USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 16 LYS NZ :NH3+ -173:sc= -0.0735 (180deg=-0.14) USER MOD Single : A 18 GLN : amide:sc= -4.13! C(o=-4.1!,f=-3.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0.223 USER MOD Single : A 36 SER OG : rot 44:sc= 0.00148 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 45 SER OG : rot 33:sc= 0.746 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.425 K(o=-0.43,f=-1.3) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 62 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.4!) USER MOD Single : A 64 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.32) USER MOD Single : A 70 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.95) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 78 HIS : no HD1:sc= -0.076 X(o=-0.076,f=-0.0091) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N GLY A 14 10.301 -2.125 10.602 1.00 0.00 N ATOM 144 CA GLY A 14 9.295 -1.461 9.793 1.00 0.00 C ATOM 145 C GLY A 14 8.067 -1.079 10.595 1.00 0.00 C ATOM 146 O GLY A 14 7.876 -1.553 11.714 1.00 0.00 O ATOM 0 HA2 GLY A 14 9.726 -0.566 9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.001 -2.117 8.974 1.00 0.00 H new ATOM 150 N GLU A 15 7.232 -0.217 10.021 1.00 0.00 N ATOM 151 CA GLU A 15 6.017 0.230 10.691 1.00 0.00 C ATOM 152 C GLU A 15 4.841 0.267 9.719 1.00 0.00 C ATOM 153 O GLU A 15 5.020 0.471 8.518 1.00 0.00 O ATOM 154 CB GLU A 15 6.228 1.615 11.307 1.00 0.00 C ATOM 155 CG GLU A 15 4.955 2.238 11.854 1.00 0.00 C ATOM 156 CD GLU A 15 4.557 1.665 13.201 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.344 1.802 14.160 1.00 0.00 O ATOM 158 OE2 GLU A 15 3.458 1.079 13.294 1.00 0.00 O ATOM 0 H GLU A 15 7.375 0.185 9.094 1.00 0.00 H new ATOM 0 HA GLU A 15 5.788 -0.482 11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.960 1.538 12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.652 2.278 10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.093 3.315 11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.144 2.082 11.143 1.00 0.00 H new ATOM 165 N LYS A 16 3.638 0.066 10.247 1.00 0.00 N ATOM 166 CA LYS A 16 2.432 0.077 9.429 1.00 0.00 C ATOM 167 C LYS A 16 2.078 1.497 8.999 1.00 0.00 C ATOM 168 O LYS A 16 1.722 2.337 9.826 1.00 0.00 O ATOM 169 CB LYS A 16 1.263 -0.540 10.200 1.00 0.00 C ATOM 170 CG LYS A 16 1.589 -1.885 10.827 1.00 0.00 C ATOM 171 CD LYS A 16 1.273 -3.031 9.881 1.00 0.00 C ATOM 172 CE LYS A 16 1.571 -4.379 10.521 1.00 0.00 C ATOM 173 NZ LYS A 16 0.675 -5.449 10.002 1.00 0.00 N ATOM 0 H LYS A 16 3.473 -0.107 11.239 1.00 0.00 H new ATOM 0 HA LYS A 16 2.624 -0.517 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.951 0.150 10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.416 -0.659 9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.644 -1.915 11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.020 -2.005 11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.223 -2.988 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.858 -2.923 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.609 -4.650 10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.456 -4.301 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.827 -6.323 10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.316 -5.149 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.887 -5.623 8.999 1.00 0.00 H new ATOM 187 N LEU A 17 2.178 1.759 7.700 1.00 0.00 N ATOM 188 CA LEU A 17 1.867 3.077 7.160 1.00 0.00 C ATOM 189 C LEU A 17 0.761 2.990 6.113 1.00 0.00 C ATOM 190 O LEU A 17 0.575 1.952 5.479 1.00 0.00 O ATOM 191 CB LEU A 17 3.118 3.706 6.544 1.00 0.00 C ATOM 192 CG LEU A 17 4.326 3.843 7.471 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.617 3.858 6.667 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.209 5.101 8.318 1.00 0.00 C ATOM 0 H LEU A 17 2.472 1.076 7.002 1.00 0.00 H new ATOM 0 HA LEU A 17 1.518 3.704 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.413 3.109 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.857 4.697 6.172 1.00 0.00 H new ATOM 0 HG LEU A 17 4.347 2.981 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.466 3.956 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.706 2.928 6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.605 4.700 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.078 5.182 8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.162 5.974 7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.304 5.050 8.923 1.00 0.00 H new ATOM 206 N GLN A 18 0.031 4.087 5.938 1.00 0.00 N ATOM 207 CA GLN A 18 -1.056 4.134 4.967 1.00 0.00 C ATOM 208 C GLN A 18 -0.888 5.316 4.018 1.00 0.00 C ATOM 209 O GLN A 18 -0.442 6.391 4.423 1.00 0.00 O ATOM 210 CB GLN A 18 -2.404 4.227 5.683 1.00 0.00 C ATOM 211 CG GLN A 18 -3.573 4.490 4.748 1.00 0.00 C ATOM 212 CD GLN A 18 -4.725 5.195 5.437 1.00 0.00 C ATOM 213 OE1 GLN A 18 -4.866 6.414 5.344 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.556 4.429 6.134 1.00 0.00 N ATOM 0 H GLN A 18 0.172 4.955 6.456 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.026 3.215 4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.584 3.298 6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.357 5.024 6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.232 5.095 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.925 3.544 4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.401 3.422 6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.349 4.847 6.619 1.00 0.00 H new ATOM 223 N ILE A 19 -1.247 5.111 2.756 1.00 0.00 N ATOM 224 CA ILE A 19 -1.136 6.161 1.750 1.00 0.00 C ATOM 225 C ILE A 19 -2.453 6.349 1.005 1.00 0.00 C ATOM 226 O ILE A 19 -3.052 5.385 0.526 1.00 0.00 O ATOM 227 CB ILE A 19 -0.023 5.851 0.733 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.308 5.626 1.453 1.00 0.00 C ATOM 229 CG2 ILE A 19 0.100 6.981 -0.279 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.821 6.855 2.171 1.00 0.00 C ATOM 0 H ILE A 19 -1.617 4.228 2.405 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.886 7.080 2.279 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.284 4.938 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.190 4.817 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.054 5.301 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.891 6.747 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.844 7.098 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.341 7.909 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.768 6.623 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.971 7.660 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.094 7.169 2.920 1.00 0.00 H new ATOM 242 N THR A 20 -2.899 7.598 0.907 1.00 0.00 N ATOM 243 CA THR A 20 -4.144 7.913 0.219 1.00 0.00 C ATOM 244 C THR A 20 -3.877 8.479 -1.170 1.00 0.00 C ATOM 245 O THR A 20 -3.271 9.542 -1.312 1.00 0.00 O ATOM 246 CB THR A 20 -4.987 8.924 1.019 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.243 8.417 2.334 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.305 9.208 0.314 1.00 0.00 C ATOM 0 H THR A 20 -2.416 8.408 1.296 1.00 0.00 H new ATOM 0 HA THR A 20 -4.699 6.979 0.127 1.00 0.00 H new ATOM 0 HB THR A 20 -4.425 9.855 1.092 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.778 9.066 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.883 9.924 0.898 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.107 9.621 -0.675 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.871 8.282 0.213 1.00 0.00 H new ATOM 256 N ILE A 21 -4.331 7.764 -2.193 1.00 0.00 N ATOM 257 CA ILE A 21 -4.142 8.197 -3.572 1.00 0.00 C ATOM 258 C ILE A 21 -5.404 8.855 -4.120 1.00 0.00 C ATOM 259 O ILE A 21 -6.509 8.341 -3.948 1.00 0.00 O ATOM 260 CB ILE A 21 -3.754 7.018 -4.484 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.542 6.279 -3.913 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.465 7.511 -5.894 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.296 4.933 -4.557 1.00 0.00 C ATOM 0 H ILE A 21 -4.833 6.882 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.330 8.924 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.592 6.322 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.655 6.900 -4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.684 6.139 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.192 6.666 -6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.353 7.996 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.642 8.225 -5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.422 4.467 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.166 4.294 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.122 5.067 -5.625 1.00 0.00 H new ATOM 275 N ARG A 22 -5.230 9.995 -4.782 1.00 0.00 N ATOM 276 CA ARG A 22 -6.355 10.724 -5.356 1.00 0.00 C ATOM 277 C ARG A 22 -6.274 10.735 -6.879 1.00 0.00 C ATOM 278 O ARG A 22 -5.435 11.422 -7.461 1.00 0.00 O ATOM 279 CB ARG A 22 -6.384 12.158 -4.825 1.00 0.00 C ATOM 280 CG ARG A 22 -7.762 12.799 -4.878 1.00 0.00 C ATOM 281 CD ARG A 22 -7.669 14.315 -4.941 1.00 0.00 C ATOM 282 NE ARG A 22 -8.987 14.942 -4.996 1.00 0.00 N ATOM 283 CZ ARG A 22 -9.205 16.148 -5.508 1.00 0.00 C ATOM 284 NH1 ARG A 22 -8.199 16.854 -6.006 1.00 0.00 N ATOM 285 NH2 ARG A 22 -10.433 16.652 -5.523 1.00 0.00 N ATOM 0 H ARG A 22 -4.322 10.433 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.274 10.217 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.030 12.162 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.688 12.765 -5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.303 12.430 -5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.335 12.505 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.129 14.682 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.092 14.607 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.783 14.426 -4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.254 16.471 -5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.371 17.780 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.210 16.113 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.599 17.578 -5.916 1.00 0.00 H new ATOM 299 N ARG A 23 -7.153 9.970 -7.519 1.00 0.00 N ATOM 300 CA ARG A 23 -7.180 9.890 -8.974 1.00 0.00 C ATOM 301 C ARG A 23 -6.982 11.269 -9.598 1.00 0.00 C ATOM 302 O ARG A 23 -7.722 12.207 -9.303 1.00 0.00 O ATOM 303 CB ARG A 23 -8.505 9.289 -9.449 1.00 0.00 C ATOM 304 CG ARG A 23 -8.474 8.809 -10.890 1.00 0.00 C ATOM 305 CD ARG A 23 -9.671 7.927 -11.209 1.00 0.00 C ATOM 306 NE ARG A 23 -9.718 7.558 -12.622 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.834 7.218 -13.256 1.00 0.00 C ATOM 308 NH1 ARG A 23 -11.990 7.200 -12.606 1.00 0.00 N ATOM 309 NH2 ARG A 23 -10.796 6.894 -14.542 1.00 0.00 N ATOM 0 H ARG A 23 -7.856 9.397 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.361 9.245 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.767 8.452 -8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.292 10.035 -9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.465 9.668 -11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.553 8.254 -11.070 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.629 7.024 -10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.589 8.450 -10.940 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.846 7.562 -13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.023 7.448 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.846 6.939 -13.095 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.909 6.906 -15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.654 6.633 -15.028 1.00 0.00 H new ATOM 371 N PHE A 28 -5.228 6.424 -11.447 1.00 0.00 N ATOM 372 CA PHE A 28 -4.701 6.519 -10.091 1.00 0.00 C ATOM 373 C PHE A 28 -3.223 6.898 -10.107 1.00 0.00 C ATOM 374 O PHE A 28 -2.794 7.800 -9.390 1.00 0.00 O ATOM 375 CB PHE A 28 -4.891 5.192 -9.353 1.00 0.00 C ATOM 376 CG PHE A 28 -6.288 4.985 -8.844 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.793 5.776 -7.825 1.00 0.00 C ATOM 378 CD2 PHE A 28 -7.097 3.998 -9.384 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.078 5.587 -7.353 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.383 3.804 -8.917 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.875 4.600 -7.901 1.00 0.00 C ATOM 0 HA PHE A 28 -5.253 7.300 -9.568 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.632 4.372 -10.023 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.197 5.149 -8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.175 6.550 -7.394 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.718 3.373 -10.179 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.459 6.210 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.003 3.031 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.880 4.451 -7.536 1.00 0.00 H new ATOM 391 N GLY A 29 -2.448 6.200 -10.932 1.00 0.00 N ATOM 392 CA GLY A 29 -1.026 6.476 -11.027 1.00 0.00 C ATOM 393 C GLY A 29 -0.176 5.292 -10.613 1.00 0.00 C ATOM 394 O GLY A 29 0.783 4.937 -11.298 1.00 0.00 O ATOM 0 H GLY A 29 -2.780 5.448 -11.536 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.781 6.754 -12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.782 7.332 -10.397 1.00 0.00 H new ATOM 398 N PHE A 30 -0.528 4.678 -9.488 1.00 0.00 N ATOM 399 CA PHE A 30 0.211 3.527 -8.982 1.00 0.00 C ATOM 400 C PHE A 30 -0.375 2.225 -9.519 1.00 0.00 C ATOM 401 O PHE A 30 -1.579 2.123 -9.757 1.00 0.00 O ATOM 402 CB PHE A 30 0.193 3.515 -7.452 1.00 0.00 C ATOM 403 CG PHE A 30 -0.987 2.788 -6.872 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.262 3.000 -7.372 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.821 1.892 -5.829 1.00 0.00 C ATOM 406 CE1 PHE A 30 -3.349 2.333 -6.839 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.904 1.222 -5.293 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.170 1.442 -5.800 1.00 0.00 C ATOM 0 H PHE A 30 -1.320 4.958 -8.910 1.00 0.00 H new ATOM 0 HA PHE A 30 1.242 3.609 -9.326 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.110 3.050 -7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.191 4.543 -7.089 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.408 3.694 -8.187 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.167 1.715 -5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.338 2.509 -7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.761 0.527 -4.479 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.018 0.918 -5.384 1.00 0.00 H new ATOM 418 N THR A 31 0.486 1.229 -9.708 1.00 0.00 N ATOM 419 CA THR A 31 0.055 -0.066 -10.219 1.00 0.00 C ATOM 420 C THR A 31 0.350 -1.177 -9.218 1.00 0.00 C ATOM 421 O THR A 31 1.435 -1.230 -8.637 1.00 0.00 O ATOM 422 CB THR A 31 0.743 -0.400 -11.556 1.00 0.00 C ATOM 423 OG1 THR A 31 2.111 0.022 -11.522 1.00 0.00 O ATOM 424 CG2 THR A 31 0.027 0.276 -12.716 1.00 0.00 C ATOM 0 H THR A 31 1.485 1.295 -9.515 1.00 0.00 H new ATOM 0 HA THR A 31 -1.021 -0.000 -10.379 1.00 0.00 H new ATOM 0 HB THR A 31 0.700 -1.479 -11.702 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.542 -0.195 -12.375 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.531 0.026 -13.650 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.006 -0.069 -12.757 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.043 1.357 -12.573 1.00 0.00 H new ATOM 432 N ILE A 32 -0.620 -2.063 -9.021 1.00 0.00 N ATOM 433 CA ILE A 32 -0.463 -3.175 -8.091 1.00 0.00 C ATOM 434 C ILE A 32 -1.092 -4.448 -8.645 1.00 0.00 C ATOM 435 O ILE A 32 -2.282 -4.478 -8.960 1.00 0.00 O ATOM 436 CB ILE A 32 -1.093 -2.857 -6.723 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.601 -2.643 -6.868 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.436 -1.630 -6.109 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.411 -3.907 -6.683 1.00 0.00 C ATOM 0 H ILE A 32 -1.524 -2.033 -9.493 1.00 0.00 H new ATOM 0 HA ILE A 32 0.608 -3.329 -7.961 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.927 -3.705 -6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.927 -1.902 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.808 -2.230 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.893 -1.418 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.629 -1.817 -5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.573 -0.774 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.471 -3.680 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.113 -4.643 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.234 -4.310 -5.686 1.00 0.00 H new ATOM 451 N CYS A 33 -0.287 -5.498 -8.759 1.00 0.00 N ATOM 452 CA CYS A 33 -0.765 -6.777 -9.274 1.00 0.00 C ATOM 453 C CYS A 33 0.031 -7.934 -8.680 1.00 0.00 C ATOM 454 O CYS A 33 1.254 -7.991 -8.811 1.00 0.00 O ATOM 455 CB CYS A 33 -0.667 -6.804 -10.800 1.00 0.00 C ATOM 456 SG CYS A 33 -1.340 -8.303 -11.555 1.00 0.00 S ATOM 0 H CYS A 33 0.700 -5.490 -8.502 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.809 -6.891 -8.982 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.194 -5.939 -11.203 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.379 -6.703 -11.088 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.214 -8.232 -12.847 1.00 0.00 H new ATOM 462 N CYS A 34 -0.670 -8.853 -8.025 1.00 0.00 N ATOM 463 CA CYS A 34 -0.029 -10.008 -7.408 1.00 0.00 C ATOM 464 C CYS A 34 -1.066 -10.943 -6.795 1.00 0.00 C ATOM 465 O CYS A 34 -2.269 -10.703 -6.895 1.00 0.00 O ATOM 466 CB CYS A 34 0.964 -9.555 -6.336 1.00 0.00 C ATOM 467 SG CYS A 34 2.387 -10.652 -6.137 1.00 0.00 S ATOM 0 H CYS A 34 -1.683 -8.820 -7.908 1.00 0.00 H new ATOM 0 HA CYS A 34 0.509 -10.551 -8.185 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.321 -8.556 -6.586 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.442 -9.478 -5.382 1.00 0.00 H new ATOM 0 HG CYS A 34 3.170 -10.184 -5.210 1.00 0.00 H new ATOM 473 N ASP A 35 -0.592 -12.010 -6.161 1.00 0.00 N ATOM 474 CA ASP A 35 -1.478 -12.982 -5.532 1.00 0.00 C ATOM 475 C ASP A 35 -1.324 -12.957 -4.015 1.00 0.00 C ATOM 476 O ASP A 35 -0.211 -13.028 -3.493 1.00 0.00 O ATOM 477 CB ASP A 35 -1.189 -14.387 -6.063 1.00 0.00 C ATOM 478 CG ASP A 35 -0.665 -14.372 -7.486 1.00 0.00 C ATOM 479 OD1 ASP A 35 -1.451 -14.054 -8.403 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.529 -14.679 -7.682 1.00 0.00 O ATOM 0 H ASP A 35 0.401 -12.224 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.505 -12.713 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.460 -14.874 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.101 -14.983 -6.021 1.00 0.00 H new ATOM 485 N SER A 36 -2.447 -12.853 -3.312 1.00 0.00 N ATOM 486 CA SER A 36 -2.436 -12.812 -1.854 1.00 0.00 C ATOM 487 C SER A 36 -1.267 -13.619 -1.298 1.00 0.00 C ATOM 488 O SER A 36 -1.150 -14.825 -1.520 1.00 0.00 O ATOM 489 CB SER A 36 -3.755 -13.353 -1.298 1.00 0.00 C ATOM 490 OG SER A 36 -4.185 -14.493 -2.022 1.00 0.00 O ATOM 0 H SER A 36 -3.376 -12.796 -3.728 1.00 0.00 H new ATOM 0 HA SER A 36 -2.318 -11.774 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.631 -13.612 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.519 -12.577 -1.347 1.00 0.00 H new ATOM 0 HG SER A 36 -3.422 -15.088 -2.179 1.00 0.00 H new ATOM 496 N PRO A 37 -0.380 -12.940 -0.556 1.00 0.00 N ATOM 497 CA PRO A 37 -0.509 -11.505 -0.285 1.00 0.00 C ATOM 498 C PRO A 37 -0.267 -10.656 -1.529 1.00 0.00 C ATOM 499 O PRO A 37 0.516 -11.028 -2.403 1.00 0.00 O ATOM 500 CB PRO A 37 0.577 -11.242 0.762 1.00 0.00 C ATOM 501 CG PRO A 37 1.588 -12.313 0.535 1.00 0.00 C ATOM 502 CD PRO A 37 0.817 -13.519 0.076 1.00 0.00 C ATOM 0 HA PRO A 37 -1.513 -11.242 0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.015 -10.251 0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.172 -11.288 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.318 -12.008 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.141 -12.528 1.449 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.393 -14.119 -0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.556 -14.170 0.910 1.00 0.00 H new ATOM 510 N VAL A 38 -0.943 -9.514 -1.601 1.00 0.00 N ATOM 511 CA VAL A 38 -0.800 -8.612 -2.737 1.00 0.00 C ATOM 512 C VAL A 38 0.379 -7.666 -2.542 1.00 0.00 C ATOM 513 O VAL A 38 0.703 -7.284 -1.417 1.00 0.00 O ATOM 514 CB VAL A 38 -2.078 -7.782 -2.960 1.00 0.00 C ATOM 515 CG1 VAL A 38 -1.912 -6.854 -4.154 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.280 -8.695 -3.147 1.00 0.00 C ATOM 0 H VAL A 38 -1.595 -9.192 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.622 -9.234 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.250 -7.169 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.825 -6.276 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.078 -6.176 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.714 -7.444 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.174 -8.092 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.119 -9.336 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.410 -9.312 -2.258 1.00 0.00 H new ATOM 526 N ARG A 39 1.018 -7.290 -3.646 1.00 0.00 N ATOM 527 CA ARG A 39 2.163 -6.388 -3.596 1.00 0.00 C ATOM 528 C ARG A 39 2.062 -5.321 -4.683 1.00 0.00 C ATOM 529 O ARG A 39 1.310 -5.470 -5.646 1.00 0.00 O ATOM 530 CB ARG A 39 3.465 -7.174 -3.758 1.00 0.00 C ATOM 531 CG ARG A 39 4.045 -7.669 -2.443 1.00 0.00 C ATOM 532 CD ARG A 39 5.026 -6.667 -1.854 1.00 0.00 C ATOM 533 NE ARG A 39 6.393 -6.910 -2.306 1.00 0.00 N ATOM 534 CZ ARG A 39 7.434 -6.176 -1.928 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.264 -5.158 -1.095 1.00 0.00 N ATOM 536 NH2 ARG A 39 8.648 -6.460 -2.382 1.00 0.00 N ATOM 0 H ARG A 39 0.762 -7.596 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 39 2.163 -5.894 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.285 -8.028 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.201 -6.543 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.238 -7.850 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.549 -8.622 -2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.725 -5.657 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.989 -6.720 -0.766 1.00 0.00 H new ATOM 0 HE ARG A 39 6.558 -7.686 -2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.332 -4.937 -0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.065 -4.596 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.783 -7.243 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.446 -5.896 -2.091 1.00 0.00 H new ATOM 550 N VAL A 40 2.824 -4.245 -4.520 1.00 0.00 N ATOM 551 CA VAL A 40 2.821 -3.153 -5.487 1.00 0.00 C ATOM 552 C VAL A 40 3.720 -3.470 -6.676 1.00 0.00 C ATOM 553 O VAL A 40 4.767 -4.099 -6.525 1.00 0.00 O ATOM 554 CB VAL A 40 3.286 -1.833 -4.844 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.220 -0.696 -5.851 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.449 -1.516 -3.614 1.00 0.00 C ATOM 0 H VAL A 40 3.451 -4.105 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 40 1.793 -3.038 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 40 4.323 -1.948 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.552 0.228 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.866 -0.923 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.194 -0.577 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.791 -0.580 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.402 -1.420 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.553 -2.320 -2.886 1.00 0.00 H new ATOM 566 N GLN A 41 3.304 -3.030 -7.859 1.00 0.00 N ATOM 567 CA GLN A 41 4.072 -3.268 -9.076 1.00 0.00 C ATOM 568 C GLN A 41 5.064 -2.136 -9.323 1.00 0.00 C ATOM 569 O GLN A 41 6.265 -2.370 -9.461 1.00 0.00 O ATOM 570 CB GLN A 41 3.135 -3.410 -10.276 1.00 0.00 C ATOM 571 CG GLN A 41 3.861 -3.492 -11.609 1.00 0.00 C ATOM 572 CD GLN A 41 2.931 -3.818 -12.761 1.00 0.00 C ATOM 573 OE1 GLN A 41 2.251 -4.844 -12.754 1.00 0.00 O ATOM 574 NE2 GLN A 41 2.898 -2.943 -13.760 1.00 0.00 N ATOM 0 H GLN A 41 2.440 -2.507 -8.001 1.00 0.00 H new ATOM 0 HA GLN A 41 4.630 -4.195 -8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.527 -4.305 -10.147 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.452 -2.561 -10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.359 -2.543 -11.806 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.639 -4.253 -11.548 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.479 -2.105 -13.724 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.292 -3.109 -14.563 1.00 0.00 H new ATOM 583 N ALA A 42 4.555 -0.910 -9.376 1.00 0.00 N ATOM 584 CA ALA A 42 5.397 0.258 -9.605 1.00 0.00 C ATOM 585 C ALA A 42 4.591 1.547 -9.489 1.00 0.00 C ATOM 586 O ALA A 42 3.367 1.540 -9.621 1.00 0.00 O ATOM 587 CB ALA A 42 6.062 0.170 -10.970 1.00 0.00 C ATOM 0 H ALA A 42 3.563 -0.699 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 42 6.170 0.274 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.688 1.049 -11.127 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.679 -0.728 -11.017 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.297 0.126 -11.745 1.00 0.00 H new ATOM 593 N VAL A 43 5.285 2.653 -9.241 1.00 0.00 N ATOM 594 CA VAL A 43 4.634 3.951 -9.108 1.00 0.00 C ATOM 595 C VAL A 43 4.991 4.867 -10.273 1.00 0.00 C ATOM 596 O VAL A 43 6.164 5.044 -10.599 1.00 0.00 O ATOM 597 CB VAL A 43 5.023 4.642 -7.787 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.336 5.993 -7.669 1.00 0.00 C ATOM 599 CG2 VAL A 43 4.680 3.754 -6.601 1.00 0.00 C ATOM 0 H VAL A 43 6.298 2.676 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 43 3.560 3.768 -9.110 1.00 0.00 H new ATOM 0 HB VAL A 43 6.100 4.808 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.623 6.466 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.637 6.628 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.255 5.855 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.961 4.257 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.608 3.554 -6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.224 2.813 -6.682 1.00 0.00 H new ATOM 609 N ASP A 44 3.971 5.447 -10.895 1.00 0.00 N ATOM 610 CA ASP A 44 4.176 6.348 -12.024 1.00 0.00 C ATOM 611 C ASP A 44 4.781 7.670 -11.561 1.00 0.00 C ATOM 612 O ASP A 44 4.484 8.150 -10.468 1.00 0.00 O ATOM 613 CB ASP A 44 2.853 6.603 -12.748 1.00 0.00 C ATOM 614 CG ASP A 44 3.054 7.016 -14.193 1.00 0.00 C ATOM 615 OD1 ASP A 44 3.526 6.178 -14.989 1.00 0.00 O ATOM 616 OD2 ASP A 44 2.739 8.177 -14.527 1.00 0.00 O ATOM 0 H ASP A 44 2.994 5.310 -10.637 1.00 0.00 H new ATOM 0 HA ASP A 44 4.872 5.873 -12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.243 5.700 -12.713 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.300 7.382 -12.224 1.00 0.00 H new ATOM 621 N SER A 45 5.631 8.252 -12.401 1.00 0.00 N ATOM 622 CA SER A 45 6.282 9.516 -12.076 1.00 0.00 C ATOM 623 C SER A 45 5.420 10.697 -12.510 1.00 0.00 C ATOM 624 O SER A 45 5.234 10.941 -13.701 1.00 0.00 O ATOM 625 CB SER A 45 7.653 9.596 -12.750 1.00 0.00 C ATOM 626 OG SER A 45 7.533 9.526 -14.160 1.00 0.00 O ATOM 0 H SER A 45 5.885 7.869 -13.311 1.00 0.00 H new ATOM 0 HA SER A 45 6.414 9.562 -10.995 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.146 10.527 -12.470 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.284 8.782 -12.395 1.00 0.00 H new ATOM 0 HG SER A 45 6.698 9.956 -14.439 1.00 0.00 H new ATOM 632 N GLY A 46 4.895 11.429 -11.532 1.00 0.00 N ATOM 633 CA GLY A 46 4.058 12.577 -11.831 1.00 0.00 C ATOM 634 C GLY A 46 2.592 12.313 -11.553 1.00 0.00 C ATOM 635 O GLY A 46 1.717 12.896 -12.192 1.00 0.00 O ATOM 0 H GLY A 46 5.034 11.248 -10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.390 13.429 -11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.183 12.851 -12.879 1.00 0.00 H new ATOM 639 N GLY A 47 2.321 11.430 -10.596 1.00 0.00 N ATOM 640 CA GLY A 47 0.949 11.105 -10.253 1.00 0.00 C ATOM 641 C GLY A 47 0.618 11.435 -8.811 1.00 0.00 C ATOM 642 O GLY A 47 1.486 11.812 -8.023 1.00 0.00 O ATOM 0 H GLY A 47 3.027 10.934 -10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.274 11.651 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.776 10.043 -10.429 1.00 0.00 H new ATOM 646 N PRO A 48 -0.665 11.295 -8.448 1.00 0.00 N ATOM 647 CA PRO A 48 -1.139 11.577 -7.089 1.00 0.00 C ATOM 648 C PRO A 48 -0.638 10.552 -6.077 1.00 0.00 C ATOM 649 O PRO A 48 -0.630 10.808 -4.873 1.00 0.00 O ATOM 650 CB PRO A 48 -2.662 11.499 -7.221 1.00 0.00 C ATOM 651 CG PRO A 48 -2.895 10.603 -8.388 1.00 0.00 C ATOM 652 CD PRO A 48 -1.753 10.850 -9.335 1.00 0.00 C ATOM 0 HA PRO A 48 -0.779 12.538 -6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.118 11.097 -6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.096 12.485 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.926 9.558 -8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.851 10.823 -8.864 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.482 9.947 -9.882 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.003 11.609 -10.077 1.00 0.00 H new ATOM 660 N ALA A 49 -0.221 9.392 -6.573 1.00 0.00 N ATOM 661 CA ALA A 49 0.284 8.330 -5.711 1.00 0.00 C ATOM 662 C ALA A 49 1.652 8.689 -5.141 1.00 0.00 C ATOM 663 O ALA A 49 1.856 8.656 -3.928 1.00 0.00 O ATOM 664 CB ALA A 49 0.357 7.018 -6.478 1.00 0.00 C ATOM 0 H ALA A 49 -0.223 9.164 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.408 8.213 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.736 6.234 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.638 6.747 -6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.026 7.132 -7.331 1.00 0.00 H new ATOM 670 N GLU A 50 2.585 9.031 -6.024 1.00 0.00 N ATOM 671 CA GLU A 50 3.934 9.394 -5.607 1.00 0.00 C ATOM 672 C GLU A 50 3.916 10.651 -4.742 1.00 0.00 C ATOM 673 O GLU A 50 4.400 10.644 -3.610 1.00 0.00 O ATOM 674 CB GLU A 50 4.827 9.616 -6.830 1.00 0.00 C ATOM 675 CG GLU A 50 6.297 9.332 -6.569 1.00 0.00 C ATOM 676 CD GLU A 50 7.200 9.897 -7.648 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.362 9.234 -8.694 1.00 0.00 O ATOM 678 OE2 GLU A 50 7.746 11.003 -7.446 1.00 0.00 O ATOM 0 H GLU A 50 2.431 9.064 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 50 4.338 8.572 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.481 8.978 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.719 10.647 -7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.580 9.756 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.449 8.255 -6.501 1.00 0.00 H new ATOM 685 N ARG A 51 3.355 11.727 -5.283 1.00 0.00 N ATOM 686 CA ARG A 51 3.275 12.991 -4.561 1.00 0.00 C ATOM 687 C ARG A 51 2.840 12.766 -3.116 1.00 0.00 C ATOM 688 O ARG A 51 3.428 13.320 -2.188 1.00 0.00 O ATOM 689 CB ARG A 51 2.297 13.939 -5.258 1.00 0.00 C ATOM 690 CG ARG A 51 2.782 14.429 -6.612 1.00 0.00 C ATOM 691 CD ARG A 51 1.914 15.560 -7.140 1.00 0.00 C ATOM 692 NE ARG A 51 2.560 16.282 -8.233 1.00 0.00 N ATOM 693 CZ ARG A 51 1.912 17.087 -9.067 1.00 0.00 C ATOM 694 NH1 ARG A 51 0.606 17.272 -8.933 1.00 0.00 N ATOM 695 NH2 ARG A 51 2.569 17.709 -10.037 1.00 0.00 N ATOM 0 H ARG A 51 2.949 11.749 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 51 4.267 13.442 -4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.341 13.431 -5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.117 14.799 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.814 14.770 -6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.776 13.602 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.962 15.156 -7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.690 16.254 -6.330 1.00 0.00 H new ATOM 0 HE ARG A 51 3.564 16.161 -8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.097 16.796 -8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.110 17.891 -9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.574 17.569 -10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.069 18.327 -10.677 1.00 0.00 H new ATOM 709 N ALA A 52 1.807 11.951 -2.934 1.00 0.00 N ATOM 710 CA ALA A 52 1.294 11.652 -1.603 1.00 0.00 C ATOM 711 C ALA A 52 2.363 10.990 -0.740 1.00 0.00 C ATOM 712 O ALA A 52 2.400 11.181 0.475 1.00 0.00 O ATOM 713 CB ALA A 52 0.064 10.761 -1.699 1.00 0.00 C ATOM 0 H ALA A 52 1.308 11.485 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 52 1.012 12.592 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.308 10.546 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.710 11.270 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.329 9.828 -2.196 1.00 0.00 H new ATOM 719 N GLY A 53 3.231 10.208 -1.376 1.00 0.00 N ATOM 720 CA GLY A 53 4.288 9.529 -0.649 1.00 0.00 C ATOM 721 C GLY A 53 4.183 8.020 -0.750 1.00 0.00 C ATOM 722 O GLY A 53 4.427 7.307 0.225 1.00 0.00 O ATOM 0 H GLY A 53 3.221 10.033 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.255 9.850 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.251 9.824 0.400 1.00 0.00 H new ATOM 726 N LEU A 54 3.819 7.531 -1.930 1.00 0.00 N ATOM 727 CA LEU A 54 3.681 6.097 -2.154 1.00 0.00 C ATOM 728 C LEU A 54 4.922 5.530 -2.836 1.00 0.00 C ATOM 729 O LEU A 54 5.351 6.029 -3.876 1.00 0.00 O ATOM 730 CB LEU A 54 2.442 5.810 -3.004 1.00 0.00 C ATOM 731 CG LEU A 54 1.878 4.392 -2.912 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.458 4.346 -3.455 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.770 3.414 -3.662 1.00 0.00 C ATOM 0 H LEU A 54 3.614 8.107 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 54 3.569 5.612 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.658 6.511 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.686 6.016 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 54 1.853 4.099 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.073 3.329 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.175 5.017 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.457 4.659 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.353 2.410 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.827 3.705 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.769 3.426 -3.227 1.00 0.00 H new ATOM 745 N GLN A 55 5.490 4.485 -2.245 1.00 0.00 N ATOM 746 CA GLN A 55 6.681 3.849 -2.797 1.00 0.00 C ATOM 747 C GLN A 55 6.401 2.396 -3.166 1.00 0.00 C ATOM 748 O GLN A 55 5.883 1.630 -2.355 1.00 0.00 O ATOM 749 CB GLN A 55 7.834 3.921 -1.795 1.00 0.00 C ATOM 750 CG GLN A 55 9.132 3.325 -2.317 1.00 0.00 C ATOM 751 CD GLN A 55 10.070 2.903 -1.204 1.00 0.00 C ATOM 752 OE1 GLN A 55 11.072 3.566 -0.936 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.749 1.794 -0.548 1.00 0.00 N ATOM 0 H GLN A 55 5.145 4.060 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 55 6.963 4.386 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.005 4.963 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.545 3.399 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.905 2.462 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.633 4.056 -2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.909 1.275 -0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.343 1.461 0.212 1.00 0.00 H new ATOM 762 N GLN A 56 6.748 2.025 -4.395 1.00 0.00 N ATOM 763 CA GLN A 56 6.532 0.664 -4.870 1.00 0.00 C ATOM 764 C GLN A 56 7.159 -0.350 -3.920 1.00 0.00 C ATOM 765 O GLN A 56 7.813 0.019 -2.943 1.00 0.00 O ATOM 766 CB GLN A 56 7.116 0.494 -6.274 1.00 0.00 C ATOM 767 CG GLN A 56 8.634 0.424 -6.297 1.00 0.00 C ATOM 768 CD GLN A 56 9.163 -0.421 -7.440 1.00 0.00 C ATOM 769 OE1 GLN A 56 8.626 -1.488 -7.738 1.00 0.00 O ATOM 770 NE2 GLN A 56 10.221 0.053 -8.087 1.00 0.00 N ATOM 0 H GLN A 56 7.179 2.647 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 56 5.458 0.484 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.712 -0.415 -6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.789 1.326 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.039 1.433 -6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.989 0.013 -5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.634 0.942 -7.806 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.620 -0.472 -8.865 1.00 0.00 H new ATOM 779 N LEU A 57 6.955 -1.631 -4.210 1.00 0.00 N ATOM 780 CA LEU A 57 7.500 -2.700 -3.380 1.00 0.00 C ATOM 781 C LEU A 57 6.919 -2.645 -1.971 1.00 0.00 C ATOM 782 O LEU A 57 7.653 -2.693 -0.984 1.00 0.00 O ATOM 783 CB LEU A 57 9.025 -2.598 -3.320 1.00 0.00 C ATOM 784 CG LEU A 57 9.761 -2.746 -4.652 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.165 -2.169 -4.553 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.811 -4.207 -5.074 1.00 0.00 C ATOM 0 H LEU A 57 6.416 -1.954 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 57 7.223 -3.653 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.288 -1.632 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.394 -3.363 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 57 9.214 -2.188 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.674 -2.283 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.106 -1.111 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.722 -2.699 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.338 -4.293 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.334 -4.787 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.796 -4.588 -5.186 1.00 0.00 H new ATOM 798 N ASP A 58 5.597 -2.547 -1.886 1.00 0.00 N ATOM 799 CA ASP A 58 4.916 -2.490 -0.597 1.00 0.00 C ATOM 800 C ASP A 58 3.841 -3.568 -0.502 1.00 0.00 C ATOM 801 O ASP A 58 2.974 -3.675 -1.371 1.00 0.00 O ATOM 802 CB ASP A 58 4.292 -1.110 -0.387 1.00 0.00 C ATOM 803 CG ASP A 58 5.335 -0.018 -0.247 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.531 -0.310 -0.456 1.00 0.00 O ATOM 805 OD2 ASP A 58 4.954 1.128 0.070 1.00 0.00 O ATOM 0 H ASP A 58 4.975 -2.505 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 58 5.654 -2.669 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.638 -0.878 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.668 -1.129 0.506 1.00 0.00 H new ATOM 810 N THR A 59 3.904 -4.368 0.559 1.00 0.00 N ATOM 811 CA THR A 59 2.937 -5.439 0.766 1.00 0.00 C ATOM 812 C THR A 59 1.618 -4.893 1.299 1.00 0.00 C ATOM 813 O THR A 59 1.564 -4.327 2.391 1.00 0.00 O ATOM 814 CB THR A 59 3.475 -6.498 1.747 1.00 0.00 C ATOM 815 OG1 THR A 59 4.851 -6.774 1.463 1.00 0.00 O ATOM 816 CG2 THR A 59 2.666 -7.783 1.653 1.00 0.00 C ATOM 0 H THR A 59 4.614 -4.294 1.287 1.00 0.00 H new ATOM 0 HA THR A 59 2.768 -5.905 -0.205 1.00 0.00 H new ATOM 0 HB THR A 59 3.385 -6.103 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.186 -7.447 2.092 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.064 -8.516 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.624 -7.576 1.897 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.729 -8.179 0.640 1.00 0.00 H new ATOM 824 N VAL A 60 0.553 -5.068 0.522 1.00 0.00 N ATOM 825 CA VAL A 60 -0.768 -4.595 0.917 1.00 0.00 C ATOM 826 C VAL A 60 -1.273 -5.339 2.148 1.00 0.00 C ATOM 827 O VAL A 60 -1.417 -6.562 2.132 1.00 0.00 O ATOM 828 CB VAL A 60 -1.788 -4.761 -0.225 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.117 -4.121 0.149 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.245 -4.167 -1.515 1.00 0.00 C ATOM 0 H VAL A 60 0.580 -5.534 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.668 -3.536 1.153 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.957 -5.826 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.825 -4.248 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.511 -4.598 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.968 -3.058 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.979 -4.293 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.045 -3.105 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.321 -4.676 -1.789 1.00 0.00 H new ATOM 840 N LEU A 61 -1.541 -4.594 3.214 1.00 0.00 N ATOM 841 CA LEU A 61 -2.032 -5.183 4.456 1.00 0.00 C ATOM 842 C LEU A 61 -3.556 -5.167 4.500 1.00 0.00 C ATOM 843 O LEU A 61 -4.197 -6.218 4.513 1.00 0.00 O ATOM 844 CB LEU A 61 -1.467 -4.427 5.660 1.00 0.00 C ATOM 845 CG LEU A 61 0.035 -4.576 5.901 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.483 -3.683 7.048 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.388 -6.029 6.185 1.00 0.00 C ATOM 0 H LEU A 61 -1.427 -3.581 3.244 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.697 -6.219 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.692 -3.368 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.993 -4.762 6.554 1.00 0.00 H new ATOM 0 HG LEU A 61 0.561 -4.265 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.555 -3.803 7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.266 -2.643 6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.050 -3.963 7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.461 -6.116 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.148 -6.367 7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.104 -6.646 5.332 1.00 0.00 H new ATOM 859 N GLN A 62 -4.131 -3.969 4.522 1.00 0.00 N ATOM 860 CA GLN A 62 -5.580 -3.817 4.564 1.00 0.00 C ATOM 861 C GLN A 62 -6.027 -2.620 3.731 1.00 0.00 C ATOM 862 O GLN A 62 -5.293 -1.641 3.589 1.00 0.00 O ATOM 863 CB GLN A 62 -6.056 -3.654 6.009 1.00 0.00 C ATOM 864 CG GLN A 62 -5.726 -2.297 6.608 1.00 0.00 C ATOM 865 CD GLN A 62 -6.040 -2.222 8.089 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.221 -1.764 8.887 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.231 -2.672 8.466 1.00 0.00 N ATOM 0 H GLN A 62 -3.615 -3.089 4.511 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.026 -4.717 4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.135 -3.806 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.603 -4.433 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.668 -2.083 6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.288 -1.525 6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.879 -3.043 7.771 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.498 -2.646 9.450 1.00 0.00 H new ATOM 876 N LEU A 63 -7.233 -2.705 3.182 1.00 0.00 N ATOM 877 CA LEU A 63 -7.778 -1.628 2.362 1.00 0.00 C ATOM 878 C LEU A 63 -9.123 -1.157 2.906 1.00 0.00 C ATOM 879 O LEU A 63 -9.930 -1.960 3.373 1.00 0.00 O ATOM 880 CB LEU A 63 -7.935 -2.094 0.913 1.00 0.00 C ATOM 881 CG LEU A 63 -8.127 -0.991 -0.129 1.00 0.00 C ATOM 882 CD1 LEU A 63 -6.783 -0.535 -0.676 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.028 -1.473 -1.256 1.00 0.00 C ATOM 0 H LEU A 63 -7.853 -3.508 3.289 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.081 -0.791 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.053 -2.674 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.789 -2.769 0.860 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.607 -0.140 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.939 0.250 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.171 -0.149 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.275 -1.379 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.153 -0.675 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.576 -2.340 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.001 -1.750 -0.851 1.00 0.00 H new ATOM 895 N ASN A 64 -9.358 0.149 2.839 1.00 0.00 N ATOM 896 CA ASN A 64 -10.606 0.727 3.324 1.00 0.00 C ATOM 897 C ASN A 64 -11.022 0.093 4.648 1.00 0.00 C ATOM 898 O ASN A 64 -12.198 -0.192 4.868 1.00 0.00 O ATOM 899 CB ASN A 64 -11.715 0.541 2.286 1.00 0.00 C ATOM 900 CG ASN A 64 -11.225 0.767 0.869 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.620 0.058 -0.057 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.359 1.758 0.694 1.00 0.00 N ATOM 0 H ASN A 64 -8.701 0.827 2.454 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.444 1.793 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.122 -0.467 2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.529 1.233 2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.993 1.957 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.059 2.320 1.491 1.00 0.00 H new ATOM 909 N GLU A 65 -10.047 -0.124 5.525 1.00 0.00 N ATOM 910 CA GLU A 65 -10.312 -0.724 6.827 1.00 0.00 C ATOM 911 C GLU A 65 -10.813 -2.158 6.674 1.00 0.00 C ATOM 912 O GLU A 65 -11.654 -2.618 7.445 1.00 0.00 O ATOM 913 CB GLU A 65 -11.341 0.107 7.597 1.00 0.00 C ATOM 914 CG GLU A 65 -10.922 1.553 7.806 1.00 0.00 C ATOM 915 CD GLU A 65 -12.083 2.446 8.196 1.00 0.00 C ATOM 916 OE1 GLU A 65 -12.637 2.250 9.298 1.00 0.00 O ATOM 917 OE2 GLU A 65 -12.438 3.341 7.400 1.00 0.00 O ATOM 0 H GLU A 65 -9.068 0.106 5.358 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.377 -0.741 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.289 0.086 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.516 -0.356 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.158 1.597 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.469 1.932 6.890 1.00 0.00 H new ATOM 924 N ARG A 66 -10.289 -2.857 5.673 1.00 0.00 N ATOM 925 CA ARG A 66 -10.683 -4.237 5.416 1.00 0.00 C ATOM 926 C ARG A 66 -9.458 -5.120 5.197 1.00 0.00 C ATOM 927 O ARG A 66 -8.475 -4.718 4.575 1.00 0.00 O ATOM 928 CB ARG A 66 -11.602 -4.309 4.195 1.00 0.00 C ATOM 929 CG ARG A 66 -12.933 -3.602 4.392 1.00 0.00 C ATOM 930 CD ARG A 66 -13.743 -3.570 3.106 1.00 0.00 C ATOM 931 NE ARG A 66 -15.014 -2.872 3.276 1.00 0.00 N ATOM 932 CZ ARG A 66 -16.069 -3.063 2.491 1.00 0.00 C ATOM 933 NH1 ARG A 66 -16.004 -3.926 1.487 1.00 0.00 N ATOM 934 NH2 ARG A 66 -17.191 -2.390 2.710 1.00 0.00 N ATOM 0 H ARG A 66 -9.590 -2.490 5.026 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.222 -4.603 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.090 -3.869 3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.788 -5.355 3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.504 -4.109 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.757 -2.583 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.162 -3.080 2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.932 -4.590 2.771 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.097 -2.201 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.143 -4.445 1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.815 -4.071 0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.245 -1.725 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.000 -2.537 2.107 1.00 0.00 H new ATOM 948 N PRO A 67 -9.517 -6.354 5.720 1.00 0.00 N ATOM 949 CA PRO A 67 -8.421 -7.320 5.595 1.00 0.00 C ATOM 950 C PRO A 67 -8.257 -7.828 4.167 1.00 0.00 C ATOM 951 O PRO A 67 -9.094 -8.577 3.663 1.00 0.00 O ATOM 952 CB PRO A 67 -8.847 -8.461 6.523 1.00 0.00 C ATOM 953 CG PRO A 67 -10.332 -8.365 6.585 1.00 0.00 C ATOM 954 CD PRO A 67 -10.657 -6.901 6.474 1.00 0.00 C ATOM 0 HA PRO A 67 -7.458 -6.880 5.852 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.529 -9.428 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.402 -8.354 7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.794 -8.930 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.711 -8.779 7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.600 -6.737 5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.751 -6.435 7.455 1.00 0.00 H new ATOM 962 N VAL A 68 -7.173 -7.415 3.518 1.00 0.00 N ATOM 963 CA VAL A 68 -6.898 -7.830 2.147 1.00 0.00 C ATOM 964 C VAL A 68 -5.645 -8.695 2.076 1.00 0.00 C ATOM 965 O VAL A 68 -5.144 -8.991 0.992 1.00 0.00 O ATOM 966 CB VAL A 68 -6.722 -6.614 1.218 1.00 0.00 C ATOM 967 CG1 VAL A 68 -7.935 -5.700 1.300 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.449 -5.858 1.565 1.00 0.00 C ATOM 0 H VAL A 68 -6.471 -6.793 3.919 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.757 -8.412 1.813 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.636 -6.972 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.793 -4.846 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.826 -6.250 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.056 -5.348 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.341 -5.002 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.502 -5.510 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.590 -6.519 1.449 1.00 0.00 H new ATOM 978 N GLU A 69 -5.144 -9.099 3.239 1.00 0.00 N ATOM 979 CA GLU A 69 -3.948 -9.931 3.308 1.00 0.00 C ATOM 980 C GLU A 69 -4.161 -11.251 2.573 1.00 0.00 C ATOM 981 O GLU A 69 -3.214 -12.000 2.332 1.00 0.00 O ATOM 982 CB GLU A 69 -3.571 -10.201 4.766 1.00 0.00 C ATOM 983 CG GLU A 69 -3.475 -8.943 5.613 1.00 0.00 C ATOM 984 CD GLU A 69 -4.793 -8.580 6.269 1.00 0.00 C ATOM 985 OE1 GLU A 69 -5.581 -9.502 6.570 1.00 0.00 O ATOM 986 OE2 GLU A 69 -5.037 -7.374 6.482 1.00 0.00 O ATOM 0 H GLU A 69 -5.547 -8.864 4.146 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.133 -9.393 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.311 -10.869 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.614 -10.722 4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.717 -9.085 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.143 -8.113 4.989 1.00 0.00 H new ATOM 993 N HIS A 70 -5.412 -11.530 2.221 1.00 0.00 N ATOM 994 CA HIS A 70 -5.751 -12.760 1.513 1.00 0.00 C ATOM 995 C HIS A 70 -6.471 -12.453 0.203 1.00 0.00 C ATOM 996 O HIS A 70 -7.159 -13.308 -0.353 1.00 0.00 O ATOM 997 CB HIS A 70 -6.626 -13.654 2.392 1.00 0.00 C ATOM 998 CG HIS A 70 -7.005 -14.948 1.740 1.00 0.00 C ATOM 999 ND1 HIS A 70 -8.220 -15.566 1.944 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -6.321 -15.741 0.882 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -8.267 -16.684 1.241 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -7.127 -16.813 0.587 1.00 0.00 N ATOM 0 H HIS A 70 -6.208 -10.922 2.414 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.824 -13.285 1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.097 -13.866 3.321 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.533 -13.112 2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.326 -15.564 0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.097 -17.375 1.207 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.885 -17.583 -0.036 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.307 -11.227 -0.282 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.942 -10.807 -1.526 1.00 0.00 C ATOM 1013 C TRP A 71 -5.971 -10.914 -2.696 1.00 0.00 C ATOM 1014 O TRP A 71 -4.764 -10.733 -2.533 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.455 -9.372 -1.402 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.674 -9.249 -0.538 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.110 -10.145 0.396 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.615 -8.170 -0.532 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.265 -9.687 0.983 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.595 -8.477 0.432 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.723 -6.973 -1.245 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.668 -7.631 0.698 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.789 -6.134 -0.980 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.749 -6.465 -0.015 1.00 0.00 C ATOM 0 H TRP A 71 -5.740 -10.507 0.167 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.785 -11.471 -1.716 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.663 -8.745 -0.992 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.683 -8.988 -2.396 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.619 -11.076 0.638 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.791 -10.170 1.711 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.987 -6.708 -1.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.410 -7.885 1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.883 -5.207 -1.526 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.569 -5.787 0.170 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.503 -11.208 -3.877 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.684 -11.337 -5.076 1.00 0.00 C ATOM 1037 C LYS A 72 -5.729 -10.058 -5.906 1.00 0.00 C ATOM 1038 O LYS A 72 -6.315 -9.057 -5.491 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.160 -12.522 -5.920 1.00 0.00 C ATOM 1040 CG LYS A 72 -6.010 -13.863 -5.223 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.951 -15.007 -6.222 1.00 0.00 C ATOM 1042 CE LYS A 72 -6.261 -16.341 -5.561 1.00 0.00 C ATOM 1043 NZ LYS A 72 -6.867 -17.307 -6.519 1.00 0.00 N ATOM 0 H LYS A 72 -7.500 -11.362 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.654 -11.511 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.207 -12.373 -6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.597 -12.542 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.104 -13.860 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.847 -14.016 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.662 -14.825 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.960 -15.046 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.345 -16.764 -5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.942 -16.183 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.064 -18.204 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.755 -16.915 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.207 -17.478 -7.304 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.109 -10.098 -7.080 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.079 -8.942 -7.969 1.00 0.00 C ATOM 1059 C CYS A 73 -6.483 -8.589 -8.450 1.00 0.00 C ATOM 1060 O CYS A 73 -6.889 -7.427 -8.415 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.170 -9.217 -9.168 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.718 -10.591 -10.208 1.00 0.00 S ATOM 0 H CYS A 73 -4.620 -10.918 -7.439 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.683 -8.095 -7.409 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.108 -8.316 -9.778 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.163 -9.427 -8.807 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.888 -10.745 -11.196 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.220 -9.599 -8.900 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.578 -9.396 -9.389 1.00 0.00 C ATOM 1070 C VAL A 74 -9.521 -9.020 -8.251 1.00 0.00 C ATOM 1071 O VAL A 74 -10.350 -8.121 -8.392 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.117 -10.657 -10.091 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.333 -10.936 -11.364 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -9.065 -11.853 -9.151 1.00 0.00 C ATOM 0 H VAL A 74 -6.899 -10.567 -8.936 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.536 -8.578 -10.109 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.158 -10.483 -10.364 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.728 -11.830 -11.846 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.426 -10.087 -12.042 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.282 -11.091 -11.118 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.449 -12.735 -9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.034 -12.031 -8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.674 -11.650 -8.270 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.387 -9.713 -7.125 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.228 -9.450 -5.963 1.00 0.00 C ATOM 1086 C GLU A 75 -9.920 -8.079 -5.367 1.00 0.00 C ATOM 1087 O GLU A 75 -10.815 -7.386 -4.882 1.00 0.00 O ATOM 1088 CB GLU A 75 -10.025 -10.536 -4.904 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.944 -11.733 -5.076 1.00 0.00 C ATOM 1090 CD GLU A 75 -12.392 -11.408 -4.764 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -13.101 -10.929 -5.673 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -12.815 -11.632 -3.611 1.00 0.00 O ATOM 0 H GLU A 75 -8.705 -10.460 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.268 -9.459 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.990 -10.876 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.187 -10.104 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.870 -12.098 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.608 -12.540 -4.425 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.649 -7.695 -5.407 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.222 -6.407 -4.871 1.00 0.00 C ATOM 1101 C LEU A 76 -8.646 -5.267 -5.791 1.00 0.00 C ATOM 1102 O LEU A 76 -9.281 -4.308 -5.354 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.704 -6.389 -4.685 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.116 -5.109 -4.089 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.078 -4.499 -3.081 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -4.769 -5.393 -3.440 1.00 0.00 C ATOM 0 H LEU A 76 -7.896 -8.257 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.703 -6.266 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.427 -7.225 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.237 -6.562 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.964 -4.391 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.643 -3.589 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.019 -4.259 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.262 -5.211 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.365 -4.471 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.896 -6.128 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.080 -5.784 -4.188 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.293 -5.380 -7.067 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.642 -4.361 -8.049 1.00 0.00 C ATOM 1120 C ALA A 77 -10.111 -3.969 -7.936 1.00 0.00 C ATOM 1121 O ALA A 77 -10.477 -2.817 -8.172 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.332 -4.854 -9.455 1.00 0.00 C ATOM 0 H ALA A 77 -7.766 -6.167 -7.445 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.040 -3.475 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.598 -4.083 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.268 -5.076 -9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.908 -5.757 -9.659 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.950 -4.934 -7.575 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.381 -4.690 -7.431 1.00 0.00 C ATOM 1130 C HIS A 78 -12.637 -3.462 -6.562 1.00 0.00 C ATOM 1131 O HIS A 78 -13.593 -2.720 -6.787 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.070 -5.912 -6.823 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.553 -5.928 -7.030 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.195 -6.871 -7.804 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.522 -5.109 -6.558 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.494 -6.631 -7.801 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.719 -5.568 -7.051 1.00 0.00 N ATOM 0 H HIS A 78 -10.664 -5.893 -7.377 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.795 -4.505 -8.422 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.641 -6.815 -7.258 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.860 -5.943 -5.754 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.380 -4.254 -5.914 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.244 -7.206 -8.323 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.633 -5.155 -6.867 1.00 0.00 H new ATOM 1146 N GLU A 79 -11.778 -3.255 -5.570 1.00 0.00 N ATOM 1147 CA GLU A 79 -11.913 -2.118 -4.667 1.00 0.00 C ATOM 1148 C GLU A 79 -11.348 -0.850 -5.301 1.00 0.00 C ATOM 1149 O GLU A 79 -12.089 0.080 -5.621 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.200 -2.401 -3.343 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.010 -3.261 -2.388 1.00 0.00 C ATOM 1152 CD GLU A 79 -13.406 -2.718 -2.154 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -13.525 -1.555 -1.716 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.380 -3.457 -2.410 1.00 0.00 O ATOM 0 H GLU A 79 -10.981 -3.860 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.975 -1.965 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.251 -2.897 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.966 -1.454 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.080 -4.273 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.487 -3.330 -1.434 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.031 -0.820 -5.477 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.366 0.332 -6.073 1.00 0.00 C ATOM 1163 C ILE A 80 -10.268 1.023 -7.090 1.00 0.00 C ATOM 1164 O ILE A 80 -10.546 2.217 -6.979 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.049 -0.071 -6.762 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.454 -1.309 -6.087 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.060 1.084 -6.730 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -7.297 -1.165 -4.590 1.00 0.00 C ATOM 0 H ILE A 80 -9.404 -1.580 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.144 1.023 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.260 -0.314 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.091 -2.168 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.480 -1.520 -6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.134 0.784 -7.221 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.485 1.942 -7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.851 1.355 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.870 -2.080 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.636 -0.326 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.272 -0.985 -4.138 1.00 0.00 H new ATOM 1180 N ARG A 81 -10.725 0.262 -8.080 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.597 0.800 -9.117 1.00 0.00 C ATOM 1182 C ARG A 81 -12.937 1.233 -8.529 1.00 0.00 C ATOM 1183 O ARG A 81 -13.490 2.265 -8.912 1.00 0.00 O ATOM 1184 CB ARG A 81 -11.822 -0.241 -10.215 1.00 0.00 C ATOM 1185 CG ARG A 81 -10.565 -0.579 -11.000 1.00 0.00 C ATOM 1186 CD ARG A 81 -10.148 0.570 -11.905 1.00 0.00 C ATOM 1187 NE ARG A 81 -9.422 0.104 -13.083 1.00 0.00 N ATOM 1188 CZ ARG A 81 -8.167 -0.331 -13.048 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -7.503 -0.359 -11.901 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -7.574 -0.740 -14.163 1.00 0.00 N ATOM 0 H ARG A 81 -10.506 -0.729 -8.185 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.110 1.674 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.215 -1.152 -9.765 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.582 0.128 -10.904 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.755 -0.812 -10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.739 -1.472 -11.600 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.033 1.123 -12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.522 1.264 -11.344 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.904 0.113 -13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.955 -0.046 -11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.540 -0.694 -11.877 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.082 -0.720 -15.047 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.611 -1.074 -14.135 1.00 0.00 H new ATOM 1204 N SER A 82 -13.454 0.438 -7.598 1.00 0.00 N ATOM 1205 CA SER A 82 -14.731 0.737 -6.961 1.00 0.00 C ATOM 1206 C SER A 82 -14.884 2.237 -6.726 1.00 0.00 C ATOM 1207 O SER A 82 -15.894 2.835 -7.098 1.00 0.00 O ATOM 1208 CB SER A 82 -14.851 -0.014 -5.633 1.00 0.00 C ATOM 1209 OG SER A 82 -16.208 -0.259 -5.306 1.00 0.00 O ATOM 0 H SER A 82 -13.008 -0.418 -7.268 1.00 0.00 H new ATOM 0 HA SER A 82 -15.527 0.409 -7.629 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.313 -0.960 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.382 0.567 -4.839 1.00 0.00 H new ATOM 0 HG SER A 82 -16.257 -0.741 -4.454 1.00 0.00 H new ATOM 1215 N CYS A 83 -13.874 2.837 -6.106 1.00 0.00 N ATOM 1216 CA CYS A 83 -13.895 4.267 -5.820 1.00 0.00 C ATOM 1217 C CYS A 83 -12.897 5.012 -6.700 1.00 0.00 C ATOM 1218 O CYS A 83 -11.693 5.029 -6.439 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.579 4.518 -4.344 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.988 4.279 -3.237 1.00 0.00 S ATOM 0 H CYS A 83 -13.031 2.356 -5.792 1.00 0.00 H new ATOM 0 HA CYS A 83 -14.895 4.642 -6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.773 3.852 -4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.210 5.537 -4.231 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.622 4.512 -2.012 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.405 5.643 -7.769 1.00 0.00 N ATOM 1227 CA PRO A 84 -12.575 6.400 -8.710 1.00 0.00 C ATOM 1228 C PRO A 84 -12.023 7.682 -8.095 1.00 0.00 C ATOM 1229 O PRO A 84 -10.876 8.055 -8.339 1.00 0.00 O ATOM 1230 CB PRO A 84 -13.542 6.728 -9.851 1.00 0.00 C ATOM 1231 CG PRO A 84 -14.892 6.709 -9.221 1.00 0.00 C ATOM 1232 CD PRO A 84 -14.830 5.665 -8.141 1.00 0.00 C ATOM 0 HA PRO A 84 -11.698 5.835 -9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.323 7.702 -10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.470 5.995 -10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.143 7.685 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.661 6.467 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.463 5.926 -7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.166 4.693 -8.502 1.00 0.00 H new ATOM 1240 N SER A 85 -12.847 8.351 -7.295 1.00 0.00 N ATOM 1241 CA SER A 85 -12.442 9.593 -6.647 1.00 0.00 C ATOM 1242 C SER A 85 -11.141 9.403 -5.873 1.00 0.00 C ATOM 1243 O SER A 85 -10.092 9.913 -6.266 1.00 0.00 O ATOM 1244 CB SER A 85 -13.542 10.084 -5.704 1.00 0.00 C ATOM 1245 OG SER A 85 -13.444 11.481 -5.489 1.00 0.00 O ATOM 0 H SER A 85 -13.799 8.054 -7.080 1.00 0.00 H new ATOM 0 HA SER A 85 -12.278 10.341 -7.423 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.519 9.845 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.469 9.560 -4.751 1.00 0.00 H new ATOM 0 HG SER A 85 -14.159 11.770 -4.884 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.219 8.665 -4.770 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.048 8.408 -3.939 1.00 0.00 C ATOM 1253 C GLU A 86 -10.163 7.056 -3.240 1.00 0.00 C ATOM 1254 O GLU A 86 -11.265 6.565 -2.994 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.877 9.519 -2.901 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.795 9.231 -1.874 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.326 8.496 -0.658 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -10.059 9.119 0.138 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -9.008 7.298 -0.503 1.00 0.00 O ATOM 0 H GLU A 86 -12.080 8.235 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.172 8.389 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.640 10.451 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.825 9.671 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.008 8.637 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.341 10.170 -1.557 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.018 6.461 -2.923 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.990 5.168 -2.252 1.00 0.00 C ATOM 1268 C ILE A 87 -7.880 5.114 -1.208 1.00 0.00 C ATOM 1269 O ILE A 87 -6.838 5.750 -1.363 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.792 4.017 -3.256 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.401 4.098 -3.890 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.871 4.056 -4.328 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.344 3.332 -3.126 1.00 0.00 C ATOM 0 H ILE A 87 -8.098 6.854 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.955 5.047 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.873 3.071 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.452 3.714 -4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.102 5.144 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.717 3.236 -5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.851 3.955 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.819 5.005 -4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.384 3.433 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.265 3.731 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.620 2.279 -3.080 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.111 4.348 -0.147 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.129 4.209 0.921 1.00 0.00 C ATOM 1287 C ILE A 88 -6.559 2.795 0.964 1.00 0.00 C ATOM 1288 O ILE A 88 -7.299 1.813 0.886 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.739 4.546 2.295 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.383 5.933 2.264 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.675 4.473 3.379 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.184 6.255 3.507 1.00 0.00 C ATOM 0 H ILE A 88 -8.969 3.815 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.327 4.915 0.705 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.512 3.812 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.603 6.684 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.035 6.003 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.121 4.714 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.259 3.466 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.881 5.187 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.612 7.253 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.986 5.526 3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.532 6.218 4.380 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.240 2.698 1.088 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.570 1.403 1.143 1.00 0.00 C ATOM 1306 C LEU A 89 -3.430 1.423 2.156 1.00 0.00 C ATOM 1307 O LEU A 89 -2.631 2.360 2.189 1.00 0.00 O ATOM 1308 CB LEU A 89 -4.034 1.025 -0.239 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.998 1.975 -0.840 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.113 1.240 -1.834 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.683 3.159 -1.507 1.00 0.00 C ATOM 0 H LEU A 89 -4.613 3.500 1.152 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.299 0.657 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.592 0.031 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.877 0.956 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.369 2.352 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.382 1.932 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.594 0.426 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.728 0.834 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.930 3.825 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.337 2.800 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.273 3.701 -0.768 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.358 0.382 2.978 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.313 0.278 3.991 1.00 0.00 C ATOM 1325 C LEU A 90 -1.274 -0.767 3.596 1.00 0.00 C ATOM 1326 O LEU A 90 -1.611 -1.817 3.049 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.923 -0.081 5.347 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.932 -0.371 6.474 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.539 0.915 7.184 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.522 -1.368 7.460 1.00 0.00 C ATOM 0 H LEU A 90 -4.010 -0.402 2.963 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.818 1.246 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.569 0.739 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.560 -0.956 5.216 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.034 -0.810 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.833 0.688 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.074 1.596 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.428 1.383 7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.802 -1.562 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.436 -0.957 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.751 -2.299 6.942 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.009 -0.472 3.879 1.00 0.00 N ATOM 1343 CA VAL A 91 1.079 -1.387 3.556 1.00 0.00 C ATOM 1344 C VAL A 91 2.153 -1.368 4.639 1.00 0.00 C ATOM 1345 O VAL A 91 2.148 -0.504 5.516 1.00 0.00 O ATOM 1346 CB VAL A 91 1.725 -1.037 2.203 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.713 -1.181 1.076 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.301 0.370 2.236 1.00 0.00 C ATOM 0 H VAL A 91 0.287 0.393 4.331 1.00 0.00 H new ATOM 0 HA VAL A 91 0.645 -2.385 3.495 1.00 0.00 H new ATOM 0 HB VAL A 91 2.542 -1.735 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.187 -0.930 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.352 -2.209 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.126 -0.508 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.754 0.601 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.504 1.085 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.059 0.435 3.017 1.00 0.00 H new ATOM 1358 N TRP A 92 3.072 -2.324 4.570 1.00 0.00 N ATOM 1359 CA TRP A 92 4.153 -2.417 5.545 1.00 0.00 C ATOM 1360 C TRP A 92 5.482 -2.004 4.924 1.00 0.00 C ATOM 1361 O TRP A 92 5.897 -2.552 3.902 1.00 0.00 O ATOM 1362 CB TRP A 92 4.252 -3.841 6.094 1.00 0.00 C ATOM 1363 CG TRP A 92 5.526 -4.103 6.838 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.727 -4.470 6.303 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.724 -4.021 8.254 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.660 -4.620 7.300 1.00 0.00 N ATOM 1367 CE2 TRP A 92 7.070 -4.350 8.506 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.896 -3.699 9.333 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.603 -4.367 9.792 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.426 -3.717 10.608 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.770 -4.048 10.829 1.00 0.00 C ATOM 0 H TRP A 92 3.091 -3.046 3.849 1.00 0.00 H new ATOM 0 HA TRP A 92 3.929 -1.735 6.365 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.407 -4.027 6.758 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.170 -4.548 5.268 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.916 -4.620 5.250 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.634 -4.889 7.164 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.860 -3.441 9.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.638 -4.623 9.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.794 -3.472 11.449 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.155 -4.051 11.838 1.00 0.00 H new ATOM 1382 N ARG A 93 6.147 -1.036 5.547 1.00 0.00 N ATOM 1383 CA ARG A 93 7.430 -0.551 5.053 1.00 0.00 C ATOM 1384 C ARG A 93 8.523 -0.741 6.101 1.00 0.00 C ATOM 1385 O ARG A 93 8.261 -0.689 7.303 1.00 0.00 O ATOM 1386 CB ARG A 93 7.327 0.927 4.671 1.00 0.00 C ATOM 1387 CG ARG A 93 8.494 1.422 3.832 1.00 0.00 C ATOM 1388 CD ARG A 93 8.282 2.856 3.373 1.00 0.00 C ATOM 1389 NE ARG A 93 7.328 2.942 2.270 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.696 4.060 1.931 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.915 5.180 2.606 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.842 4.060 0.916 1.00 0.00 N ATOM 0 H ARG A 93 5.819 -0.573 6.394 1.00 0.00 H new ATOM 0 HA ARG A 93 7.694 -1.131 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.400 1.087 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.265 1.525 5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.414 1.357 4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.619 0.776 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.924 3.455 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.236 3.282 3.061 1.00 0.00 H new ATOM 0 HE ARG A 93 7.137 2.098 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.570 5.184 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.428 6.037 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.670 3.201 0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.358 4.919 0.657 1.00 0.00 H new ATOM 1406 N VAL A 94 9.749 -0.962 5.637 1.00 0.00 N ATOM 1407 CA VAL A 94 10.882 -1.159 6.533 1.00 0.00 C ATOM 1408 C VAL A 94 11.948 -0.092 6.314 1.00 0.00 C ATOM 1409 O VAL A 94 12.671 -0.117 5.318 1.00 0.00 O ATOM 1410 CB VAL A 94 11.515 -2.550 6.339 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.709 -2.726 7.264 1.00 0.00 C ATOM 1412 CG2 VAL A 94 10.483 -3.642 6.574 1.00 0.00 C ATOM 0 H VAL A 94 9.983 -1.009 4.645 1.00 0.00 H new ATOM 0 HA VAL A 94 10.499 -1.081 7.550 1.00 0.00 H new ATOM 0 HB VAL A 94 11.867 -2.630 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.143 -3.714 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.456 -1.964 7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.385 -2.627 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.947 -4.618 6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.099 -3.567 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.662 -3.525 5.867 1.00 0.00 H new