USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 404 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 33 THR OG1 : rot 90:sc= 0.376 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -121:sc= 0.0573 (180deg=0) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 28 THR OG1 : rot -150:sc= -0.457 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 31:sc= 0.209 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 80:sc=-0.00225 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 25 GLN : amide:sc= 0.0878 X(o=0.088,f=-0.32) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 MET CE :methyl -149:sc= -1.87 (180deg=-6.84!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 135 N THR A 7 -4.907 10.444 3.020 1.00 0.00 N ATOM 136 CA THR A 7 -3.539 10.622 2.433 1.00 0.00 C ATOM 137 C THR A 7 -2.361 10.764 3.459 1.00 0.00 C ATOM 138 O THR A 7 -1.241 11.110 3.067 1.00 0.00 O ATOM 139 CB THR A 7 -3.529 11.815 1.413 1.00 0.00 C ATOM 140 OG1 THR A 7 -3.673 13.054 2.104 1.00 0.00 O ATOM 141 CG2 THR A 7 -4.578 11.803 0.284 1.00 0.00 C ATOM 0 HA THR A 7 -3.339 9.679 1.923 1.00 0.00 H new ATOM 0 HB THR A 7 -2.564 11.691 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.664 13.791 1.459 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.450 12.687 -0.341 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.448 10.907 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.578 11.806 0.717 1.00 0.00 H new ATOM 149 N SER A 8 -2.604 10.463 4.743 1.00 0.00 N ATOM 150 CA SER A 8 -1.573 10.471 5.813 1.00 0.00 C ATOM 151 C SER A 8 -1.259 8.992 6.106 1.00 0.00 C ATOM 152 O SER A 8 -2.092 8.250 6.637 1.00 0.00 O ATOM 153 CB SER A 8 -2.012 11.243 7.071 1.00 0.00 C ATOM 154 OG SER A 8 -3.239 10.767 7.620 1.00 0.00 O ATOM 0 H SER A 8 -3.531 10.203 5.081 1.00 0.00 H new ATOM 0 HA SER A 8 -0.682 11.005 5.483 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.230 11.169 7.827 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.117 12.299 6.823 1.00 0.00 H new ATOM 0 HG SER A 8 -3.328 9.808 7.438 1.00 0.00 H new ATOM 160 N ILE A 9 -0.040 8.582 5.739 1.00 0.00 N ATOM 161 CA ILE A 9 0.386 7.168 5.795 1.00 0.00 C ATOM 162 C ILE A 9 1.188 7.025 7.126 1.00 0.00 C ATOM 163 O ILE A 9 2.383 7.337 7.175 1.00 0.00 O ATOM 164 CB ILE A 9 1.146 6.760 4.472 1.00 0.00 C ATOM 165 CG1 ILE A 9 0.829 7.533 3.152 1.00 0.00 C ATOM 166 CG2 ILE A 9 0.897 5.259 4.193 1.00 0.00 C ATOM 167 CD1 ILE A 9 1.684 7.226 1.911 1.00 0.00 C ATOM 0 H ILE A 9 0.682 9.215 5.395 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.441 6.458 5.821 1.00 0.00 H new ATOM 0 HB ILE A 9 2.178 7.025 4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.213 7.341 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.915 8.599 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.418 4.967 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.269 4.667 5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.172 5.084 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.346 7.839 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.729 7.449 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.584 6.172 1.652 1.00 0.00 H new ATOM 179 N GLU A 10 0.502 6.598 8.208 1.00 0.00 N ATOM 180 CA GLU A 10 1.077 6.557 9.581 1.00 0.00 C ATOM 181 C GLU A 10 1.407 5.072 9.911 1.00 0.00 C ATOM 182 O GLU A 10 2.324 4.530 9.289 1.00 0.00 O ATOM 183 CB GLU A 10 0.100 7.319 10.533 1.00 0.00 C ATOM 184 CG GLU A 10 -0.056 8.837 10.269 1.00 0.00 C ATOM 185 CD GLU A 10 -1.195 9.463 11.077 1.00 0.00 C ATOM 186 OE1 GLU A 10 -1.029 10.034 12.154 1.00 0.00 O ATOM 187 OE2 GLU A 10 -2.411 9.310 10.460 1.00 0.00 O ATOM 0 H GLU A 10 -0.463 6.272 8.161 1.00 0.00 H new ATOM 0 HA GLU A 10 2.027 7.078 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.883 6.854 10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.442 7.182 11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.878 9.342 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.237 9.000 9.207 1.00 0.00 H new ATOM 195 N THR A 11 0.791 4.454 10.940 1.00 0.00 N ATOM 196 CA THR A 11 0.916 2.992 11.218 1.00 0.00 C ATOM 197 C THR A 11 -0.148 2.157 10.476 1.00 0.00 C ATOM 198 O THR A 11 0.178 1.503 9.489 1.00 0.00 O ATOM 199 CB THR A 11 1.210 2.574 12.692 1.00 0.00 C ATOM 200 OG1 THR A 11 1.125 1.158 12.847 1.00 0.00 O ATOM 201 CG2 THR A 11 0.331 3.225 13.770 1.00 0.00 C ATOM 0 H THR A 11 0.193 4.945 11.605 1.00 0.00 H new ATOM 0 HA THR A 11 1.868 2.716 10.766 1.00 0.00 H new ATOM 0 HB THR A 11 2.222 2.945 12.858 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.315 0.919 13.778 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.628 2.858 14.752 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.454 4.307 13.735 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.714 2.972 13.589 1.00 0.00 H new ATOM 209 N ASN A 12 -1.402 2.176 10.953 1.00 0.00 N ATOM 210 CA ASN A 12 -2.470 1.260 10.468 1.00 0.00 C ATOM 211 C ASN A 12 -2.785 1.184 8.942 1.00 0.00 C ATOM 212 O ASN A 12 -3.108 0.083 8.483 1.00 0.00 O ATOM 213 CB ASN A 12 -3.725 1.393 11.366 1.00 0.00 C ATOM 214 CG ASN A 12 -4.606 2.647 11.167 1.00 0.00 C ATOM 215 OD1 ASN A 12 -4.225 3.761 11.527 1.00 0.00 O ATOM 216 ND2 ASN A 12 -5.790 2.491 10.595 1.00 0.00 N ATOM 0 H ASN A 12 -1.713 2.819 11.681 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.024 0.272 10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.349 0.513 11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.400 1.370 12.406 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.396 3.298 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.096 1.564 10.300 1.00 0.00 H new ATOM 223 N ILE A 13 -2.700 2.289 8.162 1.00 0.00 N ATOM 224 CA ILE A 13 -2.795 2.202 6.673 1.00 0.00 C ATOM 225 C ILE A 13 -1.446 1.673 6.066 1.00 0.00 C ATOM 226 O ILE A 13 -1.480 0.724 5.290 1.00 0.00 O ATOM 227 CB ILE A 13 -3.418 3.464 5.974 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.386 3.049 4.868 1.00 0.00 C ATOM 229 CG2 ILE A 13 -2.393 4.467 5.409 1.00 0.00 C ATOM 230 CD1 ILE A 13 -5.188 4.226 4.343 1.00 0.00 C ATOM 0 H ILE A 13 -2.569 3.234 8.523 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.548 1.450 6.436 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.946 3.987 6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.828 2.596 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.067 2.288 5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.918 5.303 4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.763 4.837 6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.772 3.971 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.863 3.885 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.768 4.663 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.510 4.976 3.937 1.00 0.00 H new ATOM 242 N ARG A 14 -0.290 2.269 6.435 1.00 0.00 N ATOM 243 CA ARG A 14 1.080 1.852 5.997 1.00 0.00 C ATOM 244 C ARG A 14 1.472 0.357 6.217 1.00 0.00 C ATOM 245 O ARG A 14 2.192 -0.208 5.401 1.00 0.00 O ATOM 246 CB ARG A 14 2.063 2.715 6.857 1.00 0.00 C ATOM 247 CG ARG A 14 3.517 2.926 6.372 1.00 0.00 C ATOM 248 CD ARG A 14 3.762 4.241 5.606 1.00 0.00 C ATOM 249 NE ARG A 14 5.209 4.482 5.395 1.00 0.00 N ATOM 250 CZ ARG A 14 5.718 5.493 4.665 1.00 0.00 C ATOM 251 NH1 ARG A 14 4.978 6.411 4.046 1.00 0.00 N ATOM 252 NH2 ARG A 14 7.031 5.580 4.555 1.00 0.00 N ATOM 0 H ARG A 14 -0.273 3.074 7.061 1.00 0.00 H new ATOM 0 HA ARG A 14 1.119 1.993 4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.613 3.700 6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.112 2.264 7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.181 2.897 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.795 2.091 5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.254 4.203 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.330 5.073 6.162 1.00 0.00 H new ATOM 0 HE ARG A 14 5.866 3.837 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.961 6.374 4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.429 7.152 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.628 4.893 5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.448 6.334 4.009 1.00 0.00 H new ATOM 265 N VAL A 15 1.015 -0.208 7.346 1.00 0.00 N ATOM 266 CA VAL A 15 1.231 -1.613 7.794 1.00 0.00 C ATOM 267 C VAL A 15 0.397 -2.626 6.951 1.00 0.00 C ATOM 268 O VAL A 15 0.932 -3.614 6.451 1.00 0.00 O ATOM 269 CB VAL A 15 1.014 -1.657 9.350 1.00 0.00 C ATOM 270 CG1 VAL A 15 -0.430 -1.834 9.838 1.00 0.00 C ATOM 271 CG2 VAL A 15 1.845 -2.713 10.071 1.00 0.00 C ATOM 0 H VAL A 15 0.454 0.322 8.013 1.00 0.00 H new ATOM 0 HA VAL A 15 2.253 -1.944 7.608 1.00 0.00 H new ATOM 0 HB VAL A 15 1.347 -0.651 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.447 -1.849 10.928 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.040 -1.006 9.477 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.831 -2.773 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.634 -2.675 11.140 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.591 -3.701 9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.904 -2.519 9.903 1.00 0.00 H new ATOM 281 N ALA A 16 -0.910 -2.336 6.815 1.00 0.00 N ATOM 282 CA ALA A 16 -1.842 -3.043 5.903 1.00 0.00 C ATOM 283 C ALA A 16 -1.475 -2.896 4.388 1.00 0.00 C ATOM 284 O ALA A 16 -1.710 -3.839 3.629 1.00 0.00 O ATOM 285 CB ALA A 16 -3.258 -2.539 6.230 1.00 0.00 C ATOM 0 H ALA A 16 -1.361 -1.590 7.344 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.773 -4.118 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.980 -3.034 5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.493 -2.763 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.306 -1.462 6.071 1.00 0.00 H new ATOM 291 N LEU A 17 -0.893 -1.749 3.958 1.00 0.00 N ATOM 292 CA LEU A 17 -0.317 -1.558 2.599 1.00 0.00 C ATOM 293 C LEU A 17 1.040 -2.293 2.400 1.00 0.00 C ATOM 294 O LEU A 17 1.302 -2.797 1.304 1.00 0.00 O ATOM 295 CB LEU A 17 -0.258 -0.041 2.268 1.00 0.00 C ATOM 296 CG LEU A 17 -1.629 0.607 1.944 1.00 0.00 C ATOM 297 CD1 LEU A 17 -1.659 2.076 1.531 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.561 -0.170 0.988 1.00 0.00 C ATOM 0 H LEU A 17 -0.808 -0.922 4.549 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.979 -2.033 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.186 0.484 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.408 0.105 1.417 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.019 0.545 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.688 2.379 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.244 2.688 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.066 2.212 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.485 0.391 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.066 -0.305 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.791 -1.145 1.417 1.00 0.00 H new ATOM 310 N GLU A 18 1.885 -2.373 3.446 1.00 0.00 N ATOM 311 CA GLU A 18 3.092 -3.236 3.474 1.00 0.00 C ATOM 312 C GLU A 18 2.710 -4.740 3.359 1.00 0.00 C ATOM 313 O GLU A 18 3.284 -5.445 2.538 1.00 0.00 O ATOM 314 CB GLU A 18 3.990 -2.809 4.679 1.00 0.00 C ATOM 315 CG GLU A 18 4.827 -3.856 5.448 1.00 0.00 C ATOM 316 CD GLU A 18 4.144 -4.501 6.656 1.00 0.00 C ATOM 317 OE1 GLU A 18 3.688 -5.643 6.648 1.00 0.00 O ATOM 318 OE2 GLU A 18 4.125 -3.670 7.745 1.00 0.00 O ATOM 0 H GLU A 18 1.752 -1.838 4.304 1.00 0.00 H new ATOM 0 HA GLU A 18 3.719 -3.091 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.683 -2.052 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.341 -2.320 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.114 -4.645 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.747 -3.380 5.787 1.00 0.00 H new ATOM 326 N LYS A 19 1.725 -5.240 4.114 1.00 0.00 N ATOM 327 CA LYS A 19 1.275 -6.656 4.023 1.00 0.00 C ATOM 328 C LYS A 19 0.475 -7.065 2.733 1.00 0.00 C ATOM 329 O LYS A 19 0.461 -8.240 2.359 1.00 0.00 O ATOM 330 CB LYS A 19 0.595 -6.880 5.401 1.00 0.00 C ATOM 331 CG LYS A 19 0.118 -8.280 5.809 1.00 0.00 C ATOM 332 CD LYS A 19 -0.472 -8.230 7.245 1.00 0.00 C ATOM 333 CE LYS A 19 -0.951 -9.588 7.796 1.00 0.00 C ATOM 334 NZ LYS A 19 -2.166 -10.090 7.127 1.00 0.00 N ATOM 0 H LYS A 19 1.214 -4.689 4.804 1.00 0.00 H new ATOM 0 HA LYS A 19 2.097 -7.353 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.295 -6.542 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.270 -6.218 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.636 -8.638 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.949 -8.984 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.284 -7.827 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.311 -7.534 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.152 -10.321 7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.146 -9.491 8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.438 -11.005 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.940 -9.408 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.978 -10.212 6.111 1.00 0.00 H new ATOM 347 N SER A 20 -0.111 -6.074 2.039 1.00 0.00 N ATOM 348 CA SER A 20 -0.604 -6.147 0.627 1.00 0.00 C ATOM 349 C SER A 20 0.478 -6.661 -0.364 1.00 0.00 C ATOM 350 O SER A 20 0.271 -7.639 -1.082 1.00 0.00 O ATOM 351 CB SER A 20 -1.019 -4.687 0.302 1.00 0.00 C ATOM 352 OG SER A 20 -2.346 -4.633 -0.191 1.00 0.00 O ATOM 0 H SER A 20 -0.267 -5.155 2.453 1.00 0.00 H new ATOM 0 HA SER A 20 -1.423 -6.859 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.936 -4.073 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.336 -4.267 -0.436 1.00 0.00 H new ATOM 0 HG SER A 20 -2.976 -4.681 0.558 1.00 0.00 H new ATOM 358 N PHE A 21 1.634 -5.992 -0.313 1.00 0.00 N ATOM 359 CA PHE A 21 2.859 -6.276 -1.075 1.00 0.00 C ATOM 360 C PHE A 21 3.441 -7.708 -0.830 1.00 0.00 C ATOM 361 O PHE A 21 3.678 -8.458 -1.778 1.00 0.00 O ATOM 362 CB PHE A 21 3.774 -5.104 -0.623 1.00 0.00 C ATOM 363 CG PHE A 21 5.036 -4.839 -1.441 1.00 0.00 C ATOM 364 CD1 PHE A 21 6.150 -5.676 -1.296 1.00 0.00 C ATOM 365 CD2 PHE A 21 5.169 -3.620 -2.105 1.00 0.00 C ATOM 366 CE1 PHE A 21 7.391 -5.277 -1.772 1.00 0.00 C ATOM 367 CE2 PHE A 21 6.407 -3.236 -2.606 1.00 0.00 C ATOM 368 CZ PHE A 21 7.522 -4.049 -2.405 1.00 0.00 C ATOM 0 H PHE A 21 1.749 -5.185 0.300 1.00 0.00 H new ATOM 0 HA PHE A 21 2.716 -6.312 -2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.177 -4.192 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.074 -5.290 0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.043 -6.635 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.311 -2.975 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.251 -5.919 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.506 -2.309 -3.151 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.494 -3.721 -2.744 1.00 0.00 H new ATOM 378 N LEU A 22 3.629 -8.058 0.456 1.00 0.00 N ATOM 379 CA LEU A 22 4.086 -9.400 0.932 1.00 0.00 C ATOM 380 C LEU A 22 3.186 -10.628 0.557 1.00 0.00 C ATOM 381 O LEU A 22 3.692 -11.751 0.494 1.00 0.00 O ATOM 382 CB LEU A 22 4.344 -9.362 2.452 1.00 0.00 C ATOM 383 CG LEU A 22 5.281 -8.227 2.956 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.469 -8.359 4.454 1.00 0.00 C ATOM 385 CD2 LEU A 22 6.650 -8.140 2.263 1.00 0.00 C ATOM 0 H LEU A 22 3.466 -7.405 1.223 1.00 0.00 H new ATOM 0 HA LEU A 22 5.007 -9.580 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.385 -9.267 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.771 -10.319 2.752 1.00 0.00 H new ATOM 0 HG LEU A 22 4.776 -7.297 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.125 -7.565 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.502 -8.280 4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.915 -9.327 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.222 -7.316 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.193 -9.074 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.507 -7.968 1.196 1.00 0.00 H new ATOM 397 N GLU A 23 1.883 -10.404 0.277 1.00 0.00 N ATOM 398 CA GLU A 23 0.933 -11.444 -0.203 1.00 0.00 C ATOM 399 C GLU A 23 1.133 -11.588 -1.750 1.00 0.00 C ATOM 400 O GLU A 23 1.570 -12.639 -2.226 1.00 0.00 O ATOM 401 CB GLU A 23 -0.504 -11.004 0.220 1.00 0.00 C ATOM 402 CG GLU A 23 -1.575 -12.099 0.043 1.00 0.00 C ATOM 403 CD GLU A 23 -2.986 -11.595 0.357 1.00 0.00 C ATOM 404 OE1 GLU A 23 -3.534 -11.748 1.447 1.00 0.00 O ATOM 405 OE2 GLU A 23 -3.556 -10.954 -0.714 1.00 0.00 O ATOM 0 H GLU A 23 1.451 -9.485 0.378 1.00 0.00 H new ATOM 0 HA GLU A 23 1.104 -12.428 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.485 -10.695 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.792 -10.131 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.545 -12.470 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.340 -12.941 0.694 1.00 0.00 H new ATOM 413 N ASN A 24 0.837 -10.511 -2.493 1.00 0.00 N ATOM 414 CA ASN A 24 1.124 -10.366 -3.938 1.00 0.00 C ATOM 415 C ASN A 24 1.364 -8.859 -4.153 1.00 0.00 C ATOM 416 O ASN A 24 0.567 -8.009 -3.737 1.00 0.00 O ATOM 417 CB ASN A 24 0.078 -10.926 -4.932 1.00 0.00 C ATOM 418 CG ASN A 24 -1.419 -10.724 -4.668 1.00 0.00 C ATOM 419 OD1 ASN A 24 -1.875 -9.747 -4.074 1.00 0.00 O ATOM 420 ND2 ASN A 24 -2.210 -11.635 -5.195 1.00 0.00 N ATOM 0 H ASN A 24 0.378 -9.690 -2.099 1.00 0.00 H new ATOM 0 HA ASN A 24 1.985 -10.991 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.296 -10.494 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.250 -11.999 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.222 -11.539 -5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.810 -12.437 -5.683 1.00 0.00 H new ATOM 427 N GLN A 25 2.463 -8.541 -4.857 1.00 0.00 N ATOM 428 CA GLN A 25 2.875 -7.124 -5.097 1.00 0.00 C ATOM 429 C GLN A 25 1.798 -6.381 -5.926 1.00 0.00 C ATOM 430 O GLN A 25 1.079 -5.559 -5.352 1.00 0.00 O ATOM 431 CB GLN A 25 4.352 -7.013 -5.562 1.00 0.00 C ATOM 432 CG GLN A 25 5.103 -5.742 -5.120 1.00 0.00 C ATOM 433 CD GLN A 25 4.829 -4.468 -5.934 1.00 0.00 C ATOM 434 OE1 GLN A 25 5.197 -4.370 -7.103 1.00 0.00 O ATOM 435 NE2 GLN A 25 4.206 -3.462 -5.339 1.00 0.00 N ATOM 0 H GLN A 25 3.087 -9.232 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 25 2.902 -6.572 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.896 -7.881 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.375 -7.065 -6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.852 -5.542 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.173 -5.947 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.904 -3.551 -4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.028 -2.598 -5.851 1.00 0.00 H new ATOM 444 N LYS A 26 1.658 -6.734 -7.218 1.00 0.00 N ATOM 445 CA LYS A 26 0.514 -6.315 -8.080 1.00 0.00 C ATOM 446 C LYS A 26 -0.072 -4.879 -7.941 1.00 0.00 C ATOM 447 O LYS A 26 -1.108 -4.683 -7.299 1.00 0.00 O ATOM 448 CB LYS A 26 -0.570 -7.432 -8.020 1.00 0.00 C ATOM 449 CG LYS A 26 -0.208 -8.787 -8.675 1.00 0.00 C ATOM 450 CD LYS A 26 -1.324 -9.856 -8.603 1.00 0.00 C ATOM 451 CE LYS A 26 -2.632 -9.579 -9.375 1.00 0.00 C ATOM 452 NZ LYS A 26 -2.452 -9.534 -10.839 1.00 0.00 N ATOM 0 H LYS A 26 2.335 -7.322 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 26 0.945 -6.208 -9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.813 -7.614 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.475 -7.054 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.044 -8.614 -9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.686 -9.181 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.912 -10.797 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.579 -10.005 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.360 -10.352 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.049 -8.630 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.367 -9.345 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.780 -8.778 -11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.082 -10.447 -11.171 1.00 0.00 H new ATOM 465 N PRO A 27 0.626 -3.847 -8.477 1.00 0.00 N ATOM 466 CA PRO A 27 -0.078 -2.595 -8.862 1.00 0.00 C ATOM 467 C PRO A 27 -1.100 -2.722 -10.035 1.00 0.00 C ATOM 468 O PRO A 27 -1.026 -2.001 -11.037 1.00 0.00 O ATOM 469 CB PRO A 27 1.076 -1.640 -9.202 1.00 0.00 C ATOM 470 CG PRO A 27 2.066 -1.914 -8.097 1.00 0.00 C ATOM 471 CD PRO A 27 1.761 -3.350 -7.660 1.00 0.00 C ATOM 0 HA PRO A 27 -0.724 -2.253 -8.053 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.498 -1.848 -10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.753 -0.599 -9.208 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.093 -1.816 -8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.944 -1.213 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.637 -3.984 -7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.509 -3.380 -6.600 1.00 0.00 H new ATOM 479 N THR A 28 -2.097 -3.621 -9.875 1.00 0.00 N ATOM 480 CA THR A 28 -3.220 -3.790 -10.799 1.00 0.00 C ATOM 481 C THR A 28 -4.235 -2.685 -10.434 1.00 0.00 C ATOM 482 O THR A 28 -4.543 -2.488 -9.259 1.00 0.00 O ATOM 483 CB THR A 28 -3.723 -5.261 -11.012 1.00 0.00 C ATOM 484 OG1 THR A 28 -3.086 -6.195 -10.148 1.00 0.00 O ATOM 485 CG2 THR A 28 -3.439 -5.810 -12.419 1.00 0.00 C ATOM 0 H THR A 28 -2.136 -4.259 -9.080 1.00 0.00 H new ATOM 0 HA THR A 28 -2.921 -3.639 -11.836 1.00 0.00 H new ATOM 0 HB THR A 28 -4.792 -5.176 -10.818 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.041 -7.070 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.814 -6.831 -12.494 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.937 -5.185 -13.161 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.364 -5.804 -12.602 1.00 0.00 H new ATOM 493 N SER A 29 -4.710 -1.887 -11.404 1.00 0.00 N ATOM 494 CA SER A 29 -5.767 -0.861 -11.127 1.00 0.00 C ATOM 495 C SER A 29 -7.052 -1.387 -10.382 1.00 0.00 C ATOM 496 O SER A 29 -7.678 -0.662 -9.605 1.00 0.00 O ATOM 497 CB SER A 29 -6.177 -0.229 -12.470 1.00 0.00 C ATOM 498 OG SER A 29 -5.286 0.818 -12.836 1.00 0.00 O ATOM 0 H SER A 29 -4.396 -1.919 -12.374 1.00 0.00 H new ATOM 0 HA SER A 29 -5.322 -0.143 -10.437 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.185 -0.993 -13.248 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.192 0.162 -12.397 1.00 0.00 H new ATOM 0 HG SER A 29 -5.567 1.202 -13.693 1.00 0.00 H new ATOM 504 N GLU A 30 -7.388 -2.657 -10.659 1.00 0.00 N ATOM 505 CA GLU A 30 -8.448 -3.422 -9.935 1.00 0.00 C ATOM 506 C GLU A 30 -7.953 -3.935 -8.543 1.00 0.00 C ATOM 507 O GLU A 30 -8.706 -3.923 -7.567 1.00 0.00 O ATOM 508 CB GLU A 30 -8.961 -4.600 -10.809 1.00 0.00 C ATOM 509 CG GLU A 30 -9.778 -4.224 -12.068 1.00 0.00 C ATOM 510 CD GLU A 30 -11.127 -3.555 -11.772 1.00 0.00 C ATOM 511 OE1 GLU A 30 -12.160 -4.184 -11.547 1.00 0.00 O ATOM 512 OE2 GLU A 30 -11.040 -2.186 -11.784 1.00 0.00 O ATOM 0 H GLU A 30 -6.935 -3.197 -11.396 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.276 -2.738 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.100 -5.190 -11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.577 -5.245 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.182 -3.553 -12.686 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.954 -5.126 -12.654 1.00 0.00 H new ATOM 520 N GLU A 31 -6.690 -4.395 -8.478 1.00 0.00 N ATOM 521 CA GLU A 31 -5.974 -4.766 -7.238 1.00 0.00 C ATOM 522 C GLU A 31 -5.893 -3.603 -6.187 1.00 0.00 C ATOM 523 O GLU A 31 -6.362 -3.790 -5.065 1.00 0.00 O ATOM 524 CB GLU A 31 -4.612 -5.351 -7.722 1.00 0.00 C ATOM 525 CG GLU A 31 -3.756 -5.962 -6.589 1.00 0.00 C ATOM 526 CD GLU A 31 -4.364 -7.154 -5.839 1.00 0.00 C ATOM 527 OE1 GLU A 31 -4.210 -8.324 -6.190 1.00 0.00 O ATOM 528 OE2 GLU A 31 -5.082 -6.764 -4.737 1.00 0.00 O ATOM 0 H GLU A 31 -6.119 -4.524 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.510 -5.515 -6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.803 -6.117 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.041 -4.561 -8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.802 -6.276 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.539 -5.177 -5.864 1.00 0.00 H new ATOM 536 N ILE A 32 -5.384 -2.410 -6.567 1.00 0.00 N ATOM 537 CA ILE A 32 -5.383 -1.150 -5.744 1.00 0.00 C ATOM 538 C ILE A 32 -6.797 -0.778 -5.178 1.00 0.00 C ATOM 539 O ILE A 32 -6.917 -0.445 -3.997 1.00 0.00 O ATOM 540 CB ILE A 32 -4.681 -0.047 -6.634 1.00 0.00 C ATOM 541 CG1 ILE A 32 -3.132 -0.094 -6.491 1.00 0.00 C ATOM 542 CG2 ILE A 32 -5.108 1.429 -6.444 1.00 0.00 C ATOM 543 CD1 ILE A 32 -2.376 -0.116 -7.818 1.00 0.00 C ATOM 0 H ILE A 32 -4.947 -2.279 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.817 -1.270 -4.820 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.032 -0.335 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.806 0.772 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.859 -0.979 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.538 2.063 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.172 1.531 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.915 1.734 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.304 -0.149 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.669 -0.997 -8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.615 0.782 -8.388 1.00 0.00 H new ATOM 555 N THR A 33 -7.839 -0.879 -6.022 1.00 0.00 N ATOM 556 CA THR A 33 -9.272 -0.726 -5.625 1.00 0.00 C ATOM 557 C THR A 33 -9.722 -1.658 -4.458 1.00 0.00 C ATOM 558 O THR A 33 -10.171 -1.159 -3.422 1.00 0.00 O ATOM 559 CB THR A 33 -10.161 -0.878 -6.910 1.00 0.00 C ATOM 560 OG1 THR A 33 -9.963 0.224 -7.786 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.676 -1.053 -6.688 1.00 0.00 C ATOM 0 H THR A 33 -7.720 -1.072 -7.016 1.00 0.00 H new ATOM 0 HA THR A 33 -9.402 0.271 -5.205 1.00 0.00 H new ATOM 0 HB THR A 33 -9.817 -1.819 -7.340 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.235 0.019 -8.410 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.176 -1.147 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.856 -1.951 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.069 -0.185 -6.158 1.00 0.00 H new ATOM 569 N MET A 34 -9.617 -2.984 -4.642 1.00 0.00 N ATOM 570 CA MET A 34 -9.976 -3.992 -3.606 1.00 0.00 C ATOM 571 C MET A 34 -9.176 -3.896 -2.260 1.00 0.00 C ATOM 572 O MET A 34 -9.736 -4.183 -1.199 1.00 0.00 O ATOM 573 CB MET A 34 -9.916 -5.392 -4.285 1.00 0.00 C ATOM 574 CG MET A 34 -11.271 -6.111 -4.363 1.00 0.00 C ATOM 575 SD MET A 34 -12.424 -5.139 -5.358 1.00 0.00 S ATOM 576 CE MET A 34 -13.899 -6.171 -5.269 1.00 0.00 C ATOM 0 H MET A 34 -9.281 -3.398 -5.512 1.00 0.00 H new ATOM 0 HA MET A 34 -10.987 -3.786 -3.256 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.519 -5.278 -5.294 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.215 -6.020 -3.736 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.143 -7.101 -4.801 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.674 -6.256 -3.361 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.704 -5.705 -5.837 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.681 -7.153 -5.688 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.205 -6.280 -4.228 1.00 0.00 H new ATOM 586 N ILE A 35 -7.899 -3.462 -2.313 1.00 0.00 N ATOM 587 CA ILE A 35 -7.057 -3.147 -1.117 1.00 0.00 C ATOM 588 C ILE A 35 -7.623 -1.911 -0.353 1.00 0.00 C ATOM 589 O ILE A 35 -7.759 -1.982 0.871 1.00 0.00 O ATOM 590 CB ILE A 35 -5.554 -2.927 -1.534 1.00 0.00 C ATOM 591 CG1 ILE A 35 -4.931 -4.170 -2.220 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.652 -2.507 -0.344 1.00 0.00 C ATOM 593 CD1 ILE A 35 -3.666 -3.913 -3.052 1.00 0.00 C ATOM 0 H ILE A 35 -7.408 -3.315 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.091 -4.000 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.590 -2.109 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.694 -4.905 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.684 -4.619 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.629 -2.370 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.019 -1.572 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.674 -3.284 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.318 -4.851 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.893 -3.207 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.888 -3.498 -2.412 1.00 0.00 H new ATOM 605 N ALA A 36 -7.921 -0.798 -1.056 1.00 0.00 N ATOM 606 CA ALA A 36 -8.529 0.410 -0.422 1.00 0.00 C ATOM 607 C ALA A 36 -9.856 0.179 0.351 1.00 0.00 C ATOM 608 O ALA A 36 -10.042 0.739 1.433 1.00 0.00 O ATOM 609 CB ALA A 36 -8.748 1.503 -1.464 1.00 0.00 C ATOM 0 H ALA A 36 -7.755 -0.703 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.799 0.708 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.192 2.377 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.792 1.779 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.417 1.135 -2.242 1.00 0.00 H new ATOM 615 N ASP A 37 -10.751 -0.655 -0.213 1.00 0.00 N ATOM 616 CA ASP A 37 -12.013 -1.083 0.440 1.00 0.00 C ATOM 617 C ASP A 37 -11.789 -1.897 1.754 1.00 0.00 C ATOM 618 O ASP A 37 -12.481 -1.644 2.744 1.00 0.00 O ATOM 619 CB ASP A 37 -12.834 -1.898 -0.598 1.00 0.00 C ATOM 620 CG ASP A 37 -14.344 -1.853 -0.342 1.00 0.00 C ATOM 621 OD1 ASP A 37 -14.955 -2.727 0.273 1.00 0.00 O ATOM 622 OD2 ASP A 37 -14.924 -0.727 -0.870 1.00 0.00 O ATOM 0 H ASP A 37 -10.622 -1.056 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.560 -0.194 0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.630 -1.513 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.500 -2.935 -0.582 1.00 0.00 H new ATOM 628 N GLN A 38 -10.820 -2.844 1.748 1.00 0.00 N ATOM 629 CA GLN A 38 -10.375 -3.587 2.966 1.00 0.00 C ATOM 630 C GLN A 38 -9.937 -2.626 4.126 1.00 0.00 C ATOM 631 O GLN A 38 -10.450 -2.767 5.240 1.00 0.00 O ATOM 632 CB GLN A 38 -9.278 -4.604 2.545 1.00 0.00 C ATOM 633 CG GLN A 38 -8.855 -5.600 3.649 1.00 0.00 C ATOM 634 CD GLN A 38 -7.731 -6.545 3.193 1.00 0.00 C ATOM 635 OE1 GLN A 38 -6.550 -6.201 3.238 1.00 0.00 O ATOM 636 NE2 GLN A 38 -8.068 -7.747 2.747 1.00 0.00 N ATOM 0 H GLN A 38 -10.321 -3.119 0.902 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.213 -4.142 3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.638 -5.169 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.397 -4.051 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.524 -5.045 4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.720 -6.190 3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.050 -8.022 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.346 -8.397 2.437 1.00 0.00 H new ATOM 645 N LEU A 39 -9.036 -1.653 3.853 1.00 0.00 N ATOM 646 CA LEU A 39 -8.673 -0.579 4.816 1.00 0.00 C ATOM 647 C LEU A 39 -9.599 0.666 4.541 1.00 0.00 C ATOM 648 O LEU A 39 -10.816 0.502 4.394 1.00 0.00 O ATOM 649 CB LEU A 39 -7.112 -0.432 4.882 1.00 0.00 C ATOM 650 CG LEU A 39 -6.224 -0.215 3.611 1.00 0.00 C ATOM 651 CD1 LEU A 39 -6.495 1.116 2.950 1.00 0.00 C ATOM 652 CD2 LEU A 39 -4.721 -0.281 3.932 1.00 0.00 C ATOM 0 H LEU A 39 -8.541 -1.588 2.964 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.892 -0.796 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.908 0.405 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.737 -1.330 5.373 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.491 -1.027 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.857 1.223 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.541 1.165 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.283 1.921 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.147 -0.125 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.469 0.494 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.481 -1.259 4.349 1.00 0.00 H new ATOM 664 N ASN A 40 -9.065 1.900 4.530 1.00 0.00 N ATOM 665 CA ASN A 40 -9.820 3.133 4.165 1.00 0.00 C ATOM 666 C ASN A 40 -8.799 4.148 3.558 1.00 0.00 C ATOM 667 O ASN A 40 -8.377 5.095 4.229 1.00 0.00 O ATOM 668 CB ASN A 40 -10.597 3.672 5.397 1.00 0.00 C ATOM 669 CG ASN A 40 -11.606 4.778 5.094 1.00 0.00 C ATOM 670 OD1 ASN A 40 -12.350 4.762 4.113 1.00 0.00 O ATOM 671 ND2 ASN A 40 -11.730 5.685 6.038 1.00 0.00 N ATOM 0 H ASN A 40 -8.091 2.081 4.774 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.584 2.936 3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.123 2.841 5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.878 4.047 6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.456 6.398 5.968 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.100 5.675 6.840 1.00 0.00 H new ATOM 678 N MET A 41 -8.418 3.934 2.284 1.00 0.00 N ATOM 679 CA MET A 41 -7.349 4.738 1.606 1.00 0.00 C ATOM 680 C MET A 41 -7.829 5.671 0.475 1.00 0.00 C ATOM 681 O MET A 41 -8.864 5.437 -0.160 1.00 0.00 O ATOM 682 CB MET A 41 -6.388 3.758 0.824 1.00 0.00 C ATOM 683 CG MET A 41 -4.887 3.890 1.115 1.00 0.00 C ATOM 684 SD MET A 41 -4.212 5.557 1.088 1.00 0.00 S ATOM 685 CE MET A 41 -2.677 5.249 1.990 1.00 0.00 C ATOM 0 H MET A 41 -8.828 3.212 1.691 1.00 0.00 H new ATOM 0 HA MET A 41 -6.913 5.317 2.420 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.690 2.735 1.048 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.543 3.910 -0.244 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.690 3.457 2.096 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.343 3.289 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.396 6.143 2.546 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.823 4.421 2.684 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.885 4.996 1.285 1.00 0.00 H new ATOM 695 N GLU A 42 -6.958 6.659 0.165 1.00 0.00 N ATOM 696 CA GLU A 42 -6.909 7.241 -1.196 1.00 0.00 C ATOM 697 C GLU A 42 -6.048 6.291 -2.082 1.00 0.00 C ATOM 698 O GLU A 42 -5.108 5.625 -1.655 1.00 0.00 O ATOM 699 CB GLU A 42 -6.752 8.765 -1.313 1.00 0.00 C ATOM 700 CG GLU A 42 -6.874 9.422 -2.706 1.00 0.00 C ATOM 701 CD GLU A 42 -8.288 9.383 -3.302 1.00 0.00 C ATOM 702 OE1 GLU A 42 -9.090 10.309 -3.208 1.00 0.00 O ATOM 703 OE2 GLU A 42 -8.545 8.208 -3.954 1.00 0.00 O ATOM 0 H GLU A 42 -6.292 7.063 0.824 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.906 7.258 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.499 9.224 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.774 9.028 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.551 10.461 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.190 8.922 -3.392 1.00 0.00 H new ATOM 711 N LYS A 43 -6.531 6.110 -3.295 1.00 0.00 N ATOM 712 CA LYS A 43 -5.931 5.175 -4.305 1.00 0.00 C ATOM 713 C LYS A 43 -4.791 5.633 -5.216 1.00 0.00 C ATOM 714 O LYS A 43 -3.970 4.814 -5.640 1.00 0.00 O ATOM 715 CB LYS A 43 -7.055 4.500 -5.069 1.00 0.00 C ATOM 716 CG LYS A 43 -7.544 3.250 -4.305 1.00 0.00 C ATOM 717 CD LYS A 43 -9.048 3.017 -4.552 1.00 0.00 C ATOM 718 CE LYS A 43 -9.528 2.966 -6.018 1.00 0.00 C ATOM 719 NZ LYS A 43 -10.972 2.685 -6.104 1.00 0.00 N ATOM 0 H LYS A 43 -7.358 6.599 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.359 4.483 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.881 5.198 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.709 4.216 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.977 2.376 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.360 3.374 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.326 2.078 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.599 3.809 -4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.311 3.916 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.974 2.197 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.124 1.815 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.360 2.563 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.453 3.479 -6.574 1.00 0.00 H new ATOM 732 N GLU A 44 -4.777 6.930 -5.517 1.00 0.00 N ATOM 733 CA GLU A 44 -3.563 7.601 -6.086 1.00 0.00 C ATOM 734 C GLU A 44 -2.314 7.398 -5.147 1.00 0.00 C ATOM 735 O GLU A 44 -1.209 7.161 -5.621 1.00 0.00 O ATOM 736 CB GLU A 44 -3.905 9.100 -6.281 1.00 0.00 C ATOM 737 CG GLU A 44 -2.992 9.848 -7.272 1.00 0.00 C ATOM 738 CD GLU A 44 -3.413 11.310 -7.449 1.00 0.00 C ATOM 739 OE1 GLU A 44 -2.930 12.237 -6.799 1.00 0.00 O ATOM 740 OE2 GLU A 44 -4.389 11.459 -8.401 1.00 0.00 O ATOM 0 H GLU A 44 -5.575 7.551 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.294 7.160 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.936 9.181 -6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.853 9.599 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.962 9.808 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.016 9.344 -8.238 1.00 0.00 H new ATOM 748 N VAL A 45 -2.590 7.438 -3.832 1.00 0.00 N ATOM 749 CA VAL A 45 -1.709 7.079 -2.700 1.00 0.00 C ATOM 750 C VAL A 45 -1.289 5.575 -2.642 1.00 0.00 C ATOM 751 O VAL A 45 -0.173 5.320 -2.212 1.00 0.00 O ATOM 752 CB VAL A 45 -2.473 7.403 -1.375 1.00 0.00 C ATOM 753 CG1 VAL A 45 -1.641 7.433 -0.118 1.00 0.00 C ATOM 754 CG2 VAL A 45 -3.284 8.685 -1.297 1.00 0.00 C ATOM 0 H VAL A 45 -3.506 7.746 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.793 7.654 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.138 6.541 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.278 7.667 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.176 6.459 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.867 8.194 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.751 8.761 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.628 9.541 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.056 8.674 -2.066 1.00 0.00 H new ATOM 764 N ILE A 46 -2.162 4.594 -2.960 1.00 0.00 N ATOM 765 CA ILE A 46 -1.791 3.130 -2.987 1.00 0.00 C ATOM 766 C ILE A 46 -0.789 2.843 -4.135 1.00 0.00 C ATOM 767 O ILE A 46 0.231 2.207 -3.895 1.00 0.00 O ATOM 768 CB ILE A 46 -2.926 2.078 -3.028 1.00 0.00 C ATOM 769 CG1 ILE A 46 -3.832 2.327 -1.819 1.00 0.00 C ATOM 770 CG2 ILE A 46 -2.396 0.605 -2.960 1.00 0.00 C ATOM 771 CD1 ILE A 46 -5.058 1.477 -1.831 1.00 0.00 C ATOM 0 H ILE A 46 -3.136 4.773 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.352 2.992 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.455 2.186 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.271 2.135 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.124 3.377 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.238 -0.086 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.738 0.416 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.843 0.460 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.662 1.697 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.638 1.687 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.772 0.425 -1.821 1.00 0.00 H new ATOM 783 N ARG A 47 -1.134 3.270 -5.362 1.00 0.00 N ATOM 784 CA ARG A 47 -0.241 3.164 -6.550 1.00 0.00 C ATOM 785 C ARG A 47 1.139 3.896 -6.365 1.00 0.00 C ATOM 786 O ARG A 47 2.167 3.381 -6.803 1.00 0.00 O ATOM 787 CB ARG A 47 -1.012 3.549 -7.845 1.00 0.00 C ATOM 788 CG ARG A 47 -1.494 5.005 -8.009 1.00 0.00 C ATOM 789 CD ARG A 47 -2.385 5.266 -9.242 1.00 0.00 C ATOM 790 NE ARG A 47 -3.787 4.792 -9.078 1.00 0.00 N ATOM 791 CZ ARG A 47 -4.314 3.689 -9.646 1.00 0.00 C ATOM 792 NH1 ARG A 47 -3.632 2.849 -10.422 1.00 0.00 N ATOM 793 NH2 ARG A 47 -5.588 3.424 -9.418 1.00 0.00 N ATOM 0 H ARG A 47 -2.036 3.699 -5.568 1.00 0.00 H new ATOM 0 HA ARG A 47 0.049 2.119 -6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.371 3.314 -8.695 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.885 2.901 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.046 5.291 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.621 5.656 -8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.395 6.335 -9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.944 4.774 -10.109 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.401 5.350 -8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.646 3.023 -10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.095 2.032 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.141 4.046 -8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.019 2.598 -9.832 1.00 0.00 H new ATOM 806 N VAL A 48 1.129 5.060 -5.680 1.00 0.00 N ATOM 807 CA VAL A 48 2.327 5.827 -5.243 1.00 0.00 C ATOM 808 C VAL A 48 3.075 5.090 -4.079 1.00 0.00 C ATOM 809 O VAL A 48 4.279 4.874 -4.218 1.00 0.00 O ATOM 810 CB VAL A 48 1.848 7.291 -4.940 1.00 0.00 C ATOM 811 CG1 VAL A 48 2.595 8.043 -3.837 1.00 0.00 C ATOM 812 CG2 VAL A 48 1.807 8.160 -6.218 1.00 0.00 C ATOM 0 H VAL A 48 0.257 5.512 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 48 3.091 5.891 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 48 0.843 7.132 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.170 9.040 -3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.499 7.500 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.649 8.125 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.470 9.165 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.804 8.211 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.118 7.717 -6.937 1.00 0.00 H new ATOM 822 N TRP A 49 2.405 4.722 -2.954 1.00 0.00 N ATOM 823 CA TRP A 49 3.025 3.906 -1.858 1.00 0.00 C ATOM 824 C TRP A 49 3.657 2.568 -2.362 1.00 0.00 C ATOM 825 O TRP A 49 4.765 2.234 -1.945 1.00 0.00 O ATOM 826 CB TRP A 49 1.999 3.612 -0.720 1.00 0.00 C ATOM 827 CG TRP A 49 2.633 3.085 0.581 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.378 3.859 1.493 1.00 0.00 C ATOM 829 CD2 TRP A 49 2.892 1.768 0.922 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.094 3.057 2.395 1.00 0.00 N ATOM 831 CE2 TRP A 49 3.798 1.765 2.013 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.612 0.567 0.225 1.00 0.00 C ATOM 833 CZ2 TRP A 49 4.462 0.569 2.375 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.360 -0.567 0.543 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.272 -0.565 1.587 1.00 0.00 C ATOM 0 H TRP A 49 1.433 4.975 -2.776 1.00 0.00 H new ATOM 0 HA TRP A 49 3.838 4.516 -1.464 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.448 4.526 -0.498 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.274 2.882 -1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.396 4.939 1.497 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.697 3.361 3.160 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.842 0.530 -0.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.103 0.535 3.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.225 -1.467 -0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.845 -1.457 1.793 1.00 0.00 H new ATOM 846 N PHE A 50 2.949 1.817 -3.230 1.00 0.00 N ATOM 847 CA PHE A 50 3.466 0.605 -3.897 1.00 0.00 C ATOM 848 C PHE A 50 4.725 0.879 -4.791 1.00 0.00 C ATOM 849 O PHE A 50 5.655 0.075 -4.744 1.00 0.00 O ATOM 850 CB PHE A 50 2.299 -0.053 -4.709 1.00 0.00 C ATOM 851 CG PHE A 50 1.317 -1.075 -4.072 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.593 -1.692 -2.852 1.00 0.00 C ATOM 853 CD2 PHE A 50 0.228 -1.540 -4.825 1.00 0.00 C ATOM 854 CE1 PHE A 50 0.919 -2.838 -2.465 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.499 -2.656 -4.403 1.00 0.00 C ATOM 856 CZ PHE A 50 -0.109 -3.351 -3.249 1.00 0.00 C ATOM 0 H PHE A 50 1.988 2.039 -3.491 1.00 0.00 H new ATOM 0 HA PHE A 50 3.817 -0.087 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.691 0.763 -5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.755 -0.549 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.343 -1.270 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.050 -1.032 -5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.194 -3.337 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.361 -2.983 -4.965 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.600 -4.272 -2.973 1.00 0.00 H new ATOM 866 N CYS A 51 4.754 1.987 -5.572 1.00 0.00 N ATOM 867 CA CYS A 51 5.954 2.450 -6.337 1.00 0.00 C ATOM 868 C CYS A 51 7.201 2.844 -5.481 1.00 0.00 C ATOM 869 O CYS A 51 8.340 2.595 -5.884 1.00 0.00 O ATOM 870 CB CYS A 51 5.558 3.692 -7.167 1.00 0.00 C ATOM 871 SG CYS A 51 6.700 3.880 -8.574 1.00 0.00 S ATOM 0 H CYS A 51 3.943 2.593 -5.694 1.00 0.00 H new ATOM 0 HA CYS A 51 6.254 1.591 -6.937 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.535 3.589 -7.528 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.587 4.584 -6.541 1.00 0.00 H new ATOM 0 HG CYS A 51 6.362 4.924 -9.271 1.00 0.00 H new ATOM 877 N ASN A 52 6.952 3.431 -4.295 1.00 0.00 N ATOM 878 CA ASN A 52 8.002 3.871 -3.338 1.00 0.00 C ATOM 879 C ASN A 52 8.524 2.661 -2.508 1.00 0.00 C ATOM 880 O ASN A 52 9.746 2.492 -2.454 1.00 0.00 O ATOM 881 CB ASN A 52 7.417 5.026 -2.475 1.00 0.00 C ATOM 882 CG ASN A 52 8.461 5.773 -1.623 1.00 0.00 C ATOM 883 OD1 ASN A 52 8.863 5.317 -0.553 1.00 0.00 O ATOM 884 ND2 ASN A 52 8.911 6.934 -2.076 1.00 0.00 N ATOM 0 H ASN A 52 6.006 3.618 -3.964 1.00 0.00 H new ATOM 0 HA ASN A 52 8.878 4.259 -3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.923 5.741 -3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.651 4.619 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.598 7.460 -1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.570 7.302 -2.964 1.00 0.00 H new ATOM 891 N ARG A 53 7.662 1.799 -1.916 1.00 0.00 N ATOM 892 CA ARG A 53 8.100 0.528 -1.310 1.00 0.00 C ATOM 893 C ARG A 53 8.656 -0.553 -2.299 1.00 0.00 C ATOM 894 O ARG A 53 9.290 -1.490 -1.823 1.00 0.00 O ATOM 895 CB ARG A 53 6.917 0.041 -0.448 1.00 0.00 C ATOM 896 CG ARG A 53 7.396 -0.733 0.792 1.00 0.00 C ATOM 897 CD ARG A 53 7.357 -2.231 0.642 1.00 0.00 C ATOM 898 NE ARG A 53 7.683 -2.945 1.898 1.00 0.00 N ATOM 899 CZ ARG A 53 6.977 -3.964 2.397 1.00 0.00 C ATOM 900 NH1 ARG A 53 5.873 -4.421 1.851 1.00 0.00 N ATOM 901 NH2 ARG A 53 7.380 -4.539 3.501 1.00 0.00 N ATOM 0 H ARG A 53 6.658 1.966 -1.848 1.00 0.00 H new ATOM 0 HA ARG A 53 8.988 0.708 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.319 0.897 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.269 -0.598 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.417 -0.429 1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.778 -0.449 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.365 -2.532 0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.061 -2.532 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 53 8.504 -2.637 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.511 -3.994 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.378 -5.203 2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.223 -4.208 3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.851 -5.318 3.893 1.00 0.00 H new ATOM 914 N ARG A 54 8.505 -0.394 -3.634 1.00 0.00 N ATOM 915 CA ARG A 54 8.995 -1.340 -4.686 1.00 0.00 C ATOM 916 C ARG A 54 10.495 -1.805 -4.644 1.00 0.00 C ATOM 917 O ARG A 54 10.824 -2.809 -5.280 1.00 0.00 O ATOM 918 CB ARG A 54 8.674 -0.677 -6.059 1.00 0.00 C ATOM 919 CG ARG A 54 8.609 -1.625 -7.273 1.00 0.00 C ATOM 920 CD ARG A 54 8.160 -0.912 -8.563 1.00 0.00 C ATOM 921 NE ARG A 54 8.113 -1.845 -9.718 1.00 0.00 N ATOM 922 CZ ARG A 54 7.019 -2.514 -10.134 1.00 0.00 C ATOM 923 NH1 ARG A 54 5.823 -2.421 -9.557 1.00 0.00 N ATOM 924 NH2 ARG A 54 7.143 -3.313 -11.177 1.00 0.00 N ATOM 0 H ARG A 54 8.027 0.416 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 54 8.475 -2.279 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.717 -0.161 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.430 0.083 -6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.590 -2.071 -7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.919 -2.441 -7.055 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.175 -0.471 -8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.845 -0.094 -8.784 1.00 0.00 H new ATOM 0 HE ARG A 54 8.978 -1.991 -10.238 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.693 -1.814 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.036 -2.957 -9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.046 -3.409 -11.641 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.336 -3.835 -11.519 1.00 0.00 H new