USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 590 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.4!) USER MOD Single : A 23 ASN : amide:sc= -1.78 K(o=-1.8,f=-14!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 50:sc= -0.0399! USER MOD Single : A 29 SER OG : rot 180:sc= -0.0333 USER MOD Single : A 33 HIS : no HE2:sc= -2.12! C(o=-2.1!,f=-3.8!) USER MOD Single : A 35 MET CE :methyl 166:sc= -0.113 (180deg=-0.194) USER MOD Single : A 37 ASN : amide:sc= -1.17 K(o=-1.2,f=0.16) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 49 GLN : amide:sc= -3.43! X(o=-3.4!,f=-3) USER MOD Single : A 50 MET CE :methyl 159:sc= -1.26 (180deg=-1.87) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc=-0.00901 X(o=-0.009,f=-0.33) USER MOD Single : A 63 ASN : amide:sc= -2.41 K(o=-2.4,f=-19!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -148:sc= -2.59 (180deg=-5.13!) USER MOD Single : A 71 MET CE :methyl 176:sc= -1.69 (180deg=-1.8) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 82:sc= 0.276 USER MOD Single : A 81 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.085 -2.019 -2.928 1.00 0.00 N ATOM 108 CA GLU A 9 13.975 -1.187 -4.120 1.00 0.00 C ATOM 109 C GLU A 9 12.510 -0.996 -4.503 1.00 0.00 C ATOM 110 O GLU A 9 12.055 0.124 -4.722 1.00 0.00 O ATOM 111 CB GLU A 9 14.722 -1.845 -5.284 1.00 0.00 C ATOM 112 CG GLU A 9 14.791 -0.876 -6.469 1.00 0.00 C ATOM 113 CD GLU A 9 15.757 0.262 -6.153 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.418 0.185 -5.130 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.819 1.194 -6.938 1.00 0.00 O ATOM 0 HA GLU A 9 14.416 -0.214 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.728 -2.124 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.215 -2.763 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.119 -1.405 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.800 -0.475 -6.681 1.00 0.00 H new ATOM 122 N GLU A 10 11.775 -2.095 -4.583 1.00 0.00 N ATOM 123 CA GLU A 10 10.367 -2.030 -4.944 1.00 0.00 C ATOM 124 C GLU A 10 9.582 -1.202 -3.928 1.00 0.00 C ATOM 125 O GLU A 10 8.842 -0.302 -4.300 1.00 0.00 O ATOM 126 CB GLU A 10 9.776 -3.442 -5.002 1.00 0.00 C ATOM 127 CG GLU A 10 8.315 -3.375 -5.464 1.00 0.00 C ATOM 128 CD GLU A 10 7.703 -4.769 -5.472 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.316 -5.232 -4.406 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.629 -5.355 -6.538 1.00 0.00 O ATOM 0 H GLU A 10 12.127 -3.036 -4.404 1.00 0.00 H new ATOM 0 HA GLU A 10 10.291 -1.556 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.356 -4.061 -5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.835 -3.912 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.746 -2.723 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.261 -2.940 -6.462 1.00 0.00 H new ATOM 137 N LEU A 11 9.752 -1.504 -2.645 1.00 0.00 N ATOM 138 CA LEU A 11 9.048 -0.791 -1.610 1.00 0.00 C ATOM 139 C LEU A 11 9.165 0.710 -1.818 1.00 0.00 C ATOM 140 O LEU A 11 8.158 1.413 -1.911 1.00 0.00 O ATOM 141 CB LEU A 11 9.640 -1.168 -0.241 1.00 0.00 C ATOM 142 CG LEU A 11 9.016 -0.298 0.843 1.00 0.00 C ATOM 143 CD1 LEU A 11 7.487 -0.439 0.813 1.00 0.00 C ATOM 144 CD2 LEU A 11 9.542 -0.720 2.215 1.00 0.00 C ATOM 0 H LEU A 11 10.373 -2.239 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 11 7.994 -1.066 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.452 -2.221 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.722 -1.033 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 11 9.284 0.742 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.049 0.186 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.112 -0.124 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.214 -1.480 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.092 -0.094 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.284 -1.763 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.626 -0.604 2.241 1.00 0.00 H new ATOM 156 N LYS A 12 10.399 1.203 -1.874 1.00 0.00 N ATOM 157 CA LYS A 12 10.623 2.632 -2.051 1.00 0.00 C ATOM 158 C LYS A 12 10.068 3.114 -3.388 1.00 0.00 C ATOM 159 O LYS A 12 9.348 4.111 -3.448 1.00 0.00 O ATOM 160 CB LYS A 12 12.123 2.939 -1.979 1.00 0.00 C ATOM 161 CG LYS A 12 12.602 2.829 -0.530 1.00 0.00 C ATOM 162 CD LYS A 12 14.072 3.247 -0.445 1.00 0.00 C ATOM 163 CE LYS A 12 14.500 3.302 1.022 1.00 0.00 C ATOM 164 NZ LYS A 12 15.919 3.755 1.106 1.00 0.00 N ATOM 0 H LYS A 12 11.248 0.642 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 12 10.102 3.157 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.677 2.244 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.318 3.941 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.994 3.464 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.483 1.806 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.695 2.539 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.212 4.221 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.855 3.985 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.392 2.319 1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.213 3.793 2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.528 3.087 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.007 4.701 0.683 1.00 0.00 H new ATOM 178 N GLU A 13 10.398 2.397 -4.456 1.00 0.00 N ATOM 179 CA GLU A 13 9.922 2.767 -5.783 1.00 0.00 C ATOM 180 C GLU A 13 8.396 2.776 -5.820 1.00 0.00 C ATOM 181 O GLU A 13 7.781 3.754 -6.254 1.00 0.00 O ATOM 182 CB GLU A 13 10.469 1.765 -6.813 1.00 0.00 C ATOM 183 CG GLU A 13 11.910 2.131 -7.177 1.00 0.00 C ATOM 184 CD GLU A 13 12.728 2.405 -5.917 1.00 0.00 C ATOM 185 OE1 GLU A 13 12.458 3.395 -5.262 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.609 1.622 -5.623 1.00 0.00 O ATOM 0 H GLU A 13 10.987 1.565 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 13 10.276 3.769 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.432 0.754 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.845 1.771 -7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.365 1.319 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.916 3.011 -7.820 1.00 0.00 H new ATOM 193 N ALA A 14 7.795 1.691 -5.351 1.00 0.00 N ATOM 194 CA ALA A 14 6.344 1.587 -5.331 1.00 0.00 C ATOM 195 C ALA A 14 5.750 2.746 -4.540 1.00 0.00 C ATOM 196 O ALA A 14 4.783 3.375 -4.971 1.00 0.00 O ATOM 197 CB ALA A 14 5.922 0.260 -4.694 1.00 0.00 C ATOM 0 H ALA A 14 8.286 0.877 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 14 5.975 1.625 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.834 0.191 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.332 -0.568 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.299 0.211 -3.672 1.00 0.00 H new ATOM 203 N PHE A 15 6.338 3.031 -3.382 1.00 0.00 N ATOM 204 CA PHE A 15 5.857 4.122 -2.540 1.00 0.00 C ATOM 205 C PHE A 15 5.829 5.426 -3.330 1.00 0.00 C ATOM 206 O PHE A 15 4.863 6.185 -3.257 1.00 0.00 O ATOM 207 CB PHE A 15 6.771 4.280 -1.321 1.00 0.00 C ATOM 208 CG PHE A 15 6.337 5.485 -0.516 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.145 5.445 0.215 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.125 6.644 -0.507 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.740 6.563 0.957 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.721 7.760 0.234 1.00 0.00 C ATOM 213 CZ PHE A 15 5.529 7.719 0.966 1.00 0.00 C ATOM 0 H PHE A 15 7.142 2.527 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 15 4.846 3.887 -2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.729 3.383 -0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.806 4.398 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.537 4.553 0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.045 6.676 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.820 6.532 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.329 8.653 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.218 8.580 1.538 1.00 0.00 H new ATOM 223 N LYS A 16 6.892 5.678 -4.084 1.00 0.00 N ATOM 224 CA LYS A 16 6.974 6.894 -4.887 1.00 0.00 C ATOM 225 C LYS A 16 5.856 6.924 -5.925 1.00 0.00 C ATOM 226 O LYS A 16 5.318 7.987 -6.241 1.00 0.00 O ATOM 227 CB LYS A 16 8.328 6.965 -5.590 1.00 0.00 C ATOM 228 CG LYS A 16 8.568 8.388 -6.099 1.00 0.00 C ATOM 229 CD LYS A 16 9.803 8.408 -7.005 1.00 0.00 C ATOM 230 CE LYS A 16 11.060 8.139 -6.173 1.00 0.00 C ATOM 231 NZ LYS A 16 12.263 8.549 -6.944 1.00 0.00 N ATOM 0 H LYS A 16 7.703 5.064 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 16 6.865 7.753 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.122 6.675 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.355 6.261 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.695 8.740 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.710 9.067 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.705 7.654 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.885 9.374 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.012 8.690 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.121 7.081 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.117 8.366 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.311 8.004 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.205 9.564 -7.165 1.00 0.00 H new ATOM 245 N VAL A 17 5.512 5.753 -6.449 1.00 0.00 N ATOM 246 CA VAL A 17 4.445 5.650 -7.440 1.00 0.00 C ATOM 247 C VAL A 17 3.083 5.879 -6.788 1.00 0.00 C ATOM 248 O VAL A 17 2.216 6.553 -7.348 1.00 0.00 O ATOM 249 CB VAL A 17 4.481 4.283 -8.114 1.00 0.00 C ATOM 250 CG1 VAL A 17 3.318 4.170 -9.102 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.804 4.125 -8.865 1.00 0.00 C ATOM 0 H VAL A 17 5.953 4.866 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 17 4.601 6.420 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 17 4.393 3.501 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.344 3.193 -9.584 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.375 4.287 -8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.406 4.950 -9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.834 3.149 -9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.889 4.906 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.633 4.207 -8.162 1.00 0.00 H new ATOM 261 N PHE A 18 2.897 5.301 -5.605 1.00 0.00 N ATOM 262 CA PHE A 18 1.634 5.447 -4.888 1.00 0.00 C ATOM 263 C PHE A 18 1.387 6.906 -4.532 1.00 0.00 C ATOM 264 O PHE A 18 0.281 7.417 -4.707 1.00 0.00 O ATOM 265 CB PHE A 18 1.662 4.585 -3.603 1.00 0.00 C ATOM 266 CG PHE A 18 0.787 3.368 -3.779 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.577 3.445 -3.473 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.336 2.174 -4.253 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.394 2.326 -3.642 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.518 1.054 -4.422 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.847 1.130 -4.116 1.00 0.00 C ATOM 0 H PHE A 18 3.596 4.733 -5.126 1.00 0.00 H new ATOM 0 HA PHE A 18 0.823 5.108 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.685 4.279 -3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.315 5.173 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.997 4.370 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.389 2.117 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.447 2.384 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.938 0.129 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.478 0.263 -4.247 1.00 0.00 H new ATOM 281 N ASP A 19 2.422 7.567 -4.027 1.00 0.00 N ATOM 282 CA ASP A 19 2.299 8.965 -3.641 1.00 0.00 C ATOM 283 C ASP A 19 2.387 9.864 -4.869 1.00 0.00 C ATOM 284 O ASP A 19 3.372 10.573 -5.062 1.00 0.00 O ATOM 285 CB ASP A 19 3.408 9.335 -2.655 1.00 0.00 C ATOM 286 CG ASP A 19 3.278 8.509 -1.380 1.00 0.00 C ATOM 287 OD1 ASP A 19 3.634 7.345 -1.414 1.00 0.00 O ATOM 288 OD2 ASP A 19 2.825 9.054 -0.387 1.00 0.00 O ATOM 0 H ASP A 19 3.346 7.162 -3.877 1.00 0.00 H new ATOM 0 HA ASP A 19 1.329 9.109 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.383 9.162 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.352 10.397 -2.416 1.00 0.00 H new ATOM 293 N LYS A 20 1.347 9.827 -5.694 1.00 0.00 N ATOM 294 CA LYS A 20 1.318 10.640 -6.904 1.00 0.00 C ATOM 295 C LYS A 20 1.538 12.109 -6.560 1.00 0.00 C ATOM 296 O LYS A 20 2.277 12.812 -7.250 1.00 0.00 O ATOM 297 CB LYS A 20 -0.032 10.480 -7.605 1.00 0.00 C ATOM 298 CG LYS A 20 -0.018 11.255 -8.925 1.00 0.00 C ATOM 299 CD LYS A 20 -1.290 10.941 -9.719 1.00 0.00 C ATOM 300 CE LYS A 20 -2.508 11.538 -9.007 1.00 0.00 C ATOM 301 NZ LYS A 20 -3.655 11.595 -9.952 1.00 0.00 N ATOM 0 H LYS A 20 0.520 9.248 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 20 2.116 10.305 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.233 9.425 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.833 10.848 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.046 12.325 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.863 10.985 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.210 11.349 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.409 9.862 -9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.768 10.933 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.275 12.538 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.482 12.000 -9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.404 12.190 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.882 10.635 -10.281 1.00 0.00 H new ATOM 315 N ASP A 21 0.896 12.564 -5.490 1.00 0.00 N ATOM 316 CA ASP A 21 1.031 13.949 -5.064 1.00 0.00 C ATOM 317 C ASP A 21 2.344 14.155 -4.332 1.00 0.00 C ATOM 318 O ASP A 21 2.664 15.276 -3.944 1.00 0.00 O ATOM 319 CB ASP A 21 -0.126 14.337 -4.146 1.00 0.00 C ATOM 320 CG ASP A 21 0.002 13.613 -2.809 1.00 0.00 C ATOM 321 OD1 ASP A 21 0.878 12.772 -2.697 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.779 13.905 -1.922 1.00 0.00 O ATOM 0 H ASP A 21 0.281 11.997 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 21 1.014 14.580 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.128 15.415 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.076 14.083 -4.617 1.00 0.00 H new ATOM 327 N GLN A 22 3.102 13.073 -4.150 1.00 0.00 N ATOM 328 CA GLN A 22 4.395 13.153 -3.470 1.00 0.00 C ATOM 329 C GLN A 22 4.330 14.112 -2.286 1.00 0.00 C ATOM 330 O GLN A 22 5.257 14.887 -2.050 1.00 0.00 O ATOM 331 CB GLN A 22 5.481 13.610 -4.452 1.00 0.00 C ATOM 332 CG GLN A 22 5.129 14.987 -5.032 1.00 0.00 C ATOM 333 CD GLN A 22 6.282 15.526 -5.846 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.438 15.249 -5.542 1.00 0.00 O ATOM 335 NE2 GLN A 22 6.032 16.297 -6.868 1.00 0.00 N ATOM 0 H GLN A 22 2.845 12.136 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 22 4.644 12.160 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.444 13.657 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.581 12.883 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.239 14.909 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.891 15.679 -4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.068 16.522 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.801 16.675 -7.422 1.00 0.00 H new ATOM 344 N ASN A 23 3.224 14.067 -1.554 1.00 0.00 N ATOM 345 CA ASN A 23 3.046 14.948 -0.404 1.00 0.00 C ATOM 346 C ASN A 23 3.690 14.340 0.833 1.00 0.00 C ATOM 347 O ASN A 23 3.747 14.970 1.886 1.00 0.00 O ATOM 348 CB ASN A 23 1.556 15.184 -0.152 1.00 0.00 C ATOM 349 CG ASN A 23 0.899 13.899 0.329 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.490 12.827 0.227 1.00 0.00 O ATOM 351 ND2 ASN A 23 -0.293 13.940 0.854 1.00 0.00 N ATOM 0 H ASN A 23 2.442 13.436 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 23 3.528 15.902 -0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.425 15.970 0.592 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.074 15.528 -1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.736 13.081 1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.783 14.831 0.938 1.00 0.00 H new ATOM 358 N GLY A 24 4.172 13.107 0.696 1.00 0.00 N ATOM 359 CA GLY A 24 4.812 12.417 1.813 1.00 0.00 C ATOM 360 C GLY A 24 3.783 11.678 2.661 1.00 0.00 C ATOM 361 O GLY A 24 4.088 11.223 3.763 1.00 0.00 O ATOM 0 H GLY A 24 4.132 12.569 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.551 11.711 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.348 13.137 2.431 1.00 0.00 H new ATOM 365 N TYR A 25 2.566 11.563 2.143 1.00 0.00 N ATOM 366 CA TYR A 25 1.499 10.877 2.862 1.00 0.00 C ATOM 367 C TYR A 25 0.462 10.336 1.888 1.00 0.00 C ATOM 368 O TYR A 25 -0.098 11.083 1.084 1.00 0.00 O ATOM 369 CB TYR A 25 0.831 11.841 3.844 1.00 0.00 C ATOM 370 CG TYR A 25 1.872 12.421 4.769 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.220 11.743 5.943 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.490 13.636 4.452 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.188 12.281 6.801 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.456 14.174 5.310 1.00 0.00 C ATOM 375 CZ TYR A 25 3.806 13.497 6.485 1.00 0.00 C ATOM 376 OH TYR A 25 4.758 14.027 7.330 1.00 0.00 O ATOM 0 H TYR A 25 2.294 11.934 1.233 1.00 0.00 H new ATOM 0 HA TYR A 25 1.932 10.042 3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.328 12.640 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.068 11.318 4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.743 10.806 6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.222 14.158 3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.458 11.758 7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.932 15.112 5.066 1.00 0.00 H new ATOM 0 HH TYR A 25 5.087 14.874 6.962 1.00 0.00 H new ATOM 386 N ILE A 26 0.204 9.035 1.967 1.00 0.00 N ATOM 387 CA ILE A 26 -0.770 8.397 1.088 1.00 0.00 C ATOM 388 C ILE A 26 -2.179 8.574 1.630 1.00 0.00 C ATOM 389 O ILE A 26 -2.416 8.408 2.824 1.00 0.00 O ATOM 390 CB ILE A 26 -0.458 6.911 0.941 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.900 6.738 0.262 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.544 6.240 0.095 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.333 5.275 0.351 1.00 0.00 C ATOM 0 H ILE A 26 0.654 8.403 2.629 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.708 8.874 0.110 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.431 6.448 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.839 7.047 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.642 7.377 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.320 5.178 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.511 6.360 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.575 6.703 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.302 5.152 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.411 4.982 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.595 4.646 -0.148 1.00 0.00 H new ATOM 405 N SER A 27 -3.117 8.903 0.742 1.00 0.00 N ATOM 406 CA SER A 27 -4.516 9.093 1.139 1.00 0.00 C ATOM 407 C SER A 27 -5.413 8.095 0.417 1.00 0.00 C ATOM 408 O SER A 27 -4.930 7.153 -0.214 1.00 0.00 O ATOM 409 CB SER A 27 -4.962 10.515 0.811 1.00 0.00 C ATOM 410 OG SER A 27 -6.339 10.653 1.133 1.00 0.00 O ATOM 0 H SER A 27 -2.937 9.043 -0.252 1.00 0.00 H new ATOM 0 HA SER A 27 -4.598 8.928 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.369 11.235 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.799 10.726 -0.246 1.00 0.00 H new ATOM 0 HG SER A 27 -6.497 10.323 2.042 1.00 0.00 H new ATOM 416 N ALA A 28 -6.719 8.305 0.518 1.00 0.00 N ATOM 417 CA ALA A 28 -7.678 7.417 -0.131 1.00 0.00 C ATOM 418 C ALA A 28 -7.714 7.666 -1.635 1.00 0.00 C ATOM 419 O ALA A 28 -7.752 6.728 -2.430 1.00 0.00 O ATOM 420 CB ALA A 28 -9.074 7.639 0.459 1.00 0.00 C ATOM 0 H ALA A 28 -7.137 9.076 1.039 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.366 6.387 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.786 6.973 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.055 7.428 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.376 8.674 0.299 1.00 0.00 H new ATOM 426 N SER A 29 -7.706 8.938 -2.017 1.00 0.00 N ATOM 427 CA SER A 29 -7.751 9.300 -3.429 1.00 0.00 C ATOM 428 C SER A 29 -6.594 8.661 -4.182 1.00 0.00 C ATOM 429 O SER A 29 -6.763 8.172 -5.299 1.00 0.00 O ATOM 430 CB SER A 29 -7.680 10.822 -3.578 1.00 0.00 C ATOM 431 OG SER A 29 -6.476 11.295 -2.988 1.00 0.00 O ATOM 0 H SER A 29 -7.669 9.730 -1.375 1.00 0.00 H new ATOM 0 HA SER A 29 -8.688 8.935 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.715 11.098 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.541 11.287 -3.098 1.00 0.00 H new ATOM 0 HG SER A 29 -6.426 12.269 -3.083 1.00 0.00 H new ATOM 437 N GLU A 30 -5.420 8.661 -3.562 1.00 0.00 N ATOM 438 CA GLU A 30 -4.244 8.071 -4.187 1.00 0.00 C ATOM 439 C GLU A 30 -4.410 6.562 -4.333 1.00 0.00 C ATOM 440 O GLU A 30 -4.096 5.991 -5.378 1.00 0.00 O ATOM 441 CB GLU A 30 -3.001 8.370 -3.343 1.00 0.00 C ATOM 442 CG GLU A 30 -2.700 9.868 -3.389 1.00 0.00 C ATOM 443 CD GLU A 30 -1.453 10.171 -2.569 1.00 0.00 C ATOM 444 OE1 GLU A 30 -0.786 9.230 -2.179 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.174 11.338 -2.355 1.00 0.00 O ATOM 0 H GLU A 30 -5.258 9.059 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.126 8.508 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.163 8.053 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.148 7.805 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.554 10.187 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.548 10.430 -2.999 1.00 0.00 H new ATOM 452 N LEU A 31 -4.894 5.920 -3.278 1.00 0.00 N ATOM 453 CA LEU A 31 -5.072 4.476 -3.301 1.00 0.00 C ATOM 454 C LEU A 31 -6.054 4.084 -4.404 1.00 0.00 C ATOM 455 O LEU A 31 -5.807 3.154 -5.175 1.00 0.00 O ATOM 456 CB LEU A 31 -5.606 4.001 -1.935 1.00 0.00 C ATOM 457 CG LEU A 31 -5.102 2.585 -1.644 1.00 0.00 C ATOM 458 CD1 LEU A 31 -5.614 2.128 -0.279 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.593 1.624 -2.735 1.00 0.00 C ATOM 0 H LEU A 31 -5.167 6.371 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.111 4.002 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.278 4.682 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.696 4.016 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.012 2.585 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.254 1.120 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.250 2.807 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.704 2.131 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.232 0.618 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.683 1.622 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.214 1.949 -3.704 1.00 0.00 H new ATOM 471 N ARG A 32 -7.168 4.802 -4.480 1.00 0.00 N ATOM 472 CA ARG A 32 -8.169 4.516 -5.494 1.00 0.00 C ATOM 473 C ARG A 32 -7.586 4.723 -6.887 1.00 0.00 C ATOM 474 O ARG A 32 -7.792 3.906 -7.785 1.00 0.00 O ATOM 475 CB ARG A 32 -9.380 5.439 -5.305 1.00 0.00 C ATOM 476 CG ARG A 32 -10.377 5.225 -6.446 1.00 0.00 C ATOM 477 CD ARG A 32 -11.591 6.127 -6.243 1.00 0.00 C ATOM 478 NE ARG A 32 -12.313 5.742 -5.036 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.377 6.422 -4.623 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.794 7.455 -5.302 1.00 0.00 N ATOM 481 NH2 ARG A 32 -14.005 6.057 -3.538 1.00 0.00 N ATOM 0 H ARG A 32 -7.397 5.577 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.483 3.477 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.859 5.234 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.056 6.480 -5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.903 5.446 -7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.689 4.181 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.271 7.166 -6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.252 6.059 -7.107 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.995 4.935 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.303 7.740 -6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.611 7.977 -4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.679 5.249 -3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.822 6.579 -3.221 1.00 0.00 H new ATOM 495 N HIS A 33 -6.868 5.825 -7.065 1.00 0.00 N ATOM 496 CA HIS A 33 -6.275 6.134 -8.363 1.00 0.00 C ATOM 497 C HIS A 33 -5.376 4.995 -8.823 1.00 0.00 C ATOM 498 O HIS A 33 -5.409 4.594 -9.987 1.00 0.00 O ATOM 499 CB HIS A 33 -5.456 7.427 -8.266 1.00 0.00 C ATOM 500 CG HIS A 33 -6.381 8.613 -8.243 1.00 0.00 C ATOM 501 ND1 HIS A 33 -6.291 9.604 -7.279 1.00 0.00 N ATOM 502 CD2 HIS A 33 -7.422 8.977 -9.061 1.00 0.00 C ATOM 503 CE1 HIS A 33 -7.253 10.509 -7.538 1.00 0.00 C ATOM 504 NE2 HIS A 33 -7.970 10.176 -8.613 1.00 0.00 N ATOM 0 H HIS A 33 -6.683 6.514 -6.336 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.077 6.264 -9.089 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.843 7.414 -7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.775 7.502 -9.113 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.619 9.641 -6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.763 8.419 -9.920 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.424 11.397 -6.947 1.00 0.00 H new ATOM 512 N VAL A 34 -4.577 4.478 -7.903 1.00 0.00 N ATOM 513 CA VAL A 34 -3.668 3.381 -8.221 1.00 0.00 C ATOM 514 C VAL A 34 -4.453 2.124 -8.588 1.00 0.00 C ATOM 515 O VAL A 34 -4.086 1.391 -9.516 1.00 0.00 O ATOM 516 CB VAL A 34 -2.749 3.093 -7.032 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.900 1.853 -7.325 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.828 4.295 -6.798 1.00 0.00 C ATOM 0 H VAL A 34 -4.537 4.796 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.060 3.676 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.354 2.916 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.247 1.651 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.553 0.996 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.295 2.028 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.172 4.092 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.226 4.471 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.430 5.179 -6.587 1.00 0.00 H new ATOM 528 N MET A 35 -5.525 1.867 -7.843 1.00 0.00 N ATOM 529 CA MET A 35 -6.340 0.684 -8.091 1.00 0.00 C ATOM 530 C MET A 35 -6.914 0.727 -9.501 1.00 0.00 C ATOM 531 O MET A 35 -6.924 -0.285 -10.205 1.00 0.00 O ATOM 532 CB MET A 35 -7.478 0.622 -7.064 1.00 0.00 C ATOM 533 CG MET A 35 -6.930 0.139 -5.718 1.00 0.00 C ATOM 534 SD MET A 35 -6.492 -1.613 -5.839 1.00 0.00 S ATOM 535 CE MET A 35 -5.831 -1.798 -4.165 1.00 0.00 C ATOM 0 H MET A 35 -5.846 2.454 -7.073 1.00 0.00 H new ATOM 0 HA MET A 35 -5.717 -0.205 -7.995 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.933 1.606 -6.951 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.260 -0.053 -7.413 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.055 0.725 -5.438 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.675 0.285 -4.936 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.727 -2.857 -3.930 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.856 -1.315 -4.104 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.512 -1.333 -3.452 1.00 0.00 H new ATOM 545 N ILE A 36 -7.386 1.895 -9.911 1.00 0.00 N ATOM 546 CA ILE A 36 -7.949 2.051 -11.245 1.00 0.00 C ATOM 547 C ILE A 36 -6.866 1.877 -12.300 1.00 0.00 C ATOM 548 O ILE A 36 -7.075 1.214 -13.318 1.00 0.00 O ATOM 549 CB ILE A 36 -8.598 3.432 -11.380 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.811 3.525 -10.436 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.060 3.647 -12.831 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.047 2.895 -11.096 1.00 0.00 C ATOM 0 H ILE A 36 -7.391 2.743 -9.344 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.709 1.285 -11.397 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.871 4.199 -11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.591 3.015 -9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.012 4.568 -10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.521 4.630 -12.924 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.201 3.584 -13.499 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.785 2.879 -13.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.898 2.967 -10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.274 3.424 -12.022 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.847 1.847 -11.317 1.00 0.00 H new ATOM 564 N ASN A 37 -5.710 2.478 -12.049 1.00 0.00 N ATOM 565 CA ASN A 37 -4.591 2.384 -12.984 1.00 0.00 C ATOM 566 C ASN A 37 -4.256 0.920 -13.241 1.00 0.00 C ATOM 567 O ASN A 37 -3.844 0.553 -14.341 1.00 0.00 O ATOM 568 CB ASN A 37 -3.367 3.106 -12.407 1.00 0.00 C ATOM 569 CG ASN A 37 -3.485 4.608 -12.641 1.00 0.00 C ATOM 570 OD1 ASN A 37 -3.859 5.352 -11.734 1.00 0.00 O ATOM 571 ND2 ASN A 37 -3.191 5.099 -13.814 1.00 0.00 N ATOM 0 H ASN A 37 -5.521 3.032 -11.214 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.871 2.857 -13.925 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.285 2.902 -11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.458 2.728 -12.875 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.271 6.102 -13.982 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.881 4.480 -14.563 1.00 0.00 H new ATOM 578 N LEU A 38 -4.440 0.089 -12.221 1.00 0.00 N ATOM 579 CA LEU A 38 -4.159 -1.337 -12.355 1.00 0.00 C ATOM 580 C LEU A 38 -5.291 -2.041 -13.092 1.00 0.00 C ATOM 581 O LEU A 38 -5.281 -3.264 -13.239 1.00 0.00 O ATOM 582 CB LEU A 38 -3.980 -1.967 -10.972 1.00 0.00 C ATOM 583 CG LEU A 38 -2.697 -1.427 -10.326 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.668 -1.819 -8.846 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.460 -2.011 -11.036 1.00 0.00 C ATOM 0 H LEU A 38 -4.779 0.373 -11.302 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.240 -1.453 -12.929 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.840 -1.739 -10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.927 -3.052 -11.059 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.681 -0.341 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.757 -1.436 -8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.536 -1.395 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.691 -2.905 -8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.555 -1.621 -10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.472 -3.098 -10.953 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.477 -1.728 -12.088 1.00 0.00 H new ATOM 597 N GLY A 39 -6.259 -1.261 -13.557 1.00 0.00 N ATOM 598 CA GLY A 39 -7.392 -1.822 -14.284 1.00 0.00 C ATOM 599 C GLY A 39 -8.352 -2.524 -13.338 1.00 0.00 C ATOM 600 O GLY A 39 -9.034 -3.472 -13.722 1.00 0.00 O ATOM 0 H GLY A 39 -6.283 -0.247 -13.446 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.916 -1.028 -14.817 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.034 -2.527 -15.034 1.00 0.00 H new ATOM 604 N GLU A 40 -8.400 -2.057 -12.091 1.00 0.00 N ATOM 605 CA GLU A 40 -9.282 -2.649 -11.085 1.00 0.00 C ATOM 606 C GLU A 40 -10.137 -1.577 -10.427 1.00 0.00 C ATOM 607 O GLU A 40 -9.704 -0.444 -10.257 1.00 0.00 O ATOM 608 CB GLU A 40 -8.451 -3.354 -10.019 1.00 0.00 C ATOM 609 CG GLU A 40 -7.790 -4.594 -10.624 1.00 0.00 C ATOM 610 CD GLU A 40 -6.943 -5.300 -9.571 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.833 -4.775 -8.476 1.00 0.00 O ATOM 612 OE2 GLU A 40 -6.429 -6.362 -9.871 1.00 0.00 O ATOM 0 H GLU A 40 -7.841 -1.273 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.934 -3.369 -11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.691 -2.677 -9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.084 -3.640 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.553 -5.274 -11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.167 -4.307 -11.471 1.00 0.00 H new ATOM 619 N LYS A 41 -11.358 -1.945 -10.059 1.00 0.00 N ATOM 620 CA LYS A 41 -12.283 -1.009 -9.414 1.00 0.00 C ATOM 621 C LYS A 41 -12.683 -1.531 -8.042 1.00 0.00 C ATOM 622 O LYS A 41 -13.422 -2.505 -7.922 1.00 0.00 O ATOM 623 CB LYS A 41 -13.528 -0.824 -10.283 1.00 0.00 C ATOM 624 CG LYS A 41 -14.085 -2.191 -10.704 1.00 0.00 C ATOM 625 CD LYS A 41 -15.079 -2.010 -11.845 1.00 0.00 C ATOM 626 CE LYS A 41 -16.303 -1.242 -11.343 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.412 -1.383 -12.326 1.00 0.00 N ATOM 0 H LYS A 41 -11.735 -2.883 -10.194 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.785 -0.047 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.286 -0.268 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.280 -0.236 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.272 -2.845 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.573 -2.673 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.610 -1.469 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.382 -2.982 -12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.613 -1.625 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.055 -0.189 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.245 -0.861 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.113 -0.998 -13.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.654 -2.389 -12.435 1.00 0.00 H new ATOM 641 N LEU A 42 -12.186 -0.880 -7.001 1.00 0.00 N ATOM 642 CA LEU A 42 -12.492 -1.292 -5.627 1.00 0.00 C ATOM 643 C LEU A 42 -13.466 -0.314 -4.985 1.00 0.00 C ATOM 644 O LEU A 42 -13.506 0.866 -5.333 1.00 0.00 O ATOM 645 CB LEU A 42 -11.201 -1.349 -4.801 1.00 0.00 C ATOM 646 CG LEU A 42 -10.469 -2.668 -5.076 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.097 -2.754 -6.563 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.202 -2.733 -4.221 1.00 0.00 C ATOM 0 H LEU A 42 -11.572 -0.069 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.950 -2.281 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.558 -0.506 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.433 -1.265 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.120 -3.505 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.577 -3.693 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.003 -2.711 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.447 -1.919 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.680 -3.670 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.550 -1.896 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.472 -2.679 -3.166 1.00 0.00 H new ATOM 660 N THR A 43 -14.256 -0.817 -4.043 1.00 0.00 N ATOM 661 CA THR A 43 -15.231 0.019 -3.355 1.00 0.00 C ATOM 662 C THR A 43 -14.539 0.933 -2.348 1.00 0.00 C ATOM 663 O THR A 43 -13.513 0.578 -1.773 1.00 0.00 O ATOM 664 CB THR A 43 -16.256 -0.867 -2.629 1.00 0.00 C ATOM 665 OG1 THR A 43 -15.603 -2.023 -2.121 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.359 -1.286 -3.597 1.00 0.00 C ATOM 0 H THR A 43 -14.241 -1.791 -3.741 1.00 0.00 H new ATOM 0 HA THR A 43 -15.742 0.636 -4.094 1.00 0.00 H new ATOM 0 HB THR A 43 -16.699 -0.306 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.254 -2.589 -1.656 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.082 -1.914 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.861 -0.399 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 43 -16.923 -1.845 -4.425 1.00 0.00 H new ATOM 674 N ASP A 44 -15.115 2.112 -2.143 1.00 0.00 N ATOM 675 CA ASP A 44 -14.550 3.070 -1.203 1.00 0.00 C ATOM 676 C ASP A 44 -14.259 2.393 0.130 1.00 0.00 C ATOM 677 O ASP A 44 -13.279 2.719 0.802 1.00 0.00 O ATOM 678 CB ASP A 44 -15.529 4.227 -0.986 1.00 0.00 C ATOM 679 CG ASP A 44 -14.830 5.371 -0.257 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.615 5.445 -0.338 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.520 6.155 0.372 1.00 0.00 O ATOM 0 H ASP A 44 -15.966 2.425 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.618 3.456 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.911 4.576 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.386 3.885 -0.406 1.00 0.00 H new ATOM 686 N GLU A 45 -15.113 1.447 0.508 1.00 0.00 N ATOM 687 CA GLU A 45 -14.931 0.736 1.770 1.00 0.00 C ATOM 688 C GLU A 45 -13.564 0.065 1.813 1.00 0.00 C ATOM 689 O GLU A 45 -12.881 0.100 2.834 1.00 0.00 O ATOM 690 CB GLU A 45 -16.025 -0.321 1.932 1.00 0.00 C ATOM 691 CG GLU A 45 -15.895 -0.991 3.303 1.00 0.00 C ATOM 692 CD GLU A 45 -17.006 -2.018 3.489 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.690 -2.304 2.520 1.00 0.00 O ATOM 694 OE2 GLU A 45 -17.150 -2.511 4.596 1.00 0.00 O ATOM 0 H GLU A 45 -15.928 1.157 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.995 1.456 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.008 0.140 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.943 -1.068 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.922 -1.476 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.948 -0.239 4.091 1.00 0.00 H new ATOM 701 N GLU A 46 -13.172 -0.544 0.698 1.00 0.00 N ATOM 702 CA GLU A 46 -11.881 -1.222 0.621 1.00 0.00 C ATOM 703 C GLU A 46 -10.742 -0.251 0.934 1.00 0.00 C ATOM 704 O GLU A 46 -9.783 -0.584 1.636 1.00 0.00 O ATOM 705 CB GLU A 46 -11.683 -1.805 -0.776 1.00 0.00 C ATOM 706 CG GLU A 46 -12.700 -2.923 -1.017 1.00 0.00 C ATOM 707 CD GLU A 46 -12.427 -4.092 -0.076 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.309 -4.192 0.401 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.340 -4.868 0.155 1.00 0.00 O ATOM 0 H GLU A 46 -13.724 -0.583 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.870 -2.025 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.802 -1.024 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.670 -2.194 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.710 -2.546 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.644 -3.259 -2.052 1.00 0.00 H new ATOM 716 N VAL A 47 -10.852 0.957 0.411 1.00 0.00 N ATOM 717 CA VAL A 47 -9.826 1.967 0.643 1.00 0.00 C ATOM 718 C VAL A 47 -9.801 2.386 2.108 1.00 0.00 C ATOM 719 O VAL A 47 -8.734 2.567 2.701 1.00 0.00 O ATOM 720 CB VAL A 47 -10.088 3.190 -0.238 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.094 4.299 0.110 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.921 2.804 -1.706 1.00 0.00 C ATOM 0 H VAL A 47 -11.631 1.264 -0.172 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.858 1.536 0.388 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.103 3.547 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.284 5.168 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.211 4.577 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.078 3.943 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.107 3.675 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.906 2.445 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.631 2.016 -1.958 1.00 0.00 H new ATOM 732 N GLU A 48 -10.980 2.574 2.683 1.00 0.00 N ATOM 733 CA GLU A 48 -11.072 3.005 4.072 1.00 0.00 C ATOM 734 C GLU A 48 -10.510 1.957 5.022 1.00 0.00 C ATOM 735 O GLU A 48 -9.661 2.263 5.855 1.00 0.00 O ATOM 736 CB GLU A 48 -12.553 3.286 4.427 1.00 0.00 C ATOM 737 CG GLU A 48 -12.839 4.787 4.345 1.00 0.00 C ATOM 738 CD GLU A 48 -12.582 5.292 2.933 1.00 0.00 C ATOM 739 OE1 GLU A 48 -12.349 4.470 2.065 1.00 0.00 O ATOM 740 OE2 GLU A 48 -12.609 6.496 2.741 1.00 0.00 O ATOM 0 H GLU A 48 -11.877 2.437 2.217 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.480 3.913 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.208 2.746 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.770 2.921 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.873 4.984 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.208 5.325 5.052 1.00 0.00 H new ATOM 747 N GLN A 49 -11.002 0.735 4.898 1.00 0.00 N ATOM 748 CA GLN A 49 -10.556 -0.344 5.771 1.00 0.00 C ATOM 749 C GLN A 49 -9.046 -0.515 5.677 1.00 0.00 C ATOM 750 O GLN A 49 -8.380 -0.788 6.678 1.00 0.00 O ATOM 751 CB GLN A 49 -11.259 -1.651 5.400 1.00 0.00 C ATOM 752 CG GLN A 49 -10.844 -2.070 3.997 1.00 0.00 C ATOM 753 CD GLN A 49 -11.617 -3.305 3.562 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.791 -3.450 3.891 1.00 0.00 O ATOM 755 NE2 GLN A 49 -11.020 -4.209 2.832 1.00 0.00 N ATOM 0 H GLN A 49 -11.704 0.465 4.209 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.813 -0.086 6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.000 -2.431 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.340 -1.521 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.027 -1.254 3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.774 -2.276 3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.045 -4.083 2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.529 -5.040 2.532 1.00 0.00 H new ATOM 764 N MET A 50 -8.505 -0.347 4.472 1.00 0.00 N ATOM 765 CA MET A 50 -7.065 -0.477 4.274 1.00 0.00 C ATOM 766 C MET A 50 -6.315 0.613 5.038 1.00 0.00 C ATOM 767 O MET A 50 -5.276 0.353 5.661 1.00 0.00 O ATOM 768 CB MET A 50 -6.746 -0.373 2.781 1.00 0.00 C ATOM 769 CG MET A 50 -7.094 -1.691 2.089 1.00 0.00 C ATOM 770 SD MET A 50 -6.945 -1.483 0.296 1.00 0.00 S ATOM 771 CE MET A 50 -5.152 -1.697 0.192 1.00 0.00 C ATOM 0 H MET A 50 -9.034 -0.124 3.629 1.00 0.00 H new ATOM 0 HA MET A 50 -6.745 -1.447 4.653 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.312 0.444 2.334 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.690 -0.144 2.640 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.427 -2.482 2.432 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.108 -1.995 2.348 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.877 -1.977 -0.825 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.658 -0.762 0.457 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.839 -2.481 0.881 1.00 0.00 H new ATOM 781 N ILE A 51 -6.849 1.831 4.992 1.00 0.00 N ATOM 782 CA ILE A 51 -6.230 2.948 5.691 1.00 0.00 C ATOM 783 C ILE A 51 -6.266 2.725 7.199 1.00 0.00 C ATOM 784 O ILE A 51 -5.294 2.996 7.895 1.00 0.00 O ATOM 785 CB ILE A 51 -6.936 4.256 5.338 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.650 4.609 3.876 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.430 5.384 6.244 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.573 5.743 3.437 1.00 0.00 C ATOM 0 H ILE A 51 -7.701 2.066 4.483 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.189 3.013 5.374 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.009 4.135 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.608 4.908 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.803 3.735 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.938 6.313 5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.636 5.135 7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.356 5.507 6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.370 5.995 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.611 5.427 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.398 6.618 4.063 1.00 0.00 H new ATOM 800 N LYS A 52 -7.401 2.251 7.698 1.00 0.00 N ATOM 801 CA LYS A 52 -7.554 2.019 9.128 1.00 0.00 C ATOM 802 C LYS A 52 -6.517 1.012 9.609 1.00 0.00 C ATOM 803 O LYS A 52 -5.873 1.213 10.637 1.00 0.00 O ATOM 804 CB LYS A 52 -8.951 1.474 9.413 1.00 0.00 C ATOM 805 CG LYS A 52 -9.989 2.538 9.073 1.00 0.00 C ATOM 806 CD LYS A 52 -11.405 1.969 9.258 1.00 0.00 C ATOM 807 CE LYS A 52 -11.763 1.948 10.747 1.00 0.00 C ATOM 808 NZ LYS A 52 -13.204 1.627 10.906 1.00 0.00 N ATOM 0 H LYS A 52 -8.223 2.021 7.139 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.412 2.963 9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.130 0.575 8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.035 1.190 10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.852 3.409 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.854 2.874 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.126 2.576 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.459 0.961 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.155 1.208 11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.543 2.915 11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.447 1.613 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.776 2.349 10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.400 0.694 10.490 1.00 0.00 H new ATOM 822 N GLU A 53 -6.358 -0.073 8.856 1.00 0.00 N ATOM 823 CA GLU A 53 -5.388 -1.099 9.222 1.00 0.00 C ATOM 824 C GLU A 53 -3.985 -0.507 9.300 1.00 0.00 C ATOM 825 O GLU A 53 -3.271 -0.694 10.290 1.00 0.00 O ATOM 826 CB GLU A 53 -5.406 -2.226 8.188 1.00 0.00 C ATOM 827 CG GLU A 53 -6.738 -2.970 8.266 1.00 0.00 C ATOM 828 CD GLU A 53 -6.813 -3.771 9.559 1.00 0.00 C ATOM 829 OE1 GLU A 53 -5.766 -4.054 10.119 1.00 0.00 O ATOM 830 OE2 GLU A 53 -7.916 -4.099 9.967 1.00 0.00 O ATOM 0 H GLU A 53 -6.880 -0.263 8.001 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.660 -1.495 10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.264 -1.818 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.582 -2.915 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.564 -2.260 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.843 -3.636 7.410 1.00 0.00 H new ATOM 837 N ALA A 54 -3.595 0.217 8.254 1.00 0.00 N ATOM 838 CA ALA A 54 -2.276 0.844 8.225 1.00 0.00 C ATOM 839 C ALA A 54 -2.210 2.016 9.194 1.00 0.00 C ATOM 840 O ALA A 54 -1.213 2.202 9.880 1.00 0.00 O ATOM 841 CB ALA A 54 -1.962 1.332 6.809 1.00 0.00 C ATOM 0 H ALA A 54 -4.165 0.383 7.425 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.539 0.101 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.977 1.798 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.973 0.486 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.712 2.060 6.500 1.00 0.00 H new ATOM 847 N ASP A 55 -3.274 2.804 9.230 1.00 0.00 N ATOM 848 CA ASP A 55 -3.333 3.967 10.109 1.00 0.00 C ATOM 849 C ASP A 55 -3.665 3.544 11.530 1.00 0.00 C ATOM 850 O ASP A 55 -4.691 2.911 11.775 1.00 0.00 O ATOM 851 CB ASP A 55 -4.394 4.951 9.615 1.00 0.00 C ATOM 852 CG ASP A 55 -4.319 6.242 10.421 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.584 6.265 11.391 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.990 7.193 10.050 1.00 0.00 O ATOM 0 H ASP A 55 -4.109 2.661 8.662 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.356 4.451 10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.241 5.163 8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.386 4.509 9.711 1.00 0.00 H new ATOM 859 N LEU A 56 -2.791 3.894 12.469 1.00 0.00 N ATOM 860 CA LEU A 56 -3.005 3.550 13.875 1.00 0.00 C ATOM 861 C LEU A 56 -3.522 4.745 14.647 1.00 0.00 C ATOM 862 O LEU A 56 -3.803 4.643 15.840 1.00 0.00 O ATOM 863 CB LEU A 56 -1.687 3.059 14.500 1.00 0.00 C ATOM 864 CG LEU A 56 -1.491 1.569 14.182 1.00 0.00 C ATOM 865 CD1 LEU A 56 -2.549 0.725 14.931 1.00 0.00 C ATOM 866 CD2 LEU A 56 -1.628 1.349 12.669 1.00 0.00 C ATOM 0 H LEU A 56 -1.932 4.413 12.286 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.749 2.755 13.925 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.850 3.638 14.110 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.705 3.212 15.579 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.498 1.259 14.507 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.403 -0.330 14.700 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.444 0.879 16.005 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.547 1.030 14.617 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.489 0.292 12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.620 1.663 12.344 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.872 1.935 12.146 1.00 0.00 H new ATOM 878 N ASP A 57 -3.647 5.876 13.967 1.00 0.00 N ATOM 879 CA ASP A 57 -4.137 7.102 14.600 1.00 0.00 C ATOM 880 C ASP A 57 -5.363 7.629 13.870 1.00 0.00 C ATOM 881 O ASP A 57 -5.890 8.686 14.213 1.00 0.00 O ATOM 882 CB ASP A 57 -3.030 8.160 14.596 1.00 0.00 C ATOM 883 CG ASP A 57 -2.289 8.140 13.259 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.925 8.338 12.235 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.089 7.923 13.281 1.00 0.00 O ATOM 0 H ASP A 57 -3.417 5.975 12.978 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.420 6.877 15.628 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.459 9.147 14.768 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.331 7.970 15.411 1.00 0.00 H new ATOM 890 N GLY A 58 -5.815 6.889 12.861 1.00 0.00 N ATOM 891 CA GLY A 58 -6.984 7.300 12.093 1.00 0.00 C ATOM 892 C GLY A 58 -6.939 8.793 11.786 1.00 0.00 C ATOM 893 O GLY A 58 -7.930 9.503 11.961 1.00 0.00 O ATOM 0 H GLY A 58 -5.394 6.010 12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.029 6.735 11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.891 7.067 12.651 1.00 0.00 H new ATOM 897 N ASP A 59 -5.782 9.266 11.334 1.00 0.00 N ATOM 898 CA ASP A 59 -5.619 10.679 11.009 1.00 0.00 C ATOM 899 C ASP A 59 -6.218 10.991 9.645 1.00 0.00 C ATOM 900 O ASP A 59 -6.452 12.150 9.312 1.00 0.00 O ATOM 901 CB ASP A 59 -4.135 11.046 11.012 1.00 0.00 C ATOM 902 CG ASP A 59 -3.347 10.038 10.179 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.964 9.339 9.393 1.00 0.00 O ATOM 904 OD2 ASP A 59 -2.140 9.976 10.345 1.00 0.00 O ATOM 0 H ASP A 59 -4.949 8.697 11.185 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.142 11.267 11.763 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.999 12.049 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.757 11.060 12.034 1.00 0.00 H new ATOM 909 N GLY A 60 -6.468 9.947 8.860 1.00 0.00 N ATOM 910 CA GLY A 60 -7.043 10.120 7.524 1.00 0.00 C ATOM 911 C GLY A 60 -5.981 9.928 6.450 1.00 0.00 C ATOM 912 O GLY A 60 -6.291 9.895 5.261 1.00 0.00 O ATOM 0 H GLY A 60 -6.284 8.978 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.851 9.404 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.479 11.115 7.437 1.00 0.00 H new ATOM 916 N GLN A 61 -4.727 9.802 6.874 1.00 0.00 N ATOM 917 CA GLN A 61 -3.621 9.611 5.936 1.00 0.00 C ATOM 918 C GLN A 61 -2.660 8.552 6.458 1.00 0.00 C ATOM 919 O GLN A 61 -2.654 8.239 7.654 1.00 0.00 O ATOM 920 CB GLN A 61 -2.876 10.929 5.734 1.00 0.00 C ATOM 921 CG GLN A 61 -2.281 11.391 7.066 1.00 0.00 C ATOM 922 CD GLN A 61 -1.658 12.772 6.906 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.282 13.676 6.350 1.00 0.00 O ATOM 924 NE2 GLN A 61 -0.454 12.991 7.363 1.00 0.00 N ATOM 0 H GLN A 61 -4.450 9.828 7.855 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.028 9.277 4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.085 10.802 4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.556 11.687 5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.057 11.419 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.527 10.680 7.404 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.061 12.241 7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.029 13.912 7.260 1.00 0.00 H new ATOM 933 N VAL A 62 -1.858 7.993 5.555 1.00 0.00 N ATOM 934 CA VAL A 62 -0.897 6.953 5.931 1.00 0.00 C ATOM 935 C VAL A 62 0.528 7.436 5.692 1.00 0.00 C ATOM 936 O VAL A 62 0.849 7.957 4.621 1.00 0.00 O ATOM 937 CB VAL A 62 -1.156 5.691 5.109 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.301 4.548 5.651 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.636 5.316 5.193 1.00 0.00 C ATOM 0 H VAL A 62 -1.852 8.238 4.565 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.019 6.729 6.991 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.894 5.876 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.485 3.647 5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.753 4.817 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.560 4.363 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.817 4.416 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.906 5.131 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.241 6.133 4.800 1.00 0.00 H new ATOM 949 N ASN A 63 1.380 7.258 6.699 1.00 0.00 N ATOM 950 CA ASN A 63 2.776 7.670 6.595 1.00 0.00 C ATOM 951 C ASN A 63 3.634 6.513 6.094 1.00 0.00 C ATOM 952 O ASN A 63 3.208 5.358 6.109 1.00 0.00 O ATOM 953 CB ASN A 63 3.288 8.142 7.957 1.00 0.00 C ATOM 954 CG ASN A 63 3.213 7.006 8.965 1.00 0.00 C ATOM 955 OD1 ASN A 63 2.822 5.898 8.614 1.00 0.00 O ATOM 956 ND2 ASN A 63 3.566 7.216 10.202 1.00 0.00 N ATOM 0 H ASN A 63 1.129 6.833 7.592 1.00 0.00 H new ATOM 0 HA ASN A 63 2.843 8.493 5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.317 8.491 7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.694 8.987 8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.518 6.457 10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.891 8.139 10.490 1.00 0.00 H new ATOM 963 N TYR A 64 4.839 6.833 5.643 1.00 0.00 N ATOM 964 CA TYR A 64 5.748 5.815 5.130 1.00 0.00 C ATOM 965 C TYR A 64 5.954 4.710 6.157 1.00 0.00 C ATOM 966 O TYR A 64 6.147 3.547 5.802 1.00 0.00 O ATOM 967 CB TYR A 64 7.100 6.446 4.782 1.00 0.00 C ATOM 968 CG TYR A 64 7.961 5.435 4.061 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.646 5.060 2.749 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.072 4.868 4.698 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.440 4.122 2.077 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.864 3.932 4.029 1.00 0.00 C ATOM 973 CZ TYR A 64 9.549 3.558 2.718 1.00 0.00 C ATOM 974 OH TYR A 64 10.331 2.636 2.057 1.00 0.00 O ATOM 0 H TYR A 64 5.209 7.783 5.621 1.00 0.00 H new ATOM 0 HA TYR A 64 5.305 5.383 4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.952 7.325 4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.600 6.783 5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.790 5.495 2.255 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.317 5.155 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.197 3.834 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.720 3.497 4.524 1.00 0.00 H new ATOM 0 HH TYR A 64 11.060 2.345 2.644 1.00 0.00 H new ATOM 984 N GLU A 65 5.929 5.079 7.433 1.00 0.00 N ATOM 985 CA GLU A 65 6.130 4.107 8.503 1.00 0.00 C ATOM 986 C GLU A 65 5.014 3.064 8.513 1.00 0.00 C ATOM 987 O GLU A 65 5.273 1.859 8.553 1.00 0.00 O ATOM 988 CB GLU A 65 6.161 4.826 9.855 1.00 0.00 C ATOM 989 CG GLU A 65 7.293 5.850 9.860 1.00 0.00 C ATOM 990 CD GLU A 65 7.343 6.571 11.205 1.00 0.00 C ATOM 991 OE1 GLU A 65 6.541 6.237 12.061 1.00 0.00 O ATOM 992 OE2 GLU A 65 8.183 7.442 11.360 1.00 0.00 O ATOM 0 H GLU A 65 5.773 6.036 7.751 1.00 0.00 H new ATOM 0 HA GLU A 65 7.079 3.600 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.207 5.321 10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.305 4.105 10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.244 5.353 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.144 6.572 9.057 1.00 0.00 H new ATOM 999 N GLU A 66 3.777 3.538 8.469 1.00 0.00 N ATOM 1000 CA GLU A 66 2.624 2.641 8.471 1.00 0.00 C ATOM 1001 C GLU A 66 2.612 1.772 7.215 1.00 0.00 C ATOM 1002 O GLU A 66 2.175 0.617 7.236 1.00 0.00 O ATOM 1003 CB GLU A 66 1.328 3.452 8.555 1.00 0.00 C ATOM 1004 CG GLU A 66 1.170 4.030 9.964 1.00 0.00 C ATOM 1005 CD GLU A 66 0.110 5.132 9.963 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.414 5.432 8.903 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -0.160 5.667 11.024 1.00 0.00 O ATOM 0 H GLU A 66 3.544 4.530 8.432 1.00 0.00 H new ATOM 0 HA GLU A 66 2.698 1.990 9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.344 4.258 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.475 2.818 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.885 3.241 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.123 4.431 10.310 1.00 0.00 H new ATOM 1014 N PHE A 67 3.090 2.333 6.117 1.00 0.00 N ATOM 1015 CA PHE A 67 3.133 1.601 4.862 1.00 0.00 C ATOM 1016 C PHE A 67 4.191 0.503 4.915 1.00 0.00 C ATOM 1017 O PHE A 67 3.949 -0.629 4.505 1.00 0.00 O ATOM 1018 CB PHE A 67 3.444 2.556 3.708 1.00 0.00 C ATOM 1019 CG PHE A 67 3.198 1.857 2.393 1.00 0.00 C ATOM 1020 CD1 PHE A 67 4.220 1.115 1.792 1.00 0.00 C ATOM 1021 CD2 PHE A 67 1.947 1.953 1.772 1.00 0.00 C ATOM 1022 CE1 PHE A 67 3.993 0.468 0.570 1.00 0.00 C ATOM 1023 CE2 PHE A 67 1.721 1.306 0.551 1.00 0.00 C ATOM 1024 CZ PHE A 67 2.745 0.562 -0.049 1.00 0.00 C ATOM 0 H PHE A 67 3.451 3.286 6.068 1.00 0.00 H new ATOM 0 HA PHE A 67 2.158 1.142 4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.819 3.446 3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.480 2.888 3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.185 1.041 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.157 2.526 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.784 -0.104 0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.756 1.381 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.569 0.061 -0.990 1.00 0.00 H new ATOM 1034 N VAL A 68 5.375 0.849 5.411 1.00 0.00 N ATOM 1035 CA VAL A 68 6.465 -0.119 5.484 1.00 0.00 C ATOM 1036 C VAL A 68 6.095 -1.300 6.372 1.00 0.00 C ATOM 1037 O VAL A 68 6.173 -2.453 5.950 1.00 0.00 O ATOM 1038 CB VAL A 68 7.716 0.565 6.056 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.862 -0.449 6.138 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.127 1.752 5.151 1.00 0.00 C ATOM 0 H VAL A 68 5.603 1.778 5.764 1.00 0.00 H new ATOM 0 HA VAL A 68 6.660 -0.489 4.478 1.00 0.00 H new ATOM 0 HB VAL A 68 7.496 0.941 7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.749 0.037 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.571 -1.275 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.082 -0.831 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.015 2.233 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.344 1.386 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.312 2.474 5.105 1.00 0.00 H new ATOM 1050 N LYS A 69 5.688 -1.004 7.598 1.00 0.00 N ATOM 1051 CA LYS A 69 5.317 -2.055 8.538 1.00 0.00 C ATOM 1052 C LYS A 69 4.206 -2.923 7.959 1.00 0.00 C ATOM 1053 O LYS A 69 4.221 -4.150 8.097 1.00 0.00 O ATOM 1054 CB LYS A 69 4.866 -1.442 9.863 1.00 0.00 C ATOM 1055 CG LYS A 69 3.485 -0.808 9.701 1.00 0.00 C ATOM 1056 CD LYS A 69 3.124 -0.012 10.951 1.00 0.00 C ATOM 1057 CE LYS A 69 3.123 -0.942 12.163 1.00 0.00 C ATOM 1058 NZ LYS A 69 2.352 -0.309 13.266 1.00 0.00 N ATOM 0 H LYS A 69 5.606 -0.055 7.964 1.00 0.00 H new ATOM 0 HA LYS A 69 6.190 -2.682 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.835 -2.209 10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.585 -0.690 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.476 -0.154 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.739 -1.583 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.840 0.796 11.100 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.143 0.449 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.680 -1.902 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.145 -1.140 12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.349 -0.939 14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.793 0.597 13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.374 -0.142 12.954 1.00 0.00 H new ATOM 1072 N MET A 70 3.237 -2.279 7.319 1.00 0.00 N ATOM 1073 CA MET A 70 2.129 -3.008 6.731 1.00 0.00 C ATOM 1074 C MET A 70 2.614 -3.976 5.669 1.00 0.00 C ATOM 1075 O MET A 70 2.124 -5.096 5.580 1.00 0.00 O ATOM 1076 CB MET A 70 1.128 -2.020 6.105 1.00 0.00 C ATOM 1077 CG MET A 70 0.144 -1.512 7.159 1.00 0.00 C ATOM 1078 SD MET A 70 -0.819 -2.895 7.835 1.00 0.00 S ATOM 1079 CE MET A 70 -1.619 -3.398 6.292 1.00 0.00 C ATOM 0 H MET A 70 3.199 -1.267 7.197 1.00 0.00 H new ATOM 0 HA MET A 70 1.641 -3.578 7.521 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.665 -1.179 5.665 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.584 -2.508 5.297 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.686 -1.010 7.961 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.526 -0.775 6.716 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.609 -3.798 6.509 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.713 -2.535 5.633 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.017 -4.164 5.803 1.00 0.00 H new ATOM 1089 N MET A 71 3.579 -3.546 4.883 1.00 0.00 N ATOM 1090 CA MET A 71 4.127 -4.394 3.835 1.00 0.00 C ATOM 1091 C MET A 71 4.919 -5.550 4.429 1.00 0.00 C ATOM 1092 O MET A 71 4.989 -6.632 3.841 1.00 0.00 O ATOM 1093 CB MET A 71 5.021 -3.569 2.909 1.00 0.00 C ATOM 1094 CG MET A 71 4.158 -2.619 2.071 1.00 0.00 C ATOM 1095 SD MET A 71 3.098 -3.562 0.947 1.00 0.00 S ATOM 1096 CE MET A 71 4.307 -3.785 -0.378 1.00 0.00 C ATOM 0 H MET A 71 4.001 -2.620 4.946 1.00 0.00 H new ATOM 0 HA MET A 71 3.298 -4.807 3.261 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.742 -2.999 3.496 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.592 -4.229 2.256 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.545 -2.000 2.726 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.796 -1.945 1.500 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.879 -4.413 -1.159 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.571 -2.814 -0.797 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.201 -4.263 0.022 1.00 0.00 H new ATOM 1106 N MET A 72 5.518 -5.315 5.589 1.00 0.00 N ATOM 1107 CA MET A 72 6.301 -6.353 6.251 1.00 0.00 C ATOM 1108 C MET A 72 5.389 -7.414 6.861 1.00 0.00 C ATOM 1109 O MET A 72 5.572 -8.610 6.631 1.00 0.00 O ATOM 1110 CB MET A 72 7.160 -5.727 7.352 1.00 0.00 C ATOM 1111 CG MET A 72 8.217 -4.819 6.722 1.00 0.00 C ATOM 1112 SD MET A 72 9.426 -5.826 5.830 1.00 0.00 S ATOM 1113 CE MET A 72 10.177 -4.486 4.875 1.00 0.00 C ATOM 0 H MET A 72 5.479 -4.426 6.087 1.00 0.00 H new ATOM 0 HA MET A 72 6.941 -6.828 5.508 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.533 -5.153 8.035 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.641 -6.508 7.941 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.744 -4.112 6.041 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.715 -4.233 7.494 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.966 -4.889 4.241 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.418 -4.013 4.253 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.600 -3.747 5.555 1.00 0.00 H new ATOM 1123 N THR A 73 4.409 -6.967 7.641 1.00 0.00 N ATOM 1124 CA THR A 73 3.474 -7.888 8.284 1.00 0.00 C ATOM 1125 C THR A 73 2.619 -8.597 7.241 1.00 0.00 C ATOM 1126 O THR A 73 2.148 -9.712 7.462 1.00 0.00 O ATOM 1127 CB THR A 73 2.576 -7.126 9.259 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.379 -6.291 10.084 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.811 -8.121 10.134 1.00 0.00 C ATOM 0 H THR A 73 4.241 -5.981 7.843 1.00 0.00 H new ATOM 0 HA THR A 73 4.047 -8.635 8.833 1.00 0.00 H new ATOM 0 HB THR A 73 1.867 -6.515 8.700 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.593 -5.464 9.603 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.171 -7.577 10.829 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.198 -8.764 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.519 -8.732 10.695 1.00 0.00 H new ATOM 1137 N VAL A 74 2.423 -7.950 6.104 1.00 0.00 N ATOM 1138 CA VAL A 74 1.624 -8.533 5.037 1.00 0.00 C ATOM 1139 C VAL A 74 2.221 -9.860 4.589 1.00 0.00 C ATOM 1140 O VAL A 74 1.495 -10.829 4.364 1.00 0.00 O ATOM 1141 CB VAL A 74 1.547 -7.555 3.849 1.00 0.00 C ATOM 1142 CG1 VAL A 74 1.205 -8.322 2.559 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.451 -6.492 4.117 1.00 0.00 C ATOM 0 H VAL A 74 2.803 -7.027 5.896 1.00 0.00 H new ATOM 0 HA VAL A 74 0.617 -8.718 5.412 1.00 0.00 H new ATOM 0 HB VAL A 74 2.513 -7.064 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.152 -7.624 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.977 -9.066 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.243 -8.821 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.400 -5.802 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.513 -6.986 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.694 -5.939 5.024 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.673 -7.237 6.005 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.110 -7.210 5.761 1.00 0.00 C ATOM 1207 C GLY A 80 -6.450 -7.886 4.440 1.00 0.00 C ATOM 1208 O GLY A 80 -5.675 -8.695 3.929 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.631 -7.713 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.461 -6.178 5.747 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.613 -7.552 3.891 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.046 -8.136 2.621 1.00 0.00 C ATOM 1214 C ASN A 81 -7.632 -7.245 1.452 1.00 0.00 C ATOM 1215 O ASN A 81 -7.330 -7.734 0.356 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.567 -8.307 2.623 1.00 0.00 C ATOM 1217 CG ASN A 81 -9.977 -9.311 3.694 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -10.849 -9.026 4.513 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -9.397 -10.481 3.735 1.00 0.00 N ATOM 0 H ASN A 81 -8.269 -6.886 4.299 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.569 -9.109 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.049 -7.347 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.904 -8.649 1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.667 -11.160 4.447 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.674 -10.716 3.055 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.606 -5.934 1.691 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.222 -4.994 0.650 1.00 0.00 C ATOM 1228 C GLY A 82 -5.721 -5.052 0.381 1.00 0.00 C ATOM 1229 O GLY A 82 -5.287 -5.190 -0.768 1.00 0.00 O ATOM 0 H GLY A 82 -7.844 -5.507 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.767 -5.219 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.502 -3.983 0.947 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.931 -4.948 1.448 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.478 -4.991 1.316 1.00 0.00 C ATOM 1235 C TRP A 83 -3.042 -6.330 0.734 1.00 0.00 C ATOM 1236 O TRP A 83 -2.210 -6.386 -0.170 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.825 -4.780 2.682 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.095 -3.389 3.158 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.863 -3.069 4.225 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.622 -2.129 2.601 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.885 -1.694 4.363 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.138 -1.069 3.384 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.805 -1.807 1.504 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.852 0.264 3.090 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.516 -0.467 1.203 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -2.037 0.568 1.994 1.00 0.00 C ATOM 0 H TRP A 83 -5.269 -4.835 2.404 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.162 -4.195 0.642 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.216 -5.503 3.399 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.750 -4.949 2.613 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.375 -3.773 4.864 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.391 -1.201 5.098 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.397 -2.595 0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.256 1.055 3.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.888 -0.231 0.357 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.810 1.597 1.758 1.00 0.00 H new ATOM 1257 N SER A 84 -3.616 -7.409 1.255 1.00 0.00 N ATOM 1258 CA SER A 84 -3.286 -8.746 0.778 1.00 0.00 C ATOM 1259 C SER A 84 -3.629 -8.878 -0.699 1.00 0.00 C ATOM 1260 O SER A 84 -2.914 -9.539 -1.449 1.00 0.00 O ATOM 1261 CB SER A 84 -4.058 -9.796 1.578 1.00 0.00 C ATOM 1262 OG SER A 84 -4.029 -11.033 0.879 1.00 0.00 O ATOM 0 H SER A 84 -4.308 -7.384 2.004 1.00 0.00 H new ATOM 0 HA SER A 84 -2.216 -8.907 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.616 -9.914 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.088 -9.472 1.726 1.00 0.00 H new ATOM 0 HG SER A 84 -4.522 -11.709 1.390 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.726 -8.245 -1.110 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.148 -8.298 -2.508 1.00 0.00 C ATOM 1270 C ARG A 85 -4.131 -7.600 -3.402 1.00 0.00 C ATOM 1271 O ARG A 85 -3.807 -8.088 -4.487 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.518 -7.635 -2.660 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.011 -7.797 -4.098 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.375 -7.126 -4.251 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.362 -7.798 -3.415 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.957 -8.915 -3.817 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.658 -9.433 -4.977 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.840 -9.497 -3.051 1.00 0.00 N ATOM 0 H ARG A 85 -5.333 -7.695 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.216 -9.342 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.230 -8.086 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.451 -6.577 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.296 -7.352 -4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.084 -8.855 -4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.305 -6.075 -3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.689 -7.157 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.600 -7.403 -2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.967 -8.980 -5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.115 -10.291 -5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.073 -9.094 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.297 -10.355 -3.360 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.635 -6.456 -2.948 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.655 -5.709 -3.719 1.00 0.00 C ATOM 1294 C LEU A 86 -1.329 -6.464 -3.767 1.00 0.00 C ATOM 1295 O LEU A 86 -0.644 -6.479 -4.792 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.445 -4.323 -3.101 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.448 -3.516 -3.948 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.091 -3.133 -5.289 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -1.048 -2.253 -3.190 1.00 0.00 C ATOM 0 H LEU A 86 -3.893 -6.030 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.029 -5.592 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.396 -3.794 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.072 -4.423 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.563 -4.123 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.379 -2.561 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.372 -4.037 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.979 -2.528 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.341 -1.678 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.934 -1.649 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.583 -2.529 -2.244 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.956 -7.056 -2.643 1.00 0.00 N ATOM 1312 CA ARG A 87 0.300 -7.795 -2.564 1.00 0.00 C ATOM 1313 C ARG A 87 0.140 -9.194 -3.136 1.00 0.00 C ATOM 1314 O ARG A 87 1.131 -9.881 -3.387 1.00 0.00 O ATOM 1315 CB ARG A 87 0.773 -7.857 -1.087 1.00 0.00 C ATOM 1316 CG ARG A 87 2.096 -7.099 -0.924 1.00 0.00 C ATOM 1317 CD ARG A 87 3.232 -7.934 -1.538 1.00 0.00 C ATOM 1318 NE ARG A 87 4.286 -7.053 -2.028 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.269 -6.647 -1.236 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.302 -7.035 0.010 1.00 0.00 N ATOM 1321 NH2 ARG A 87 6.202 -5.863 -1.704 1.00 0.00 N ATOM 0 H ARG A 87 -1.498 -7.041 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 87 1.053 -7.278 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.014 -7.423 -0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.900 -8.895 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.036 -6.127 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.295 -6.912 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.636 -8.619 -0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.846 -8.544 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 87 4.267 -6.743 -3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.573 -7.649 0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.057 -6.724 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.175 -5.563 -2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.958 -5.550 -1.095 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.101 -9.608 -3.329 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.369 -10.928 -3.879 1.00 0.00 C ATOM 1337 C ARG A 88 -0.638 -11.092 -5.204 1.00 0.00 C ATOM 1338 O ARG A 88 0.324 -11.858 -5.306 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.875 -11.105 -4.092 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.150 -12.481 -4.695 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.658 -12.708 -4.776 1.00 0.00 C ATOM 1342 NE ARG A 88 -4.937 -13.989 -5.412 1.00 0.00 N ATOM 1343 CZ ARG A 88 -6.145 -14.271 -5.887 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -7.106 -13.392 -5.789 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.372 -15.424 -6.452 1.00 0.00 N ATOM 0 H ARG A 88 -1.932 -9.056 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.016 -11.686 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.401 -11.001 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.253 -10.325 -4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.707 -12.550 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.687 -13.257 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.091 -12.687 -3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.125 -11.902 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.192 -14.681 -5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.929 -12.490 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.034 -13.608 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.622 -16.110 -6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.300 -15.639 -6.816 1.00 0.00 H new