USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.23) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -0.0763 K(o=-0.076,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.0421 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= 0.428 K(o=0.43,f=-1.5) USER MOD Single : A 57 SER OG : rot 38:sc= 0.109 USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.503) USER MOD Single : A 72 CYS SG : rot -155:sc= 0.207 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.247 K(o=0.25,f=-4.8!) USER MOD Single : A 78 ASN : amide:sc= 1.52 K(o=1.5,f=-3.8!) USER MOD Single : A 79 SER OG : rot 180:sc= 0.42 USER MOD Single : A 82 HIS : no HE2:sc= 0.707 K(o=0.71,f=-3.7!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 1.21 K(o=1.2,f=-1.8) USER MOD Single : A 94 SER OG : rot 87:sc= 1.33 USER MOD Single : A 95 SER OG : rot 78:sc= 0.88 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 167:sc= -0.0257 (180deg=-0.253) USER MOD Single : A 102 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.12) USER MOD Single : A 103 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.22) USER MOD Single : A 104 MET CE :methyl 179:sc= -0.188 (180deg=-0.193) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 54:sc= 1.3 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.367 K(o=0.37,f=-0.41) USER MOD Single : A 113 CYS SG : rot -21:sc= 0.73 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 71:sc= 1.58 USER MOD Single : A 119 GLN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 18:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 2.773 -2.224 1.614 1.00 0.00 N ATOM 90 CA GLU A 7 3.741 -1.751 2.620 1.00 0.00 C ATOM 91 C GLU A 7 3.012 -1.228 3.876 1.00 0.00 C ATOM 92 O GLU A 7 2.662 -0.041 3.925 1.00 0.00 O ATOM 93 CB GLU A 7 4.644 -0.655 2.017 1.00 0.00 C ATOM 94 CG GLU A 7 5.573 -1.186 0.917 1.00 0.00 C ATOM 95 CD GLU A 7 6.522 -0.084 0.425 1.00 0.00 C ATOM 96 OE1 GLU A 7 6.138 0.690 -0.486 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.655 0.025 0.950 1.00 0.00 O ATOM 0 HA GLU A 7 4.368 -2.591 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.019 0.138 1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.245 -0.210 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.152 -2.027 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.979 -1.560 0.083 1.00 0.00 H new ATOM 104 N PRO A 8 2.762 -2.088 4.887 1.00 0.00 N ATOM 105 CA PRO A 8 2.164 -1.688 6.157 1.00 0.00 C ATOM 106 C PRO A 8 3.210 -1.063 7.097 1.00 0.00 C ATOM 107 O PRO A 8 4.386 -1.429 7.076 1.00 0.00 O ATOM 108 CB PRO A 8 1.569 -2.975 6.731 1.00 0.00 C ATOM 109 CG PRO A 8 2.544 -4.046 6.245 1.00 0.00 C ATOM 110 CD PRO A 8 2.965 -3.533 4.867 1.00 0.00 C ATOM 0 HA PRO A 8 1.403 -0.918 6.031 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.512 -2.944 7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.558 -3.152 6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.398 -4.148 6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.069 -5.025 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.008 -3.776 4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.370 -3.998 4.081 1.00 0.00 H new ATOM 118 N LYS A 9 2.754 -0.130 7.943 1.00 0.00 N ATOM 119 CA LYS A 9 3.557 0.652 8.906 1.00 0.00 C ATOM 120 C LYS A 9 2.646 1.333 9.965 1.00 0.00 C ATOM 121 O LYS A 9 1.440 1.450 9.711 1.00 0.00 O ATOM 122 CB LYS A 9 4.535 1.593 8.155 1.00 0.00 C ATOM 123 CG LYS A 9 3.949 2.842 7.478 1.00 0.00 C ATOM 124 CD LYS A 9 3.103 2.524 6.234 1.00 0.00 C ATOM 125 CE LYS A 9 2.944 3.735 5.299 1.00 0.00 C ATOM 126 NZ LYS A 9 2.287 4.898 5.954 1.00 0.00 N ATOM 0 H LYS A 9 1.765 0.116 7.980 1.00 0.00 H new ATOM 0 HA LYS A 9 4.197 -0.010 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.295 1.922 8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.045 1.006 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.334 3.381 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.764 3.508 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.566 1.704 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.117 2.181 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.926 4.038 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.360 3.439 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.086 5.629 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.397 4.591 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.918 5.288 6.683 1.00 0.00 H new ATOM 140 N PRO A 10 3.157 1.748 11.150 1.00 0.00 N ATOM 141 CA PRO A 10 2.313 2.186 12.265 1.00 0.00 C ATOM 142 C PRO A 10 1.554 3.475 11.962 1.00 0.00 C ATOM 143 O PRO A 10 2.059 4.379 11.293 1.00 0.00 O ATOM 144 CB PRO A 10 3.223 2.303 13.489 1.00 0.00 C ATOM 145 CG PRO A 10 4.593 2.569 12.878 1.00 0.00 C ATOM 146 CD PRO A 10 4.554 1.779 11.570 1.00 0.00 C ATOM 0 HA PRO A 10 1.524 1.457 12.452 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.911 3.114 14.147 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.218 1.390 14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.755 3.632 12.701 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.397 2.228 13.530 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.177 2.252 10.811 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.939 0.769 11.714 1.00 0.00 H new ATOM 154 N GLY A 11 0.324 3.526 12.481 1.00 0.00 N ATOM 155 CA GLY A 11 -0.604 4.646 12.317 1.00 0.00 C ATOM 156 C GLY A 11 -1.631 4.458 11.208 1.00 0.00 C ATOM 157 O GLY A 11 -2.524 5.291 11.091 1.00 0.00 O ATOM 0 H GLY A 11 -0.063 2.768 13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.130 4.807 13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.030 5.550 12.114 1.00 0.00 H new ATOM 161 N ASP A 12 -1.562 3.377 10.436 1.00 0.00 N ATOM 162 CA ASP A 12 -2.562 3.013 9.431 1.00 0.00 C ATOM 163 C ASP A 12 -3.290 1.708 9.789 1.00 0.00 C ATOM 164 O ASP A 12 -2.781 0.860 10.529 1.00 0.00 O ATOM 165 CB ASP A 12 -1.901 2.890 8.053 1.00 0.00 C ATOM 166 CG ASP A 12 -1.320 4.220 7.554 1.00 0.00 C ATOM 167 OD1 ASP A 12 -2.072 5.222 7.485 1.00 0.00 O ATOM 168 OD2 ASP A 12 -0.119 4.248 7.191 1.00 0.00 O ATOM 0 H ASP A 12 -0.791 2.712 10.492 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.309 3.807 9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.106 2.146 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.635 2.526 7.334 1.00 0.00 H new ATOM 173 N LEU A 13 -4.490 1.551 9.229 1.00 0.00 N ATOM 174 CA LEU A 13 -5.257 0.309 9.258 1.00 0.00 C ATOM 175 C LEU A 13 -5.297 -0.345 7.874 1.00 0.00 C ATOM 176 O LEU A 13 -5.021 0.254 6.836 1.00 0.00 O ATOM 177 CB LEU A 13 -6.661 0.498 9.862 1.00 0.00 C ATOM 178 CG LEU A 13 -7.509 1.575 9.163 1.00 0.00 C ATOM 179 CD1 LEU A 13 -8.966 1.115 9.043 1.00 0.00 C ATOM 180 CD2 LEU A 13 -7.459 2.913 9.918 1.00 0.00 C ATOM 0 H LEU A 13 -4.966 2.303 8.731 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.738 -0.378 9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.194 -0.452 9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.559 0.759 10.915 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.088 1.724 8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.552 1.888 8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.010 0.195 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.373 0.934 10.038 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.069 3.649 9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.843 2.775 10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.429 3.265 9.967 1.00 0.00 H new ATOM 192 N ILE A 14 -5.595 -1.634 7.896 1.00 0.00 N ATOM 193 CA ILE A 14 -5.303 -2.591 6.834 1.00 0.00 C ATOM 194 C ILE A 14 -6.541 -3.471 6.664 1.00 0.00 C ATOM 195 O ILE A 14 -7.051 -3.999 7.652 1.00 0.00 O ATOM 196 CB ILE A 14 -4.064 -3.438 7.221 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.886 -2.592 7.771 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.593 -4.256 6.003 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.735 -3.420 8.346 1.00 0.00 C ATOM 0 H ILE A 14 -6.069 -2.064 8.690 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.075 -2.086 5.896 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.377 -4.099 8.029 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.501 -1.962 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.263 -1.926 8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.722 -4.850 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.395 -4.918 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.328 -3.579 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.953 -2.753 8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.103 -4.031 9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.328 -4.067 7.569 1.00 0.00 H new ATOM 211 N GLU A 15 -7.023 -3.621 5.434 1.00 0.00 N ATOM 212 CA GLU A 15 -8.107 -4.536 5.087 1.00 0.00 C ATOM 213 C GLU A 15 -7.504 -5.913 4.785 1.00 0.00 C ATOM 214 O GLU A 15 -6.623 -6.038 3.932 1.00 0.00 O ATOM 215 CB GLU A 15 -8.871 -3.980 3.877 1.00 0.00 C ATOM 216 CG GLU A 15 -10.191 -4.714 3.637 1.00 0.00 C ATOM 217 CD GLU A 15 -10.848 -4.236 2.332 1.00 0.00 C ATOM 218 OE1 GLU A 15 -10.344 -4.583 1.238 1.00 0.00 O ATOM 219 OE2 GLU A 15 -11.875 -3.521 2.393 1.00 0.00 O ATOM 0 H GLU A 15 -6.664 -3.100 4.634 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.812 -4.636 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.070 -2.920 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.246 -4.060 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.012 -5.788 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.867 -4.541 4.475 1.00 0.00 H new ATOM 226 N ILE A 16 -7.971 -6.947 5.482 1.00 0.00 N ATOM 227 CA ILE A 16 -7.518 -8.341 5.405 1.00 0.00 C ATOM 228 C ILE A 16 -8.680 -9.208 4.914 1.00 0.00 C ATOM 229 O ILE A 16 -9.796 -9.076 5.422 1.00 0.00 O ATOM 230 CB ILE A 16 -7.095 -8.839 6.816 1.00 0.00 C ATOM 231 CG1 ILE A 16 -6.335 -7.825 7.709 1.00 0.00 C ATOM 232 CG2 ILE A 16 -6.294 -10.144 6.681 1.00 0.00 C ATOM 233 CD1 ILE A 16 -5.009 -7.308 7.157 1.00 0.00 C ATOM 0 H ILE A 16 -8.724 -6.830 6.160 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.670 -8.408 4.724 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.033 -8.998 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.988 -6.971 7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.146 -8.293 8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.998 -10.493 7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.912 -10.902 6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.404 -9.964 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.568 -6.607 7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.328 -8.145 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.183 -6.803 6.207 1.00 0.00 H new ATOM 245 N PHE A 17 -8.443 -10.153 4.001 1.00 0.00 N ATOM 246 CA PHE A 17 -9.439 -11.171 3.642 1.00 0.00 C ATOM 247 C PHE A 17 -9.427 -12.298 4.702 1.00 0.00 C ATOM 248 O PHE A 17 -9.082 -13.447 4.429 1.00 0.00 O ATOM 249 CB PHE A 17 -9.189 -11.630 2.196 1.00 0.00 C ATOM 250 CG PHE A 17 -10.321 -12.458 1.615 1.00 0.00 C ATOM 251 CD1 PHE A 17 -11.538 -11.838 1.271 1.00 0.00 C ATOM 252 CD2 PHE A 17 -10.165 -13.845 1.422 1.00 0.00 C ATOM 253 CE1 PHE A 17 -12.586 -12.595 0.717 1.00 0.00 C ATOM 254 CE2 PHE A 17 -11.215 -14.603 0.872 1.00 0.00 C ATOM 255 CZ PHE A 17 -12.423 -13.976 0.516 1.00 0.00 C ATOM 0 H PHE A 17 -7.563 -10.236 3.492 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.453 -10.772 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.032 -10.753 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.269 -12.214 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.667 -10.778 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.238 -14.327 1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.515 -12.115 0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.094 -15.666 0.723 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.226 -14.557 0.088 1.00 0.00 H new ATOM 265 N ARG A 18 -9.758 -11.937 5.951 1.00 0.00 N ATOM 266 CA ARG A 18 -9.605 -12.764 7.161 1.00 0.00 C ATOM 267 C ARG A 18 -10.332 -14.114 7.126 1.00 0.00 C ATOM 268 O ARG A 18 -9.762 -15.119 7.555 1.00 0.00 O ATOM 269 CB ARG A 18 -10.036 -11.912 8.377 1.00 0.00 C ATOM 270 CG ARG A 18 -9.924 -12.590 9.756 1.00 0.00 C ATOM 271 CD ARG A 18 -8.539 -13.173 10.053 1.00 0.00 C ATOM 272 NE ARG A 18 -8.487 -13.799 11.389 1.00 0.00 N ATOM 273 CZ ARG A 18 -7.505 -14.565 11.858 1.00 0.00 C ATOM 274 NH1 ARG A 18 -6.417 -14.802 11.160 1.00 0.00 N ATOM 275 NH2 ARG A 18 -7.599 -15.102 13.055 1.00 0.00 N ATOM 0 H ARG A 18 -10.157 -11.021 6.156 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.555 -13.048 7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.432 -11.005 8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.071 -11.604 8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.174 -11.863 10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.664 -13.388 9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.285 -13.913 9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.790 -12.383 9.991 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.278 -13.628 12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.308 -14.394 10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.682 -15.394 11.547 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.426 -14.932 13.627 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.845 -15.689 13.411 1.00 0.00 H new ATOM 289 N LEU A 19 -11.592 -14.131 6.681 1.00 0.00 N ATOM 290 CA LEU A 19 -12.547 -15.191 7.050 1.00 0.00 C ATOM 291 C LEU A 19 -13.542 -15.534 5.918 1.00 0.00 C ATOM 292 O LEU A 19 -14.687 -15.915 6.166 1.00 0.00 O ATOM 293 CB LEU A 19 -13.210 -14.759 8.389 1.00 0.00 C ATOM 294 CG LEU A 19 -12.666 -15.523 9.616 1.00 0.00 C ATOM 295 CD1 LEU A 19 -13.171 -14.852 10.903 1.00 0.00 C ATOM 296 CD2 LEU A 19 -13.092 -17.001 9.616 1.00 0.00 C ATOM 0 H LEU A 19 -11.980 -13.420 6.061 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.031 -16.139 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.052 -13.691 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.286 -14.916 8.320 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.578 -15.489 9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.787 -15.391 11.769 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.824 -13.819 10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.261 -14.869 10.919 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.686 -17.497 10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.180 -17.066 9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.713 -17.489 8.718 1.00 0.00 H new ATOM 308 N GLY A 20 -13.116 -15.352 4.661 1.00 0.00 N ATOM 309 CA GLY A 20 -13.979 -15.417 3.469 1.00 0.00 C ATOM 310 C GLY A 20 -14.660 -14.080 3.144 1.00 0.00 C ATOM 311 O GLY A 20 -15.389 -13.979 2.157 1.00 0.00 O ATOM 0 H GLY A 20 -12.141 -15.151 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.382 -15.731 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.743 -16.179 3.622 1.00 0.00 H new ATOM 315 N TYR A 21 -14.406 -13.060 3.969 1.00 0.00 N ATOM 316 CA TYR A 21 -14.867 -11.675 3.843 1.00 0.00 C ATOM 317 C TYR A 21 -13.774 -10.700 4.317 1.00 0.00 C ATOM 318 O TYR A 21 -12.912 -11.055 5.128 1.00 0.00 O ATOM 319 CB TYR A 21 -16.140 -11.471 4.684 1.00 0.00 C ATOM 320 CG TYR A 21 -17.321 -12.338 4.286 1.00 0.00 C ATOM 321 CD1 TYR A 21 -18.156 -11.948 3.221 1.00 0.00 C ATOM 322 CD2 TYR A 21 -17.581 -13.539 4.979 1.00 0.00 C ATOM 323 CE1 TYR A 21 -19.248 -12.753 2.844 1.00 0.00 C ATOM 324 CE2 TYR A 21 -18.672 -14.347 4.607 1.00 0.00 C ATOM 325 CZ TYR A 21 -19.509 -13.958 3.538 1.00 0.00 C ATOM 326 OH TYR A 21 -20.562 -14.745 3.180 1.00 0.00 O ATOM 0 H TYR A 21 -13.832 -13.190 4.802 1.00 0.00 H new ATOM 0 HA TYR A 21 -15.087 -11.475 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -15.901 -11.667 5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -16.438 -10.425 4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -17.958 -11.028 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -16.942 -13.839 5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -19.885 -12.451 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -18.869 -15.266 5.140 1.00 0.00 H new ATOM 0 HH TYR A 21 -20.593 -15.534 3.761 1.00 0.00 H new ATOM 336 N GLU A 22 -13.825 -9.468 3.818 1.00 0.00 N ATOM 337 CA GLU A 22 -12.941 -8.364 4.187 1.00 0.00 C ATOM 338 C GLU A 22 -13.156 -7.924 5.649 1.00 0.00 C ATOM 339 O GLU A 22 -14.292 -7.737 6.092 1.00 0.00 O ATOM 340 CB GLU A 22 -13.167 -7.166 3.247 1.00 0.00 C ATOM 341 CG GLU A 22 -13.032 -7.483 1.748 1.00 0.00 C ATOM 342 CD GLU A 22 -14.391 -7.774 1.083 1.00 0.00 C ATOM 343 OE1 GLU A 22 -15.039 -8.790 1.427 1.00 0.00 O ATOM 344 OE2 GLU A 22 -14.814 -6.986 0.203 1.00 0.00 O ATOM 0 H GLU A 22 -14.513 -9.199 3.115 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.915 -8.719 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.163 -6.763 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.454 -6.382 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.557 -6.642 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.376 -8.344 1.619 1.00 0.00 H new ATOM 351 N HIS A 23 -12.066 -7.735 6.395 1.00 0.00 N ATOM 352 CA HIS A 23 -12.065 -7.358 7.813 1.00 0.00 C ATOM 353 C HIS A 23 -10.798 -6.548 8.164 1.00 0.00 C ATOM 354 O HIS A 23 -9.730 -6.813 7.621 1.00 0.00 O ATOM 355 CB HIS A 23 -12.142 -8.653 8.639 1.00 0.00 C ATOM 356 CG HIS A 23 -12.373 -8.427 10.107 1.00 0.00 C ATOM 357 ND1 HIS A 23 -11.464 -7.930 11.013 1.00 0.00 N ATOM 358 CD2 HIS A 23 -13.531 -8.677 10.791 1.00 0.00 C ATOM 359 CE1 HIS A 23 -12.074 -7.859 12.204 1.00 0.00 C ATOM 360 NE2 HIS A 23 -13.341 -8.300 12.124 1.00 0.00 N ATOM 0 H HIS A 23 -11.125 -7.844 6.016 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.920 -6.720 8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.946 -9.275 8.246 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.215 -9.211 8.509 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -10.500 -7.664 10.814 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.436 -9.094 10.374 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.609 -7.496 13.108 1.00 0.00 H new ATOM 368 N TRP A 24 -10.876 -5.577 9.081 1.00 0.00 N ATOM 369 CA TRP A 24 -9.757 -4.661 9.362 1.00 0.00 C ATOM 370 C TRP A 24 -8.769 -5.127 10.449 1.00 0.00 C ATOM 371 O TRP A 24 -9.099 -5.946 11.310 1.00 0.00 O ATOM 372 CB TRP A 24 -10.305 -3.290 9.773 1.00 0.00 C ATOM 373 CG TRP A 24 -11.392 -2.724 8.922 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.699 -2.747 9.246 1.00 0.00 C ATOM 375 CD2 TRP A 24 -11.309 -2.042 7.632 1.00 0.00 C ATOM 376 NE1 TRP A 24 -13.439 -2.160 8.244 1.00 0.00 N ATOM 377 CE2 TRP A 24 -12.633 -1.688 7.229 1.00 0.00 C ATOM 378 CE3 TRP A 24 -10.255 -1.684 6.764 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -12.896 -1.010 6.029 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -10.509 -0.993 5.563 1.00 0.00 C ATOM 381 CH2 TRP A 24 -11.824 -0.660 5.193 1.00 0.00 C ATOM 0 H TRP A 24 -11.707 -5.402 9.646 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.191 -4.626 8.431 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.676 -3.364 10.795 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.477 -2.581 9.784 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.106 -3.164 10.156 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -14.456 -2.084 8.251 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -9.239 -1.944 7.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.910 -0.761 5.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.686 -0.716 4.921 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -12.009 -0.136 4.267 1.00 0.00 H new ATOM 392 N ALA A 25 -7.587 -4.503 10.452 1.00 0.00 N ATOM 393 CA ALA A 25 -6.547 -4.570 11.483 1.00 0.00 C ATOM 394 C ALA A 25 -5.773 -3.232 11.539 1.00 0.00 C ATOM 395 O ALA A 25 -5.455 -2.671 10.492 1.00 0.00 O ATOM 396 CB ALA A 25 -5.625 -5.758 11.166 1.00 0.00 C ATOM 0 H ALA A 25 -7.313 -3.895 9.680 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.988 -4.725 12.468 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.844 -5.824 11.923 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.207 -6.680 11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.170 -5.614 10.186 1.00 0.00 H new ATOM 402 N LEU A 26 -5.479 -2.709 12.736 1.00 0.00 N ATOM 403 CA LEU A 26 -4.774 -1.436 12.983 1.00 0.00 C ATOM 404 C LEU A 26 -3.326 -1.734 13.402 1.00 0.00 C ATOM 405 O LEU A 26 -3.114 -2.338 14.448 1.00 0.00 O ATOM 406 CB LEU A 26 -5.562 -0.690 14.090 1.00 0.00 C ATOM 407 CG LEU A 26 -5.219 0.782 14.422 1.00 0.00 C ATOM 408 CD1 LEU A 26 -3.749 1.054 14.762 1.00 0.00 C ATOM 409 CD2 LEU A 26 -5.663 1.743 13.313 1.00 0.00 C ATOM 0 H LEU A 26 -5.737 -3.181 13.603 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.727 -0.810 12.092 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.617 -0.724 13.817 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.452 -1.264 15.010 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.788 0.969 15.333 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.616 2.114 14.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.463 0.467 15.634 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.122 0.775 13.915 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.401 2.764 13.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.162 1.480 12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.742 1.669 13.178 1.00 0.00 H new ATOM 421 N TYR A 27 -2.331 -1.307 12.621 1.00 0.00 N ATOM 422 CA TYR A 27 -0.901 -1.517 12.905 1.00 0.00 C ATOM 423 C TYR A 27 -0.405 -0.606 14.048 1.00 0.00 C ATOM 424 O TYR A 27 -0.323 0.614 13.895 1.00 0.00 O ATOM 425 CB TYR A 27 -0.139 -1.302 11.584 1.00 0.00 C ATOM 426 CG TYR A 27 1.170 -2.050 11.389 1.00 0.00 C ATOM 427 CD1 TYR A 27 2.390 -1.463 11.770 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.180 -3.272 10.688 1.00 0.00 C ATOM 429 CE1 TYR A 27 3.612 -2.019 11.344 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.398 -3.852 10.284 1.00 0.00 C ATOM 431 CZ TYR A 27 3.615 -3.198 10.565 1.00 0.00 C ATOM 432 OH TYR A 27 4.785 -3.713 10.091 1.00 0.00 O ATOM 0 H TYR A 27 -2.496 -0.795 11.755 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.721 -2.530 13.265 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.805 -1.574 10.765 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.067 -0.236 11.486 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.390 -0.581 12.393 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.248 -3.767 10.459 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.545 -1.545 11.612 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.400 -4.796 9.760 1.00 0.00 H new ATOM 0 HH TYR A 27 4.600 -4.526 9.577 1.00 0.00 H new ATOM 442 N ILE A 28 -0.074 -1.194 15.204 1.00 0.00 N ATOM 443 CA ILE A 28 0.358 -0.466 16.423 1.00 0.00 C ATOM 444 C ILE A 28 1.882 -0.425 16.626 1.00 0.00 C ATOM 445 O ILE A 28 2.379 0.431 17.359 1.00 0.00 O ATOM 446 CB ILE A 28 -0.316 -1.047 17.691 1.00 0.00 C ATOM 447 CG1 ILE A 28 -0.069 -2.564 17.876 1.00 0.00 C ATOM 448 CG2 ILE A 28 -1.818 -0.722 17.676 1.00 0.00 C ATOM 449 CD1 ILE A 28 -0.323 -3.047 19.311 1.00 0.00 C ATOM 0 H ILE A 28 -0.096 -2.206 15.330 1.00 0.00 H new ATOM 0 HA ILE A 28 0.033 0.562 16.265 1.00 0.00 H new ATOM 0 HB ILE A 28 0.149 -0.569 18.553 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.715 -3.117 17.194 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.960 -2.795 17.598 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.288 -1.133 18.570 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.956 0.359 17.657 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.277 -1.162 16.790 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.132 -4.118 19.373 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.341 -2.520 19.995 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.359 -2.847 19.584 1.00 0.00 H new ATOM 461 N GLY A 29 2.616 -1.340 15.991 1.00 0.00 N ATOM 462 CA GLY A 29 4.069 -1.492 16.089 1.00 0.00 C ATOM 463 C GLY A 29 4.581 -2.434 15.007 1.00 0.00 C ATOM 464 O GLY A 29 3.790 -2.933 14.215 1.00 0.00 O ATOM 0 H GLY A 29 2.195 -2.027 15.366 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.550 -0.519 15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.335 -1.880 17.072 1.00 0.00 H new ATOM 468 N ASP A 30 5.889 -2.685 14.953 1.00 0.00 N ATOM 469 CA ASP A 30 6.527 -3.407 13.842 1.00 0.00 C ATOM 470 C ASP A 30 6.035 -4.868 13.699 1.00 0.00 C ATOM 471 O ASP A 30 6.516 -5.790 14.363 1.00 0.00 O ATOM 472 CB ASP A 30 8.055 -3.315 13.980 1.00 0.00 C ATOM 473 CG ASP A 30 8.784 -3.988 12.804 1.00 0.00 C ATOM 474 OD1 ASP A 30 8.410 -3.723 11.636 1.00 0.00 O ATOM 475 OD2 ASP A 30 9.740 -4.761 13.051 1.00 0.00 O ATOM 0 H ASP A 30 6.542 -2.394 15.680 1.00 0.00 H new ATOM 0 HA ASP A 30 6.228 -2.922 12.913 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.351 -2.268 14.038 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.363 -3.785 14.914 1.00 0.00 H new ATOM 480 N GLY A 31 5.043 -5.059 12.824 1.00 0.00 N ATOM 481 CA GLY A 31 4.327 -6.311 12.574 1.00 0.00 C ATOM 482 C GLY A 31 3.203 -6.609 13.570 1.00 0.00 C ATOM 483 O GLY A 31 2.521 -7.614 13.406 1.00 0.00 O ATOM 0 H GLY A 31 4.699 -4.299 12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.906 -6.280 11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.041 -7.134 12.595 1.00 0.00 H new ATOM 487 N TYR A 32 2.988 -5.766 14.582 1.00 0.00 N ATOM 488 CA TYR A 32 1.947 -5.919 15.609 1.00 0.00 C ATOM 489 C TYR A 32 0.676 -5.120 15.269 1.00 0.00 C ATOM 490 O TYR A 32 0.747 -3.956 14.874 1.00 0.00 O ATOM 491 CB TYR A 32 2.499 -5.487 16.973 1.00 0.00 C ATOM 492 CG TYR A 32 3.541 -6.432 17.538 1.00 0.00 C ATOM 493 CD1 TYR A 32 3.135 -7.625 18.171 1.00 0.00 C ATOM 494 CD2 TYR A 32 4.913 -6.131 17.430 1.00 0.00 C ATOM 495 CE1 TYR A 32 4.090 -8.514 18.702 1.00 0.00 C ATOM 496 CE2 TYR A 32 5.875 -7.011 17.965 1.00 0.00 C ATOM 497 CZ TYR A 32 5.467 -8.203 18.607 1.00 0.00 C ATOM 498 OH TYR A 32 6.400 -9.056 19.113 1.00 0.00 O ATOM 0 H TYR A 32 3.552 -4.927 14.717 1.00 0.00 H new ATOM 0 HA TYR A 32 1.665 -6.971 15.644 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.936 -4.493 16.879 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.673 -5.407 17.680 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.084 -7.859 18.249 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.228 -5.224 16.936 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.772 -9.429 19.180 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.926 -6.775 17.885 1.00 0.00 H new ATOM 0 HH TYR A 32 7.296 -8.688 18.961 1.00 0.00 H new ATOM 508 N VAL A 33 -0.495 -5.729 15.474 1.00 0.00 N ATOM 509 CA VAL A 33 -1.804 -5.174 15.103 1.00 0.00 C ATOM 510 C VAL A 33 -2.865 -5.375 16.184 1.00 0.00 C ATOM 511 O VAL A 33 -2.819 -6.328 16.960 1.00 0.00 O ATOM 512 CB VAL A 33 -2.349 -5.772 13.779 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.525 -5.357 12.555 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.453 -7.307 13.793 1.00 0.00 C ATOM 0 H VAL A 33 -0.563 -6.647 15.914 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.619 -4.107 14.976 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.353 -5.355 13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.954 -5.805 11.659 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.537 -4.271 12.459 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.497 -5.699 12.676 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.841 -7.654 12.835 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.466 -7.737 13.962 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.126 -7.619 14.592 1.00 0.00 H new ATOM 524 N ILE A 34 -3.844 -4.470 16.202 1.00 0.00 N ATOM 525 CA ILE A 34 -5.087 -4.581 16.978 1.00 0.00 C ATOM 526 C ILE A 34 -6.195 -4.919 15.981 1.00 0.00 C ATOM 527 O ILE A 34 -6.303 -4.282 14.935 1.00 0.00 O ATOM 528 CB ILE A 34 -5.398 -3.266 17.733 1.00 0.00 C ATOM 529 CG1 ILE A 34 -4.314 -2.939 18.782 1.00 0.00 C ATOM 530 CG2 ILE A 34 -6.802 -3.293 18.370 1.00 0.00 C ATOM 531 CD1 ILE A 34 -4.278 -3.859 20.006 1.00 0.00 C ATOM 0 H ILE A 34 -3.795 -3.608 15.659 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.999 -5.355 17.740 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.389 -2.465 16.994 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.340 -2.974 18.294 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.462 -1.915 19.124 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.983 -2.353 18.891 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.552 -3.427 17.591 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.864 -4.118 19.079 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.481 -3.540 20.677 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.234 -3.808 20.528 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.094 -4.884 19.685 1.00 0.00 H new ATOM 543 N HIS A 35 -7.029 -5.905 16.280 1.00 0.00 N ATOM 544 CA HIS A 35 -8.140 -6.295 15.414 1.00 0.00 C ATOM 545 C HIS A 35 -9.316 -6.841 16.238 1.00 0.00 C ATOM 546 O HIS A 35 -9.133 -7.323 17.355 1.00 0.00 O ATOM 547 CB HIS A 35 -7.655 -7.339 14.390 1.00 0.00 C ATOM 548 CG HIS A 35 -7.385 -8.695 14.995 1.00 0.00 C ATOM 549 ND1 HIS A 35 -8.255 -9.764 15.021 1.00 0.00 N ATOM 550 CD2 HIS A 35 -6.267 -9.071 15.692 1.00 0.00 C ATOM 551 CE1 HIS A 35 -7.670 -10.758 15.711 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.447 -10.388 16.137 1.00 0.00 N ATOM 0 H HIS A 35 -6.956 -6.461 17.132 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.496 -5.414 14.880 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.405 -7.443 13.606 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.745 -6.974 13.914 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -9.180 -9.795 14.592 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.396 -8.458 15.868 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.119 -11.722 15.898 1.00 0.00 H new ATOM 560 N LEU A 36 -10.524 -6.787 15.671 1.00 0.00 N ATOM 561 CA LEU A 36 -11.685 -7.473 16.230 1.00 0.00 C ATOM 562 C LEU A 36 -11.626 -8.957 15.824 1.00 0.00 C ATOM 563 O LEU A 36 -11.159 -9.304 14.739 1.00 0.00 O ATOM 564 CB LEU A 36 -12.959 -6.761 15.715 1.00 0.00 C ATOM 565 CG LEU A 36 -14.291 -7.232 16.333 1.00 0.00 C ATOM 566 CD1 LEU A 36 -14.457 -6.688 17.758 1.00 0.00 C ATOM 567 CD2 LEU A 36 -15.471 -6.757 15.473 1.00 0.00 C ATOM 0 H LEU A 36 -10.721 -6.268 14.815 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.697 -7.435 17.319 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.854 -5.692 15.899 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.015 -6.895 14.635 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.276 -8.321 16.369 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.404 -7.034 18.172 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.637 -7.044 18.381 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.448 -5.598 17.735 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.406 -7.096 15.919 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.468 -5.668 15.420 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.378 -7.169 14.468 1.00 0.00 H new ATOM 579 N ALA A 37 -12.076 -9.840 16.706 1.00 0.00 N ATOM 580 CA ALA A 37 -12.332 -11.246 16.433 1.00 0.00 C ATOM 581 C ALA A 37 -13.853 -11.321 16.171 1.00 0.00 C ATOM 582 O ALA A 37 -14.617 -11.182 17.134 1.00 0.00 O ATOM 583 CB ALA A 37 -11.870 -12.072 17.643 1.00 0.00 C ATOM 0 H ALA A 37 -12.281 -9.584 17.672 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.792 -11.650 15.576 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.055 -13.129 17.454 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.804 -11.914 17.806 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.423 -11.760 18.529 1.00 0.00 H new ATOM 589 N PRO A 38 -14.306 -11.436 14.903 1.00 0.00 N ATOM 590 CA PRO A 38 -15.716 -11.283 14.546 1.00 0.00 C ATOM 591 C PRO A 38 -16.565 -12.516 14.906 1.00 0.00 C ATOM 592 O PRO A 38 -16.000 -13.587 15.156 1.00 0.00 O ATOM 593 CB PRO A 38 -15.715 -11.031 13.034 1.00 0.00 C ATOM 594 CG PRO A 38 -14.498 -11.815 12.555 1.00 0.00 C ATOM 595 CD PRO A 38 -13.502 -11.611 13.697 1.00 0.00 C ATOM 0 HA PRO A 38 -16.171 -10.466 15.106 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.633 -11.385 12.565 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.628 -9.970 12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.729 -12.869 12.402 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.115 -11.432 11.609 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.836 -12.469 13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.874 -10.739 13.516 1.00 0.00 H new ATOM 603 N PRO A 39 -17.911 -12.388 14.887 1.00 0.00 N ATOM 604 CA PRO A 39 -18.832 -13.508 15.057 1.00 0.00 C ATOM 605 C PRO A 39 -18.601 -14.602 14.009 1.00 0.00 C ATOM 606 O PRO A 39 -18.409 -14.319 12.829 1.00 0.00 O ATOM 607 CB PRO A 39 -20.246 -12.926 14.948 1.00 0.00 C ATOM 608 CG PRO A 39 -20.055 -11.444 15.261 1.00 0.00 C ATOM 609 CD PRO A 39 -18.668 -11.158 14.700 1.00 0.00 C ATOM 0 HA PRO A 39 -18.676 -13.988 16.023 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.664 -13.074 13.952 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -20.929 -13.399 15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.819 -10.828 14.786 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.107 -11.246 16.332 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -18.720 -10.885 13.646 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.198 -10.325 15.222 1.00 0.00 H new ATOM 842 N SER A 57 -20.928 -13.695 19.837 1.00 0.00 N ATOM 843 CA SER A 57 -20.034 -12.727 20.494 1.00 0.00 C ATOM 844 C SER A 57 -18.857 -12.275 19.594 1.00 0.00 C ATOM 845 O SER A 57 -18.560 -12.900 18.575 1.00 0.00 O ATOM 846 CB SER A 57 -19.492 -13.323 21.800 1.00 0.00 C ATOM 847 OG SER A 57 -20.551 -13.715 22.661 1.00 0.00 O ATOM 0 HA SER A 57 -20.630 -11.838 20.702 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.863 -14.185 21.577 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.862 -12.590 22.304 1.00 0.00 H new ATOM 0 HG SER A 57 -21.281 -14.095 22.129 1.00 0.00 H new ATOM 853 N ALA A 58 -18.153 -11.210 19.995 1.00 0.00 N ATOM 854 CA ALA A 58 -16.937 -10.697 19.351 1.00 0.00 C ATOM 855 C ALA A 58 -16.026 -10.010 20.388 1.00 0.00 C ATOM 856 O ALA A 58 -16.485 -9.648 21.473 1.00 0.00 O ATOM 857 CB ALA A 58 -17.353 -9.750 18.213 1.00 0.00 C ATOM 0 H ALA A 58 -18.425 -10.660 20.809 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.354 -11.514 18.925 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.462 -9.358 17.722 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.957 -10.296 17.488 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.935 -8.924 18.622 1.00 0.00 H new ATOM 863 N GLU A 59 -14.745 -9.804 20.078 1.00 0.00 N ATOM 864 CA GLU A 59 -13.762 -9.287 21.044 1.00 0.00 C ATOM 865 C GLU A 59 -12.601 -8.560 20.352 1.00 0.00 C ATOM 866 O GLU A 59 -12.105 -9.043 19.342 1.00 0.00 O ATOM 867 CB GLU A 59 -13.239 -10.461 21.891 1.00 0.00 C ATOM 868 CG GLU A 59 -12.400 -10.018 23.093 1.00 0.00 C ATOM 869 CD GLU A 59 -12.058 -11.232 23.967 1.00 0.00 C ATOM 870 OE1 GLU A 59 -12.893 -11.603 24.824 1.00 0.00 O ATOM 871 OE2 GLU A 59 -10.968 -11.823 23.783 1.00 0.00 O ATOM 0 H GLU A 59 -14.356 -9.989 19.153 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.253 -8.553 21.683 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.086 -11.049 22.245 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.638 -11.116 21.260 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.484 -9.536 22.751 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.949 -9.280 23.679 1.00 0.00 H new ATOM 878 N VAL A 60 -12.154 -7.418 20.882 1.00 0.00 N ATOM 879 CA VAL A 60 -10.957 -6.689 20.411 1.00 0.00 C ATOM 880 C VAL A 60 -9.696 -7.307 21.021 1.00 0.00 C ATOM 881 O VAL A 60 -9.615 -7.467 22.239 1.00 0.00 O ATOM 882 CB VAL A 60 -11.033 -5.184 20.744 1.00 0.00 C ATOM 883 CG1 VAL A 60 -9.755 -4.424 20.341 1.00 0.00 C ATOM 884 CG2 VAL A 60 -12.229 -4.550 20.022 1.00 0.00 C ATOM 0 H VAL A 60 -12.618 -6.959 21.666 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.916 -6.780 19.326 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.146 -5.106 21.825 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.862 -3.370 20.598 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.900 -4.842 20.873 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.597 -4.522 19.267 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.277 -3.488 20.261 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.112 -4.675 18.945 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.149 -5.037 20.346 1.00 0.00 H new ATOM 894 N LYS A 61 -8.714 -7.646 20.180 1.00 0.00 N ATOM 895 CA LYS A 61 -7.515 -8.421 20.545 1.00 0.00 C ATOM 896 C LYS A 61 -6.222 -7.870 19.898 1.00 0.00 C ATOM 897 O LYS A 61 -6.255 -7.223 18.847 1.00 0.00 O ATOM 898 CB LYS A 61 -7.737 -9.910 20.171 1.00 0.00 C ATOM 899 CG LYS A 61 -9.032 -10.489 20.778 1.00 0.00 C ATOM 900 CD LYS A 61 -9.192 -12.004 20.591 1.00 0.00 C ATOM 901 CE LYS A 61 -8.264 -12.874 21.455 1.00 0.00 C ATOM 902 NZ LYS A 61 -8.442 -12.642 22.917 1.00 0.00 N ATOM 0 H LYS A 61 -8.728 -7.382 19.195 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.371 -8.329 21.622 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.774 -10.006 19.086 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.885 -10.498 20.514 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.054 -10.262 21.844 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.888 -9.986 20.327 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.225 -12.274 20.811 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.016 -12.245 19.542 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.451 -13.925 21.234 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.228 -12.671 21.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.161 -13.495 23.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.849 -11.841 23.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.440 -12.427 23.115 1.00 0.00 H new ATOM 916 N ARG A 62 -5.074 -8.148 20.535 1.00 0.00 N ATOM 917 CA ARG A 62 -3.721 -7.864 20.021 1.00 0.00 C ATOM 918 C ARG A 62 -3.120 -9.130 19.390 1.00 0.00 C ATOM 919 O ARG A 62 -3.254 -10.221 19.947 1.00 0.00 O ATOM 920 CB ARG A 62 -2.829 -7.344 21.166 1.00 0.00 C ATOM 921 CG ARG A 62 -1.529 -6.692 20.655 1.00 0.00 C ATOM 922 CD ARG A 62 -0.548 -6.339 21.785 1.00 0.00 C ATOM 923 NE ARG A 62 -1.102 -5.358 22.742 1.00 0.00 N ATOM 924 CZ ARG A 62 -0.585 -5.050 23.930 1.00 0.00 C ATOM 925 NH1 ARG A 62 0.547 -5.574 24.352 1.00 0.00 N ATOM 926 NH2 ARG A 62 -1.206 -4.201 24.723 1.00 0.00 N ATOM 0 H ARG A 62 -5.059 -8.592 21.453 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.780 -7.095 19.251 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.388 -6.618 21.756 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.579 -8.171 21.831 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.040 -7.370 19.956 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.777 -5.787 20.101 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.277 -7.248 22.321 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.369 -5.939 21.352 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.957 -4.874 22.468 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.053 -6.236 23.764 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.918 -5.318 25.267 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.086 -3.777 24.428 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.807 -3.967 25.632 1.00 0.00 H new ATOM 940 N GLU A 63 -2.442 -8.982 18.252 1.00 0.00 N ATOM 941 CA GLU A 63 -1.885 -10.079 17.449 1.00 0.00 C ATOM 942 C GLU A 63 -0.842 -9.532 16.458 1.00 0.00 C ATOM 943 O GLU A 63 -0.701 -8.316 16.328 1.00 0.00 O ATOM 944 CB GLU A 63 -3.058 -10.797 16.744 1.00 0.00 C ATOM 945 CG GLU A 63 -2.732 -12.106 16.025 1.00 0.00 C ATOM 946 CD GLU A 63 -1.917 -13.059 16.915 1.00 0.00 C ATOM 947 OE1 GLU A 63 -2.510 -13.754 17.775 1.00 0.00 O ATOM 948 OE2 GLU A 63 -0.671 -13.078 16.784 1.00 0.00 O ATOM 0 H GLU A 63 -2.257 -8.064 17.847 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.363 -10.802 18.076 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.828 -11.001 17.488 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.490 -10.109 16.018 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.658 -12.595 15.722 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.172 -11.891 15.115 1.00 0.00 H new ATOM 955 N ARG A 64 -0.107 -10.391 15.747 1.00 0.00 N ATOM 956 CA ARG A 64 0.764 -9.985 14.636 1.00 0.00 C ATOM 957 C ARG A 64 0.063 -10.093 13.279 1.00 0.00 C ATOM 958 O ARG A 64 -0.703 -11.025 13.024 1.00 0.00 O ATOM 959 CB ARG A 64 2.073 -10.787 14.646 1.00 0.00 C ATOM 960 CG ARG A 64 2.956 -10.367 15.832 1.00 0.00 C ATOM 961 CD ARG A 64 4.346 -11.019 15.807 1.00 0.00 C ATOM 962 NE ARG A 64 5.089 -10.700 14.572 1.00 0.00 N ATOM 963 CZ ARG A 64 5.732 -9.586 14.257 1.00 0.00 C ATOM 964 NH1 ARG A 64 5.806 -8.546 15.061 1.00 0.00 N ATOM 965 NH2 ARG A 64 6.305 -9.540 13.077 1.00 0.00 N ATOM 0 H ARG A 64 -0.098 -11.395 15.926 1.00 0.00 H new ATOM 0 HA ARG A 64 1.004 -8.932 14.785 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.852 -11.853 14.709 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.610 -10.628 13.711 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.069 -9.283 15.827 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.454 -10.631 16.763 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.919 -10.682 16.671 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.240 -12.100 15.896 1.00 0.00 H new ATOM 0 HE ARG A 64 5.110 -11.436 13.867 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.355 -8.575 15.975 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.314 -7.711 14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.243 -10.341 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.812 -8.703 12.789 1.00 0.00 H new ATOM 979 N LEU A 65 0.363 -9.162 12.364 1.00 0.00 N ATOM 980 CA LEU A 65 -0.250 -9.076 11.029 1.00 0.00 C ATOM 981 C LEU A 65 -0.111 -10.398 10.269 1.00 0.00 C ATOM 982 O LEU A 65 -1.109 -10.912 9.778 1.00 0.00 O ATOM 983 CB LEU A 65 0.374 -7.888 10.261 1.00 0.00 C ATOM 984 CG LEU A 65 -0.200 -7.662 8.843 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.704 -7.345 8.850 1.00 0.00 C ATOM 986 CD2 LEU A 65 0.538 -6.505 8.164 1.00 0.00 C ATOM 0 H LEU A 65 1.054 -8.431 12.534 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.320 -8.896 11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.230 -6.979 10.846 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.449 -8.049 10.182 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.057 -8.594 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.049 -7.196 7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.249 -8.175 9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.882 -6.438 9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.130 -6.350 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.411 -5.597 8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.599 -6.744 8.090 1.00 0.00 H new ATOM 998 N GLU A 66 1.081 -10.998 10.269 1.00 0.00 N ATOM 999 CA GLU A 66 1.350 -12.297 9.633 1.00 0.00 C ATOM 1000 C GLU A 66 0.399 -13.423 10.096 1.00 0.00 C ATOM 1001 O GLU A 66 -0.004 -14.253 9.280 1.00 0.00 O ATOM 1002 CB GLU A 66 2.831 -12.673 9.843 1.00 0.00 C ATOM 1003 CG GLU A 66 3.231 -12.944 11.302 1.00 0.00 C ATOM 1004 CD GLU A 66 4.758 -12.975 11.471 1.00 0.00 C ATOM 1005 OE1 GLU A 66 5.402 -13.971 11.061 1.00 0.00 O ATOM 1006 OE2 GLU A 66 5.316 -12.003 12.036 1.00 0.00 O ATOM 0 H GLU A 66 1.902 -10.592 10.717 1.00 0.00 H new ATOM 0 HA GLU A 66 1.151 -12.187 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.053 -13.561 9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.454 -11.867 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.808 -12.172 11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.809 -13.895 11.625 1.00 0.00 H new ATOM 1013 N ASP A 67 -0.036 -13.419 11.366 1.00 0.00 N ATOM 1014 CA ASP A 67 -0.996 -14.392 11.904 1.00 0.00 C ATOM 1015 C ASP A 67 -2.445 -14.000 11.572 1.00 0.00 C ATOM 1016 O ASP A 67 -3.248 -14.861 11.212 1.00 0.00 O ATOM 1017 CB ASP A 67 -0.800 -14.516 13.420 1.00 0.00 C ATOM 1018 CG ASP A 67 -1.694 -15.619 14.008 1.00 0.00 C ATOM 1019 OD1 ASP A 67 -1.272 -16.801 13.988 1.00 0.00 O ATOM 1020 OD2 ASP A 67 -2.810 -15.301 14.484 1.00 0.00 O ATOM 0 H ASP A 67 0.273 -12.732 12.054 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.810 -15.358 11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.245 -14.737 13.637 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.031 -13.564 13.898 1.00 0.00 H new ATOM 1025 N VAL A 68 -2.765 -12.699 11.625 1.00 0.00 N ATOM 1026 CA VAL A 68 -4.067 -12.159 11.178 1.00 0.00 C ATOM 1027 C VAL A 68 -4.315 -12.433 9.688 1.00 0.00 C ATOM 1028 O VAL A 68 -5.436 -12.752 9.297 1.00 0.00 O ATOM 1029 CB VAL A 68 -4.245 -10.661 11.526 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -5.609 -10.116 11.070 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -4.138 -10.442 13.042 1.00 0.00 C ATOM 0 H VAL A 68 -2.129 -11.985 11.980 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.832 -12.696 11.740 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.452 -10.130 11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.687 -9.062 11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.702 -10.225 9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.406 -10.674 11.561 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.266 -9.383 13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.914 -11.016 13.548 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.158 -10.771 13.389 1.00 0.00 H new ATOM 1041 N VAL A 69 -3.264 -12.373 8.876 1.00 0.00 N ATOM 1042 CA VAL A 69 -3.315 -12.589 7.429 1.00 0.00 C ATOM 1043 C VAL A 69 -3.346 -14.084 7.093 1.00 0.00 C ATOM 1044 O VAL A 69 -4.208 -14.503 6.323 1.00 0.00 O ATOM 1045 CB VAL A 69 -2.129 -11.861 6.761 1.00 0.00 C ATOM 1046 CG1 VAL A 69 -1.983 -12.205 5.278 1.00 0.00 C ATOM 1047 CG2 VAL A 69 -2.337 -10.342 6.903 1.00 0.00 C ATOM 0 H VAL A 69 -2.324 -12.167 9.214 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.239 -12.169 7.032 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.218 -12.188 7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.133 -11.664 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.821 -13.277 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.891 -11.919 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.505 -9.816 6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.269 -10.055 6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.385 -10.078 7.960 1.00 0.00 H new ATOM 1057 N GLY A 70 -2.437 -14.900 7.647 1.00 0.00 N ATOM 1058 CA GLY A 70 -2.471 -16.366 7.504 1.00 0.00 C ATOM 1059 C GLY A 70 -2.298 -16.886 6.068 1.00 0.00 C ATOM 1060 O GLY A 70 -2.713 -18.008 5.772 1.00 0.00 O ATOM 0 H GLY A 70 -1.655 -14.563 8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.685 -16.794 8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.421 -16.731 7.894 1.00 0.00 H new ATOM 1064 N GLY A 71 -1.730 -16.066 5.170 1.00 0.00 N ATOM 1065 CA GLY A 71 -1.568 -16.344 3.734 1.00 0.00 C ATOM 1066 C GLY A 71 -2.632 -15.715 2.821 1.00 0.00 C ATOM 1067 O GLY A 71 -2.514 -15.832 1.600 1.00 0.00 O ATOM 0 H GLY A 71 -1.356 -15.155 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.587 -15.988 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.578 -17.424 3.586 1.00 0.00 H new ATOM 1071 N CYS A 72 -3.652 -15.045 3.374 1.00 0.00 N ATOM 1072 CA CYS A 72 -4.682 -14.319 2.614 1.00 0.00 C ATOM 1073 C CYS A 72 -4.157 -13.042 1.921 1.00 0.00 C ATOM 1074 O CYS A 72 -3.047 -12.571 2.184 1.00 0.00 O ATOM 1075 CB CYS A 72 -5.847 -13.973 3.562 1.00 0.00 C ATOM 1076 SG CYS A 72 -6.651 -15.494 4.146 1.00 0.00 S ATOM 0 H CYS A 72 -3.788 -14.991 4.383 1.00 0.00 H new ATOM 0 HA CYS A 72 -5.016 -14.975 1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.476 -13.399 4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -6.572 -13.345 3.045 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.878 -15.233 4.486 1.00 0.00 H new ATOM 1082 N CYS A 73 -4.998 -12.446 1.069 1.00 0.00 N ATOM 1083 CA CYS A 73 -4.769 -11.117 0.490 1.00 0.00 C ATOM 1084 C CYS A 73 -5.036 -10.005 1.525 1.00 0.00 C ATOM 1085 O CYS A 73 -5.904 -10.141 2.391 1.00 0.00 O ATOM 1086 CB CYS A 73 -5.660 -10.951 -0.755 1.00 0.00 C ATOM 1087 SG CYS A 73 -5.198 -12.181 -2.016 1.00 0.00 S ATOM 0 H CYS A 73 -5.868 -12.878 0.758 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.724 -11.029 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.708 -11.073 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.551 -9.945 -1.159 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.956 -12.036 -3.062 1.00 0.00 H new ATOM 1093 N TYR A 74 -4.319 -8.883 1.402 1.00 0.00 N ATOM 1094 CA TYR A 74 -4.476 -7.704 2.269 1.00 0.00 C ATOM 1095 C TYR A 74 -3.962 -6.401 1.633 1.00 0.00 C ATOM 1096 O TYR A 74 -3.156 -6.438 0.696 1.00 0.00 O ATOM 1097 CB TYR A 74 -3.836 -7.958 3.649 1.00 0.00 C ATOM 1098 CG TYR A 74 -2.322 -8.078 3.682 1.00 0.00 C ATOM 1099 CD1 TYR A 74 -1.695 -9.266 3.265 1.00 0.00 C ATOM 1100 CD2 TYR A 74 -1.542 -7.015 4.177 1.00 0.00 C ATOM 1101 CE1 TYR A 74 -0.297 -9.395 3.339 1.00 0.00 C ATOM 1102 CE2 TYR A 74 -0.144 -7.145 4.276 1.00 0.00 C ATOM 1103 CZ TYR A 74 0.482 -8.341 3.859 1.00 0.00 C ATOM 1104 OH TYR A 74 1.834 -8.476 3.948 1.00 0.00 O ATOM 0 H TYR A 74 -3.601 -8.764 0.687 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.547 -7.555 2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.129 -7.147 4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.260 -8.875 4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.291 -10.083 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.019 -6.095 4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.180 -10.302 2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.449 -6.333 4.670 1.00 0.00 H new ATOM 0 HH TYR A 74 2.220 -7.659 4.327 1.00 0.00 H new ATOM 1114 N ARG A 75 -4.412 -5.245 2.139 1.00 0.00 N ATOM 1115 CA ARG A 75 -4.099 -3.913 1.580 1.00 0.00 C ATOM 1116 C ARG A 75 -4.271 -2.800 2.630 1.00 0.00 C ATOM 1117 O ARG A 75 -5.179 -2.873 3.452 1.00 0.00 O ATOM 1118 CB ARG A 75 -5.012 -3.665 0.351 1.00 0.00 C ATOM 1119 CG ARG A 75 -4.398 -2.796 -0.763 1.00 0.00 C ATOM 1120 CD ARG A 75 -3.130 -3.385 -1.409 1.00 0.00 C ATOM 1121 NE ARG A 75 -3.319 -4.788 -1.837 1.00 0.00 N ATOM 1122 CZ ARG A 75 -3.778 -5.218 -3.010 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -4.130 -4.391 -3.971 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -3.898 -6.510 -3.231 1.00 0.00 N ATOM 0 H ARG A 75 -5.014 -5.203 2.961 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.053 -3.892 1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.289 -4.629 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.932 -3.191 0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.147 -2.641 -1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.158 -1.816 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.849 -2.779 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.305 -3.332 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.070 -5.506 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.055 -3.384 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.478 -4.757 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.640 -7.178 -2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.249 -6.843 -4.129 1.00 0.00 H new ATOM 1138 N VAL A 76 -3.429 -1.763 2.613 1.00 0.00 N ATOM 1139 CA VAL A 76 -3.540 -0.615 3.544 1.00 0.00 C ATOM 1140 C VAL A 76 -4.637 0.334 3.041 1.00 0.00 C ATOM 1141 O VAL A 76 -4.647 0.695 1.865 1.00 0.00 O ATOM 1142 CB VAL A 76 -2.199 0.139 3.731 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.319 1.227 4.813 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.068 -0.825 4.133 1.00 0.00 C ATOM 0 H VAL A 76 -2.650 -1.687 1.959 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.806 -1.004 4.527 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.962 0.600 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.363 1.739 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.085 1.946 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.595 0.767 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.140 -0.266 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.324 -1.315 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.937 -1.577 3.355 1.00 0.00 H new ATOM 1154 N ASN A 77 -5.553 0.728 3.929 1.00 0.00 N ATOM 1155 CA ASN A 77 -6.739 1.536 3.623 1.00 0.00 C ATOM 1156 C ASN A 77 -7.415 2.012 4.923 1.00 0.00 C ATOM 1157 O ASN A 77 -7.900 1.197 5.706 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.721 0.714 2.752 1.00 0.00 C ATOM 1159 CG ASN A 77 -9.029 1.436 2.418 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -9.236 2.606 2.720 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -9.958 0.746 1.782 1.00 0.00 N ATOM 0 H ASN A 77 -5.488 0.485 4.917 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.436 2.420 3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.222 0.443 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.956 -0.216 3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.846 1.187 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.787 -0.228 1.530 1.00 0.00 H new ATOM 1168 N ASN A 78 -7.489 3.334 5.123 1.00 0.00 N ATOM 1169 CA ASN A 78 -8.067 3.955 6.322 1.00 0.00 C ATOM 1170 C ASN A 78 -9.526 4.434 6.147 1.00 0.00 C ATOM 1171 O ASN A 78 -10.084 4.990 7.088 1.00 0.00 O ATOM 1172 CB ASN A 78 -7.161 5.099 6.801 1.00 0.00 C ATOM 1173 CG ASN A 78 -5.712 4.740 7.122 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -5.328 3.587 7.270 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -4.869 5.744 7.273 1.00 0.00 N ATOM 0 H ASN A 78 -7.143 4.013 4.445 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.116 3.176 7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.157 5.874 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.609 5.536 7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.895 5.560 7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.191 6.704 7.149 1.00 0.00 H new ATOM 1182 N SER A 79 -10.113 4.244 4.961 1.00 0.00 N ATOM 1183 CA SER A 79 -11.510 4.377 4.483 1.00 0.00 C ATOM 1184 C SER A 79 -12.206 5.735 4.656 1.00 0.00 C ATOM 1185 O SER A 79 -12.765 6.275 3.699 1.00 0.00 O ATOM 1186 CB SER A 79 -12.368 3.205 4.993 1.00 0.00 C ATOM 1187 OG SER A 79 -12.442 3.090 6.410 1.00 0.00 O ATOM 0 H SER A 79 -9.527 3.944 4.182 1.00 0.00 H new ATOM 0 HA SER A 79 -11.413 4.330 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.378 3.314 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.966 2.276 4.588 1.00 0.00 H new ATOM 0 HG SER A 79 -13.005 2.324 6.647 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.151 6.296 5.861 1.00 0.00 N ATOM 1194 CA LEU A 80 -12.699 7.618 6.223 1.00 0.00 C ATOM 1195 C LEU A 80 -11.628 8.639 6.615 1.00 0.00 C ATOM 1196 O LEU A 80 -11.835 9.839 6.476 1.00 0.00 O ATOM 1197 CB LEU A 80 -13.712 7.461 7.373 1.00 0.00 C ATOM 1198 CG LEU A 80 -15.008 6.701 7.019 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -15.944 6.736 8.236 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -15.733 7.306 5.805 1.00 0.00 C ATOM 0 H LEU A 80 -11.706 5.829 6.651 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.187 8.008 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.222 6.943 8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.981 8.453 7.735 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.736 5.678 6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.865 6.203 8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.455 6.259 9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.177 7.771 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.638 6.734 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.999 8.341 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.077 7.272 4.935 1.00 0.00 H new ATOM 1212 N ASP A 81 -10.457 8.186 7.061 1.00 0.00 N ATOM 1213 CA ASP A 81 -9.344 9.066 7.446 1.00 0.00 C ATOM 1214 C ASP A 81 -8.858 9.929 6.272 1.00 0.00 C ATOM 1215 O ASP A 81 -8.546 11.106 6.440 1.00 0.00 O ATOM 1216 CB ASP A 81 -8.230 8.145 7.936 1.00 0.00 C ATOM 1217 CG ASP A 81 -7.095 8.832 8.683 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -7.395 9.481 9.709 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -5.915 8.564 8.359 1.00 0.00 O ATOM 0 H ASP A 81 -10.248 7.193 7.168 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.661 9.767 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.667 7.390 8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.812 7.620 7.077 1.00 0.00 H new ATOM 1224 N HIS A 82 -8.884 9.354 5.065 1.00 0.00 N ATOM 1225 CA HIS A 82 -8.574 10.040 3.808 1.00 0.00 C ATOM 1226 C HIS A 82 -9.611 11.132 3.445 1.00 0.00 C ATOM 1227 O HIS A 82 -9.331 11.990 2.602 1.00 0.00 O ATOM 1228 CB HIS A 82 -8.505 8.986 2.686 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.638 7.780 2.979 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -6.299 7.781 3.298 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -8.041 6.468 2.957 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -5.906 6.505 3.458 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -6.939 5.662 3.269 1.00 0.00 N ATOM 0 H HIS A 82 -9.128 8.372 4.933 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.619 10.551 3.927 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.517 8.641 2.472 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.134 9.467 1.781 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.708 8.606 3.396 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.038 6.117 2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.900 6.198 3.704 1.00 0.00 H new ATOM 1241 N GLU A 83 -10.799 11.109 4.069 1.00 0.00 N ATOM 1242 CA GLU A 83 -11.913 12.012 3.767 1.00 0.00 C ATOM 1243 C GLU A 83 -11.932 13.266 4.655 1.00 0.00 C ATOM 1244 O GLU A 83 -12.379 14.323 4.205 1.00 0.00 O ATOM 1245 CB GLU A 83 -13.269 11.285 3.907 1.00 0.00 C ATOM 1246 CG GLU A 83 -13.405 10.016 3.048 1.00 0.00 C ATOM 1247 CD GLU A 83 -13.303 10.323 1.545 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -14.247 10.931 0.984 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -12.290 9.946 0.908 1.00 0.00 O ATOM 0 H GLU A 83 -11.013 10.446 4.814 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.760 12.331 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.417 11.018 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.067 11.977 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.627 9.305 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.362 9.538 3.256 1.00 0.00 H new ATOM 1256 N TYR A 84 -11.444 13.165 5.899 1.00 0.00 N ATOM 1257 CA TYR A 84 -11.611 14.218 6.914 1.00 0.00 C ATOM 1258 C TYR A 84 -10.331 14.929 7.402 1.00 0.00 C ATOM 1259 O TYR A 84 -10.372 16.140 7.630 1.00 0.00 O ATOM 1260 CB TYR A 84 -12.323 13.598 8.132 1.00 0.00 C ATOM 1261 CG TYR A 84 -13.611 12.829 7.873 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -14.564 13.282 6.936 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -13.863 11.653 8.610 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -15.741 12.542 6.708 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -15.045 10.919 8.402 1.00 0.00 C ATOM 1266 CZ TYR A 84 -15.980 11.354 7.434 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.113 10.635 7.211 1.00 0.00 O ATOM 0 H TYR A 84 -10.923 12.353 6.231 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.184 15.001 6.417 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.622 12.925 8.625 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.545 14.399 8.837 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -14.391 14.199 6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.143 11.313 9.340 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.460 12.883 5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.238 10.027 8.979 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.120 9.847 7.793 1.00 0.00 H new ATOM 1277 N GLN A 85 -9.236 14.207 7.676 1.00 0.00 N ATOM 1278 CA GLN A 85 -8.403 14.528 8.850 1.00 0.00 C ATOM 1279 C GLN A 85 -6.913 14.114 8.758 1.00 0.00 C ATOM 1280 O GLN A 85 -6.570 13.233 7.964 1.00 0.00 O ATOM 1281 CB GLN A 85 -9.076 13.850 10.060 1.00 0.00 C ATOM 1282 CG GLN A 85 -8.984 12.315 9.997 1.00 0.00 C ATOM 1283 CD GLN A 85 -9.829 11.595 11.039 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -10.764 12.118 11.623 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -9.522 10.345 11.292 1.00 0.00 N ATOM 0 H GLN A 85 -8.910 13.417 7.120 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.357 15.614 8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.606 14.202 10.978 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.124 14.147 10.104 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.291 11.984 9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.942 12.019 10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.741 9.903 10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.064 9.815 11.974 1.00 0.00 H new ATOM 1294 N PRO A 86 -6.036 14.692 9.614 1.00 0.00 N ATOM 1295 CA PRO A 86 -4.647 14.269 9.789 1.00 0.00 C ATOM 1296 C PRO A 86 -4.461 13.172 10.859 1.00 0.00 C ATOM 1297 O PRO A 86 -3.581 12.333 10.688 1.00 0.00 O ATOM 1298 CB PRO A 86 -3.902 15.548 10.188 1.00 0.00 C ATOM 1299 CG PRO A 86 -4.938 16.325 10.997 1.00 0.00 C ATOM 1300 CD PRO A 86 -6.261 15.951 10.319 1.00 0.00 C ATOM 0 HA PRO A 86 -4.270 13.815 8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.014 15.327 10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.571 16.109 9.314 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -4.928 16.036 12.048 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.756 17.399 10.960 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.056 15.844 11.057 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.573 16.731 9.625 1.00 0.00 H new ATOM 1308 N ARG A 87 -5.282 13.179 11.930 1.00 0.00 N ATOM 1309 CA ARG A 87 -5.364 12.210 13.043 1.00 0.00 C ATOM 1310 C ARG A 87 -4.125 12.150 13.990 1.00 0.00 C ATOM 1311 O ARG A 87 -2.994 12.013 13.514 1.00 0.00 O ATOM 1312 CB ARG A 87 -5.728 10.835 12.459 1.00 0.00 C ATOM 1313 CG ARG A 87 -6.074 9.802 13.539 1.00 0.00 C ATOM 1314 CD ARG A 87 -6.744 8.538 12.989 1.00 0.00 C ATOM 1315 NE ARG A 87 -6.108 8.083 11.746 1.00 0.00 N ATOM 1316 CZ ARG A 87 -5.097 7.247 11.581 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -4.562 6.566 12.571 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -4.595 7.093 10.382 1.00 0.00 N ATOM 0 H ARG A 87 -5.964 13.928 12.048 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.146 12.564 13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.576 10.945 11.784 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.893 10.466 11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.162 9.520 14.065 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.735 10.263 14.272 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.693 7.745 13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.800 8.736 12.806 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.503 8.467 10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.927 6.671 13.518 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.783 5.933 12.392 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.984 7.613 9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.815 6.453 10.234 1.00 0.00 H new ATOM 1332 N PRO A 88 -4.312 12.162 15.335 1.00 0.00 N ATOM 1333 CA PRO A 88 -3.232 11.950 16.304 1.00 0.00 C ATOM 1334 C PRO A 88 -2.916 10.452 16.437 1.00 0.00 C ATOM 1335 O PRO A 88 -3.544 9.733 17.214 1.00 0.00 O ATOM 1336 CB PRO A 88 -3.734 12.579 17.610 1.00 0.00 C ATOM 1337 CG PRO A 88 -5.243 12.360 17.545 1.00 0.00 C ATOM 1338 CD PRO A 88 -5.550 12.477 16.052 1.00 0.00 C ATOM 0 HA PRO A 88 -2.292 12.410 16.000 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.295 12.098 18.484 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.483 13.638 17.669 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.525 11.384 17.939 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.784 13.107 18.127 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.346 11.790 15.767 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.893 13.482 15.806 1.00 0.00 H new ATOM 1346 N VAL A 89 -1.929 9.977 15.671 1.00 0.00 N ATOM 1347 CA VAL A 89 -1.589 8.540 15.548 1.00 0.00 C ATOM 1348 C VAL A 89 -1.251 7.898 16.898 1.00 0.00 C ATOM 1349 O VAL A 89 -1.691 6.783 17.162 1.00 0.00 O ATOM 1350 CB VAL A 89 -0.452 8.334 14.509 1.00 0.00 C ATOM 1351 CG1 VAL A 89 0.334 7.019 14.659 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -1.048 8.405 13.094 1.00 0.00 C ATOM 0 H VAL A 89 -1.330 10.581 15.108 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.478 8.025 15.185 1.00 0.00 H new ATOM 0 HB VAL A 89 0.267 9.132 14.692 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.105 6.966 13.890 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.800 6.984 15.644 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.346 6.174 14.550 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.257 8.261 12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.799 7.624 12.976 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.511 9.380 12.943 1.00 0.00 H new ATOM 1362 N GLU A 90 -0.529 8.600 17.779 1.00 0.00 N ATOM 1363 CA GLU A 90 -0.091 8.033 19.067 1.00 0.00 C ATOM 1364 C GLU A 90 -1.271 7.827 20.021 1.00 0.00 C ATOM 1365 O GLU A 90 -1.357 6.799 20.691 1.00 0.00 O ATOM 1366 CB GLU A 90 0.959 8.934 19.742 1.00 0.00 C ATOM 1367 CG GLU A 90 2.186 9.193 18.863 1.00 0.00 C ATOM 1368 CD GLU A 90 3.283 9.927 19.644 1.00 0.00 C ATOM 1369 OE1 GLU A 90 3.267 11.182 19.685 1.00 0.00 O ATOM 1370 OE2 GLU A 90 4.175 9.256 20.219 1.00 0.00 O ATOM 0 H GLU A 90 -0.233 9.564 17.626 1.00 0.00 H new ATOM 0 HA GLU A 90 0.357 7.063 18.849 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.498 9.887 20.001 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.280 8.471 20.675 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.574 8.246 18.488 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.896 9.785 17.995 1.00 0.00 H new ATOM 1377 N VAL A 91 -2.211 8.774 20.045 1.00 0.00 N ATOM 1378 CA VAL A 91 -3.375 8.742 20.954 1.00 0.00 C ATOM 1379 C VAL A 91 -4.358 7.657 20.506 1.00 0.00 C ATOM 1380 O VAL A 91 -4.944 6.962 21.335 1.00 0.00 O ATOM 1381 CB VAL A 91 -4.051 10.132 21.023 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -5.286 10.144 21.939 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -3.049 11.195 21.517 1.00 0.00 C ATOM 0 H VAL A 91 -2.193 9.591 19.435 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.036 8.496 21.960 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.380 10.366 20.011 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.721 11.143 21.950 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.022 9.432 21.566 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.991 9.865 22.951 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.541 12.167 21.560 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.693 10.925 22.511 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.204 11.246 20.830 1.00 0.00 H new ATOM 1393 N ILE A 92 -4.504 7.454 19.191 1.00 0.00 N ATOM 1394 CA ILE A 92 -5.376 6.407 18.624 1.00 0.00 C ATOM 1395 C ILE A 92 -4.729 5.015 18.698 1.00 0.00 C ATOM 1396 O ILE A 92 -5.434 4.062 19.013 1.00 0.00 O ATOM 1397 CB ILE A 92 -5.918 6.899 17.265 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -7.040 7.915 17.622 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -6.439 5.756 16.379 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -7.364 8.927 16.531 1.00 0.00 C ATOM 0 H ILE A 92 -4.022 8.010 18.485 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.268 6.242 19.229 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.127 7.355 16.670 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.947 7.361 17.864 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.747 8.455 18.522 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.807 6.164 15.438 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.630 5.053 16.179 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.250 5.239 16.892 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.157 9.591 16.874 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.474 9.513 16.303 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.693 8.402 15.634 1.00 0.00 H new ATOM 1412 N ILE A 93 -3.401 4.881 18.567 1.00 0.00 N ATOM 1413 CA ILE A 93 -2.707 3.606 18.866 1.00 0.00 C ATOM 1414 C ILE A 93 -2.818 3.275 20.361 1.00 0.00 C ATOM 1415 O ILE A 93 -3.059 2.127 20.722 1.00 0.00 O ATOM 1416 CB ILE A 93 -1.234 3.677 18.386 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -1.211 3.491 16.851 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -0.325 2.644 19.082 1.00 0.00 C ATOM 1419 CD1 ILE A 93 0.158 3.758 16.222 1.00 0.00 C ATOM 0 H ILE A 93 -2.783 5.632 18.258 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.189 2.794 18.322 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.831 4.653 18.657 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.519 2.473 16.612 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.945 4.160 16.401 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.693 2.742 18.705 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.332 2.820 20.158 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.693 1.639 18.876 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.099 3.608 15.144 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.460 4.785 16.430 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.892 3.072 16.644 1.00 0.00 H new ATOM 1431 N SER A 94 -2.691 4.275 21.234 1.00 0.00 N ATOM 1432 CA SER A 94 -2.810 4.079 22.689 1.00 0.00 C ATOM 1433 C SER A 94 -4.238 3.661 23.070 1.00 0.00 C ATOM 1434 O SER A 94 -4.441 2.772 23.892 1.00 0.00 O ATOM 1435 CB SER A 94 -2.414 5.359 23.444 1.00 0.00 C ATOM 1436 OG SER A 94 -1.088 5.767 23.139 1.00 0.00 O ATOM 0 H SER A 94 -2.504 5.240 20.960 1.00 0.00 H new ATOM 0 HA SER A 94 -2.128 3.279 22.976 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.108 6.160 23.189 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.504 5.190 24.517 1.00 0.00 H new ATOM 0 HG SER A 94 -1.096 6.333 22.339 1.00 0.00 H new ATOM 1442 N SER A 95 -5.240 4.251 22.410 1.00 0.00 N ATOM 1443 CA SER A 95 -6.647 3.872 22.541 1.00 0.00 C ATOM 1444 C SER A 95 -6.898 2.436 22.052 1.00 0.00 C ATOM 1445 O SER A 95 -7.521 1.654 22.767 1.00 0.00 O ATOM 1446 CB SER A 95 -7.520 4.859 21.753 1.00 0.00 C ATOM 1447 OG SER A 95 -7.482 6.165 22.315 1.00 0.00 O ATOM 0 H SER A 95 -5.091 5.020 21.757 1.00 0.00 H new ATOM 0 HA SER A 95 -6.911 3.909 23.598 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.180 4.899 20.718 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.549 4.500 21.736 1.00 0.00 H new ATOM 0 HG SER A 95 -6.647 6.608 22.056 1.00 0.00 H new ATOM 1453 N ALA A 96 -6.370 2.056 20.880 1.00 0.00 N ATOM 1454 CA ALA A 96 -6.480 0.696 20.347 1.00 0.00 C ATOM 1455 C ALA A 96 -5.848 -0.347 21.287 1.00 0.00 C ATOM 1456 O ALA A 96 -6.447 -1.392 21.543 1.00 0.00 O ATOM 1457 CB ALA A 96 -5.865 0.686 18.939 1.00 0.00 C ATOM 0 H ALA A 96 -5.851 2.691 20.273 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.529 0.407 20.278 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.934 -0.317 18.519 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.406 1.385 18.301 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.818 0.983 18.997 1.00 0.00 H new ATOM 1463 N LYS A 97 -4.684 -0.043 21.874 1.00 0.00 N ATOM 1464 CA LYS A 97 -4.067 -0.873 22.919 1.00 0.00 C ATOM 1465 C LYS A 97 -4.950 -0.961 24.180 1.00 0.00 C ATOM 1466 O LYS A 97 -5.248 -2.066 24.636 1.00 0.00 O ATOM 1467 CB LYS A 97 -2.656 -0.336 23.226 1.00 0.00 C ATOM 1468 CG LYS A 97 -1.675 -0.627 22.072 1.00 0.00 C ATOM 1469 CD LYS A 97 -0.334 0.109 22.229 1.00 0.00 C ATOM 1470 CE LYS A 97 0.430 -0.337 23.489 1.00 0.00 C ATOM 1471 NZ LYS A 97 1.748 0.350 23.609 1.00 0.00 N ATOM 0 H LYS A 97 -4.141 0.788 21.638 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.976 -1.896 22.553 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.705 0.739 23.401 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.284 -0.791 24.144 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.491 -1.700 22.020 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.135 -0.336 21.128 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.283 -0.072 21.349 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.514 1.183 22.277 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.172 -0.126 24.373 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.584 -1.416 23.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.233 0.024 24.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.332 0.128 22.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.600 1.378 23.664 1.00 0.00 H new ATOM 1485 N GLU A 98 -5.452 0.161 24.702 1.00 0.00 N ATOM 1486 CA GLU A 98 -6.352 0.180 25.867 1.00 0.00 C ATOM 1487 C GLU A 98 -7.666 -0.595 25.633 1.00 0.00 C ATOM 1488 O GLU A 98 -8.206 -1.193 26.566 1.00 0.00 O ATOM 1489 CB GLU A 98 -6.663 1.631 26.278 1.00 0.00 C ATOM 1490 CG GLU A 98 -5.500 2.318 27.003 1.00 0.00 C ATOM 1491 CD GLU A 98 -5.288 1.759 28.418 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -6.026 2.160 29.350 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -4.376 0.920 28.612 1.00 0.00 O ATOM 0 H GLU A 98 -5.247 1.088 24.330 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.825 -0.330 26.673 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.918 2.207 25.388 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.540 1.638 26.925 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.586 2.190 26.423 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.693 3.389 27.062 1.00 0.00 H new ATOM 1500 N MET A 99 -8.152 -0.648 24.388 1.00 0.00 N ATOM 1501 CA MET A 99 -9.351 -1.399 23.983 1.00 0.00 C ATOM 1502 C MET A 99 -9.147 -2.921 23.887 1.00 0.00 C ATOM 1503 O MET A 99 -10.125 -3.639 23.683 1.00 0.00 O ATOM 1504 CB MET A 99 -9.910 -0.841 22.662 1.00 0.00 C ATOM 1505 CG MET A 99 -10.628 0.497 22.885 1.00 0.00 C ATOM 1506 SD MET A 99 -11.301 1.275 21.392 1.00 0.00 S ATOM 1507 CE MET A 99 -12.483 0.007 20.853 1.00 0.00 C ATOM 0 H MET A 99 -7.711 -0.156 23.610 1.00 0.00 H new ATOM 0 HA MET A 99 -10.076 -1.255 24.784 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.097 -0.706 21.948 1.00 0.00 H new ATOM 0 HB3 MET A 99 -10.603 -1.560 22.224 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.443 0.340 23.591 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.930 1.191 23.353 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.140 0.423 20.089 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.941 -0.844 20.441 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.079 -0.320 21.705 1.00 0.00 H new ATOM 1517 N VAL A 100 -7.931 -3.445 24.066 1.00 0.00 N ATOM 1518 CA VAL A 100 -7.706 -4.902 24.173 1.00 0.00 C ATOM 1519 C VAL A 100 -8.568 -5.467 25.313 1.00 0.00 C ATOM 1520 O VAL A 100 -8.469 -5.030 26.461 1.00 0.00 O ATOM 1521 CB VAL A 100 -6.217 -5.265 24.372 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.001 -6.764 24.644 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -5.415 -4.911 23.109 1.00 0.00 C ATOM 0 H VAL A 100 -7.081 -2.886 24.141 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.003 -5.356 23.227 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.880 -4.695 25.238 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.937 -6.960 24.776 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.537 -7.051 25.549 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.375 -7.344 23.801 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.367 -5.170 23.259 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.809 -5.469 22.260 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.500 -3.842 22.912 1.00 0.00 H new ATOM 1533 N GLY A 101 -9.428 -6.430 24.965 1.00 0.00 N ATOM 1534 CA GLY A 101 -10.411 -7.052 25.861 1.00 0.00 C ATOM 1535 C GLY A 101 -11.830 -6.476 25.770 1.00 0.00 C ATOM 1536 O GLY A 101 -12.721 -6.992 26.443 1.00 0.00 O ATOM 0 H GLY A 101 -9.461 -6.811 24.020 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.454 -8.119 25.643 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.059 -6.950 26.888 1.00 0.00 H new ATOM 1540 N GLN A 102 -12.076 -5.445 24.949 1.00 0.00 N ATOM 1541 CA GLN A 102 -13.425 -4.921 24.707 1.00 0.00 C ATOM 1542 C GLN A 102 -14.253 -5.925 23.901 1.00 0.00 C ATOM 1543 O GLN A 102 -13.846 -6.391 22.835 1.00 0.00 O ATOM 1544 CB GLN A 102 -13.388 -3.564 23.983 1.00 0.00 C ATOM 1545 CG GLN A 102 -12.962 -2.412 24.906 1.00 0.00 C ATOM 1546 CD GLN A 102 -14.025 -2.065 25.951 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -13.973 -2.498 27.096 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -15.042 -1.302 25.601 1.00 0.00 N ATOM 0 H GLN A 102 -11.345 -4.952 24.435 1.00 0.00 H new ATOM 0 HA GLN A 102 -13.895 -4.768 25.679 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -12.698 -3.624 23.141 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.374 -3.349 23.572 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -12.036 -2.682 25.413 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -12.750 -1.529 24.303 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.100 -0.934 24.652 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.770 -1.080 26.280 1.00 0.00 H new ATOM 1557 N LYS A 103 -15.430 -6.248 24.431 1.00 0.00 N ATOM 1558 CA LYS A 103 -16.357 -7.243 23.945 1.00 0.00 C ATOM 1559 C LYS A 103 -17.510 -6.603 23.135 1.00 0.00 C ATOM 1560 O LYS A 103 -18.151 -5.651 23.591 1.00 0.00 O ATOM 1561 CB LYS A 103 -16.845 -7.911 25.242 1.00 0.00 C ATOM 1562 CG LYS A 103 -17.656 -9.170 24.989 1.00 0.00 C ATOM 1563 CD LYS A 103 -16.797 -10.434 24.797 1.00 0.00 C ATOM 1564 CE LYS A 103 -16.245 -10.928 26.146 1.00 0.00 C ATOM 1565 NZ LYS A 103 -15.372 -12.125 25.997 1.00 0.00 N ATOM 0 H LYS A 103 -15.777 -5.783 25.270 1.00 0.00 H new ATOM 0 HA LYS A 103 -15.911 -7.953 23.248 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -15.984 -8.158 25.864 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -17.451 -7.201 25.805 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -18.336 -9.328 25.826 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -18.272 -9.022 24.102 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -17.395 -11.219 24.334 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.972 -10.219 24.118 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.679 -10.126 26.620 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.076 -11.168 26.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.107 -12.481 26.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.885 -12.866 25.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.513 -11.865 25.471 1.00 0.00 H new ATOM 1579 N MET A 104 -17.801 -7.168 21.959 1.00 0.00 N ATOM 1580 CA MET A 104 -18.937 -6.834 21.078 1.00 0.00 C ATOM 1581 C MET A 104 -19.872 -8.048 20.925 1.00 0.00 C ATOM 1582 O MET A 104 -19.565 -9.145 21.393 1.00 0.00 O ATOM 1583 CB MET A 104 -18.401 -6.342 19.711 1.00 0.00 C ATOM 1584 CG MET A 104 -18.421 -4.812 19.579 1.00 0.00 C ATOM 1585 SD MET A 104 -17.463 -3.850 20.784 1.00 0.00 S ATOM 1586 CE MET A 104 -15.783 -4.311 20.301 1.00 0.00 C ATOM 0 H MET A 104 -17.222 -7.912 21.570 1.00 0.00 H new ATOM 0 HA MET A 104 -19.524 -6.030 21.522 1.00 0.00 H new ATOM 0 HB2 MET A 104 -17.380 -6.700 19.576 1.00 0.00 H new ATOM 0 HB3 MET A 104 -19.001 -6.779 18.912 1.00 0.00 H new ATOM 0 HG2 MET A 104 -18.060 -4.556 18.583 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.459 -4.484 19.636 1.00 0.00 H new ATOM 0 HE1 MET A 104 -15.066 -3.789 20.935 1.00 0.00 H new ATOM 0 HE2 MET A 104 -15.654 -5.387 20.416 1.00 0.00 H new ATOM 0 HE3 MET A 104 -15.615 -4.035 19.260 1.00 0.00 H new ATOM 1596 N LYS A 105 -21.006 -7.868 20.245 1.00 0.00 N ATOM 1597 CA LYS A 105 -21.981 -8.936 19.957 1.00 0.00 C ATOM 1598 C LYS A 105 -22.313 -9.042 18.449 1.00 0.00 C ATOM 1599 O LYS A 105 -21.535 -8.594 17.602 1.00 0.00 O ATOM 1600 CB LYS A 105 -23.212 -8.727 20.875 1.00 0.00 C ATOM 1601 CG LYS A 105 -23.737 -10.044 21.475 1.00 0.00 C ATOM 1602 CD LYS A 105 -22.866 -10.526 22.652 1.00 0.00 C ATOM 1603 CE LYS A 105 -23.190 -11.968 23.076 1.00 0.00 C ATOM 1604 NZ LYS A 105 -24.548 -12.108 23.673 1.00 0.00 N ATOM 0 H LYS A 105 -21.283 -6.961 19.870 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.552 -9.911 20.187 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -22.946 -8.045 21.683 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -24.009 -8.250 20.304 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -24.763 -9.904 21.816 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -23.760 -10.812 20.702 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -21.815 -10.461 22.371 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -23.011 -9.860 23.503 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -23.112 -12.622 22.208 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -22.445 -12.305 23.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -24.710 -13.100 23.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -24.619 -11.507 24.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -25.264 -11.815 22.979 1.00 0.00 H new ATOM 1618 N TYR A 106 -23.444 -9.660 18.097 1.00 0.00 N ATOM 1619 CA TYR A 106 -23.811 -9.969 16.712 1.00 0.00 C ATOM 1620 C TYR A 106 -24.241 -8.721 15.909 1.00 0.00 C ATOM 1621 O TYR A 106 -24.788 -7.763 16.458 1.00 0.00 O ATOM 1622 CB TYR A 106 -24.894 -11.061 16.710 1.00 0.00 C ATOM 1623 CG TYR A 106 -25.186 -11.626 15.334 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -24.255 -12.488 14.723 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -26.360 -11.263 14.644 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -24.493 -12.989 13.429 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -26.606 -11.761 13.350 1.00 0.00 C ATOM 1628 CZ TYR A 106 -25.668 -12.623 12.735 1.00 0.00 C ATOM 1629 OH TYR A 106 -25.899 -13.099 11.479 1.00 0.00 O ATOM 0 H TYR A 106 -24.141 -9.964 18.777 1.00 0.00 H new ATOM 0 HA TYR A 106 -22.925 -10.342 16.199 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -24.581 -11.872 17.367 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -25.813 -10.650 17.127 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -23.354 -12.766 15.250 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -27.074 -10.600 15.110 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.777 -13.653 12.967 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -27.510 -11.485 12.828 1.00 0.00 H new ATOM 0 HH TYR A 106 -26.753 -12.749 11.149 1.00 0.00 H new ATOM 1639 N SER A 107 -24.000 -8.750 14.597 1.00 0.00 N ATOM 1640 CA SER A 107 -24.259 -7.714 13.574 1.00 0.00 C ATOM 1641 C SER A 107 -23.722 -8.215 12.218 1.00 0.00 C ATOM 1642 O SER A 107 -23.014 -9.226 12.169 1.00 0.00 O ATOM 1643 CB SER A 107 -23.598 -6.366 13.944 1.00 0.00 C ATOM 1644 OG SER A 107 -24.358 -5.651 14.906 1.00 0.00 O ATOM 0 H SER A 107 -23.577 -9.577 14.175 1.00 0.00 H new ATOM 0 HA SER A 107 -25.333 -7.540 13.516 1.00 0.00 H new ATOM 0 HB2 SER A 107 -22.597 -6.548 14.334 1.00 0.00 H new ATOM 0 HB3 SER A 107 -23.485 -5.758 13.046 1.00 0.00 H new ATOM 0 HG SER A 107 -24.522 -6.223 15.685 1.00 0.00 H new ATOM 1650 N ILE A 108 -24.001 -7.503 11.118 1.00 0.00 N ATOM 1651 CA ILE A 108 -23.369 -7.769 9.810 1.00 0.00 C ATOM 1652 C ILE A 108 -21.859 -7.508 9.955 1.00 0.00 C ATOM 1653 O ILE A 108 -21.479 -6.409 10.348 1.00 0.00 O ATOM 1654 CB ILE A 108 -24.024 -6.904 8.697 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -25.531 -7.249 8.568 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -23.302 -7.111 7.349 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -26.309 -6.369 7.580 1.00 0.00 C ATOM 0 H ILE A 108 -24.666 -6.730 11.105 1.00 0.00 H new ATOM 0 HA ILE A 108 -23.520 -8.806 9.508 1.00 0.00 H new ATOM 0 HB ILE A 108 -23.930 -5.854 8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -25.626 -8.290 8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.994 -7.165 9.551 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -23.776 -6.496 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -22.256 -6.823 7.449 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -23.363 -8.160 7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -27.352 -6.683 7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -26.251 -5.328 7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -25.877 -6.470 6.584 1.00 0.00 H new ATOM 1669 N VAL A 109 -21.001 -8.489 9.648 1.00 0.00 N ATOM 1670 CA VAL A 109 -19.545 -8.440 9.950 1.00 0.00 C ATOM 1671 C VAL A 109 -18.861 -7.209 9.343 1.00 0.00 C ATOM 1672 O VAL A 109 -17.999 -6.619 9.990 1.00 0.00 O ATOM 1673 CB VAL A 109 -18.817 -9.746 9.534 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -17.298 -9.688 9.788 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -19.382 -10.957 10.304 1.00 0.00 C ATOM 0 H VAL A 109 -21.288 -9.349 9.180 1.00 0.00 H new ATOM 0 HA VAL A 109 -19.466 -8.350 11.033 1.00 0.00 H new ATOM 0 HB VAL A 109 -18.990 -9.854 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.841 -10.628 9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -16.864 -8.868 9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -17.113 -9.527 10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -18.857 -11.861 9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -19.244 -10.804 11.374 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -20.445 -11.063 10.086 1.00 0.00 H new ATOM 1685 N SER A 110 -19.283 -6.769 8.151 1.00 0.00 N ATOM 1686 CA SER A 110 -18.803 -5.524 7.529 1.00 0.00 C ATOM 1687 C SER A 110 -19.006 -4.315 8.461 1.00 0.00 C ATOM 1688 O SER A 110 -18.026 -3.682 8.869 1.00 0.00 O ATOM 1689 CB SER A 110 -19.501 -5.315 6.174 1.00 0.00 C ATOM 1690 OG SER A 110 -18.989 -4.174 5.506 1.00 0.00 O ATOM 0 H SER A 110 -19.971 -7.268 7.586 1.00 0.00 H new ATOM 0 HA SER A 110 -17.730 -5.613 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 110 -19.362 -6.198 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 110 -20.574 -5.199 6.328 1.00 0.00 H new ATOM 0 HG SER A 110 -19.448 -4.064 4.647 1.00 0.00 H new ATOM 1696 N ARG A 111 -20.243 -4.052 8.915 1.00 0.00 N ATOM 1697 CA ARG A 111 -20.482 -2.970 9.881 1.00 0.00 C ATOM 1698 C ARG A 111 -19.856 -3.273 11.240 1.00 0.00 C ATOM 1699 O ARG A 111 -19.343 -2.359 11.867 1.00 0.00 O ATOM 1700 CB ARG A 111 -21.974 -2.627 10.019 1.00 0.00 C ATOM 1701 CG ARG A 111 -22.219 -1.360 10.872 1.00 0.00 C ATOM 1702 CD ARG A 111 -21.698 -0.063 10.237 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.033 1.096 11.085 1.00 0.00 N ATOM 1704 CZ ARG A 111 -21.593 2.340 10.941 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -20.755 2.684 9.989 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.000 3.273 11.774 1.00 0.00 N ATOM 0 H ARG A 111 -21.079 -4.565 8.634 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.987 -2.086 9.480 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -22.402 -2.481 9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -22.496 -3.471 10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -23.289 -1.259 11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.743 -1.492 11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.618 -0.124 10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -22.134 0.065 9.246 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.669 0.924 11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.419 1.984 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.440 3.651 9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -22.650 3.038 12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -21.666 4.231 11.669 1.00 0.00 H new ATOM 1720 N ASN A 112 -19.821 -4.525 11.690 1.00 0.00 N ATOM 1721 CA ASN A 112 -19.252 -4.889 12.994 1.00 0.00 C ATOM 1722 C ASN A 112 -17.764 -4.484 13.092 1.00 0.00 C ATOM 1723 O ASN A 112 -17.354 -3.835 14.053 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.485 -6.394 13.246 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.547 -6.766 14.729 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -19.055 -6.067 15.603 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -20.193 -7.876 15.046 1.00 0.00 N ATOM 0 H ASN A 112 -20.185 -5.319 11.164 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.759 -4.334 13.783 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -20.416 -6.694 12.766 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.684 -6.961 12.771 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.283 -8.152 16.024 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.602 -8.455 14.313 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.975 -4.756 12.043 1.00 0.00 N ATOM 1735 CA CYS A 113 -15.567 -4.352 11.951 1.00 0.00 C ATOM 1736 C CYS A 113 -15.388 -2.855 11.596 1.00 0.00 C ATOM 1737 O CYS A 113 -14.526 -2.199 12.180 1.00 0.00 O ATOM 1738 CB CYS A 113 -14.819 -5.353 11.051 1.00 0.00 C ATOM 1739 SG CYS A 113 -15.208 -5.183 9.286 1.00 0.00 S ATOM 0 H CYS A 113 -17.302 -5.269 11.225 1.00 0.00 H new ATOM 0 HA CYS A 113 -15.098 -4.406 12.934 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -13.746 -5.222 11.191 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -15.061 -6.366 11.371 1.00 0.00 H new ATOM 0 HG CYS A 113 -16.350 -4.576 9.150 1.00 0.00 H new ATOM 1745 N GLU A 114 -16.230 -2.276 10.732 1.00 0.00 N ATOM 1746 CA GLU A 114 -16.232 -0.832 10.427 1.00 0.00 C ATOM 1747 C GLU A 114 -16.559 0.024 11.665 1.00 0.00 C ATOM 1748 O GLU A 114 -15.865 0.992 11.966 1.00 0.00 O ATOM 1749 CB GLU A 114 -17.232 -0.560 9.295 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.229 0.894 8.808 1.00 0.00 C ATOM 1751 CD GLU A 114 -18.280 1.089 7.703 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.490 1.159 8.035 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -17.904 1.180 6.511 1.00 0.00 O ATOM 0 H GLU A 114 -16.939 -2.799 10.217 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.229 -0.547 10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -17.004 -1.216 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.234 -0.817 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.439 1.564 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.241 1.156 8.430 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.580 -0.353 12.434 1.00 0.00 N ATOM 1761 CA HIS A 115 -17.933 0.284 13.703 1.00 0.00 C ATOM 1762 C HIS A 115 -16.789 0.124 14.728 1.00 0.00 C ATOM 1763 O HIS A 115 -16.495 1.053 15.480 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.253 -0.316 14.219 1.00 0.00 C ATOM 1765 CG HIS A 115 -19.791 0.327 15.477 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -20.463 -0.321 16.490 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -19.756 1.657 15.812 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -20.816 0.596 17.412 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -20.404 1.823 17.043 1.00 0.00 N ATOM 0 H HIS A 115 -18.198 -1.126 12.187 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.076 1.354 13.551 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.005 -0.233 13.435 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.104 -1.379 14.406 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -19.305 2.444 15.225 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -21.355 0.377 18.322 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -20.536 2.695 17.555 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.091 -1.022 14.725 1.00 0.00 N ATOM 1778 CA PHE A 116 -14.871 -1.233 15.511 1.00 0.00 C ATOM 1779 C PHE A 116 -13.754 -0.255 15.103 1.00 0.00 C ATOM 1780 O PHE A 116 -13.292 0.492 15.961 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.461 -2.714 15.433 1.00 0.00 C ATOM 1782 CG PHE A 116 -12.971 -2.976 15.533 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -12.323 -2.824 16.772 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.227 -3.330 14.386 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -10.935 -3.010 16.864 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -10.836 -3.511 14.481 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.191 -3.345 15.719 1.00 0.00 C ATOM 0 H PHE A 116 -16.362 -1.834 14.171 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.068 -1.007 16.559 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -14.964 -3.257 16.234 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -14.824 -3.126 14.492 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -12.893 -2.564 17.652 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.726 -3.461 13.437 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.438 -2.896 17.816 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.264 -3.777 13.604 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.121 -3.475 15.791 1.00 0.00 H new ATOM 1797 N VAL A 117 -13.350 -0.176 13.827 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.268 0.769 13.438 1.00 0.00 C ATOM 1799 C VAL A 117 -12.677 2.240 13.555 1.00 0.00 C ATOM 1800 O VAL A 117 -11.810 3.083 13.781 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.620 0.510 12.063 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.830 -0.802 12.094 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.604 0.529 10.888 1.00 0.00 C ATOM 0 H VAL A 117 -13.734 -0.730 13.062 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.499 0.558 14.181 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.944 1.346 11.883 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.376 -0.976 11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.049 -0.739 12.852 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.502 -1.626 12.334 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.066 0.338 9.960 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.360 -0.242 11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.087 1.505 10.834 1.00 0.00 H new ATOM 1813 N THR A 118 -13.979 2.562 13.489 1.00 0.00 N ATOM 1814 CA THR A 118 -14.473 3.916 13.812 1.00 0.00 C ATOM 1815 C THR A 118 -14.354 4.183 15.305 1.00 0.00 C ATOM 1816 O THR A 118 -13.908 5.259 15.666 1.00 0.00 O ATOM 1817 CB THR A 118 -15.890 4.188 13.302 1.00 0.00 C ATOM 1818 OG1 THR A 118 -15.996 3.715 11.972 1.00 0.00 O ATOM 1819 CG2 THR A 118 -16.198 5.685 13.245 1.00 0.00 C ATOM 0 H THR A 118 -14.710 1.906 13.215 1.00 0.00 H new ATOM 0 HA THR A 118 -13.833 4.618 13.277 1.00 0.00 H new ATOM 0 HB THR A 118 -16.580 3.692 13.985 1.00 0.00 H new ATOM 0 HG1 THR A 118 -15.996 2.735 11.972 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.213 5.834 12.878 1.00 0.00 H new ATOM 0 HG22 THR A 118 -16.107 6.114 14.243 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.494 6.176 12.573 1.00 0.00 H new ATOM 1827 N GLN A 119 -14.628 3.204 16.172 1.00 0.00 N ATOM 1828 CA GLN A 119 -14.356 3.328 17.610 1.00 0.00 C ATOM 1829 C GLN A 119 -12.851 3.434 17.942 1.00 0.00 C ATOM 1830 O GLN A 119 -12.514 4.011 18.978 1.00 0.00 O ATOM 1831 CB GLN A 119 -15.027 2.186 18.384 1.00 0.00 C ATOM 1832 CG GLN A 119 -16.544 2.401 18.509 1.00 0.00 C ATOM 1833 CD GLN A 119 -17.235 1.140 19.014 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -17.613 1.012 20.173 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -17.384 0.148 18.161 1.00 0.00 N ATOM 0 H GLN A 119 -15.041 2.311 15.902 1.00 0.00 H new ATOM 0 HA GLN A 119 -14.793 4.273 17.933 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -14.834 1.240 17.878 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -14.586 2.112 19.378 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -16.743 3.227 19.192 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -16.956 2.682 17.540 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -17.070 0.253 17.196 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -17.814 -0.726 18.465 1.00 0.00 H new ATOM 1844 N LEU A 120 -11.941 2.951 17.076 1.00 0.00 N ATOM 1845 CA LEU A 120 -10.502 3.213 17.224 1.00 0.00 C ATOM 1846 C LEU A 120 -10.172 4.679 16.897 1.00 0.00 C ATOM 1847 O LEU A 120 -9.680 5.398 17.764 1.00 0.00 O ATOM 1848 CB LEU A 120 -9.651 2.246 16.371 1.00 0.00 C ATOM 1849 CG LEU A 120 -9.792 0.738 16.668 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -8.679 -0.011 15.925 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -9.708 0.428 18.165 1.00 0.00 C ATOM 0 H LEU A 120 -12.179 2.377 16.267 1.00 0.00 H new ATOM 0 HA LEU A 120 -10.245 3.033 18.268 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.902 2.409 15.323 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -8.603 2.519 16.494 1.00 0.00 H new ATOM 0 HG LEU A 120 -10.776 0.415 16.328 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.764 -1.079 16.124 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.773 0.167 14.854 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.708 0.346 16.268 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.813 -0.646 18.321 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.744 0.758 18.551 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.508 0.950 18.690 1.00 0.00 H new ATOM 1863 N ARG A 121 -10.457 5.134 15.665 1.00 0.00 N ATOM 1864 CA ARG A 121 -10.174 6.509 15.190 1.00 0.00 C ATOM 1865 C ARG A 121 -11.174 7.573 15.690 1.00 0.00 C ATOM 1866 O ARG A 121 -11.088 8.735 15.287 1.00 0.00 O ATOM 1867 CB ARG A 121 -10.033 6.528 13.650 1.00 0.00 C ATOM 1868 CG ARG A 121 -11.378 6.302 12.932 1.00 0.00 C ATOM 1869 CD ARG A 121 -11.249 5.764 11.500 1.00 0.00 C ATOM 1870 NE ARG A 121 -12.576 5.355 10.988 1.00 0.00 N ATOM 1871 CZ ARG A 121 -12.827 4.547 9.966 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -11.880 4.181 9.130 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -14.047 4.102 9.758 1.00 0.00 N ATOM 0 H ARG A 121 -10.898 4.550 14.955 1.00 0.00 H new ATOM 0 HA ARG A 121 -9.222 6.797 15.637 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -9.615 7.485 13.338 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -9.327 5.756 13.343 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -11.976 5.603 13.517 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -11.925 7.245 12.905 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -10.821 6.530 10.853 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -10.566 4.914 11.483 1.00 0.00 H new ATOM 0 HE ARG A 121 -13.387 5.736 11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -10.927 4.519 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -12.099 3.559 8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -14.804 4.378 10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -14.236 3.481 8.971 1.00 0.00 H new ATOM 1887 N TYR A 122 -12.094 7.195 16.584 1.00 0.00 N ATOM 1888 CA TYR A 122 -13.205 8.011 17.105 1.00 0.00 C ATOM 1889 C TYR A 122 -12.713 9.353 17.697 1.00 0.00 C ATOM 1890 O TYR A 122 -13.433 10.353 17.724 1.00 0.00 O ATOM 1891 CB TYR A 122 -13.929 7.216 18.217 1.00 0.00 C ATOM 1892 CG TYR A 122 -15.446 7.333 18.324 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -16.176 8.362 17.692 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -16.144 6.366 19.082 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -17.579 8.423 17.808 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -17.546 6.417 19.199 1.00 0.00 C ATOM 1897 CZ TYR A 122 -18.272 7.449 18.560 1.00 0.00 C ATOM 1898 OH TYR A 122 -19.629 7.512 18.669 1.00 0.00 O ATOM 0 H TYR A 122 -12.086 6.259 16.989 1.00 0.00 H new ATOM 0 HA TYR A 122 -13.875 8.233 16.275 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -13.686 6.162 18.083 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -13.504 7.522 19.173 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -15.654 9.110 17.114 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -15.595 5.579 19.577 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -18.126 9.217 17.321 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -18.067 5.668 19.777 1.00 0.00 H new ATOM 0 HH TYR A 122 -19.948 6.767 19.219 1.00 0.00 H new ATOM 1908 N GLY A 123 -11.446 9.353 18.148 1.00 0.00 N ATOM 1909 CA GLY A 123 -10.697 10.492 18.695 1.00 0.00 C ATOM 1910 C GLY A 123 -10.559 11.693 17.755 1.00 0.00 C ATOM 1911 O GLY A 123 -10.273 12.791 18.232 1.00 0.00 O ATOM 0 H GLY A 123 -10.884 8.502 18.138 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.187 10.822 19.611 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.699 10.151 18.972 1.00 0.00 H new ATOM 1915 N LYS A 124 -10.782 11.513 16.447 1.00 0.00 N ATOM 1916 CA LYS A 124 -10.830 12.616 15.473 1.00 0.00 C ATOM 1917 C LYS A 124 -12.018 12.550 14.485 1.00 0.00 C ATOM 1918 O LYS A 124 -12.499 13.609 14.066 1.00 0.00 O ATOM 1919 CB LYS A 124 -9.461 12.682 14.760 1.00 0.00 C ATOM 1920 CG LYS A 124 -9.180 14.021 14.051 1.00 0.00 C ATOM 1921 CD LYS A 124 -8.906 15.172 15.037 1.00 0.00 C ATOM 1922 CE LYS A 124 -8.627 16.507 14.322 1.00 0.00 C ATOM 1923 NZ LYS A 124 -9.865 17.140 13.780 1.00 0.00 N ATOM 0 H LYS A 124 -10.935 10.595 16.031 1.00 0.00 H new ATOM 0 HA LYS A 124 -11.016 13.543 16.016 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -8.674 12.499 15.492 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -9.407 11.877 14.027 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.322 13.903 13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.033 14.281 13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.763 15.291 15.699 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.052 14.914 15.664 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -8.148 17.194 15.019 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.924 16.338 13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.620 18.035 13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -10.311 16.499 13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -10.528 17.329 14.559 1.00 0.00 H new ATOM 1937 N SER A 125 -12.525 11.349 14.161 1.00 0.00 N ATOM 1938 CA SER A 125 -13.658 11.142 13.228 1.00 0.00 C ATOM 1939 C SER A 125 -15.016 11.496 13.849 1.00 0.00 C ATOM 1940 O SER A 125 -15.672 12.450 13.371 1.00 0.00 O ATOM 1941 CB SER A 125 -13.661 9.713 12.679 1.00 0.00 C ATOM 1942 OG SER A 125 -13.955 8.870 13.763 1.00 0.00 O ATOM 1943 OXT SER A 125 -15.429 10.785 14.798 1.00 0.00 O ATOM 0 H SER A 125 -12.157 10.478 14.543 1.00 0.00 H new ATOM 0 HA SER A 125 -13.508 11.833 12.399 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.404 9.602 11.889 1.00 0.00 H new ATOM 0 HB3 SER A 125 -12.693 9.462 12.244 1.00 0.00 H new ATOM 0 HG SER A 125 -14.349 9.397 14.489 1.00 0.00 H new