974 -7.882 1.00 0.00 N ATOM 884 CA GLY A 57 -4.535 -11.795 -8.120 1.00 0.00 C ATOM 885 C GLY A 57 -4.194 -11.092 -6.810 1.00 0.00 C ATOM 886 O GLY A 57 -3.338 -10.195 -6.772 1.00 0.00 O ATOM 0 H GLY A 57 -4.876 -13.762 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.617 -12.098 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.050 -11.102 -8.785 1.00 0.00 H new ATOM 890 N THR A 58 -4.890 -11.513 -5.731 1.00 0.00 N ATOM 891 CA THR A 58 -4.611 -11.085 -4.355 1.00 0.00 C ATOM 892 C THR A 58 -3.283 -11.714 -3.884 1.00 0.00 C ATOM 893 O THR A 58 -2.922 -12.820 -4.299 1.00 0.00 O ATOM 894 CB THR A 58 -5.812 -11.457 -3.407 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.003 -10.791 -3.857 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.570 -11.112 -1.922 1.00 0.00 C ATOM 0 H THR A 58 -5.669 -12.167 -5.799 1.00 0.00 H new ATOM 0 HA THR A 58 -4.504 -10.001 -4.320 1.00 0.00 H new ATOM 0 HB THR A 58 -5.918 -12.540 -3.462 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.582 -11.433 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.443 -11.399 -1.335 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.696 -11.653 -1.561 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.401 -10.040 -1.820 1.00 0.00 H new ATOM 904 N VAL A 59 -2.536 -10.964 -3.072 1.00 0.00 N ATOM 905 CA VAL A 59 -1.216 -11.350 -2.570 1.00 0.00 C ATOM 906 C VAL A 59 -1.209 -11.250 -1.037 1.00 0.00 C ATOM 907 O VAL A 59 -1.624 -10.238 -0.480 1.00 0.00 O ATOM 908 CB VAL A 59 -0.094 -10.418 -3.159 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.302 -10.887 -2.699 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.183 -10.339 -4.707 1.00 0.00 C ATOM 0 H VAL A 59 -2.839 -10.050 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.012 -12.374 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.254 -9.411 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.063 -10.229 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.355 -10.857 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.475 -11.907 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.605 -9.688 -5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.063 -11.336 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.154 -9.937 -4.996 1.00 0.00 H new ATOM 920 N ARG A 60 -0.756 -12.311 -0.364 1.00 0.00 N ATOM 921 CA ARG A 60 -0.563 -12.317 1.095 1.00 0.00 C ATOM 922 C ARG A 60 0.933 -12.179 1.390 1.00 0.00 C ATOM 923 O ARG A 60 1.762 -12.769 0.704 1.00 0.00 O ATOM 924 CB ARG A 60 -1.142 -13.615 1.710 1.00 0.00 C ATOM 925 CG ARG A 60 -0.935 -13.756 3.236 1.00 0.00 C ATOM 926 CD ARG A 60 -1.742 -14.916 3.829 1.00 0.00 C ATOM 927 NE ARG A 60 -3.197 -14.641 3.789 1.00 0.00 N ATOM 928 CZ ARG A 60 -4.129 -15.376 3.156 1.00 0.00 C ATOM 929 NH1 ARG A 60 -3.799 -16.457 2.450 1.00 0.00 N ATOM 930 NH2 ARG A 60 -5.402 -15.009 3.219 1.00 0.00 N ATOM 0 H ARG A 60 -0.511 -13.193 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.094 -11.480 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.210 -13.657 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.684 -14.471 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.124 -13.910 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.225 -12.827 3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.528 -15.830 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.431 -15.088 4.860 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.524 -13.815 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.822 -16.743 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.523 -16.999 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.667 -14.176 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.116 -15.560 2.742 1.00 0.00 H new ATOM 944 N ILE A 61 1.264 -11.401 2.417 1.00 0.00 N ATOM 945 CA ILE A 61 2.640 -10.993 2.731 1.00 0.00 C ATOM 946 C ILE A 61 2.817 -11.116 4.244 1.00 0.00 C ATOM 947 O ILE A 61 1.868 -10.897 4.997 1.00 0.00 O ATOM 948 CB ILE A 61 2.919 -9.509 2.257 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.554 -9.340 0.744 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.388 -9.079 2.539 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.553 -7.922 0.236 1.00 0.00 C ATOM 0 H ILE A 61 0.575 -11.027 3.069 1.00 0.00 H new ATOM 0 HA ILE A 61 3.350 -11.632 2.206 1.00 0.00 H new ATOM 0 HB ILE A 61 2.279 -8.846 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.260 -9.921 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.566 -9.769 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.539 -8.054 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.586 -9.139 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.070 -9.742 2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.288 -7.914 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.825 -7.335 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.545 -7.489 0.365 1.00 0.00 H new ATOM 963 N TRP A 62 4.004 -11.533 4.679 1.00 0.00 N ATOM 964 CA TRP A 62 4.348 -11.644 6.103 1.00 0.00 C ATOM 965 C TRP A 62 5.661 -10.929 6.347 1.00 0.00 C ATOM 966 O TRP A 62 6.638 -11.204 5.675 1.00 0.00 O ATOM 967 CB TRP A 62 4.434 -13.130 6.540 1.00 0.00 C ATOM 968 CG TRP A 62 3.098 -13.826 6.526 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.505 -14.455 5.470 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.184 -13.935 7.621 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.289 -14.955 5.846 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.075 -14.659 7.168 1.00 0.00 C ATOM 973 CE3 TRP A 62 2.209 -13.499 8.950 1.00 0.00 C ATOM 974 CZ2 TRP A 62 -0.006 -14.957 7.995 1.00 0.00 C ATOM 975 CZ3 TRP A 62 1.139 -13.797 9.772 1.00 0.00 C ATOM 976 CH2 TRP A 62 0.046 -14.523 9.294 1.00 0.00 C ATOM 0 H TRP A 62 4.762 -11.806 4.053 1.00 0.00 H new ATOM 0 HA TRP A 62 3.566 -11.177 6.702 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.120 -13.659 5.878 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.855 -13.184 7.544 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.933 -14.545 4.483 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.645 -15.465 5.241 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.051 -12.938 9.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.856 -15.511 7.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.148 -13.464 10.799 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.774 -14.747 9.961 1.00 0.00 H new ATOM 987 N ILE A 63 5.666 -10.022 7.318 1.00 0.00 N ATOM 988 CA ILE A 63 6.829 -9.178 7.673 1.00 0.00 C ATOM 989 C ILE A 63 7.087 -9.338 9.174 1.00 0.00 C ATOM 990 O ILE A 63 6.188 -9.748 9.889 1.00 0.00 O ATOM 991 CB ILE A 63 6.544 -7.659 7.384 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.316 -7.168 8.211 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.328 -7.399 5.877 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.127 -5.680 8.231 1.00 0.00 C ATOM 0 H ILE A 63 4.849 -9.840 7.900 1.00 0.00 H new ATOM 0 HA ILE A 63 7.686 -9.491 7.076 1.00 0.00 H new ATOM 0 HB ILE A 63 7.422 -7.091 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.415 -7.629 7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.422 -7.521 9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.134 -6.339 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.221 -7.693 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.477 -7.982 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.250 -5.433 8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.008 -5.207 8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.985 -5.317 7.213 1.00 0.00 H new ATOM 1006 N ARG A 64 8.316 -9.051 9.642 1.00 0.00 N ATOM 1007 CA ARG A 64 8.591 -8.931 11.095 1.00 0.00 C ATOM 1008 C ARG A 64 7.734 -7.802 11.717 1.00 0.00 C ATOM 1009 O ARG A 64 7.477 -6.785 11.055 1.00 0.00 O ATOM 1010 CB ARG A 64 10.098 -8.685 11.368 1.00 0.00 C ATOM 1011 CG ARG A 64 11.020 -9.829 10.893 1.00 0.00 C ATOM 1012 CD ARG A 64 12.463 -9.693 11.396 1.00 0.00 C ATOM 1013 NE ARG A 64 13.302 -10.820 10.957 1.00 0.00 N ATOM 1014 CZ ARG A 64 14.237 -11.436 11.696 1.00 0.00 C ATOM 1015 NH1 ARG A 64 14.439 -11.097 12.967 1.00 0.00 N ATOM 1016 NH2 ARG A 64 14.956 -12.404 11.156 1.00 0.00 N ATOM 0 H ARG A 64 9.130 -8.898 9.046 1.00 0.00 H new ATOM 0 HA ARG A 64 8.319 -9.876 11.565 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.400 -7.761 10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.243 -8.537 12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.612 -10.781 11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.023 -9.855 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.889 -8.759 11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.465 -9.640 12.485 1.00 0.00 H new ATOM 0 HE ARG A 64 13.160 -11.163 10.007 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.879 -10.359 13.393 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.154 -11.575 13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.798 -12.677 10.186 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.669 -12.879 11.709 1.00 0.00 H new ATOM 1030 N TYR A 65 7.305 -8.003 12.986 1.00 0.00 N ATOM 1031 CA TYR A 65 6.404 -7.075 13.704 1.00 0.00 C ATOM 1032 C TYR A 65 7.020 -5.668 13.754 1.00 0.00 C ATOM 1033 O TYR A 65 8.149 -5.500 14.232 1.00 0.00 O ATOM 1034 CB TYR A 65 6.113 -7.590 15.139 1.00 0.00 C ATOM 1035 CG TYR A 65 5.048 -6.776 15.920 1.00 0.00 C ATOM 1036 CD1 TYR A 65 5.373 -5.590 16.589 1.00 0.00 C ATOM 1037 CD2 TYR A 65 3.718 -7.205 15.989 1.00 0.00 C ATOM 1038 CE1 TYR A 65 4.421 -4.865 17.276 1.00 0.00 C ATOM 1039 CE2 TYR A 65 2.764 -6.478 16.677 1.00 0.00 C ATOM 1040 CZ TYR A 65 3.117 -5.318 17.323 1.00 0.00 C ATOM 1041 OH TYR A 65 2.162 -4.592 18.001 1.00 0.00 O ATOM 0 H TYR A 65 7.576 -8.816 13.540 1.00 0.00 H new ATOM 0 HA TYR A 65 5.459 -7.025 13.162 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.784 -8.627 15.078 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.043 -7.584 15.707 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.392 -5.234 16.567 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.431 -8.122 15.495 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.694 -3.947 17.775 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.741 -6.822 16.707 1.00 0.00 H new ATOM 0 HH TYR A 65 1.297 -5.048 17.936 1.00 0.00 H new ATOM 1051 N ARG A 66 6.259 -4.669 13.273 1.00 0.00 N ATOM 1052 CA ARG A 66 6.766 -3.303 13.103 1.00 0.00 C ATOM 1053 C ARG A 66 5.614 -2.275 13.191 1.00 0.00 C ATOM 1054 O ARG A 66 4.668 -2.329 12.405 1.00 0.00 O ATOM 1055 CB ARG A 66 7.510 -3.207 11.744 1.00 0.00 C ATOM 1056 CG ARG A 66 8.312 -1.910 11.521 1.00 0.00 C ATOM 1057 CD ARG A 66 9.074 -1.932 10.188 1.00 0.00 C ATOM 1058 NE ARG A 66 9.961 -0.763 10.022 1.00 0.00 N ATOM 1059 CZ ARG A 66 11.168 -0.793 9.443 1.00 0.00 C ATOM 1060 NH1 ARG A 66 11.671 -1.931 8.979 1.00 0.00 N ATOM 1061 NH2 ARG A 66 11.870 0.320 9.344 1.00 0.00 N ATOM 0 H ARG A 66 5.285 -4.787 12.995 1.00 0.00 H new ATOM 0 HA ARG A 66 7.465 -3.069 13.906 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.191 -4.054 11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.779 -3.305 10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.634 -1.056 11.538 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.017 -1.774 12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.667 -2.845 10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.359 -1.961 9.366 1.00 0.00 H new ATOM 0 HE ARG A 66 9.629 0.135 10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.137 -2.796 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.592 -1.940 8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.492 1.195 9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.790 0.305 8.904 1.00 0.00 H new ATOM 1075 N LYS A 67 5.740 -1.329 14.149 1.00 0.00 N ATOM 1076 CA LYS A 67 4.756 -0.242 14.417 1.00 0.00 C ATOM 1077 C LYS A 67 4.753 0.841 13.306 1.00 0.00 C ATOM 1078 O LYS A 67 3.931 1.758 13.332 1.00 0.00 O ATOM 1079 CB LYS A 67 5.096 0.424 15.784 1.00 0.00 C ATOM 1080 CG LYS A 67 4.949 -0.493 17.017 1.00 0.00 C ATOM 1081 CD LYS A 67 3.477 -0.761 17.391 1.00 0.00 C ATOM 1082 CE LYS A 67 3.343 -1.629 18.657 1.00 0.00 C ATOM 1083 NZ LYS A 67 4.080 -1.067 19.825 1.00 0.00 N ATOM 0 H LYS A 67 6.545 -1.295 14.774 1.00 0.00 H new ATOM 0 HA LYS A 67 3.763 -0.691 14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.121 0.792 15.745 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.450 1.292 15.918 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.447 -1.442 16.820 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.457 -0.036 17.866 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.966 0.189 17.549 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.978 -1.257 16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.288 -1.729 18.913 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.716 -2.631 18.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.795 -1.570 20.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.103 -1.183 19.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.856 -0.056 19.923 1.00 0.00 H new ATOM 1097 N ASP A 68 5.652 0.692 12.325 1.00 0.00 N ATOM 1098 CA ASP A 68 5.853 1.659 11.222 1.00 0.00 C ATOM 1099 C ASP A 68 4.944 1.310 10.032 1.00 0.00 C ATOM 1100 O ASP A 68 4.590 2.177 9.224 1.00 0.00 O ATOM 1101 CB ASP A 68 7.367 1.615 10.823 1.00 0.00 C ATOM 1102 CG ASP A 68 7.714 2.208 9.444 1.00 0.00 C ATOM 1103 OD1 ASP A 68 7.676 3.443 9.288 1.00 0.00 O ATOM 1104 OD2 ASP A 68 8.056 1.428 8.520 1.00 0.00 O ATOM 0 H ASP A 68 6.274 -0.115 12.268 1.00 0.00 H new ATOM 0 HA ASP A 68 5.587 2.668 11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.939 2.149 11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.699 0.577 10.845 1.00 0.00 H new ATOM 1109 N ILE A 69 4.541 0.037 9.962 1.00 0.00 N ATOM 1110 CA ILE A 69 3.752 -0.496 8.846 1.00 0.00 C ATOM 1111 C ILE A 69 2.258 -0.294 9.101 1.00 0.00 C ATOM 1112 O ILE A 69 1.756 -0.630 10.181 1.00 0.00 O ATOM 1113 CB ILE A 69 4.055 -2.015 8.614 1.00 0.00 C ATOM 1114 CG1 ILE A 69 5.598 -2.265 8.626 1.00 0.00 C ATOM 1115 CG2 ILE A 69 3.397 -2.523 7.299 1.00 0.00 C ATOM 1116 CD1 ILE A 69 6.404 -1.430 7.661 1.00 0.00 C ATOM 0 H ILE A 69 4.754 -0.655 10.680 1.00 0.00 H new ATOM 0 HA ILE A 69 4.036 0.051 7.947 1.00 0.00 H new ATOM 0 HB ILE A 69 3.616 -2.588 9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.969 -2.082 9.634 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.779 -3.317 8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.624 -3.580 7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.317 -2.388 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.789 -1.957 6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.460 -1.685 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.071 -1.628 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.264 -0.373 7.890 1.00 0.00 H new ATOM 1128 N ASN A 70 1.561 0.248 8.100 1.00 0.00 N ATOM 1129 CA ASN A 70 0.110 0.445 8.147 1.00 0.00 C ATOM 1130 C ASN A 70 -0.484 0.239 6.744 1.00 0.00 C ATOM 1131 O ASN A 70 0.255 0.164 5.755 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.235 1.856 8.703 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.712 2.024 9.095 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.380 1.071 9.518 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.243 3.208 8.896 1.00 0.00 N ATOM 0 H ASN A 70 1.989 0.564 7.230 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.329 -0.289 8.822 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.388 2.055 9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.019 2.604 7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.232 3.363 9.091 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.666 3.973 8.547 1.00 0.00 H new ATOM 1142 N ALA A 71 -1.824 0.140 6.683 1.00 0.00 N ATOM 1143 CA ALA A 71 -2.592 0.060 5.427 1.00 0.00 C ATOM 1144 C ALA A 71 -2.385 1.310 4.543 1.00 0.00 C ATOM 1145 O ALA A 71 -2.537 1.249 3.319 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.074 -0.126 5.749 1.00 0.00 C ATOM 0 H ALA A 71 -2.412 0.113 7.516 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.228 -0.797 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.643 -0.185 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.210 -1.046 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.427 0.720 6.338 1.00 0.00 H new ATOM 1152 N THR A 72 -2.013 2.428 5.194 1.00 0.00 N ATOM 1153 CA THR A 72 -1.718 3.713 4.537 1.00 0.00 C ATOM 1154 C THR A 72 -0.378 3.683 3.760 1.00 0.00 C ATOM 1155 O THR A 72 0.025 4.696 3.184 1.00 0.00 O ATOM 1156 CB THR A 72 -1.707 4.866 5.596 1.00 0.00 C ATOM 1157 OG1 THR A 72 -0.772 4.554 6.649 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.098 5.093 6.215 1.00 0.00 C ATOM 0 H THR A 72 -1.908 2.463 6.208 1.00 0.00 H new ATOM 0 HA THR A 72 -2.507 3.895 3.808 1.00 0.00 H new ATOM 0 HB THR A 72 -1.410 5.779 5.080 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.768 5.279 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.044 5.902 6.944 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.807 5.358 5.430 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.430 4.180 6.710 1.00 0.00 H new ATOM 1166 N SER A 73 0.319 2.533 3.782 1.00 0.00 N ATOM 1167 CA SER A 73 1.495 2.273 2.942 1.00 0.00 C ATOM 1168 C SER A 73 1.089 1.396 1.744 1.00 0.00 C ATOM 1169 O SER A 73 0.033 0.763 1.762 1.00 0.00 O ATOM 1170 CB SER A 73 2.587 1.556 3.772 1.00 0.00 C ATOM 1171 OG SER A 73 3.718 1.249 2.976 1.00 0.00 O ATOM 0 H SER A 73 0.077 1.752 4.391 1.00 0.00 H new ATOM 0 HA SER A 73 1.892 3.220 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.888 2.190 4.606 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.180 0.639 4.199 1.00 0.00 H new ATOM 0 HG SER A 73 3.927 2.011 2.397 1.00 0.00 H new ATOM 1177 N ARG A 74 1.933 1.391 0.698 1.00 0.00 N ATOM 1178 CA ARG A 74 1.823 0.445 -0.444 1.00 0.00 C ATOM 1179 C ARG A 74 3.048 -0.473 -0.419 1.00 0.00 C ATOM 1180 O ARG A 74 4.129 -0.049 -0.011 1.00 0.00 O ATOM 1181 CB ARG A 74 1.767 1.193 -1.804 1.00 0.00 C ATOM 1182 CG ARG A 74 0.740 2.330 -1.849 1.00 0.00 C ATOM 1183 CD ARG A 74 0.786 3.141 -3.154 1.00 0.00 C ATOM 1184 NE ARG A 74 0.201 2.426 -4.294 1.00 0.00 N ATOM 1185 CZ ARG A 74 0.622 2.501 -5.562 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.762 3.118 -5.869 1.00 0.00 N ATOM 1187 NH2 ARG A 74 -0.087 1.920 -6.516 1.00 0.00 N ATOM 0 H ARG A 74 2.715 2.041 0.613 1.00 0.00 H new ATOM 0 HA ARG A 74 0.900 -0.126 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.754 1.600 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.535 0.476 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.259 1.913 -1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.913 3.000 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.254 4.081 -3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.822 3.393 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.596 1.819 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.327 3.541 -5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.070 3.167 -6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.945 1.421 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.225 1.971 -7.486 1.00 0.00 H new ATOM 1201 N ILE A 75 2.889 -1.720 -0.848 1.00 0.00 N ATOM 1202 CA ILE A 75 3.990 -2.686 -0.885 1.00 0.00 C ATOM 1203 C ILE A 75 4.628 -2.719 -2.286 1.00 0.00 C ATOM 1204 O ILE A 75 4.063 -3.296 -3.213 1.00 0.00 O ATOM 1205 CB ILE A 75 3.491 -4.121 -0.497 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.797 -4.120 0.903 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.654 -5.137 -0.560 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.654 -3.631 2.054 1.00 0.00 C ATOM 0 H ILE A 75 1.999 -2.092 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 75 4.738 -2.370 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 75 2.741 -4.430 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.905 -3.497 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.464 -5.134 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.288 -6.127 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.058 -5.166 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.438 -4.836 0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.078 -3.670 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.535 -4.266 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.966 -2.604 1.865 1.00 0.00 H new ATOM 1220 N LYS A 76 5.795 -2.076 -2.444 1.00 0.00 N ATOM 1221 CA LYS A 76 6.606 -2.216 -3.664 1.00 0.00 C ATOM 1222 C LYS A 76 7.654 -3.303 -3.425 1.00 0.00 C ATOM 1223 O LYS A 76 8.643 -3.062 -2.756 1.00 0.00 O ATOM 1224 CB LYS A 76 7.285 -0.886 -4.058 1.00 0.00 C ATOM 1225 CG LYS A 76 7.956 -0.941 -5.449 1.00 0.00 C ATOM 1226 CD LYS A 76 8.598 0.395 -5.857 1.00 0.00 C ATOM 1227 CE LYS A 76 8.940 0.455 -7.356 1.00 0.00 C ATOM 1228 NZ LYS A 76 9.853 -0.644 -7.760 1.00 0.00 N ATOM 0 H LYS A 76 6.198 -1.454 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 76 5.955 -2.494 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.542 -0.089 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.034 -0.631 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.719 -1.720 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.213 -1.224 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.918 1.211 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.506 0.550 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.022 0.397 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.404 1.415 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.411 -0.346 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.494 -0.870 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.295 -1.487 -8.005 1.00 0.00 H new ATOM 1242 N VAL A 77 7.426 -4.489 -3.973 1.00 0.00 N ATOM 1243 CA VAL A 77 8.241 -5.683 -3.649 1.00 0.00 C ATOM 1244 C VAL A 77 9.665 -5.551 -4.214 1.00 0.00 C ATOM 1245 O VAL A 77 9.849 -5.321 -5.410 1.00 0.00 O ATOM 1246 CB VAL A 77 7.553 -6.996 -4.158 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.464 -8.243 -4.021 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.223 -7.213 -3.411 1.00 0.00 C ATOM 0 H VAL A 77 6.683 -4.664 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 77 8.316 -5.747 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 77 7.359 -6.869 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.935 -9.122 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.373 -8.096 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.726 -8.389 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.749 -8.127 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.416 -7.299 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.561 -6.366 -3.593 1.00 0.00 H new ATOM 1258 N SER A 78 10.655 -5.679 -3.320 1.00 0.00 N ATOM 1259 CA SER A 78 12.074 -5.515 -3.641 1.00 0.00 C ATOM 1260 C SER A 78 12.640 -6.792 -4.274 1.00 0.00 C ATOM 1261 O SER A 78 13.421 -6.733 -5.232 1.00 0.00 O ATOM 1262 CB SER A 78 12.846 -5.154 -2.352 1.00 0.00 C ATOM 1263 OG SER A 78 14.238 -5.030 -2.572 1.00 0.00 O ATOM 0 H SER A 78 10.487 -5.903 -2.339 1.00 0.00 H new ATOM 0 HA SER A 78 12.188 -4.710 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.460 -4.217 -1.951 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.667 -5.921 -1.598 1.00 0.00 H new ATOM 0 HG SER A 78 14.662 -4.647 -1.776 1.00 0.00 H new ATOM 1269 N THR A 79 12.215 -7.939 -3.734 1.00 0.00 N ATOM 1270 CA THR A 79 12.693 -9.273 -4.126 1.00 0.00 C ATOM 1271 C THR A 79 11.531 -10.272 -3.997 1.00 0.00 C ATOM 1272 O THR A 79 10.818 -10.263 -2.988 1.00 0.00 O ATOM 1273 CB THR A 79 13.905 -9.729 -3.234 1.00 0.00 C ATOM 1274 OG1 THR A 79 13.663 -9.393 -1.867 1.00 0.00 O ATOM 1275 CG2 THR A 79 15.247 -9.114 -3.674 1.00 0.00 C ATOM 0 H THR A 79 11.513 -7.968 -2.995 1.00 0.00 H new ATOM 0 HA THR A 79 13.042 -9.237 -5.158 1.00 0.00 H new ATOM 0 HB THR A 79 13.986 -10.809 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.423 -9.683 -1.320 1.00 0.00 H new ATOM 0 HG21 THR A 79 16.042 -9.469 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.464 -9.410 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 79 15.186 -8.027 -3.615 1.00 0.00 H new ATOM 1283 N GLY A 80 11.334 -11.100 -5.038 1.00 0.00 N ATOM 1284 CA GLY A 80 10.246 -12.089 -5.070 1.00 0.00 C ATOM 1285 C GLY A 80 9.706 -12.318 -6.477 1.00 0.00 C ATOM 1286 O GLY A 80 10.298 -11.837 -7.444 1.00 0.00 O ATOM 0 H GLY A 80 11.920 -11.102 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.607 -13.034 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.435 -11.753 -4.423 1.00 0.00 H new ATOM 1290 N PRO A 81 8.562 -13.061 -6.638 1.00 0.00 N ATOM 1291 CA PRO A 81 7.887 -13.247 -7.960 1.00 0.00 C ATOM 1292 C PRO A 81 7.333 -11.926 -8.516 1.00 0.00 C ATOM 1293 O PRO A 81 7.046 -11.807 -9.709 1.00 0.00 O ATOM 1294 CB PRO A 81 6.741 -14.253 -7.643 1.00 0.00 C ATOM 1295 CG PRO A 81 7.167 -14.906 -6.366 1.00 0.00 C ATOM 1296 CD PRO A 81 7.844 -13.812 -5.574 1.00 0.00 C ATOM 0 HA PRO A 81 8.571 -13.606 -8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.784 -13.743 -7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.620 -14.984 -8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.312 -15.312 -5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.848 -15.736 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.125 -13.185 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.527 -14.213 -4.825 1.00 0.00 H new ATOM 1304 N LEU A 82 7.202 -10.939 -7.617 1.00 0.00 N ATOM 1305 CA LEU A 82 6.625 -9.621 -7.901 1.00 0.00 C ATOM 1306 C LEU A 82 7.710 -8.524 -7.762 1.00 0.00 C ATOM 1307 O LEU A 82 7.393 -7.346 -7.544 1.00 0.00 O ATOM 1308 CB LEU A 82 5.458 -9.398 -6.901 1.00 0.00 C ATOM 1309 CG LEU A 82 4.420 -10.572 -6.816 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.442 -10.366 -5.653 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.672 -10.762 -8.157 1.00 0.00 C ATOM 0 H LEU A 82 7.503 -11.040 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 82 6.248 -9.569 -8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.877 -9.232 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.930 -8.486 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 82 4.975 -11.489 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.736 -11.195 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.996 -10.324 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.899 -9.432 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.961 -11.583 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.138 -9.846 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.390 -10.992 -8.945 1.00 0.00 H new ATOM 1323 N ALA A 83 8.991 -8.941 -7.922 1.00 0.00 N ATOM 1324 CA ALA A 83 10.174 -8.064 -7.752 1.00 0.00 C ATOM 1325 C ALA A 83 10.178 -6.916 -8.780 1.00 0.00 C ATOM 1326 O ALA A 83 10.363 -7.146 -9.983 1.00 0.00 O ATOM 1327 CB ALA A 83 11.470 -8.886 -7.862 1.00 0.00 C ATOM 0 H ALA A 83 9.232 -9.900 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 83 10.119 -7.620 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.330 -8.228 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.482 -9.652 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.518 -9.361 -8.842 1.00 0.00 H new ATOM 1333 N GLY A 84 9.916 -5.698 -8.286 1.00 0.00 N ATOM 1334 CA GLY A 84 9.894 -4.478 -9.090 1.00 0.00 C ATOM 1335 C GLY A 84 8.530 -3.803 -9.062 1.00 0.00 C ATOM 1336 O GLY A 84 8.438 -2.572 -9.124 1.00 0.00 O ATOM 0 H GLY A 84 9.711 -5.535 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.649 -3.785 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.159 -4.717 -10.120 1.00 0.00 H new ATOM 1340 N ARG A 85 7.465 -4.610 -8.936 1.00 0.00 N ATOM 1341 CA ARG A 85 6.070 -4.137 -9.010 1.00 0.00 C ATOM 1342 C ARG A 85 5.512 -3.704 -7.636 1.00 0.00 C ATOM 1343 O ARG A 85 6.133 -3.939 -6.593 1.00 0.00 O ATOM 1344 CB ARG A 85 5.183 -5.230 -9.664 1.00 0.00 C ATOM 1345 CG ARG A 85 5.519 -5.497 -11.155 1.00 0.00 C ATOM 1346 CD ARG A 85 4.384 -6.190 -11.920 1.00 0.00 C ATOM 1347 NE ARG A 85 4.033 -7.513 -11.364 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.779 -7.946 -11.133 1.00 0.00 C ATOM 1349 NH1 ARG A 85 1.751 -7.118 -11.224 1.00 0.00 N ATOM 1350 NH2 ARG A 85 2.566 -9.200 -10.780 1.00 0.00 N ATOM 0 H ARG A 85 7.546 -5.615 -8.779 1.00 0.00 H new ATOM 0 HA ARG A 85 6.054 -3.242 -9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.294 -6.158 -9.104 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.137 -4.933 -9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.751 -4.550 -11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.416 -6.114 -11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.501 -5.551 -11.906 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.676 -6.307 -12.964 1.00 0.00 H new ATOM 0 HE ARG A 85 4.799 -8.147 -11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.904 -6.140 -11.471 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.806 -7.457 -11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.352 -9.843 -10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.615 -9.526 -10.605 1.00 0.00 H new ATOM 1364 N VAL A 86 4.313 -3.080 -7.665 1.00 0.00 N ATOM 1365 CA VAL A 86 3.687 -2.420 -6.503 1.00 0.00 C ATOM 1366 C VAL A 86 2.297 -3.034 -6.229 1.00 0.00 C ATOM 1367 O VAL A 86 1.325 -2.801 -6.965 1.00 0.00 O ATOM 1368 CB VAL A 86 3.521 -0.869 -6.707 1.00 0.00 C ATOM 1369 CG1 VAL A 86 2.988 -0.192 -5.410 1.00 0.00 C ATOM 1370 CG2 VAL A 86 4.837 -0.210 -7.196 1.00 0.00 C ATOM 0 H VAL A 86 3.746 -3.021 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 86 4.353 -2.582 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 86 2.780 -0.716 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.882 0.880 -5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.018 -0.617 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.690 -0.365 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.681 0.861 -7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.623 -0.376 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.133 -0.651 -8.148 1.00 0.00 H new ATOM 1380 N LEU A 87 2.242 -3.849 -5.183 1.00 0.00 N ATOM 1381 CA LEU A 87 1.003 -4.389 -4.625 1.00 0.00 C ATOM 1382 C LEU A 87 0.441 -3.378 -3.606 1.00 0.00 C ATOM 1383 O LEU A 87 1.189 -2.729 -2.886 1.00 0.00 O ATOM 1384 CB LEU A 87 1.254 -5.782 -3.974 1.00 0.00 C ATOM 1385 CG LEU A 87 1.816 -6.911 -4.908 1.00 0.00 C ATOM 1386 CD1 LEU A 87 0.967 -7.087 -6.178 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.301 -6.696 -5.256 1.00 0.00 C ATOM 0 H LEU A 87 3.076 -4.162 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 87 0.270 -4.538 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.950 -5.649 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.314 -6.131 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 87 1.749 -7.838 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.394 -7.879 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.053 -7.353 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.958 -6.154 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.643 -7.503 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.420 -5.742 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.892 -6.690 -4.340 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.875 -3.227 -3.601 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.597 -2.247 -2.772 1.00 0.00 C ATOM 1401 C ASN A 88 -2.343 -2.987 -1.658 1.00 0.00 C ATOM 1402 O ASN A 88 -2.913 -4.048 -1.915 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.595 -1.477 -3.673 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.917 -0.629 -4.762 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -1.960 0.594 -4.723 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -1.260 -1.275 -5.728 1.00 0.00 N ATOM 0 H ASN A 88 -1.494 -3.791 -4.184 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.902 -1.540 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.268 -2.191 -4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.208 -0.827 -3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.778 -0.749 -6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.240 -2.295 -5.737 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.392 -2.413 -0.443 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.960 -3.097 0.735 1.00 0.00 C ATOM 1415 C ILE A 89 -4.492 -2.964 0.696 1.00 0.00 C ATOM 1416 O ILE A 89 -5.041 -1.882 0.921 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.383 -2.512 2.086 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.818 -2.596 2.099 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.000 -3.217 3.329 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.146 -2.075 3.371 1.00 0.00 C ATOM 0 H ILE A 89 -2.044 -1.474 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.678 -4.149 0.700 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.667 -1.461 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.525 -3.636 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.433 -2.034 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.578 -2.787 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.081 -3.076 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.773 -4.283 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.935 -2.177 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.400 -1.025 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.494 -2.651 4.228 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.172 -4.079 0.381 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.645 -4.120 0.226 1.00 0.00 C ATOM 1434 C ILE A 90 -7.343 -4.470 1.566 1.00 0.00 C ATOM 1435 O ILE A 90 -8.334 -5.216 1.594 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.065 -5.143 -0.905 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.502 -6.582 -0.623 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.629 -4.627 -2.302 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -7.124 -7.690 -1.462 1.00 0.00 C ATOM 0 H ILE A 90 -4.720 -4.980 0.226 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.973 -3.125 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.152 -5.219 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.426 -6.576 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.654 -6.816 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.928 -5.346 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.106 -3.667 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.546 -4.505 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.672 -8.645 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.197 -7.731 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.950 -7.488 -2.519 1.00 0.00 H new ATOM 1451 N GLY A 91 -6.843 -3.886 2.666 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.391 -4.128 3.999 1.00 0.00 C ATOM 1453 C GLY A 91 -6.625 -3.377 5.074 1.00 0.00 C ATOM 1454 O GLY A 91 -6.302 -2.200 4.899 1.00 0.00 O ATOM 0 H GLY A 91 -6.054 -3.239 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.438 -3.825 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.364 -5.196 4.214 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.323 -4.077 6.181 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.656 -3.521 7.378 1.00 0.00 C ATOM 1460 C GLN A 92 -4.543 -4.501 7.827 1.00 0.00 C ATOM 1461 O GLN A 92 -4.790 -5.711 7.856 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.689 -3.319 8.538 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.894 -2.416 8.192 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.877 -2.191 9.355 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -9.058 -3.053 10.216 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -9.525 -1.029 9.379 1.00 0.00 N ATOM 0 H GLN A 92 -6.540 -5.069 6.274 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.223 -2.551 7.134 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.063 -4.296 8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.170 -2.892 9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.522 -1.448 7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.435 -2.858 7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.354 -0.335 8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.193 -0.833 10.125 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.313 -4.010 8.198 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.200 -4.899 8.611 1.00 0.00 C ATOM 1477 C PRO A 93 -2.500 -5.553 9.974 1.00 0.00 C ATOM 1478 O PRO A 93 -2.558 -4.868 11.007 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.989 -3.937 8.678 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.596 -2.615 9.011 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.909 -2.573 8.257 1.00 0.00 C ATOM 0 HA PRO A 93 -2.029 -5.734 7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.272 -4.250 9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.454 -3.903 7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.756 -2.516 10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.943 -1.796 8.709 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.652 -1.967 8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.788 -2.147 7.261 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.727 -6.871 9.962 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.165 -7.620 11.153 1.00 0.00 C ATOM 1491 C LEU A 94 -1.974 -8.456 11.692 1.00 0.00 C ATOM 1492 O LEU A 94 -1.573 -9.428 11.041 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.412 -8.517 10.796 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.483 -8.744 11.924 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.930 -9.539 13.121 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.092 -7.401 12.380 1.00 0.00 C ATOM 0 H LEU A 94 -2.614 -7.451 9.130 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.479 -6.934 11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.915 -8.070 9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.046 -9.493 10.477 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.274 -9.354 11.489 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.714 -9.665 13.868 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.591 -10.518 12.782 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.093 -8.998 13.562 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.830 -7.583 13.161 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.303 -6.757 12.769 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.573 -6.913 11.532 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.365 -8.054 12.866 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.328 -8.857 13.572 1.00 0.00 C ATOM 1510 C PRO A 95 -0.805 -10.279 13.918 1.00 0.00 C ATOM 1511 O PRO A 95 -2.000 -10.504 14.146 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.050 -8.045 14.865 1.00 0.00 C ATOM 1513 CG PRO A 95 -0.431 -6.642 14.516 1.00 0.00 C ATOM 1514 CD PRO A 95 -1.605 -6.761 13.567 1.00 0.00 C ATOM 0 HA PRO A 95 0.554 -9.005 12.949 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.638 -8.419 15.703 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.998 -8.111 15.157 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.704 -6.077 15.407 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.400 -6.116 14.047 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.554 -6.767 14.103 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.640 -5.927 12.867 1.00 0.00 H new ATOM 1522 N ASP A 96 0.142 -11.225 13.972 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.153 -12.625 14.295 1.00 0.00 C ATOM 1524 C ASP A 96 -0.483 -12.768 15.795 1.00 0.00 C ATOM 1525 O ASP A 96 -0.307 -11.817 16.573 1.00 0.00 O ATOM 1526 CB ASP A 96 1.046 -13.531 13.907 1.00 0.00 C ATOM 1527 CG ASP A 96 2.268 -13.405 14.843 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.707 -12.284 15.108 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.792 -14.436 15.316 1.00 0.00 O ATOM 0 H ASP A 96 1.129 -11.041 13.794 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.023 -12.943 13.720 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.714 -14.569 13.900 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.355 -13.288 12.890 1.00 0.00 H new ATOM 1534 N ALA A 97 -0.906 -13.980 16.186 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.288 -14.299 17.572 1.00 0.00 C ATOM 1536 C ALA A 97 -0.134 -14.055 18.571 1.00 0.00 C ATOM 1537 O ALA A 97 -0.372 -13.653 19.708 1.00 0.00 O ATOM 1538 CB ALA A 97 -1.778 -15.750 17.648 1.00 0.00 C ATOM 0 H ALA A 97 -0.993 -14.770 15.547 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.096 -13.626 17.861 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.061 -15.985 18.674 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.642 -15.877 16.996 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.980 -16.421 17.328 1.00 0.00 H new ATOM 1544 N ALA A 98 1.116 -14.264 18.112 1.00 0.00 N ATOM 1545 CA ALA A 98 2.324 -14.161 18.962 1.00 0.00 C ATOM 1546 C ALA A 98 2.949 -12.742 18.953 1.00 0.00 C ATOM 1547 O ALA A 98 3.877 -12.481 19.730 1.00 0.00 O ATOM 1548 CB ALA A 98 3.369 -15.205 18.523 1.00 0.00 C ATOM 0 H ALA A 98 1.319 -14.509 17.143 1.00 0.00 H new ATOM 0 HA ALA A 98 2.010 -14.360 19.987 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.254 -15.122 19.154 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.947 -16.205 18.620 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.646 -15.028 17.484 1.00 0.00 H new ATOM 1554 N ARG A 99 2.458 -11.850 18.049 1.00 0.00 N ATOM 1555 CA ARG A 99 2.951 -10.448 17.901 1.00 0.00 C ATOM 1556 C ARG A 99 4.445 -10.417 17.476 1.00 0.00 C ATOM 1557 O ARG A 99 5.174 -9.475 17.793 1.00 0.00 O ATOM 1558 CB ARG A 99 2.691 -9.588 19.198 1.00 0.00 C ATOM 1559 CG ARG A 99 1.245 -9.033 19.371 1.00 0.00 C ATOM 1560 CD ARG A 99 0.171 -10.129 19.472 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.177 -9.570 19.672 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.315 -10.076 19.183 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.312 -11.134 18.392 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.452 -9.491 19.476 1.00 0.00 N ATOM 0 H ARG A 99 1.707 -12.082 17.399 1.00 0.00 H new ATOM 0 HA ARG A 99 2.374 -9.986 17.100 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.931 -10.198 20.069 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.384 -8.747 19.197 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.207 -8.416 20.268 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.011 -8.384 18.527 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.182 -10.731 18.563 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.412 -10.797 20.299 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.249 -8.721 20.233 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.430 -11.582 18.143 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.192 -11.503 18.031 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.461 -8.661 20.069 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.327 -9.866 19.110 1.00 0.00 H new ATOM 1578 N THR A 100 4.877 -11.447 16.733 1.00 0.00 N ATOM 1579 CA THR A 100 6.260 -11.573 16.226 1.00 0.00 C ATOM 1580 C THR A 100 6.374 -11.179 14.735 1.00 0.00 C ATOM 1581 O THR A 100 7.487 -10.952 14.232 1.00 0.00 O ATOM 1582 CB THR A 100 6.772 -13.036 16.443 1.00 0.00 C ATOM 1583 OG1 THR A 100 5.847 -13.982 15.863 1.00 0.00 O ATOM 1584 CG2 THR A 100 6.955 -13.354 17.942 1.00 0.00 C ATOM 0 H THR A 100 4.275 -12.224 16.463 1.00 0.00 H new ATOM 0 HA THR A 100 6.884 -10.879 16.789 1.00 0.00 H new ATOM 0 HB THR A 100 7.741 -13.120 15.951 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.179 -14.893 16.004 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.311 -14.378 18.056 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.682 -12.666 18.374 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.001 -13.243 18.457 1.00 0.00 H new ATOM 1592 N ARG A 101 5.211 -11.049 14.053 1.00 0.00 N ATOM 1593 CA ARG A 101 5.135 -10.848 12.586 1.00 0.00 C ATOM 1594 C ARG A 101 3.700 -10.454 12.139 1.00 0.00 C ATOM 1595 O ARG A 101 2.723 -10.939 12.679 1.00 0.00 O ATOM 1596 CB ARG A 101 5.714 -12.101 11.810 1.00 0.00 C ATOM 1597 CG ARG A 101 5.358 -13.509 12.376 1.00 0.00 C ATOM 1598 CD ARG A 101 4.063 -14.099 11.812 1.00 0.00 C ATOM 1599 NE ARG A 101 3.669 -15.331 12.517 1.00 0.00 N ATOM 1600 CZ ARG A 101 3.089 -16.408 11.967 1.00 0.00 C ATOM 1601 NH1 ARG A 101 2.894 -16.501 10.649 1.00 0.00 N ATOM 1602 NH2 ARG A 101 2.742 -17.419 12.745 1.00 0.00 N ATOM 0 H ARG A 101 4.297 -11.081 14.506 1.00 0.00 H new ATOM 0 HA ARG A 101 5.771 -10.003 12.320 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.365 -12.052 10.779 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.800 -12.011 11.783 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.180 -14.193 12.163 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.272 -13.442 13.461 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.263 -13.363 11.893 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.193 -14.313 10.751 1.00 0.00 H new ATOM 0 HE ARG A 101 3.855 -15.369 13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.189 -15.742 10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.450 -17.331 10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.916 -17.373 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.300 -18.245 12.341 1.00 0.00 H new ATOM 1616 N LEU A 102 3.596 -9.557 11.137 1.00 0.00 N ATOM 1617 CA LEU A 102 2.304 -9.028 10.627 1.00 0.00 C ATOM 1618 C LEU A 102 1.929 -9.729 9.320 1.00 0.00 C ATOM 1619 O LEU A 102 2.793 -9.979 8.473 1.00 0.00 O ATOM 1620 CB LEU A 102 2.389 -7.479 10.351 1.00 0.00 C ATOM 1621 CG LEU A 102 2.014 -6.507 11.510 1.00 0.00 C ATOM 1622 CD1 LEU A 102 2.986 -6.615 12.680 1.00 0.00 C ATOM 1623 CD2 LEU A 102 1.921 -5.045 11.011 1.00 0.00 C ATOM 0 H LEU A 102 4.408 -9.174 10.653 1.00 0.00 H new ATOM 0 HA LEU A 102 1.549 -9.216 11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.409 -7.251 10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.740 -7.255 9.504 1.00 0.00 H new ATOM 0 HG LEU A 102 1.030 -6.808 11.870 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.688 -5.921 13.466 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.973 -7.632 13.071 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.992 -6.369 12.341 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.658 -4.392 11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.883 -4.739 10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.157 -4.973 10.237 1.00 0.00 H new ATOM 1635 N GLU A 103 0.633 -10.046 9.172 1.00 0.00 N ATOM 1636 CA GLU A 103 0.057 -10.413 7.884 1.00 0.00 C ATOM 1637 C GLU A 103 -0.367 -9.127 7.169 1.00 0.00 C ATOM 1638 O GLU A 103 -1.302 -8.429 7.612 1.00 0.00 O ATOM 1639 CB GLU A 103 -1.183 -11.332 8.029 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.783 -11.772 6.667 1.00 0.00 C ATOM 1641 CD GLU A 103 -3.135 -12.494 6.780 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -4.174 -11.810 6.850 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -3.172 -13.742 6.799 1.00 0.00 O ATOM 0 H GLU A 103 -0.036 -10.053 9.942 1.00 0.00 H new ATOM 0 HA GLU A 103 0.810 -10.964 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.905 -12.218 8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.948 -10.810 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.905 -10.892 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.073 -12.429 6.165 1.00 0.00 H new ATOM 1650 N ILE A 104 0.357 -8.791 6.106 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.005 -7.697 5.209 1.00 0.00 C ATOM 1652 C ILE A 104 -0.770 -8.286 4.016 1.00 0.00 C ATOM 1653 O ILE A 104 -0.173 -8.941 3.154 1.00 0.00 O ATOM 1654 CB ILE A 104 1.272 -6.921 4.700 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.230 -6.564 5.877 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.875 -5.651 3.907 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.605 -5.723 6.971 1.00 0.00 C ATOM 0 H ILE A 104 1.216 -9.272 5.841 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.627 -6.983 5.749 1.00 0.00 H new ATOM 0 HB ILE A 104 1.810 -7.586 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.603 -7.489 6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.093 -6.031 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.775 -5.137 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.273 -5.934 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.297 -4.987 4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.346 -5.525 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.258 -4.779 6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.761 -6.259 7.405 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.100 -8.106 3.996 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.919 -8.522 2.850 1.00 0.00 C ATOM 1671 C LEU A 105 -2.859 -7.409 1.793 1.00 0.00 C ATOM 1672 O LEU A 105 -2.937 -6.219 2.114 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.394 -8.867 3.242 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.347 -7.681 3.615 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.815 -8.138 3.643 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.954 -7.012 4.950 1.00 0.00 C ATOM 0 H LEU A 105 -2.627 -7.677 4.757 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.512 -9.449 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.844 -9.409 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.364 -9.552 4.090 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.236 -6.929 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.454 -7.294 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.097 -8.516 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.936 -8.928 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.644 -6.196 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.000 -7.748 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.940 -6.619 4.876 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.720 -7.816 0.546 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.502 -6.919 -0.591 1.00 0.00 C ATOM 1690 C CYS A 106 -3.117 -7.543 -1.836 1.00 0.00 C ATOM 1691 O CYS A 106 -3.670 -8.636 -1.782 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.988 -6.629 -0.805 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.199 -5.766 0.570 1.00 0.00 S ATOM 0 H CYS A 106 -2.755 -8.800 0.281 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.983 -5.962 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.469 -7.573 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.868 -6.034 -1.710 1.00 0.00 H new ATOM 0 HG CYS A 106 -1.067 -5.576 1.518 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.087 -6.797 -2.925 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.457 -7.281 -4.259 1.00 0.00 C ATOM 1701 C ARG A 107 -2.773 -6.398 -5.292 1.00 0.00 C ATOM 1702 O ARG A 107 -2.356 -5.288 -4.961 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.006 -7.242 -4.436 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.535 -7.826 -5.761 1.00 0.00 C ATOM 1705 CD ARG A 107 -7.058 -8.002 -5.789 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.448 -8.837 -6.932 1.00 0.00 N ATOM 1707 CZ ARG A 107 -8.659 -8.911 -7.484 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -9.672 -8.182 -7.039 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -8.841 -9.726 -8.506 1.00 0.00 N ATOM 0 H ARG A 107 -2.801 -5.818 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.135 -8.314 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.463 -7.787 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.338 -6.207 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.238 -7.172 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.063 -8.792 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.396 -8.462 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.543 -7.028 -5.857 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.719 -9.419 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.536 -7.544 -6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.588 -8.259 -7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.063 -10.284 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.760 -9.798 -8.943 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.635 -6.892 -6.534 1.00 0.00 N ATOM 1724 CA GLU A 108 -2.233 -6.044 -7.667 1.00 0.00 C ATOM 1725 C GLU A 108 -3.318 -4.965 -7.822 1.00 0.00 C ATOM 1726 O GLU A 108 -4.415 -5.236 -8.317 1.00 0.00 O ATOM 1727 CB GLU A 108 -2.033 -6.906 -8.957 1.00 0.00 C ATOM 1728 CG GLU A 108 -1.220 -6.229 -10.096 1.00 0.00 C ATOM 1729 CD GLU A 108 -2.027 -5.284 -11.018 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -2.225 -4.107 -10.671 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -2.460 -5.720 -12.103 1.00 0.00 O ATOM 0 H GLU A 108 -2.795 -7.869 -6.777 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.271 -5.562 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.532 -7.833 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.014 -7.178 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.403 -5.662 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.768 -7.009 -10.709 1.00 0.00 H new ATOM 1738 N GLY A 109 -3.011 -3.758 -7.315 1.00 0.00 N ATOM 1739 CA GLY A 109 -4.014 -2.717 -7.098 1.00 0.00 C ATOM 1740 C GLY A 109 -4.070 -1.708 -8.222 1.00 0.00 C ATOM 1741 O GLY A 109 -3.948 -0.503 -7.976 1.00 0.00 O ATOM 0 H GLY A 109 -2.065 -3.484 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.993 -3.182 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.797 -2.200 -6.163 1.00 0.00 H new