USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -5.86! C(o=-8.3!,f=-20!) USER MOD Set 1.2: A 62 THR OG1 : rot 97:sc= -2.4! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.174 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -40:sc= 0.197 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 42 ASN : amide:sc= -2.68 K(o=-2.7,f=-6.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 51 MET CE :methyl 162:sc= -0.235 (180deg=-1.07) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 72:sc= 0.303 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -14.855 -6.832 2.843 1.00 0.00 N ATOM 122 CA ILE A 9 -14.459 -5.507 3.300 1.00 0.00 C ATOM 123 C ILE A 9 -13.704 -5.606 4.620 1.00 0.00 C ATOM 124 O ILE A 9 -12.680 -4.951 4.803 1.00 0.00 O ATOM 125 CB ILE A 9 -15.685 -4.599 3.460 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.260 -4.290 2.071 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.278 -3.291 4.155 1.00 0.00 C ATOM 128 CD1 ILE A 9 -17.567 -3.499 2.205 1.00 0.00 C ATOM 0 HA ILE A 9 -13.801 -5.069 2.549 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.437 -5.102 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.538 -3.718 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.442 -5.218 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.153 -2.650 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.865 -3.515 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.527 -2.778 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.966 -3.285 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.292 -4.086 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.373 -2.562 2.728 1.00 0.00 H new ATOM 140 N VAL A 10 -14.208 -6.424 5.537 1.00 0.00 N ATOM 141 CA VAL A 10 -13.551 -6.577 6.828 1.00 0.00 C ATOM 142 C VAL A 10 -12.135 -7.109 6.635 1.00 0.00 C ATOM 143 O VAL A 10 -11.183 -6.575 7.202 1.00 0.00 O ATOM 144 CB VAL A 10 -14.361 -7.528 7.722 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.531 -7.929 8.949 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.648 -6.825 8.184 1.00 0.00 C ATOM 0 H VAL A 10 -15.053 -6.982 5.414 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.495 -5.603 7.314 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.615 -8.423 7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.113 -8.603 9.577 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.620 -8.432 8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.270 -7.037 9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.223 -7.499 8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.391 -5.928 8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.244 -6.549 7.314 1.00 0.00 H new ATOM 156 N ASP A 11 -11.996 -8.152 5.825 1.00 0.00 N ATOM 157 CA ASP A 11 -10.677 -8.715 5.575 1.00 0.00 C ATOM 158 C ASP A 11 -9.815 -7.708 4.819 1.00 0.00 C ATOM 159 O ASP A 11 -8.644 -7.507 5.144 1.00 0.00 O ATOM 160 CB ASP A 11 -10.798 -10.010 4.767 1.00 0.00 C ATOM 161 CG ASP A 11 -9.427 -10.658 4.616 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.453 -10.039 5.011 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.369 -11.767 4.110 1.00 0.00 O ATOM 0 H ASP A 11 -12.764 -8.616 5.340 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.205 -8.941 6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.482 -10.697 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.220 -9.798 3.785 1.00 0.00 H new ATOM 168 N PHE A 12 -10.401 -7.083 3.801 1.00 0.00 N ATOM 169 CA PHE A 12 -9.668 -6.105 3.002 1.00 0.00 C ATOM 170 C PHE A 12 -9.231 -4.936 3.881 1.00 0.00 C ATOM 171 O PHE A 12 -8.065 -4.541 3.863 1.00 0.00 O ATOM 172 CB PHE A 12 -10.540 -5.597 1.840 1.00 0.00 C ATOM 173 CG PHE A 12 -10.462 -6.551 0.662 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.370 -7.937 0.865 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.484 -6.042 -0.643 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.299 -8.802 -0.230 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.414 -6.908 -1.737 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.322 -8.290 -1.532 1.00 0.00 C ATOM 0 H PHE A 12 -11.368 -7.233 3.513 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.783 -6.587 2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.575 -5.500 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.208 -4.605 1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.354 -8.335 1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.555 -4.976 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.226 -9.868 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.431 -6.511 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.269 -8.960 -2.378 1.00 0.00 H new ATOM 188 N LYS A 13 -10.164 -4.383 4.650 1.00 0.00 N ATOM 189 CA LYS A 13 -9.850 -3.268 5.517 1.00 0.00 C ATOM 190 C LYS A 13 -8.775 -3.664 6.520 1.00 0.00 C ATOM 191 O LYS A 13 -7.949 -2.839 6.912 1.00 0.00 O ATOM 192 CB LYS A 13 -11.121 -2.819 6.242 1.00 0.00 C ATOM 193 CG LYS A 13 -10.962 -1.383 6.750 1.00 0.00 C ATOM 194 CD LYS A 13 -12.301 -0.876 7.310 1.00 0.00 C ATOM 195 CE LYS A 13 -13.198 -0.362 6.174 1.00 0.00 C ATOM 196 NZ LYS A 13 -14.421 0.266 6.751 1.00 0.00 N ATOM 0 H LYS A 13 -11.136 -4.691 4.686 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.467 -2.441 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.974 -2.881 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.327 -3.487 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.196 -1.344 7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.628 -0.736 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.806 -1.680 7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.122 -0.077 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.655 0.363 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.475 -1.185 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.028 0.614 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.942 -0.439 7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.147 1.061 7.363 1.00 0.00 H new ATOM 210 N GLU A 14 -8.771 -4.931 6.926 1.00 0.00 N ATOM 211 CA GLU A 14 -7.771 -5.403 7.867 1.00 0.00 C ATOM 212 C GLU A 14 -6.396 -5.361 7.227 1.00 0.00 C ATOM 213 O GLU A 14 -5.410 -4.995 7.862 1.00 0.00 O ATOM 214 CB GLU A 14 -8.077 -6.835 8.281 1.00 0.00 C ATOM 215 CG GLU A 14 -7.214 -7.214 9.488 1.00 0.00 C ATOM 216 CD GLU A 14 -7.689 -6.461 10.729 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.715 -5.807 10.645 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.018 -6.549 11.744 1.00 0.00 O ATOM 0 H GLU A 14 -9.441 -5.637 6.621 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.789 -4.756 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.133 -6.935 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.880 -7.514 7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.269 -8.289 9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.169 -6.977 9.287 1.00 0.00 H new ATOM 225 N ALA A 15 -6.347 -5.730 5.955 1.00 0.00 N ATOM 226 CA ALA A 15 -5.084 -5.716 5.231 1.00 0.00 C ATOM 227 C ALA A 15 -4.549 -4.290 5.158 1.00 0.00 C ATOM 228 O ALA A 15 -3.373 -4.051 5.432 1.00 0.00 O ATOM 229 CB ALA A 15 -5.257 -6.282 3.816 1.00 0.00 C ATOM 0 H ALA A 15 -7.152 -6.038 5.410 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.372 -6.345 5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.299 -6.261 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.614 -7.310 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.981 -5.678 3.269 1.00 0.00 H new ATOM 235 N PHE A 16 -5.414 -3.340 4.797 1.00 0.00 N ATOM 236 CA PHE A 16 -5.001 -1.945 4.707 1.00 0.00 C ATOM 237 C PHE A 16 -4.580 -1.414 6.071 1.00 0.00 C ATOM 238 O PHE A 16 -3.527 -0.795 6.209 1.00 0.00 O ATOM 239 CB PHE A 16 -6.162 -1.102 4.179 1.00 0.00 C ATOM 240 CG PHE A 16 -5.748 0.347 4.122 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.945 1.176 5.233 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.175 0.863 2.957 1.00 0.00 C ATOM 243 CE1 PHE A 16 -5.568 2.521 5.176 1.00 0.00 C ATOM 244 CE2 PHE A 16 -4.799 2.208 2.900 1.00 0.00 C ATOM 245 CZ PHE A 16 -4.997 3.039 4.007 1.00 0.00 C ATOM 0 H PHE A 16 -6.392 -3.511 4.565 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.151 -1.882 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.454 -1.447 3.187 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.032 -1.217 4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.388 0.777 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.023 0.223 2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.717 3.160 6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.355 2.606 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.710 4.079 3.960 1.00 0.00 H new ATOM 255 N GLY A 17 -5.420 -1.646 7.076 1.00 0.00 N ATOM 256 CA GLY A 17 -5.123 -1.167 8.417 1.00 0.00 C ATOM 257 C GLY A 17 -3.760 -1.665 8.862 1.00 0.00 C ATOM 258 O GLY A 17 -2.954 -0.902 9.394 1.00 0.00 O ATOM 0 H GLY A 17 -6.299 -2.156 6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.144 -0.077 8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.889 -1.512 9.112 1.00 0.00 H new ATOM 262 N LEU A 18 -3.498 -2.946 8.640 1.00 0.00 N ATOM 263 CA LEU A 18 -2.222 -3.529 9.018 1.00 0.00 C ATOM 264 C LEU A 18 -1.096 -2.857 8.235 1.00 0.00 C ATOM 265 O LEU A 18 -0.016 -2.605 8.762 1.00 0.00 O ATOM 266 CB LEU A 18 -2.251 -5.042 8.719 1.00 0.00 C ATOM 267 CG LEU A 18 -1.299 -5.805 9.658 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.395 -7.308 9.377 1.00 0.00 C ATOM 269 CD2 LEU A 18 0.146 -5.326 9.450 1.00 0.00 C ATOM 0 H LEU A 18 -4.150 -3.597 8.202 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.046 -3.375 10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.266 -5.421 8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.964 -5.218 7.682 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.588 -5.612 10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.720 -7.846 10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.418 -7.645 9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.115 -7.503 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.810 -5.873 10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.444 -5.506 8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.210 -4.260 9.666 1.00 0.00 H new ATOM 281 N PHE A 19 -1.362 -2.583 6.964 1.00 0.00 N ATOM 282 CA PHE A 19 -0.367 -1.961 6.102 1.00 0.00 C ATOM 283 C PHE A 19 -0.039 -0.574 6.598 1.00 0.00 C ATOM 284 O PHE A 19 1.126 -0.171 6.640 1.00 0.00 O ATOM 285 CB PHE A 19 -0.893 -1.897 4.664 1.00 0.00 C ATOM 286 CG PHE A 19 -0.917 -3.285 4.025 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.843 -4.474 4.798 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.016 -3.383 2.630 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.867 -5.720 4.171 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.039 -4.641 2.012 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.963 -5.807 2.782 1.00 0.00 C ATOM 0 H PHE A 19 -2.254 -2.781 6.510 1.00 0.00 H new ATOM 0 HA PHE A 19 0.543 -2.561 6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.897 -1.474 4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.264 -1.232 4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.768 -4.414 5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.075 -2.487 2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.811 -6.621 4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.116 -4.711 0.937 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.979 -6.774 2.301 1.00 0.00 H new ATOM 301 N ASP A 20 -1.070 0.152 6.977 1.00 0.00 N ATOM 302 CA ASP A 20 -0.896 1.500 7.477 1.00 0.00 C ATOM 303 C ASP A 20 -0.488 1.468 8.949 1.00 0.00 C ATOM 304 O ASP A 20 -1.140 2.063 9.802 1.00 0.00 O ATOM 305 CB ASP A 20 -2.206 2.255 7.296 1.00 0.00 C ATOM 306 CG ASP A 20 -2.100 3.657 7.878 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.060 3.973 8.426 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.060 4.403 7.758 1.00 0.00 O ATOM 0 H ASP A 20 -2.038 -0.169 6.948 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.105 2.006 6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.455 2.313 6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.015 1.713 7.785 1.00 0.00 H new ATOM 313 N LYS A 21 0.581 0.730 9.236 1.00 0.00 N ATOM 314 CA LYS A 21 1.072 0.577 10.606 1.00 0.00 C ATOM 315 C LYS A 21 0.941 1.880 11.401 1.00 0.00 C ATOM 316 O LYS A 21 0.725 1.849 12.613 1.00 0.00 O ATOM 317 CB LYS A 21 2.546 0.150 10.581 1.00 0.00 C ATOM 318 CG LYS A 21 2.645 -1.371 10.419 1.00 0.00 C ATOM 319 CD LYS A 21 4.081 -1.764 10.075 1.00 0.00 C ATOM 320 CE LYS A 21 4.993 -1.578 11.292 1.00 0.00 C ATOM 321 NZ LYS A 21 6.337 -2.156 10.999 1.00 0.00 N ATOM 0 H LYS A 21 1.127 0.226 8.537 1.00 0.00 H new ATOM 0 HA LYS A 21 0.465 -0.185 11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.064 0.646 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.039 0.459 11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.334 -1.865 11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.968 -1.707 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.111 -2.803 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.442 -1.156 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.085 -0.519 11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.558 -2.066 12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.957 -2.030 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.241 -3.170 10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.752 -1.671 10.178 1.00 0.00 H new ATOM 335 N ASP A 22 1.078 3.020 10.725 1.00 0.00 N ATOM 336 CA ASP A 22 0.982 4.315 11.403 1.00 0.00 C ATOM 337 C ASP A 22 -0.473 4.737 11.613 1.00 0.00 C ATOM 338 O ASP A 22 -0.777 5.499 12.531 1.00 0.00 O ATOM 339 CB ASP A 22 1.712 5.373 10.574 1.00 0.00 C ATOM 340 CG ASP A 22 1.324 5.240 9.107 1.00 0.00 C ATOM 341 OD1 ASP A 22 1.404 4.136 8.593 1.00 0.00 O ATOM 342 OD2 ASP A 22 0.950 6.242 8.519 1.00 0.00 O ATOM 0 H ASP A 22 1.254 3.076 9.722 1.00 0.00 H new ATOM 0 HA ASP A 22 1.445 4.220 12.385 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.460 6.369 10.937 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.790 5.256 10.686 1.00 0.00 H new ATOM 347 N GLY A 23 -1.367 4.238 10.771 1.00 0.00 N ATOM 348 CA GLY A 23 -2.787 4.565 10.883 1.00 0.00 C ATOM 349 C GLY A 23 -3.095 5.958 10.333 1.00 0.00 C ATOM 350 O GLY A 23 -4.159 6.513 10.603 1.00 0.00 O ATOM 0 H GLY A 23 -1.138 3.606 10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.374 3.823 10.342 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.091 4.512 11.928 1.00 0.00 H new ATOM 354 N ASP A 24 -2.155 6.534 9.586 1.00 0.00 N ATOM 355 CA ASP A 24 -2.352 7.872 9.042 1.00 0.00 C ATOM 356 C ASP A 24 -3.538 7.896 8.091 1.00 0.00 C ATOM 357 O ASP A 24 -3.919 8.951 7.585 1.00 0.00 O ATOM 358 CB ASP A 24 -1.092 8.337 8.309 1.00 0.00 C ATOM 359 CG ASP A 24 -0.855 7.472 7.076 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.592 6.517 6.896 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.060 7.779 6.329 1.00 0.00 O ATOM 0 H ASP A 24 -1.263 6.101 9.347 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.554 8.550 9.871 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.197 9.381 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.231 8.278 8.975 1.00 0.00 H new ATOM 366 N GLY A 25 -4.124 6.727 7.853 1.00 0.00 N ATOM 367 CA GLY A 25 -5.273 6.626 6.964 1.00 0.00 C ATOM 368 C GLY A 25 -4.829 6.506 5.514 1.00 0.00 C ATOM 369 O GLY A 25 -5.612 6.118 4.648 1.00 0.00 O ATOM 0 H GLY A 25 -3.824 5.842 8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.874 5.759 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.908 7.504 7.083 1.00 0.00 H new ATOM 373 N CYS A 26 -3.568 6.858 5.248 1.00 0.00 N ATOM 374 CA CYS A 26 -3.033 6.800 3.882 1.00 0.00 C ATOM 375 C CYS A 26 -1.697 6.063 3.851 1.00 0.00 C ATOM 376 O CYS A 26 -0.793 6.372 4.626 1.00 0.00 O ATOM 377 CB CYS A 26 -2.845 8.227 3.345 1.00 0.00 C ATOM 378 SG CYS A 26 -4.413 8.828 2.670 1.00 0.00 S ATOM 0 H CYS A 26 -2.904 7.183 5.951 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.741 6.257 3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.504 8.886 4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.076 8.238 2.573 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.256 10.036 2.217 1.00 0.00 H new ATOM 384 N ILE A 27 -1.568 5.101 2.935 1.00 0.00 N ATOM 385 CA ILE A 27 -0.324 4.342 2.797 1.00 0.00 C ATOM 386 C ILE A 27 0.554 4.992 1.734 1.00 0.00 C ATOM 387 O ILE A 27 0.231 4.950 0.548 1.00 0.00 O ATOM 388 CB ILE A 27 -0.621 2.901 2.359 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.466 2.177 3.413 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.697 2.146 2.179 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.020 0.886 2.807 1.00 0.00 C ATOM 0 H ILE A 27 -2.304 4.831 2.282 1.00 0.00 H new ATOM 0 HA ILE A 27 0.183 4.335 3.762 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.174 2.931 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.860 1.951 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.283 2.818 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.490 1.122 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.299 2.642 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.242 2.135 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.623 0.364 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.638 1.126 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.194 0.246 2.496 1.00 0.00 H new ATOM 403 N THR A 28 1.670 5.579 2.152 1.00 0.00 N ATOM 404 CA THR A 28 2.574 6.214 1.200 1.00 0.00 C ATOM 405 C THR A 28 3.395 5.149 0.488 1.00 0.00 C ATOM 406 O THR A 28 3.446 4.001 0.929 1.00 0.00 O ATOM 407 CB THR A 28 3.510 7.191 1.924 1.00 0.00 C ATOM 408 OG1 THR A 28 4.046 6.562 3.078 1.00 0.00 O ATOM 409 CG2 THR A 28 2.740 8.452 2.339 1.00 0.00 C ATOM 0 H THR A 28 1.967 5.629 3.126 1.00 0.00 H new ATOM 0 HA THR A 28 1.985 6.769 0.470 1.00 0.00 H new ATOM 0 HB THR A 28 4.318 7.475 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.645 7.184 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.414 9.138 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.333 8.938 1.452 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.925 8.177 3.008 1.00 0.00 H new ATOM 417 N VAL A 29 4.030 5.519 -0.617 1.00 0.00 N ATOM 418 CA VAL A 29 4.830 4.552 -1.362 1.00 0.00 C ATOM 419 C VAL A 29 5.914 3.950 -0.468 1.00 0.00 C ATOM 420 O VAL A 29 6.234 2.769 -0.584 1.00 0.00 O ATOM 421 CB VAL A 29 5.476 5.219 -2.580 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.389 6.357 -2.121 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.304 4.182 -3.344 1.00 0.00 C ATOM 0 H VAL A 29 4.010 6.459 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 29 4.170 3.754 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 29 4.697 5.620 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.847 6.829 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.803 7.095 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.169 5.959 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.766 4.653 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.081 3.784 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.656 3.370 -3.674 1.00 0.00 H new ATOM 433 N GLU A 30 6.465 4.761 0.428 1.00 0.00 N ATOM 434 CA GLU A 30 7.497 4.281 1.332 1.00 0.00 C ATOM 435 C GLU A 30 6.918 3.235 2.284 1.00 0.00 C ATOM 436 O GLU A 30 7.539 2.201 2.543 1.00 0.00 O ATOM 437 CB GLU A 30 8.062 5.451 2.133 1.00 0.00 C ATOM 438 CG GLU A 30 8.847 6.380 1.203 1.00 0.00 C ATOM 439 CD GLU A 30 9.366 7.583 1.983 1.00 0.00 C ATOM 440 OE1 GLU A 30 9.122 7.640 3.179 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.001 8.430 1.376 1.00 0.00 O ATOM 0 H GLU A 30 6.216 5.743 0.546 1.00 0.00 H new ATOM 0 HA GLU A 30 8.295 3.823 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.252 6.000 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.711 5.081 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.681 5.840 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.208 6.714 0.386 1.00 0.00 H new ATOM 448 N GLU A 31 5.717 3.503 2.787 1.00 0.00 N ATOM 449 CA GLU A 31 5.053 2.579 3.692 1.00 0.00 C ATOM 450 C GLU A 31 4.671 1.301 2.957 1.00 0.00 C ATOM 451 O GLU A 31 4.780 0.201 3.501 1.00 0.00 O ATOM 452 CB GLU A 31 3.803 3.237 4.267 1.00 0.00 C ATOM 453 CG GLU A 31 4.204 4.365 5.217 1.00 0.00 C ATOM 454 CD GLU A 31 2.963 5.134 5.647 1.00 0.00 C ATOM 455 OE1 GLU A 31 2.187 5.493 4.779 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.802 5.354 6.836 1.00 0.00 O ATOM 0 H GLU A 31 5.187 4.350 2.582 1.00 0.00 H new ATOM 0 HA GLU A 31 5.736 2.325 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.184 3.631 3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.203 2.498 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.712 3.956 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.908 5.036 4.725 1.00 0.00 H new ATOM 463 N LEU A 32 4.245 1.450 1.709 1.00 0.00 N ATOM 464 CA LEU A 32 3.877 0.289 0.911 1.00 0.00 C ATOM 465 C LEU A 32 5.119 -0.574 0.715 1.00 0.00 C ATOM 466 O LEU A 32 5.070 -1.795 0.858 1.00 0.00 O ATOM 467 CB LEU A 32 3.319 0.725 -0.451 1.00 0.00 C ATOM 468 CG LEU A 32 2.766 -0.496 -1.213 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.334 -0.807 -0.766 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.772 -0.210 -2.712 1.00 0.00 C ATOM 0 H LEU A 32 4.147 2.347 1.234 1.00 0.00 H new ATOM 0 HA LEU A 32 3.102 -0.279 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.530 1.463 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.103 1.205 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 32 3.400 -1.356 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.961 -1.672 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.325 -1.024 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.695 0.053 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.381 -1.074 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.148 0.659 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.792 -0.010 -3.040 1.00 0.00 H new ATOM 482 N ALA A 33 6.235 0.075 0.388 1.00 0.00 N ATOM 483 CA ALA A 33 7.485 -0.644 0.177 1.00 0.00 C ATOM 484 C ALA A 33 7.815 -1.471 1.411 1.00 0.00 C ATOM 485 O ALA A 33 8.243 -2.619 1.304 1.00 0.00 O ATOM 486 CB ALA A 33 8.623 0.342 -0.111 1.00 0.00 C ATOM 0 H ALA A 33 6.298 1.086 0.265 1.00 0.00 H new ATOM 0 HA ALA A 33 7.372 -1.307 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.551 -0.209 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.388 0.917 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.741 1.019 0.735 1.00 0.00 H new ATOM 492 N THR A 34 7.584 -0.893 2.583 1.00 0.00 N ATOM 493 CA THR A 34 7.835 -1.613 3.823 1.00 0.00 C ATOM 494 C THR A 34 6.929 -2.844 3.899 1.00 0.00 C ATOM 495 O THR A 34 7.376 -3.924 4.284 1.00 0.00 O ATOM 496 CB THR A 34 7.624 -0.689 5.037 1.00 0.00 C ATOM 497 OG1 THR A 34 8.735 0.194 5.144 1.00 0.00 O ATOM 498 CG2 THR A 34 7.504 -1.509 6.327 1.00 0.00 C ATOM 0 H THR A 34 7.229 0.056 2.700 1.00 0.00 H new ATOM 0 HA THR A 34 8.872 -1.947 3.839 1.00 0.00 H new ATOM 0 HB THR A 34 6.702 -0.124 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.608 0.787 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.355 -0.837 7.173 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.655 -2.188 6.249 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.417 -2.086 6.478 1.00 0.00 H new ATOM 506 N VAL A 35 5.652 -2.683 3.535 1.00 0.00 N ATOM 507 CA VAL A 35 4.729 -3.816 3.583 1.00 0.00 C ATOM 508 C VAL A 35 5.133 -4.882 2.567 1.00 0.00 C ATOM 509 O VAL A 35 5.224 -6.064 2.900 1.00 0.00 O ATOM 510 CB VAL A 35 3.289 -3.354 3.324 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.381 -4.580 3.166 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.812 -2.530 4.517 1.00 0.00 C ATOM 0 H VAL A 35 5.245 -1.805 3.213 1.00 0.00 H new ATOM 0 HA VAL A 35 4.778 -4.251 4.581 1.00 0.00 H new ATOM 0 HB VAL A 35 3.253 -2.753 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.357 -4.253 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.726 -5.183 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.413 -5.176 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.789 -2.196 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.846 -3.142 5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.460 -1.663 4.642 1.00 0.00 H new ATOM 522 N ILE A 36 5.395 -4.458 1.336 1.00 0.00 N ATOM 523 CA ILE A 36 5.805 -5.388 0.289 1.00 0.00 C ATOM 524 C ILE A 36 7.168 -5.986 0.621 1.00 0.00 C ATOM 525 O ILE A 36 7.399 -7.176 0.407 1.00 0.00 O ATOM 526 CB ILE A 36 5.860 -4.678 -1.067 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.498 -4.045 -1.364 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.203 -5.686 -2.166 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.611 -3.123 -2.582 1.00 0.00 C ATOM 0 H ILE A 36 5.332 -3.484 1.039 1.00 0.00 H new ATOM 0 HA ILE A 36 5.070 -6.191 0.232 1.00 0.00 H new ATOM 0 HB ILE A 36 6.626 -3.903 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.758 -4.823 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.153 -3.479 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.241 -5.176 -3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.173 -6.137 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.440 -6.464 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.640 -2.674 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.337 -2.337 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.937 -3.701 -3.447 1.00 0.00 H new ATOM 541 N ARG A 37 8.062 -5.158 1.150 1.00 0.00 N ATOM 542 CA ARG A 37 9.396 -5.619 1.517 1.00 0.00 C ATOM 543 C ARG A 37 9.315 -6.734 2.550 1.00 0.00 C ATOM 544 O ARG A 37 10.036 -7.729 2.464 1.00 0.00 O ATOM 545 CB ARG A 37 10.207 -4.453 2.087 1.00 0.00 C ATOM 546 CG ARG A 37 11.583 -4.955 2.528 1.00 0.00 C ATOM 547 CD ARG A 37 12.462 -3.768 2.916 1.00 0.00 C ATOM 548 NE ARG A 37 13.753 -4.242 3.400 1.00 0.00 N ATOM 549 CZ ARG A 37 14.742 -4.520 2.556 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.561 -4.376 1.272 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.891 -4.938 3.011 1.00 0.00 N ATOM 0 H ARG A 37 7.889 -4.170 1.334 1.00 0.00 H new ATOM 0 HA ARG A 37 9.886 -6.005 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.317 -3.671 1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.682 -4.010 2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.479 -5.635 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.051 -5.519 1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.605 -3.114 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.969 -3.177 3.688 1.00 0.00 H new ATOM 0 HE ARG A 37 13.900 -4.362 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.662 -4.051 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.319 -4.589 0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.031 -5.052 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.649 -5.151 2.363 1.00 0.00 H new ATOM 565 N SER A 38 8.434 -6.563 3.524 1.00 0.00 N ATOM 566 CA SER A 38 8.261 -7.563 4.570 1.00 0.00 C ATOM 567 C SER A 38 7.330 -8.676 4.107 1.00 0.00 C ATOM 568 O SER A 38 7.244 -9.724 4.746 1.00 0.00 O ATOM 569 CB SER A 38 7.680 -6.916 5.828 1.00 0.00 C ATOM 570 OG SER A 38 7.754 -7.839 6.908 1.00 0.00 O ATOM 0 H SER A 38 7.830 -5.746 3.613 1.00 0.00 H new ATOM 0 HA SER A 38 9.240 -7.988 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.232 -6.008 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.644 -6.623 5.655 1.00 0.00 H new ATOM 0 HG SER A 38 7.535 -8.738 6.586 1.00 0.00 H new ATOM 576 N LEU A 39 6.611 -8.437 3.013 1.00 0.00 N ATOM 577 CA LEU A 39 5.669 -9.427 2.507 1.00 0.00 C ATOM 578 C LEU A 39 6.364 -10.699 2.023 1.00 0.00 C ATOM 579 O LEU A 39 5.888 -11.791 2.322 1.00 0.00 O ATOM 580 CB LEU A 39 4.854 -8.821 1.354 1.00 0.00 C ATOM 581 CG LEU A 39 3.700 -9.764 0.953 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.498 -9.552 1.883 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.272 -9.479 -0.489 1.00 0.00 C ATOM 0 H LEU A 39 6.662 -7.577 2.467 1.00 0.00 H new ATOM 0 HA LEU A 39 5.014 -9.704 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.453 -7.853 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.503 -8.645 0.496 1.00 0.00 H new ATOM 0 HG LEU A 39 4.047 -10.794 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.690 -10.222 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.792 -9.764 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.158 -8.519 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.457 -10.148 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.937 -8.445 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.117 -9.641 -1.158 1.00 0.00 H new ATOM 595 N ASP A 40 7.481 -10.558 1.291 1.00 0.00 N ATOM 596 CA ASP A 40 8.231 -11.722 0.772 1.00 0.00 C ATOM 597 C ASP A 40 9.055 -11.344 -0.469 1.00 0.00 C ATOM 598 O ASP A 40 9.758 -12.186 -1.028 1.00 0.00 O ATOM 599 CB ASP A 40 7.269 -12.879 0.391 1.00 0.00 C ATOM 600 CG ASP A 40 7.114 -13.867 1.548 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.122 -14.233 2.130 1.00 0.00 O ATOM 602 OD2 ASP A 40 5.988 -14.242 1.830 1.00 0.00 O ATOM 0 H ASP A 40 7.886 -9.655 1.044 1.00 0.00 H new ATOM 0 HA ASP A 40 8.901 -12.048 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.294 -12.472 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.650 -13.399 -0.488 1.00 0.00 H new ATOM 607 N GLN A 41 8.969 -10.089 -0.900 1.00 0.00 N ATOM 608 CA GLN A 41 9.718 -9.641 -2.079 1.00 0.00 C ATOM 609 C GLN A 41 10.094 -8.174 -1.935 1.00 0.00 C ATOM 610 O GLN A 41 9.534 -7.470 -1.100 1.00 0.00 O ATOM 611 CB GLN A 41 8.879 -9.833 -3.342 1.00 0.00 C ATOM 612 CG GLN A 41 7.484 -9.245 -3.121 1.00 0.00 C ATOM 613 CD GLN A 41 6.663 -9.347 -4.402 1.00 0.00 C ATOM 614 OE1 GLN A 41 6.638 -10.397 -5.043 1.00 0.00 O ATOM 615 NE2 GLN A 41 5.988 -8.309 -4.817 1.00 0.00 N ATOM 0 H GLN A 41 8.397 -9.369 -0.460 1.00 0.00 H new ATOM 0 HA GLN A 41 10.627 -10.238 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.361 -9.345 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.804 -10.893 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.980 -9.777 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.565 -8.202 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.010 -7.440 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.438 -8.368 -5.674 1.00 0.00 H new ATOM 624 N ASN A 42 11.048 -7.716 -2.744 1.00 0.00 N ATOM 625 CA ASN A 42 11.491 -6.321 -2.678 1.00 0.00 C ATOM 626 C ASN A 42 11.679 -5.730 -4.076 1.00 0.00 C ATOM 627 O ASN A 42 12.806 -5.542 -4.531 1.00 0.00 O ATOM 628 CB ASN A 42 12.811 -6.235 -1.906 1.00 0.00 C ATOM 629 CG ASN A 42 12.776 -7.172 -0.703 1.00 0.00 C ATOM 630 OD1 ASN A 42 11.765 -7.255 -0.006 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.828 -7.888 -0.417 1.00 0.00 N ATOM 0 H ASN A 42 11.525 -8.282 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 42 10.721 -5.746 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.642 -6.501 -2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.981 -5.211 -1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.814 -8.518 0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.665 -7.818 -0.996 1.00 0.00 H new ATOM 638 N PRO A 43 10.602 -5.418 -4.748 1.00 0.00 N ATOM 639 CA PRO A 43 10.647 -4.809 -6.112 1.00 0.00 C ATOM 640 C PRO A 43 11.283 -3.420 -6.071 1.00 0.00 C ATOM 641 O PRO A 43 11.382 -2.810 -5.007 1.00 0.00 O ATOM 642 CB PRO A 43 9.165 -4.736 -6.542 1.00 0.00 C ATOM 643 CG PRO A 43 8.432 -5.643 -5.601 1.00 0.00 C ATOM 644 CD PRO A 43 9.220 -5.612 -4.294 1.00 0.00 C ATOM 0 HA PRO A 43 11.252 -5.388 -6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.787 -3.716 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.040 -5.058 -7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.408 -5.303 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.375 -6.656 -5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.891 -4.802 -3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.106 -6.539 -3.732 1.00 0.00 H new ATOM 652 N THR A 44 11.702 -2.917 -7.226 1.00 0.00 N ATOM 653 CA THR A 44 12.310 -1.596 -7.285 1.00 0.00 C ATOM 654 C THR A 44 11.222 -0.527 -7.334 1.00 0.00 C ATOM 655 O THR A 44 10.114 -0.778 -7.813 1.00 0.00 O ATOM 656 CB THR A 44 13.184 -1.490 -8.536 1.00 0.00 C ATOM 657 OG1 THR A 44 12.371 -1.651 -9.692 1.00 0.00 O ATOM 658 CG2 THR A 44 14.256 -2.582 -8.513 1.00 0.00 C ATOM 0 H THR A 44 11.633 -3.397 -8.123 1.00 0.00 H new ATOM 0 HA THR A 44 12.924 -1.445 -6.397 1.00 0.00 H new ATOM 0 HB THR A 44 13.667 -0.513 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.928 -1.582 -10.496 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.876 -2.502 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.879 -2.462 -7.627 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.778 -3.561 -8.490 1.00 0.00 H new ATOM 666 N GLU A 45 11.543 0.663 -6.830 1.00 0.00 N ATOM 667 CA GLU A 45 10.579 1.767 -6.821 1.00 0.00 C ATOM 668 C GLU A 45 9.782 1.770 -8.124 1.00 0.00 C ATOM 669 O GLU A 45 8.569 1.979 -8.123 1.00 0.00 O ATOM 670 CB GLU A 45 11.302 3.105 -6.655 1.00 0.00 C ATOM 671 CG GLU A 45 11.909 3.188 -5.253 1.00 0.00 C ATOM 672 CD GLU A 45 12.692 4.488 -5.101 1.00 0.00 C ATOM 673 OE1 GLU A 45 12.733 5.247 -6.055 1.00 0.00 O ATOM 674 OE2 GLU A 45 13.240 4.704 -4.033 1.00 0.00 O ATOM 0 H GLU A 45 12.452 0.889 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 45 9.898 1.629 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.084 3.203 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.605 3.929 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.120 3.139 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.566 2.336 -5.081 1.00 0.00 H new ATOM 681 N GLU A 46 10.478 1.538 -9.235 1.00 0.00 N ATOM 682 CA GLU A 46 9.837 1.518 -10.542 1.00 0.00 C ATOM 683 C GLU A 46 8.610 0.607 -10.522 1.00 0.00 C ATOM 684 O GLU A 46 7.523 1.009 -10.939 1.00 0.00 O ATOM 685 CB GLU A 46 10.835 1.014 -11.610 1.00 0.00 C ATOM 686 CG GLU A 46 12.270 1.289 -11.157 1.00 0.00 C ATOM 687 CD GLU A 46 13.233 1.086 -12.322 1.00 0.00 C ATOM 688 OE1 GLU A 46 13.377 -0.044 -12.757 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.812 2.066 -12.764 1.00 0.00 O ATOM 0 H GLU A 46 11.483 1.362 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 46 9.521 2.532 -10.788 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.695 -0.054 -11.774 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.644 1.511 -12.561 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.352 2.308 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.535 0.623 -10.336 1.00 0.00 H new ATOM 696 N GLU A 47 8.787 -0.619 -10.035 1.00 0.00 N ATOM 697 CA GLU A 47 7.678 -1.560 -9.974 1.00 0.00 C ATOM 698 C GLU A 47 6.591 -1.031 -9.047 1.00 0.00 C ATOM 699 O GLU A 47 5.404 -1.114 -9.357 1.00 0.00 O ATOM 700 CB GLU A 47 8.176 -2.922 -9.489 1.00 0.00 C ATOM 701 CG GLU A 47 9.063 -3.550 -10.567 1.00 0.00 C ATOM 702 CD GLU A 47 9.572 -4.909 -10.100 1.00 0.00 C ATOM 703 OE1 GLU A 47 8.748 -5.769 -9.833 1.00 0.00 O ATOM 704 OE2 GLU A 47 10.778 -5.071 -10.018 1.00 0.00 O ATOM 0 H GLU A 47 9.674 -0.978 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 47 7.256 -1.676 -10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.737 -2.808 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.331 -3.575 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.499 -3.663 -11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.905 -2.893 -10.785 1.00 0.00 H new ATOM 711 N LEU A 48 7.005 -0.469 -7.915 1.00 0.00 N ATOM 712 CA LEU A 48 6.050 0.091 -6.964 1.00 0.00 C ATOM 713 C LEU A 48 5.278 1.239 -7.607 1.00 0.00 C ATOM 714 O LEU A 48 4.064 1.353 -7.440 1.00 0.00 O ATOM 715 CB LEU A 48 6.806 0.584 -5.714 1.00 0.00 C ATOM 716 CG LEU A 48 6.929 -0.545 -4.685 1.00 0.00 C ATOM 717 CD1 LEU A 48 7.653 -1.731 -5.315 1.00 0.00 C ATOM 718 CD2 LEU A 48 7.722 -0.045 -3.476 1.00 0.00 C ATOM 0 H LEU A 48 7.983 -0.390 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 48 5.336 -0.679 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.798 0.937 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.280 1.431 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 48 5.935 -0.857 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.741 -2.534 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.088 -2.086 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.648 -1.422 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.811 -0.846 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.716 0.266 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.204 0.802 -3.027 1.00 0.00 H new ATOM 730 N GLN A 49 5.985 2.083 -8.345 1.00 0.00 N ATOM 731 CA GLN A 49 5.340 3.210 -9.006 1.00 0.00 C ATOM 732 C GLN A 49 4.329 2.710 -10.032 1.00 0.00 C ATOM 733 O GLN A 49 3.174 3.136 -10.033 1.00 0.00 O ATOM 734 CB GLN A 49 6.391 4.091 -9.687 1.00 0.00 C ATOM 735 CG GLN A 49 5.718 5.340 -10.260 1.00 0.00 C ATOM 736 CD GLN A 49 6.756 6.230 -10.935 1.00 0.00 C ATOM 737 OE1 GLN A 49 7.634 5.736 -11.643 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.707 7.523 -10.759 1.00 0.00 N ATOM 0 H GLN A 49 6.991 2.012 -8.500 1.00 0.00 H new ATOM 0 HA GLN A 49 4.815 3.803 -8.257 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.161 4.377 -8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.887 3.535 -10.483 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.951 5.052 -10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.217 5.891 -9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.979 7.931 -10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.397 8.125 -11.208 1.00 0.00 H new ATOM 747 N ASP A 50 4.765 1.809 -10.908 1.00 0.00 N ATOM 748 CA ASP A 50 3.877 1.270 -11.934 1.00 0.00 C ATOM 749 C ASP A 50 2.691 0.554 -11.294 1.00 0.00 C ATOM 750 O ASP A 50 1.570 0.638 -11.789 1.00 0.00 O ATOM 751 CB ASP A 50 4.643 0.297 -12.834 1.00 0.00 C ATOM 752 CG ASP A 50 3.695 -0.323 -13.857 1.00 0.00 C ATOM 753 OD1 ASP A 50 3.190 0.412 -14.690 1.00 0.00 O ATOM 754 OD2 ASP A 50 3.487 -1.523 -13.789 1.00 0.00 O ATOM 0 H ASP A 50 5.716 1.440 -10.929 1.00 0.00 H new ATOM 0 HA ASP A 50 3.504 2.099 -12.536 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.451 0.821 -13.345 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.102 -0.486 -12.230 1.00 0.00 H new ATOM 759 N MET A 51 2.937 -0.120 -10.174 1.00 0.00 N ATOM 760 CA MET A 51 1.856 -0.803 -9.467 1.00 0.00 C ATOM 761 C MET A 51 0.940 0.220 -8.803 1.00 0.00 C ATOM 762 O MET A 51 -0.283 0.143 -8.925 1.00 0.00 O ATOM 763 CB MET A 51 2.429 -1.754 -8.420 1.00 0.00 C ATOM 764 CG MET A 51 2.980 -2.996 -9.118 1.00 0.00 C ATOM 765 SD MET A 51 3.957 -3.967 -7.941 1.00 0.00 S ATOM 766 CE MET A 51 4.939 -4.892 -9.147 1.00 0.00 C ATOM 0 H MET A 51 3.857 -0.208 -9.742 1.00 0.00 H new ATOM 0 HA MET A 51 1.276 -1.383 -10.185 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.219 -1.259 -7.855 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.656 -2.037 -7.706 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.161 -3.598 -9.511 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.598 -2.705 -9.967 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.817 -5.311 -8.656 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.337 -5.699 -9.564 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.255 -4.224 -9.948 1.00 0.00 H new ATOM 776 N ILE A 52 1.539 1.191 -8.114 1.00 0.00 N ATOM 777 CA ILE A 52 0.758 2.234 -7.460 1.00 0.00 C ATOM 778 C ILE A 52 0.029 3.067 -8.505 1.00 0.00 C ATOM 779 O ILE A 52 -1.145 3.388 -8.345 1.00 0.00 O ATOM 780 CB ILE A 52 1.660 3.131 -6.597 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.135 2.338 -5.376 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.880 4.369 -6.129 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.247 3.112 -4.667 1.00 0.00 C ATOM 0 H ILE A 52 2.549 1.275 -7.996 1.00 0.00 H new ATOM 0 HA ILE A 52 0.025 1.761 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 52 2.517 3.454 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.303 2.168 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.499 1.358 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.528 4.998 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.539 4.934 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.019 4.055 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.586 2.548 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.082 3.259 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.867 4.082 -4.345 1.00 0.00 H new ATOM 795 N SER A 53 0.733 3.406 -9.574 1.00 0.00 N ATOM 796 CA SER A 53 0.131 4.199 -10.636 1.00 0.00 C ATOM 797 C SER A 53 -1.084 3.474 -11.199 1.00 0.00 C ATOM 798 O SER A 53 -2.134 4.078 -11.418 1.00 0.00 O ATOM 799 CB SER A 53 1.150 4.448 -11.748 1.00 0.00 C ATOM 800 OG SER A 53 0.554 5.253 -12.758 1.00 0.00 O ATOM 0 H SER A 53 1.708 3.149 -9.729 1.00 0.00 H new ATOM 0 HA SER A 53 -0.184 5.158 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.032 4.944 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.483 3.500 -12.171 1.00 0.00 H new ATOM 0 HG SER A 53 1.205 5.416 -13.472 1.00 0.00 H new ATOM 806 N GLU A 54 -0.933 2.176 -11.444 1.00 0.00 N ATOM 807 CA GLU A 54 -2.023 1.382 -11.997 1.00 0.00 C ATOM 808 C GLU A 54 -3.309 1.577 -11.190 1.00 0.00 C ATOM 809 O GLU A 54 -4.408 1.452 -11.731 1.00 0.00 O ATOM 810 CB GLU A 54 -1.632 -0.112 -12.004 1.00 0.00 C ATOM 811 CG GLU A 54 -2.289 -0.819 -13.198 1.00 0.00 C ATOM 812 CD GLU A 54 -3.806 -0.697 -13.105 1.00 0.00 C ATOM 813 OE1 GLU A 54 -4.329 -0.869 -12.016 1.00 0.00 O ATOM 814 OE2 GLU A 54 -4.422 -0.428 -14.123 1.00 0.00 O ATOM 0 H GLU A 54 -0.073 1.656 -11.270 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.205 1.716 -13.018 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.548 -0.213 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.947 -0.584 -11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.937 -0.379 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.001 -1.870 -13.213 1.00 0.00 H new ATOM 821 N VAL A 55 -3.172 1.879 -9.895 1.00 0.00 N ATOM 822 CA VAL A 55 -4.343 2.079 -9.029 1.00 0.00 C ATOM 823 C VAL A 55 -4.494 3.535 -8.607 1.00 0.00 C ATOM 824 O VAL A 55 -5.612 4.011 -8.420 1.00 0.00 O ATOM 825 CB VAL A 55 -4.224 1.201 -7.786 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.924 1.522 -7.048 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.416 1.451 -6.862 1.00 0.00 C ATOM 0 H VAL A 55 -2.273 1.990 -9.425 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.227 1.800 -9.602 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.216 0.153 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.844 0.893 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.076 1.332 -7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.924 2.570 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.328 0.822 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.431 2.499 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.340 1.210 -7.387 1.00 0.00 H new ATOM 837 N ASP A 56 -3.381 4.240 -8.448 1.00 0.00 N ATOM 838 CA ASP A 56 -3.459 5.628 -8.039 1.00 0.00 C ATOM 839 C ASP A 56 -4.178 6.413 -9.123 1.00 0.00 C ATOM 840 O ASP A 56 -3.559 7.067 -9.963 1.00 0.00 O ATOM 841 CB ASP A 56 -2.056 6.201 -7.796 1.00 0.00 C ATOM 842 CG ASP A 56 -2.134 7.433 -6.896 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.202 8.019 -6.821 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.125 7.773 -6.302 1.00 0.00 O ATOM 0 H ASP A 56 -2.437 3.881 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.012 5.704 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.422 5.444 -7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.594 6.466 -8.747 1.00 0.00 H new ATOM 849 N ALA A 57 -5.497 6.323 -9.092 1.00 0.00 N ATOM 850 CA ALA A 57 -6.324 7.015 -10.076 1.00 0.00 C ATOM 851 C ALA A 57 -5.990 8.502 -10.085 1.00 0.00 C ATOM 852 O ALA A 57 -6.022 9.150 -11.132 1.00 0.00 O ATOM 853 CB ALA A 57 -7.808 6.826 -9.753 1.00 0.00 C ATOM 0 H ALA A 57 -6.019 5.782 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.118 6.592 -11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.411 7.348 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.051 5.764 -9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.020 7.232 -8.764 1.00 0.00 H new ATOM 859 N ASP A 58 -5.679 9.038 -8.908 1.00 0.00 N ATOM 860 CA ASP A 58 -5.349 10.459 -8.779 1.00 0.00 C ATOM 861 C ASP A 58 -3.848 10.705 -8.947 1.00 0.00 C ATOM 862 O ASP A 58 -3.430 11.825 -9.240 1.00 0.00 O ATOM 863 CB ASP A 58 -5.799 10.969 -7.412 1.00 0.00 C ATOM 864 CG ASP A 58 -5.301 10.031 -6.320 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.529 8.838 -6.445 1.00 0.00 O ATOM 866 OD2 ASP A 58 -4.700 10.516 -5.376 1.00 0.00 O ATOM 0 H ASP A 58 -5.648 8.515 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.871 10.998 -9.569 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.413 11.974 -7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.886 11.035 -7.379 1.00 0.00 H new ATOM 871 N GLY A 59 -3.041 9.663 -8.767 1.00 0.00 N ATOM 872 CA GLY A 59 -1.595 9.807 -8.912 1.00 0.00 C ATOM 873 C GLY A 59 -1.025 10.760 -7.861 1.00 0.00 C ATOM 874 O GLY A 59 -0.148 11.570 -8.163 1.00 0.00 O ATOM 0 H GLY A 59 -3.357 8.724 -8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.119 8.831 -8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.362 10.180 -9.909 1.00 0.00 H new ATOM 878 N ASN A 60 -1.532 10.672 -6.632 1.00 0.00 N ATOM 879 CA ASN A 60 -1.061 11.550 -5.559 1.00 0.00 C ATOM 880 C ASN A 60 0.209 11.010 -4.903 1.00 0.00 C ATOM 881 O ASN A 60 0.909 11.746 -4.210 1.00 0.00 O ATOM 882 CB ASN A 60 -2.144 11.704 -4.491 1.00 0.00 C ATOM 883 CG ASN A 60 -2.478 10.344 -3.892 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.865 9.339 -4.252 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.420 10.249 -2.993 1.00 0.00 N ATOM 0 H ASN A 60 -2.259 10.012 -6.356 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.835 12.517 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.802 12.382 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.038 12.148 -4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.649 9.341 -2.588 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.927 11.083 -2.696 1.00 0.00 H new ATOM 892 N GLY A 61 0.507 9.725 -5.111 1.00 0.00 N ATOM 893 CA GLY A 61 1.698 9.116 -4.512 1.00 0.00 C ATOM 894 C GLY A 61 1.338 8.348 -3.241 1.00 0.00 C ATOM 895 O GLY A 61 2.211 7.845 -2.537 1.00 0.00 O ATOM 0 H GLY A 61 -0.052 9.092 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.166 8.441 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.429 9.890 -4.279 1.00 0.00 H new ATOM 899 N THR A 62 0.037 8.260 -2.965 1.00 0.00 N ATOM 900 CA THR A 62 -0.464 7.548 -1.785 1.00 0.00 C ATOM 901 C THR A 62 -1.619 6.633 -2.177 1.00 0.00 C ATOM 902 O THR A 62 -2.186 6.764 -3.264 1.00 0.00 O ATOM 903 CB THR A 62 -0.948 8.551 -0.734 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.097 9.229 -1.221 1.00 0.00 O ATOM 905 CG2 THR A 62 0.159 9.564 -0.444 1.00 0.00 C ATOM 0 H THR A 62 -0.693 8.674 -3.544 1.00 0.00 H new ATOM 0 HA THR A 62 0.347 6.949 -1.369 1.00 0.00 H new ATOM 0 HB THR A 62 -1.201 8.020 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.904 8.798 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.187 10.277 0.304 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.040 9.043 -0.069 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.415 10.095 -1.361 1.00 0.00 H new ATOM 913 N ILE A 63 -1.973 5.712 -1.279 1.00 0.00 N ATOM 914 CA ILE A 63 -3.074 4.776 -1.529 1.00 0.00 C ATOM 915 C ILE A 63 -4.110 4.888 -0.413 1.00 0.00 C ATOM 916 O ILE A 63 -3.764 4.856 0.768 1.00 0.00 O ATOM 917 CB ILE A 63 -2.547 3.337 -1.589 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.264 3.289 -2.425 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.590 2.432 -2.250 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.728 1.849 -2.485 1.00 0.00 C ATOM 0 H ILE A 63 -1.516 5.593 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.535 5.027 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.344 2.995 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.463 3.654 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.512 3.948 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.212 1.411 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.512 2.455 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.790 2.786 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.184 1.825 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.511 1.499 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.477 1.201 -2.941 1.00 0.00 H new ATOM 932 N GLU A 64 -5.381 5.017 -0.792 1.00 0.00 N ATOM 933 CA GLU A 64 -6.466 5.131 0.189 1.00 0.00 C ATOM 934 C GLU A 64 -7.234 3.816 0.285 1.00 0.00 C ATOM 935 O GLU A 64 -6.947 2.865 -0.442 1.00 0.00 O ATOM 936 CB GLU A 64 -7.415 6.260 -0.216 1.00 0.00 C ATOM 937 CG GLU A 64 -6.695 7.601 -0.061 1.00 0.00 C ATOM 938 CD GLU A 64 -7.586 8.733 -0.560 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.703 8.450 -0.963 1.00 0.00 O ATOM 940 OE2 GLU A 64 -7.138 9.869 -0.533 1.00 0.00 O ATOM 0 H GLU A 64 -5.686 5.045 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.035 5.357 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.741 6.125 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.310 6.240 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.436 7.765 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.761 7.588 -0.622 1.00 0.00 H new ATOM 947 N PHE A 65 -8.198 3.760 1.201 1.00 0.00 N ATOM 948 CA PHE A 65 -8.976 2.537 1.387 1.00 0.00 C ATOM 949 C PHE A 65 -9.631 2.103 0.074 1.00 0.00 C ATOM 950 O PHE A 65 -9.497 0.950 -0.335 1.00 0.00 O ATOM 951 CB PHE A 65 -10.057 2.756 2.459 1.00 0.00 C ATOM 952 CG PHE A 65 -11.087 1.640 2.404 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.809 0.390 2.969 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.318 1.863 1.769 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.763 -0.637 2.902 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.269 0.838 1.703 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.994 -0.412 2.268 1.00 0.00 C ATOM 0 H PHE A 65 -8.456 4.532 1.816 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.298 1.749 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.598 2.788 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.544 3.718 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.861 0.216 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.532 2.827 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.549 -1.601 3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.217 1.012 1.215 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.728 -1.202 2.216 1.00 0.00 H new ATOM 967 N ASP A 66 -10.353 3.013 -0.572 1.00 0.00 N ATOM 968 CA ASP A 66 -11.028 2.675 -1.821 1.00 0.00 C ATOM 969 C ASP A 66 -10.006 2.245 -2.866 1.00 0.00 C ATOM 970 O ASP A 66 -10.198 1.248 -3.565 1.00 0.00 O ATOM 971 CB ASP A 66 -11.811 3.895 -2.332 1.00 0.00 C ATOM 972 CG ASP A 66 -13.140 4.032 -1.588 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.544 3.080 -0.942 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.734 5.094 -1.678 1.00 0.00 O ATOM 0 H ASP A 66 -10.485 3.975 -0.259 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.719 1.852 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.217 4.799 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.996 3.794 -3.401 1.00 0.00 H new ATOM 979 N GLU A 67 -8.918 2.992 -2.959 1.00 0.00 N ATOM 980 CA GLU A 67 -7.870 2.670 -3.912 1.00 0.00 C ATOM 981 C GLU A 67 -7.255 1.316 -3.572 1.00 0.00 C ATOM 982 O GLU A 67 -7.055 0.474 -4.446 1.00 0.00 O ATOM 983 CB GLU A 67 -6.796 3.756 -3.873 1.00 0.00 C ATOM 984 CG GLU A 67 -7.370 5.063 -4.426 1.00 0.00 C ATOM 985 CD GLU A 67 -6.344 6.176 -4.272 1.00 0.00 C ATOM 986 OE1 GLU A 67 -5.322 5.920 -3.661 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.598 7.269 -4.754 1.00 0.00 O ATOM 0 H GLU A 67 -8.738 3.820 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.296 2.620 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.449 3.903 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.931 3.449 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.634 4.941 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.286 5.323 -3.896 1.00 0.00 H new ATOM 994 N PHE A 68 -6.974 1.112 -2.291 1.00 0.00 N ATOM 995 CA PHE A 68 -6.394 -0.145 -1.834 1.00 0.00 C ATOM 996 C PHE A 68 -7.325 -1.311 -2.143 1.00 0.00 C ATOM 997 O PHE A 68 -6.881 -2.376 -2.573 1.00 0.00 O ATOM 998 CB PHE A 68 -6.129 -0.090 -0.331 1.00 0.00 C ATOM 999 CG PHE A 68 -5.500 -1.393 0.114 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.140 -1.628 -0.116 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.281 -2.365 0.758 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.557 -2.833 0.295 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.697 -3.569 1.168 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.335 -3.803 0.939 1.00 0.00 C ATOM 0 H PHE A 68 -7.137 1.797 -1.553 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.452 -0.295 -2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.468 0.745 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.061 0.080 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.539 -0.879 -0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.331 -2.184 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.508 -3.014 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.297 -4.319 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.885 -4.731 1.259 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.617 -1.104 -1.920 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.602 -2.147 -2.174 1.00 0.00 C ATOM 1016 C LEU A 69 -9.595 -2.534 -3.649 1.00 0.00 C ATOM 1017 O LEU A 69 -9.702 -3.710 -3.993 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.000 -1.647 -1.774 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.068 -2.757 -2.018 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.777 -3.118 -0.705 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.122 -2.272 -3.024 1.00 0.00 C ATOM 0 H LEU A 69 -9.005 -0.230 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.347 -3.025 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.002 -1.357 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.253 -0.757 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.555 -3.634 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.519 -3.894 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.045 -3.483 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.271 -2.233 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.861 -3.057 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.617 -1.383 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.638 -2.031 -3.970 1.00 0.00 H new ATOM 1033 N SER A 70 -9.454 -1.539 -4.518 1.00 0.00 N ATOM 1034 CA SER A 70 -9.421 -1.806 -5.951 1.00 0.00 C ATOM 1035 C SER A 70 -8.219 -2.680 -6.300 1.00 0.00 C ATOM 1036 O SER A 70 -8.344 -3.649 -7.049 1.00 0.00 O ATOM 1037 CB SER A 70 -9.346 -0.492 -6.730 1.00 0.00 C ATOM 1038 OG SER A 70 -10.511 0.278 -6.467 1.00 0.00 O ATOM 0 H SER A 70 -9.362 -0.556 -4.261 1.00 0.00 H new ATOM 0 HA SER A 70 -10.334 -2.333 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.455 0.065 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.263 -0.693 -7.798 1.00 0.00 H new ATOM 0 HG SER A 70 -10.469 0.633 -5.555 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.059 -2.330 -5.756 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.841 -3.091 -6.021 1.00 0.00 C ATOM 1046 C LEU A 71 -5.965 -4.516 -5.489 1.00 0.00 C ATOM 1047 O LEU A 71 -5.552 -5.478 -6.142 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.642 -2.400 -5.362 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.345 -3.185 -5.633 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.127 -3.366 -7.145 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.162 -2.405 -5.044 1.00 0.00 C ATOM 0 H LEU A 71 -6.935 -1.531 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.692 -3.134 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.545 -1.384 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.807 -2.320 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.422 -4.169 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.206 -3.923 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.967 -3.915 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.054 -2.388 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.237 -2.951 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.104 -1.423 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.303 -2.286 -3.970 1.00 0.00 H new ATOM 1063 N MET A 72 -6.552 -4.645 -4.305 1.00 0.00 N ATOM 1064 CA MET A 72 -6.737 -5.963 -3.702 1.00 0.00 C ATOM 1065 C MET A 72 -7.652 -6.819 -4.572 1.00 0.00 C ATOM 1066 O MET A 72 -7.295 -7.932 -4.960 1.00 0.00 O ATOM 1067 CB MET A 72 -7.346 -5.813 -2.301 1.00 0.00 C ATOM 1068 CG MET A 72 -7.420 -7.181 -1.600 1.00 0.00 C ATOM 1069 SD MET A 72 -5.754 -7.710 -1.118 1.00 0.00 S ATOM 1070 CE MET A 72 -6.175 -8.321 0.533 1.00 0.00 C ATOM 0 H MET A 72 -6.904 -3.866 -3.749 1.00 0.00 H new ATOM 0 HA MET A 72 -5.766 -6.452 -3.624 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.744 -5.125 -1.707 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.344 -5.381 -2.375 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.060 -7.116 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.868 -7.918 -2.266 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.277 -8.702 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.593 -7.508 1.126 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.909 -9.122 0.448 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.832 -6.290 -4.888 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.782 -7.019 -5.723 1.00 0.00 C ATOM 1082 C ALA A 73 -9.213 -7.220 -7.125 1.00 0.00 C ATOM 1083 O ALA A 73 -9.577 -8.165 -7.827 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.107 -6.255 -5.803 1.00 0.00 C ATOM 0 H ALA A 73 -9.150 -5.370 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.961 -7.996 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.808 -6.807 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.524 -6.143 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.933 -5.270 -6.236 1.00 0.00 H new