USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 20 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.11! F(o=-5.4,f=-1.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 118:sc= 0.394 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 89:sc= 0.00136 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -144:sc= -0.413 (180deg=-1.56!) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.42 USER MOD Single : A 78 ASN : amide:sc= -1.55 K(o=-1.6,f=-3.7!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -131:sc= -0.991 (180deg=-2.09!) USER MOD Single : A 85 SER OG : rot 153:sc= 0.825 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 92 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.3!) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 0.0813 (180deg=-0.797) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 18 -10.313 -1.195 6.715 1.00 0.00 N ATOM 213 CA GLU A 18 -11.080 -2.108 5.885 1.00 0.00 C ATOM 214 C GLU A 18 -11.373 -1.470 4.525 1.00 0.00 C ATOM 215 O GLU A 18 -11.942 -0.381 4.456 1.00 0.00 O ATOM 216 CB GLU A 18 -12.375 -2.527 6.583 1.00 0.00 C ATOM 217 CG GLU A 18 -13.395 -3.060 5.575 1.00 0.00 C ATOM 218 CD GLU A 18 -14.208 -4.210 6.172 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.215 -3.903 6.847 1.00 0.00 O ATOM 220 OE2 GLU A 18 -13.805 -5.370 5.941 1.00 0.00 O ATOM 0 HA GLU A 18 -10.485 -3.007 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.159 -3.294 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.797 -1.675 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.065 -2.256 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.880 -3.402 4.677 1.00 0.00 H new ATOM 227 N LEU A 19 -10.969 -2.174 3.478 1.00 0.00 N ATOM 228 CA LEU A 19 -11.181 -1.690 2.124 1.00 0.00 C ATOM 229 C LEU A 19 -12.682 -1.532 1.873 1.00 0.00 C ATOM 230 O LEU A 19 -13.495 -1.808 2.753 1.00 0.00 O ATOM 231 CB LEU A 19 -10.480 -2.601 1.114 1.00 0.00 C ATOM 232 CG LEU A 19 -8.951 -2.587 1.146 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.408 -1.204 0.780 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.426 -3.069 2.500 1.00 0.00 C ATOM 0 H LEU A 19 -10.496 -3.076 3.540 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.731 -0.705 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.818 -3.624 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.805 -2.318 0.113 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.587 -3.286 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.319 -1.221 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.739 -0.937 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.779 -0.467 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.336 -3.049 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.798 -2.414 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.770 -4.087 2.682 1.00 0.00 H new ATOM 246 N THR A 20 -13.003 -1.088 0.666 1.00 0.00 N ATOM 247 CA THR A 20 -14.392 -0.890 0.288 1.00 0.00 C ATOM 248 C THR A 20 -14.647 -1.445 -1.115 1.00 0.00 C ATOM 249 O THR A 20 -13.885 -2.278 -1.605 1.00 0.00 O ATOM 250 CB THR A 20 -14.709 0.601 0.418 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.860 1.222 -0.543 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.247 1.184 1.755 1.00 0.00 C ATOM 0 H THR A 20 -12.326 -0.860 -0.062 1.00 0.00 H new ATOM 0 HA THR A 20 -15.064 -1.439 0.948 1.00 0.00 H new ATOM 0 HB THR A 20 -15.782 0.754 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.002 2.191 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.496 2.244 1.795 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.747 0.663 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.168 1.061 1.852 1.00 0.00 H new ATOM 260 N GLU A 21 -15.720 -0.961 -1.723 1.00 0.00 N ATOM 261 CA GLU A 21 -16.085 -1.398 -3.059 1.00 0.00 C ATOM 262 C GLU A 21 -15.118 -0.813 -4.091 1.00 0.00 C ATOM 263 O GLU A 21 -14.728 -1.494 -5.038 1.00 0.00 O ATOM 264 CB GLU A 21 -17.530 -1.018 -3.385 1.00 0.00 C ATOM 265 CG GLU A 21 -18.255 -2.170 -4.085 1.00 0.00 C ATOM 266 CD GLU A 21 -19.344 -1.643 -5.022 1.00 0.00 C ATOM 267 OE1 GLU A 21 -20.459 -1.394 -4.513 1.00 0.00 O ATOM 268 OE2 GLU A 21 -19.038 -1.502 -6.225 1.00 0.00 O ATOM 0 H GLU A 21 -16.349 -0.270 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.013 -2.485 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.057 -0.756 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.542 -0.134 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.539 -2.764 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.699 -2.831 -3.341 1.00 0.00 H new ATOM 275 N ALA A 22 -14.760 0.444 -3.873 1.00 0.00 N ATOM 276 CA ALA A 22 -13.847 1.129 -4.773 1.00 0.00 C ATOM 277 C ALA A 22 -12.406 0.822 -4.360 1.00 0.00 C ATOM 278 O ALA A 22 -11.634 0.274 -5.145 1.00 0.00 O ATOM 279 CB ALA A 22 -14.150 2.628 -4.764 1.00 0.00 C ATOM 0 H ALA A 22 -15.085 1.006 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.979 0.777 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.465 3.142 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.176 2.794 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.025 3.018 -3.754 1.00 0.00 H new ATOM 285 N GLU A 23 -12.087 1.190 -3.127 1.00 0.00 N ATOM 286 CA GLU A 23 -10.752 0.961 -2.600 1.00 0.00 C ATOM 287 C GLU A 23 -10.229 -0.403 -3.053 1.00 0.00 C ATOM 288 O GLU A 23 -9.130 -0.502 -3.597 1.00 0.00 O ATOM 289 CB GLU A 23 -10.738 1.076 -1.075 1.00 0.00 C ATOM 290 CG GLU A 23 -10.382 2.497 -0.635 1.00 0.00 C ATOM 291 CD GLU A 23 -10.844 2.758 0.801 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.596 1.872 1.646 1.00 0.00 O ATOM 293 OE2 GLU A 23 -11.433 3.839 1.020 1.00 0.00 O ATOM 0 H GLU A 23 -12.730 1.645 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.089 1.731 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.715 0.803 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.017 0.372 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.304 2.645 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.848 3.217 -1.307 1.00 0.00 H new ATOM 300 N LEU A 24 -11.041 -1.422 -2.811 1.00 0.00 N ATOM 301 CA LEU A 24 -10.674 -2.777 -3.187 1.00 0.00 C ATOM 302 C LEU A 24 -10.095 -2.770 -4.603 1.00 0.00 C ATOM 303 O LEU A 24 -8.978 -3.235 -4.823 1.00 0.00 O ATOM 304 CB LEU A 24 -11.865 -3.722 -3.014 1.00 0.00 C ATOM 305 CG LEU A 24 -12.035 -4.339 -1.624 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.301 -5.196 -1.556 1.00 0.00 C ATOM 307 CD2 LEU A 24 -10.788 -5.125 -1.215 1.00 0.00 C ATOM 0 H LEU A 24 -11.952 -1.336 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.895 -3.158 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.775 -3.176 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.771 -4.530 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.154 -3.529 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.398 -5.623 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.172 -4.577 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.236 -6.000 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.936 -5.553 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.611 -5.926 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.927 -4.457 -1.197 1.00 0.00 H new ATOM 319 N VAL A 25 -10.882 -2.237 -5.527 1.00 0.00 N ATOM 320 CA VAL A 25 -10.461 -2.163 -6.915 1.00 0.00 C ATOM 321 C VAL A 25 -9.071 -1.529 -6.990 1.00 0.00 C ATOM 322 O VAL A 25 -8.186 -2.044 -7.672 1.00 0.00 O ATOM 323 CB VAL A 25 -11.507 -1.410 -7.739 1.00 0.00 C ATOM 324 CG1 VAL A 25 -11.055 -1.258 -9.193 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.870 -2.100 -7.658 1.00 0.00 C ATOM 0 H VAL A 25 -11.808 -1.853 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.385 -3.162 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.611 -0.411 -7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.817 -0.719 -9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.118 -0.702 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.908 -2.244 -9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.595 -1.544 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.787 -3.116 -8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.200 -2.132 -6.620 1.00 0.00 H new ATOM 335 N THR A 26 -8.922 -0.421 -6.279 1.00 0.00 N ATOM 336 CA THR A 26 -7.655 0.289 -6.257 1.00 0.00 C ATOM 337 C THR A 26 -6.559 -0.596 -5.660 1.00 0.00 C ATOM 338 O THR A 26 -5.451 -0.662 -6.192 1.00 0.00 O ATOM 339 CB THR A 26 -7.860 1.599 -5.493 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.562 2.431 -6.414 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.547 2.344 -5.244 1.00 0.00 C ATOM 0 H THR A 26 -9.658 0.002 -5.714 1.00 0.00 H new ATOM 0 HA THR A 26 -7.321 0.533 -7.265 1.00 0.00 H new ATOM 0 HB THR A 26 -8.345 1.391 -4.539 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.738 3.301 -6.000 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.749 3.266 -4.699 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.877 1.715 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.077 2.583 -6.198 1.00 0.00 H new ATOM 349 N ALA A 27 -6.905 -1.254 -4.564 1.00 0.00 N ATOM 350 CA ALA A 27 -5.964 -2.133 -3.890 1.00 0.00 C ATOM 351 C ALA A 27 -5.489 -3.210 -4.867 1.00 0.00 C ATOM 352 O ALA A 27 -4.380 -3.726 -4.735 1.00 0.00 O ATOM 353 CB ALA A 27 -6.623 -2.726 -2.643 1.00 0.00 C ATOM 0 H ALA A 27 -7.824 -1.196 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.086 -1.576 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.918 -3.385 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.915 -1.921 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.506 -3.294 -2.934 1.00 0.00 H new ATOM 359 N GLU A 28 -6.351 -3.517 -5.825 1.00 0.00 N ATOM 360 CA GLU A 28 -6.033 -4.523 -6.824 1.00 0.00 C ATOM 361 C GLU A 28 -5.116 -3.934 -7.897 1.00 0.00 C ATOM 362 O GLU A 28 -4.208 -4.609 -8.382 1.00 0.00 O ATOM 363 CB GLU A 28 -7.306 -5.099 -7.446 1.00 0.00 C ATOM 364 CG GLU A 28 -7.809 -6.304 -6.649 1.00 0.00 C ATOM 365 CD GLU A 28 -7.793 -7.573 -7.505 1.00 0.00 C ATOM 366 OE1 GLU A 28 -8.166 -7.461 -8.693 1.00 0.00 O ATOM 367 OE2 GLU A 28 -7.408 -8.626 -6.952 1.00 0.00 O ATOM 0 H GLU A 28 -7.270 -3.087 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.506 -5.341 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.079 -4.331 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.109 -5.396 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.184 -6.448 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.822 -6.113 -6.294 1.00 0.00 H new ATOM 374 N ALA A 29 -5.384 -2.682 -8.237 1.00 0.00 N ATOM 375 CA ALA A 29 -4.594 -1.995 -9.245 1.00 0.00 C ATOM 376 C ALA A 29 -3.143 -1.896 -8.769 1.00 0.00 C ATOM 377 O ALA A 29 -2.215 -2.128 -9.543 1.00 0.00 O ATOM 378 CB ALA A 29 -5.209 -0.623 -9.528 1.00 0.00 C ATOM 0 H ALA A 29 -6.137 -2.125 -7.833 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.597 -2.553 -10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.617 -0.108 -10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.229 -0.749 -9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.220 -0.033 -8.611 1.00 0.00 H new ATOM 384 N VAL A 30 -2.992 -1.551 -7.499 1.00 0.00 N ATOM 385 CA VAL A 30 -1.670 -1.419 -6.911 1.00 0.00 C ATOM 386 C VAL A 30 -0.987 -2.787 -6.890 1.00 0.00 C ATOM 387 O VAL A 30 0.180 -2.908 -7.262 1.00 0.00 O ATOM 388 CB VAL A 30 -1.776 -0.782 -5.523 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.462 -0.926 -4.753 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.195 0.686 -5.624 1.00 0.00 C ATOM 0 H VAL A 30 -3.764 -1.359 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.049 -0.755 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.549 -1.313 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.564 -0.465 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.223 -1.983 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.339 -0.432 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.263 1.115 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.455 1.236 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.166 0.754 -6.115 1.00 0.00 H new ATOM 400 N ARG A 31 -1.742 -3.784 -6.452 1.00 0.00 N ATOM 401 CA ARG A 31 -1.223 -5.139 -6.379 1.00 0.00 C ATOM 402 C ARG A 31 -0.543 -5.520 -7.695 1.00 0.00 C ATOM 403 O ARG A 31 0.483 -6.198 -7.695 1.00 0.00 O ATOM 404 CB ARG A 31 -2.341 -6.141 -6.081 1.00 0.00 C ATOM 405 CG ARG A 31 -1.792 -7.567 -5.998 1.00 0.00 C ATOM 406 CD ARG A 31 -2.691 -8.451 -5.132 1.00 0.00 C ATOM 407 NE ARG A 31 -3.501 -9.343 -5.991 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.000 -10.521 -5.591 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.774 -10.956 -4.344 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.724 -11.265 -6.439 1.00 0.00 N ATOM 0 H ARG A 31 -2.709 -3.680 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.495 -5.172 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.827 -5.880 -5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.101 -6.085 -6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.716 -7.990 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.785 -7.549 -5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.083 -9.044 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.345 -7.830 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.691 -9.043 -6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.222 -10.391 -3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.154 -11.852 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.895 -10.935 -7.389 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.104 -12.161 -6.135 1.00 0.00 H new ATOM 424 N SER A 32 -1.143 -5.067 -8.787 1.00 0.00 N ATOM 425 CA SER A 32 -0.608 -5.351 -10.107 1.00 0.00 C ATOM 426 C SER A 32 0.775 -4.714 -10.260 1.00 0.00 C ATOM 427 O SER A 32 1.632 -5.244 -10.964 1.00 0.00 O ATOM 428 CB SER A 32 -1.549 -4.847 -11.203 1.00 0.00 C ATOM 429 OG SER A 32 -0.997 -5.025 -12.504 1.00 0.00 O ATOM 0 H SER A 32 -1.994 -4.505 -8.784 1.00 0.00 H new ATOM 0 HA SER A 32 -0.516 -6.432 -10.213 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.499 -5.377 -11.137 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.761 -3.790 -11.041 1.00 0.00 H new ATOM 0 HG SER A 32 -1.628 -4.692 -13.176 1.00 0.00 H new ATOM 435 N VAL A 33 0.948 -3.585 -9.589 1.00 0.00 N ATOM 436 CA VAL A 33 2.212 -2.869 -9.642 1.00 0.00 C ATOM 437 C VAL A 33 3.316 -3.751 -9.056 1.00 0.00 C ATOM 438 O VAL A 33 4.392 -3.874 -9.640 1.00 0.00 O ATOM 439 CB VAL A 33 2.080 -1.522 -8.929 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.373 -0.712 -9.045 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.887 -0.731 -9.467 1.00 0.00 C ATOM 0 H VAL A 33 0.234 -3.148 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 33 2.485 -2.649 -10.674 1.00 0.00 H new ATOM 0 HB VAL A 33 1.901 -1.718 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.253 0.241 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.193 -1.269 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.596 -0.531 -10.096 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.816 0.222 -8.943 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.022 -0.550 -10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.029 -1.301 -9.309 1.00 0.00 H new ATOM 451 N TRP A 34 3.013 -4.341 -7.909 1.00 0.00 N ATOM 452 CA TRP A 34 3.967 -5.207 -7.238 1.00 0.00 C ATOM 453 C TRP A 34 4.285 -6.375 -8.174 1.00 0.00 C ATOM 454 O TRP A 34 5.444 -6.599 -8.522 1.00 0.00 O ATOM 455 CB TRP A 34 3.434 -5.660 -5.877 1.00 0.00 C ATOM 456 CG TRP A 34 3.390 -4.550 -4.826 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.022 -3.272 -4.990 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.743 -4.671 -3.432 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.111 -2.563 -3.809 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.564 -3.442 -2.831 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.199 -5.783 -2.702 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.817 -3.207 -1.474 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.447 -5.533 -1.347 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.272 -4.301 -0.728 1.00 0.00 C ATOM 0 H TRP A 34 2.120 -4.236 -7.427 1.00 0.00 H new ATOM 0 HA TRP A 34 4.891 -4.670 -7.024 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.430 -6.063 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.058 -6.473 -5.506 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.696 -2.849 -5.929 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.886 -1.577 -3.678 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.346 -6.754 -3.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.669 -2.235 -1.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.799 -6.355 -0.741 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.486 -4.188 0.324 1.00 0.00 H new ATOM 475 N GLN A 35 3.236 -7.089 -8.555 1.00 0.00 N ATOM 476 CA GLN A 35 3.389 -8.228 -9.444 1.00 0.00 C ATOM 477 C GLN A 35 4.198 -7.831 -10.681 1.00 0.00 C ATOM 478 O GLN A 35 5.219 -8.447 -10.983 1.00 0.00 O ATOM 479 CB GLN A 35 2.027 -8.801 -9.841 1.00 0.00 C ATOM 480 CG GLN A 35 1.496 -9.749 -8.763 1.00 0.00 C ATOM 481 CD GLN A 35 1.918 -11.192 -9.047 1.00 0.00 C ATOM 482 OE1 GLN A 35 3.146 -11.489 -8.631 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 1.177 -11.984 -9.606 1.00 0.00 N flip ATOM 0 H GLN A 35 2.277 -6.901 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 35 3.934 -9.008 -8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.318 -7.988 -9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.114 -9.334 -10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.871 -9.442 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.409 -9.686 -8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.245 -11.691 -9.900 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.489 -12.939 -9.779 1.00 0.00 H new ATOM 492 N ARG A 36 3.711 -6.806 -11.363 1.00 0.00 N ATOM 493 CA ARG A 36 4.376 -6.320 -12.561 1.00 0.00 C ATOM 494 C ARG A 36 5.847 -6.019 -12.266 1.00 0.00 C ATOM 495 O ARG A 36 6.708 -6.217 -13.121 1.00 0.00 O ATOM 496 CB ARG A 36 3.700 -5.054 -13.091 1.00 0.00 C ATOM 497 CG ARG A 36 2.639 -5.396 -14.139 1.00 0.00 C ATOM 498 CD ARG A 36 2.302 -4.175 -14.997 1.00 0.00 C ATOM 499 NE ARG A 36 1.933 -4.604 -16.365 1.00 0.00 N ATOM 500 CZ ARG A 36 2.808 -5.066 -17.268 1.00 0.00 C ATOM 501 NH1 ARG A 36 4.107 -5.163 -16.955 1.00 0.00 N ATOM 502 NH2 ARG A 36 2.384 -5.432 -18.486 1.00 0.00 N ATOM 0 H ARG A 36 2.864 -6.298 -11.110 1.00 0.00 H new ATOM 0 HA ARG A 36 4.306 -7.100 -13.319 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.239 -4.511 -12.266 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.449 -4.394 -13.529 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.999 -6.204 -14.776 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.737 -5.757 -13.644 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.479 -3.620 -14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.158 -3.501 -15.037 1.00 0.00 H new ATOM 0 HE ARG A 36 0.952 -4.544 -16.637 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.430 -4.885 -16.028 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.773 -5.515 -17.643 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.395 -5.359 -18.725 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.050 -5.784 -19.174 1.00 0.00 H new ATOM 516 N ILE A 37 6.089 -5.545 -11.052 1.00 0.00 N ATOM 517 CA ILE A 37 7.441 -5.215 -10.634 1.00 0.00 C ATOM 518 C ILE A 37 8.209 -6.506 -10.341 1.00 0.00 C ATOM 519 O ILE A 37 9.182 -6.822 -11.023 1.00 0.00 O ATOM 520 CB ILE A 37 7.414 -4.235 -9.460 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.052 -2.825 -9.930 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.738 -4.262 -8.693 1.00 0.00 C ATOM 523 CD1 ILE A 37 6.713 -1.921 -8.743 1.00 0.00 C ATOM 0 H ILE A 37 5.372 -5.382 -10.345 1.00 0.00 H new ATOM 0 HA ILE A 37 7.973 -4.702 -11.435 1.00 0.00 H new ATOM 0 HB ILE A 37 6.634 -4.553 -8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.885 -2.399 -10.489 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.202 -2.872 -10.610 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.692 -3.556 -7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.914 -5.266 -8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.552 -3.983 -9.362 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.459 -0.925 -9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.864 -2.337 -8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.574 -1.857 -8.077 1.00 0.00 H new ATOM 535 N LEU A 38 7.742 -7.217 -9.325 1.00 0.00 N ATOM 536 CA LEU A 38 8.372 -8.466 -8.933 1.00 0.00 C ATOM 537 C LEU A 38 7.988 -9.561 -9.930 1.00 0.00 C ATOM 538 O LEU A 38 6.823 -9.946 -10.016 1.00 0.00 O ATOM 539 CB LEU A 38 8.028 -8.807 -7.481 1.00 0.00 C ATOM 540 CG LEU A 38 8.314 -7.714 -6.449 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.339 -7.803 -5.273 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.773 -7.761 -5.990 1.00 0.00 C ATOM 0 H LEU A 38 6.934 -6.952 -8.761 1.00 0.00 H new ATOM 0 HA LEU A 38 9.457 -8.372 -8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.969 -9.060 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.583 -9.701 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 38 8.158 -6.746 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.564 -7.015 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.319 -7.682 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.439 -8.775 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.949 -6.974 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.981 -8.731 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.429 -7.612 -6.847 1.00 0.00 H new ATOM 554 N PRO A 39 9.016 -10.044 -10.677 1.00 0.00 N ATOM 555 CA PRO A 39 8.798 -11.087 -11.665 1.00 0.00 C ATOM 556 C PRO A 39 8.603 -12.447 -10.991 1.00 0.00 C ATOM 557 O PRO A 39 7.506 -13.004 -11.015 1.00 0.00 O ATOM 558 CB PRO A 39 10.023 -11.040 -12.564 1.00 0.00 C ATOM 559 CG PRO A 39 11.089 -10.294 -11.777 1.00 0.00 C ATOM 560 CD PRO A 39 10.409 -9.612 -10.602 1.00 0.00 C ATOM 0 HA PRO A 39 7.889 -10.933 -12.246 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.358 -12.045 -12.820 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.800 -10.530 -13.501 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.857 -10.983 -11.426 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.586 -9.559 -12.410 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.864 -9.906 -9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.491 -8.527 -10.672 1.00 0.00 H new ATOM 568 N LYS A 40 9.683 -12.943 -10.407 1.00 0.00 N ATOM 569 CA LYS A 40 9.645 -14.227 -9.728 1.00 0.00 C ATOM 570 C LYS A 40 8.345 -14.338 -8.929 1.00 0.00 C ATOM 571 O LYS A 40 7.717 -15.395 -8.900 1.00 0.00 O ATOM 572 CB LYS A 40 10.905 -14.425 -8.884 1.00 0.00 C ATOM 573 CG LYS A 40 12.145 -14.553 -9.771 1.00 0.00 C ATOM 574 CD LYS A 40 13.372 -14.943 -8.944 1.00 0.00 C ATOM 575 CE LYS A 40 13.905 -13.745 -8.156 1.00 0.00 C ATOM 576 NZ LYS A 40 15.285 -13.418 -8.580 1.00 0.00 N ATOM 0 H LYS A 40 10.591 -12.479 -10.390 1.00 0.00 H new ATOM 0 HA LYS A 40 9.645 -15.041 -10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.026 -13.583 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.799 -15.319 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.969 -15.302 -10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.331 -13.608 -10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.111 -15.748 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.152 -15.326 -9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.257 -12.883 -8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.889 -13.968 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.632 -12.603 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.904 -14.236 -8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.291 -13.185 -9.594 1.00 0.00 H new ATOM 590 N VAL A 41 7.979 -13.231 -8.299 1.00 0.00 N ATOM 591 CA VAL A 41 6.765 -13.190 -7.501 1.00 0.00 C ATOM 592 C VAL A 41 5.565 -13.521 -8.390 1.00 0.00 C ATOM 593 O VAL A 41 5.281 -12.804 -9.348 1.00 0.00 O ATOM 594 CB VAL A 41 6.640 -11.832 -6.808 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.307 -11.717 -6.065 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.818 -11.588 -5.863 1.00 0.00 C ATOM 0 H VAL A 41 8.502 -12.356 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 41 6.801 -13.940 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 41 6.663 -11.060 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.243 -10.742 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.485 -11.825 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.242 -12.501 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.704 -10.616 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.841 -12.368 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.749 -11.606 -6.430 1.00 0.00 H new ATOM 606 N LEU A 42 4.892 -14.607 -8.041 1.00 0.00 N ATOM 607 CA LEU A 42 3.728 -15.042 -8.795 1.00 0.00 C ATOM 608 C LEU A 42 2.468 -14.435 -8.175 1.00 0.00 C ATOM 609 O LEU A 42 1.457 -14.267 -8.855 1.00 0.00 O ATOM 610 CB LEU A 42 3.692 -16.568 -8.891 1.00 0.00 C ATOM 611 CG LEU A 42 4.606 -17.196 -9.946 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.382 -18.379 -9.364 1.00 0.00 C ATOM 613 CD2 LEU A 42 3.814 -17.588 -11.195 1.00 0.00 C ATOM 0 H LEU A 42 5.130 -15.199 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 42 3.783 -14.682 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.958 -16.980 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.667 -16.875 -9.098 1.00 0.00 H new ATOM 0 HG LEU A 42 5.339 -16.449 -10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.024 -18.807 -10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.995 -18.037 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.681 -19.137 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.487 -18.032 -11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.044 -18.311 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.346 -16.701 -11.622 1.00 0.00 H new ATOM 625 N GLU A 43 2.570 -14.122 -6.892 1.00 0.00 N ATOM 626 CA GLU A 43 1.451 -13.537 -6.172 1.00 0.00 C ATOM 627 C GLU A 43 1.951 -12.495 -5.169 1.00 0.00 C ATOM 628 O GLU A 43 3.053 -12.621 -4.636 1.00 0.00 O ATOM 629 CB GLU A 43 0.623 -14.617 -5.474 1.00 0.00 C ATOM 630 CG GLU A 43 1.378 -15.198 -4.277 1.00 0.00 C ATOM 631 CD GLU A 43 1.099 -16.695 -4.126 1.00 0.00 C ATOM 632 OE1 GLU A 43 -0.099 -17.044 -4.051 1.00 0.00 O ATOM 633 OE2 GLU A 43 2.090 -17.456 -4.090 1.00 0.00 O ATOM 0 H GLU A 43 3.411 -14.262 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 43 0.803 -13.038 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.325 -14.195 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.387 -15.413 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.448 -15.035 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.082 -14.676 -3.367 1.00 0.00 H new ATOM 640 N VAL A 44 1.118 -11.491 -4.943 1.00 0.00 N ATOM 641 CA VAL A 44 1.461 -10.428 -4.013 1.00 0.00 C ATOM 642 C VAL A 44 0.391 -10.345 -2.923 1.00 0.00 C ATOM 643 O VAL A 44 -0.504 -9.504 -2.989 1.00 0.00 O ATOM 644 CB VAL A 44 1.648 -9.111 -4.769 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.361 -7.913 -3.863 1.00 0.00 C ATOM 646 CG2 VAL A 44 3.051 -9.020 -5.372 1.00 0.00 C ATOM 0 H VAL A 44 0.206 -11.390 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 44 2.410 -10.642 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 44 0.929 -9.090 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.501 -6.990 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.333 -7.966 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.044 -7.928 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.158 -8.075 -5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.793 -9.074 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.203 -9.846 -6.067 1.00 0.00 H new ATOM 656 N GLU A 45 0.519 -11.228 -1.944 1.00 0.00 N ATOM 657 CA GLU A 45 -0.425 -11.265 -0.840 1.00 0.00 C ATOM 658 C GLU A 45 -0.228 -10.050 0.068 1.00 0.00 C ATOM 659 O GLU A 45 0.612 -9.194 -0.207 1.00 0.00 O ATOM 660 CB GLU A 45 -0.294 -12.568 -0.050 1.00 0.00 C ATOM 661 CG GLU A 45 1.167 -12.847 0.310 1.00 0.00 C ATOM 662 CD GLU A 45 1.665 -14.123 -0.372 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.040 -15.178 -0.129 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.659 -14.015 -1.122 1.00 0.00 O ATOM 0 H GLU A 45 1.263 -11.924 -1.892 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.435 -11.227 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.891 -12.507 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.692 -13.395 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.787 -12.003 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.267 -12.945 1.391 1.00 0.00 H new ATOM 671 N ASP A 46 -1.016 -10.013 1.133 1.00 0.00 N ATOM 672 CA ASP A 46 -0.938 -8.917 2.083 1.00 0.00 C ATOM 673 C ASP A 46 0.259 -9.135 3.010 1.00 0.00 C ATOM 674 O ASP A 46 0.592 -8.267 3.815 1.00 0.00 O ATOM 675 CB ASP A 46 -2.199 -8.848 2.948 1.00 0.00 C ATOM 676 CG ASP A 46 -3.497 -8.597 2.179 1.00 0.00 C ATOM 677 OD1 ASP A 46 -3.701 -7.433 1.773 1.00 0.00 O ATOM 678 OD2 ASP A 46 -4.257 -9.576 2.015 1.00 0.00 O ATOM 0 H ASP A 46 -1.711 -10.724 1.358 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.835 -7.989 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.296 -9.784 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.072 -8.056 3.686 1.00 0.00 H new ATOM 683 N SER A 47 0.874 -10.300 2.865 1.00 0.00 N ATOM 684 CA SER A 47 2.028 -10.643 3.679 1.00 0.00 C ATOM 685 C SER A 47 3.300 -10.596 2.831 1.00 0.00 C ATOM 686 O SER A 47 4.407 -10.683 3.360 1.00 0.00 O ATOM 687 CB SER A 47 1.864 -12.026 4.312 1.00 0.00 C ATOM 688 OG SER A 47 2.018 -11.987 5.728 1.00 0.00 O ATOM 0 H SER A 47 0.595 -11.018 2.196 1.00 0.00 H new ATOM 0 HA SER A 47 2.108 -9.912 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.879 -12.423 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.599 -12.709 3.886 1.00 0.00 H new ATOM 0 HG SER A 47 1.904 -12.889 6.094 1.00 0.00 H new ATOM 694 N THR A 48 3.100 -10.458 1.528 1.00 0.00 N ATOM 695 CA THR A 48 4.217 -10.398 0.601 1.00 0.00 C ATOM 696 C THR A 48 5.044 -9.134 0.844 1.00 0.00 C ATOM 697 O THR A 48 4.523 -8.023 0.767 1.00 0.00 O ATOM 698 CB THR A 48 3.658 -10.495 -0.820 1.00 0.00 C ATOM 699 OG1 THR A 48 3.916 -11.843 -1.203 1.00 0.00 O ATOM 700 CG2 THR A 48 4.459 -9.662 -1.822 1.00 0.00 C ATOM 0 H THR A 48 2.180 -10.386 1.093 1.00 0.00 H new ATOM 0 HA THR A 48 4.903 -11.231 0.753 1.00 0.00 H new ATOM 0 HB THR A 48 2.619 -10.167 -0.825 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.067 -12.303 -1.372 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.020 -9.766 -2.814 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.437 -8.614 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.491 -10.012 -1.843 1.00 0.00 H new ATOM 708 N ASP A 49 6.320 -9.346 1.132 1.00 0.00 N ATOM 709 CA ASP A 49 7.224 -8.238 1.386 1.00 0.00 C ATOM 710 C ASP A 49 7.751 -7.699 0.055 1.00 0.00 C ATOM 711 O ASP A 49 8.226 -8.463 -0.784 1.00 0.00 O ATOM 712 CB ASP A 49 8.424 -8.687 2.223 1.00 0.00 C ATOM 713 CG ASP A 49 8.628 -7.915 3.528 1.00 0.00 C ATOM 714 OD1 ASP A 49 7.968 -8.294 4.520 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.438 -6.964 3.504 1.00 0.00 O ATOM 0 H ASP A 49 6.749 -10.269 1.195 1.00 0.00 H new ATOM 0 HA ASP A 49 6.672 -7.471 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.308 -9.745 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.326 -8.592 1.618 1.00 0.00 H new ATOM 720 N PHE A 50 7.648 -6.387 -0.098 1.00 0.00 N ATOM 721 CA PHE A 50 8.108 -5.737 -1.314 1.00 0.00 C ATOM 722 C PHE A 50 9.629 -5.836 -1.447 1.00 0.00 C ATOM 723 O PHE A 50 10.173 -5.666 -2.537 1.00 0.00 O ATOM 724 CB PHE A 50 7.711 -4.263 -1.210 1.00 0.00 C ATOM 725 CG PHE A 50 8.038 -3.442 -2.459 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.467 -3.760 -3.651 1.00 0.00 C ATOM 727 CD2 PHE A 50 8.901 -2.393 -2.376 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.770 -2.997 -4.810 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.204 -1.631 -3.535 1.00 0.00 C ATOM 730 CZ PHE A 50 8.633 -1.949 -4.728 1.00 0.00 C ATOM 0 H PHE A 50 7.253 -5.756 0.600 1.00 0.00 H new ATOM 0 HA PHE A 50 7.663 -6.218 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.641 -4.198 -1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.219 -3.820 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.783 -4.593 -3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.355 -2.140 -1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.315 -3.249 -5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.888 -0.798 -3.469 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.865 -1.370 -5.609 1.00 0.00 H new ATOM 740 N PHE A 51 10.272 -6.111 -0.322 1.00 0.00 N ATOM 741 CA PHE A 51 11.720 -6.235 -0.298 1.00 0.00 C ATOM 742 C PHE A 51 12.149 -7.691 -0.486 1.00 0.00 C ATOM 743 O PHE A 51 12.765 -8.036 -1.493 1.00 0.00 O ATOM 744 CB PHE A 51 12.188 -5.750 1.075 1.00 0.00 C ATOM 745 CG PHE A 51 11.860 -4.284 1.363 1.00 0.00 C ATOM 746 CD1 PHE A 51 11.884 -3.372 0.355 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.546 -3.893 2.627 1.00 0.00 C ATOM 748 CE1 PHE A 51 11.579 -2.010 0.622 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.242 -2.532 2.894 1.00 0.00 C ATOM 750 CZ PHE A 51 11.265 -1.619 1.886 1.00 0.00 C ATOM 0 H PHE A 51 9.817 -6.252 0.580 1.00 0.00 H new ATOM 0 HA PHE A 51 12.157 -5.649 -1.107 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.730 -6.372 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.266 -5.892 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.135 -3.683 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.528 -4.618 3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.597 -1.286 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.992 -2.222 3.898 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.034 -0.584 2.089 1.00 0.00 H new ATOM 760 N LYS A 52 11.805 -8.508 0.500 1.00 0.00 N ATOM 761 CA LYS A 52 12.147 -9.919 0.456 1.00 0.00 C ATOM 762 C LYS A 52 11.954 -10.442 -0.969 1.00 0.00 C ATOM 763 O LYS A 52 12.803 -11.165 -1.489 1.00 0.00 O ATOM 764 CB LYS A 52 11.353 -10.695 1.509 1.00 0.00 C ATOM 765 CG LYS A 52 12.014 -10.586 2.884 1.00 0.00 C ATOM 766 CD LYS A 52 11.998 -9.141 3.387 1.00 0.00 C ATOM 767 CE LYS A 52 12.532 -9.052 4.818 1.00 0.00 C ATOM 768 NZ LYS A 52 13.293 -7.797 5.011 1.00 0.00 N ATOM 0 H LYS A 52 11.293 -8.219 1.334 1.00 0.00 H new ATOM 0 HA LYS A 52 13.197 -10.065 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.335 -10.309 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.283 -11.743 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.492 -11.228 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.042 -10.944 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.603 -8.517 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.981 -8.751 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.703 -9.094 5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.173 -9.909 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.648 -7.753 5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.095 -7.772 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.671 -6.983 4.832 1.00 0.00 H new ATOM 782 N SER A 53 10.833 -10.057 -1.560 1.00 0.00 N ATOM 783 CA SER A 53 10.518 -10.478 -2.914 1.00 0.00 C ATOM 784 C SER A 53 11.764 -10.379 -3.796 1.00 0.00 C ATOM 785 O SER A 53 12.435 -11.379 -4.044 1.00 0.00 O ATOM 786 CB SER A 53 9.382 -9.637 -3.502 1.00 0.00 C ATOM 787 OG SER A 53 8.103 -10.087 -3.065 1.00 0.00 O ATOM 0 H SER A 53 10.131 -9.458 -1.126 1.00 0.00 H new ATOM 0 HA SER A 53 10.186 -11.516 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.517 -8.594 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.428 -9.676 -4.590 1.00 0.00 H new ATOM 0 HG SER A 53 7.866 -9.636 -2.228 1.00 0.00 H new ATOM 793 N GLY A 54 12.035 -9.163 -4.247 1.00 0.00 N ATOM 794 CA GLY A 54 13.189 -8.919 -5.096 1.00 0.00 C ATOM 795 C GLY A 54 13.151 -7.506 -5.681 1.00 0.00 C ATOM 796 O GLY A 54 13.480 -7.305 -6.849 1.00 0.00 O ATOM 0 H GLY A 54 11.475 -8.336 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.104 -9.053 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.212 -9.650 -5.904 1.00 0.00 H new ATOM 800 N ALA A 55 12.747 -6.564 -4.842 1.00 0.00 N ATOM 801 CA ALA A 55 12.662 -5.175 -5.262 1.00 0.00 C ATOM 802 C ALA A 55 14.006 -4.489 -5.015 1.00 0.00 C ATOM 803 O ALA A 55 14.689 -4.787 -4.036 1.00 0.00 O ATOM 804 CB ALA A 55 11.512 -4.488 -4.522 1.00 0.00 C ATOM 0 H ALA A 55 12.475 -6.735 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 55 12.449 -5.109 -6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.448 -3.446 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.576 -4.995 -4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.693 -4.532 -3.448 1.00 0.00 H new ATOM 810 N ALA A 56 14.347 -3.582 -5.919 1.00 0.00 N ATOM 811 CA ALA A 56 15.598 -2.851 -5.811 1.00 0.00 C ATOM 812 C ALA A 56 15.317 -1.444 -5.278 1.00 0.00 C ATOM 813 O ALA A 56 14.216 -1.163 -4.808 1.00 0.00 O ATOM 814 CB ALA A 56 16.296 -2.830 -7.173 1.00 0.00 C ATOM 0 H ALA A 56 13.778 -3.337 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 56 16.270 -3.342 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.235 -2.282 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.499 -3.852 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.652 -2.342 -7.904 1.00 0.00 H new ATOM 820 N SER A 57 16.333 -0.598 -5.369 1.00 0.00 N ATOM 821 CA SER A 57 16.209 0.772 -4.902 1.00 0.00 C ATOM 822 C SER A 57 15.342 1.579 -5.870 1.00 0.00 C ATOM 823 O SER A 57 14.800 2.621 -5.503 1.00 0.00 O ATOM 824 CB SER A 57 17.583 1.427 -4.747 1.00 0.00 C ATOM 825 OG SER A 57 17.529 2.597 -3.934 1.00 0.00 O ATOM 0 H SER A 57 17.245 -0.835 -5.759 1.00 0.00 H new ATOM 0 HA SER A 57 15.731 0.758 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.278 0.712 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.974 1.687 -5.731 1.00 0.00 H new ATOM 0 HG SER A 57 18.426 2.984 -3.858 1.00 0.00 H new ATOM 831 N VAL A 58 15.239 1.068 -7.088 1.00 0.00 N ATOM 832 CA VAL A 58 14.447 1.728 -8.112 1.00 0.00 C ATOM 833 C VAL A 58 12.982 1.315 -7.963 1.00 0.00 C ATOM 834 O VAL A 58 12.080 2.120 -8.190 1.00 0.00 O ATOM 835 CB VAL A 58 15.018 1.418 -9.497 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.519 1.128 -9.419 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.269 0.255 -10.151 1.00 0.00 C ATOM 0 H VAL A 58 15.691 0.204 -7.389 1.00 0.00 H new ATOM 0 HA VAL A 58 14.493 2.810 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 58 14.879 2.300 -10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 58 16.900 0.911 -10.417 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.037 1.997 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.690 0.269 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.695 0.055 -11.134 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.362 -0.634 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.216 0.515 -10.258 1.00 0.00 H new ATOM 847 N ASP A 59 12.790 0.060 -7.584 1.00 0.00 N ATOM 848 CA ASP A 59 11.449 -0.470 -7.402 1.00 0.00 C ATOM 849 C ASP A 59 10.698 0.391 -6.384 1.00 0.00 C ATOM 850 O ASP A 59 9.488 0.576 -6.496 1.00 0.00 O ATOM 851 CB ASP A 59 11.491 -1.904 -6.870 1.00 0.00 C ATOM 852 CG ASP A 59 11.813 -2.973 -7.916 1.00 0.00 C ATOM 853 OD1 ASP A 59 12.680 -2.689 -8.769 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.184 -4.050 -7.838 1.00 0.00 O ATOM 0 H ASP A 59 13.540 -0.605 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 59 10.948 -0.459 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.235 -1.959 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.526 -2.137 -6.420 1.00 0.00 H new ATOM 859 N VAL A 60 11.449 0.893 -5.414 1.00 0.00 N ATOM 860 CA VAL A 60 10.869 1.730 -4.377 1.00 0.00 C ATOM 861 C VAL A 60 10.293 2.996 -5.013 1.00 0.00 C ATOM 862 O VAL A 60 9.114 3.301 -4.840 1.00 0.00 O ATOM 863 CB VAL A 60 11.913 2.024 -3.298 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.382 3.037 -2.283 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.362 0.736 -2.604 1.00 0.00 C ATOM 0 H VAL A 60 12.453 0.736 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 60 10.047 1.212 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 60 12.784 2.463 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.144 3.228 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.135 3.968 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.488 2.638 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.104 0.973 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.502 0.256 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.800 0.060 -3.339 1.00 0.00 H new ATOM 875 N VAL A 61 11.152 3.701 -5.734 1.00 0.00 N ATOM 876 CA VAL A 61 10.743 4.929 -6.396 1.00 0.00 C ATOM 877 C VAL A 61 9.762 4.593 -7.522 1.00 0.00 C ATOM 878 O VAL A 61 8.806 5.331 -7.756 1.00 0.00 O ATOM 879 CB VAL A 61 11.974 5.695 -6.885 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.598 7.109 -7.331 1.00 0.00 C ATOM 881 CG2 VAL A 61 13.061 5.730 -5.808 1.00 0.00 C ATOM 0 H VAL A 61 12.129 3.446 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 61 10.225 5.586 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 61 12.376 5.167 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.491 7.632 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.875 7.054 -8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.160 7.651 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.925 6.280 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.674 6.223 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.359 4.712 -5.559 1.00 0.00 H new ATOM 891 N ARG A 62 10.033 3.480 -8.187 1.00 0.00 N ATOM 892 CA ARG A 62 9.186 3.039 -9.283 1.00 0.00 C ATOM 893 C ARG A 62 7.786 2.699 -8.767 1.00 0.00 C ATOM 894 O ARG A 62 6.788 3.035 -9.404 1.00 0.00 O ATOM 895 CB ARG A 62 9.779 1.810 -9.976 1.00 0.00 C ATOM 896 CG ARG A 62 8.693 1.013 -10.701 1.00 0.00 C ATOM 897 CD ARG A 62 9.306 0.059 -11.728 1.00 0.00 C ATOM 898 NE ARG A 62 8.264 -0.846 -12.264 1.00 0.00 N ATOM 899 CZ ARG A 62 8.476 -1.739 -13.240 1.00 0.00 C ATOM 900 NH1 ARG A 62 9.691 -1.854 -13.792 1.00 0.00 N ATOM 901 NH2 ARG A 62 7.471 -2.519 -13.663 1.00 0.00 N ATOM 0 H ARG A 62 10.826 2.870 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 62 9.124 3.854 -10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.543 2.123 -10.688 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.271 1.175 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.108 0.446 -9.977 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.006 1.697 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.758 0.628 -12.540 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.102 -0.524 -11.265 1.00 0.00 H new ATOM 0 HE ARG A 62 7.327 -0.786 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.456 -1.261 -13.469 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.851 -2.534 -14.535 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.546 -2.432 -13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.631 -3.199 -14.406 1.00 0.00 H new ATOM 915 N LEU A 63 7.757 2.039 -7.619 1.00 0.00 N ATOM 916 CA LEU A 63 6.495 1.651 -7.011 1.00 0.00 C ATOM 917 C LEU A 63 5.719 2.907 -6.611 1.00 0.00 C ATOM 918 O LEU A 63 4.586 3.106 -7.046 1.00 0.00 O ATOM 919 CB LEU A 63 6.735 0.681 -5.852 1.00 0.00 C ATOM 920 CG LEU A 63 5.622 0.598 -4.806 1.00 0.00 C ATOM 921 CD1 LEU A 63 4.366 -0.050 -5.391 1.00 0.00 C ATOM 922 CD2 LEU A 63 6.106 -0.124 -3.547 1.00 0.00 C ATOM 0 H LEU A 63 8.587 1.763 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 63 5.877 1.109 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.893 -0.315 -6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.658 0.968 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 63 5.353 1.613 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.591 -0.097 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.010 0.543 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.601 -1.059 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.296 -0.169 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.419 -1.136 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.949 0.418 -3.118 1.00 0.00 H new ATOM 934 N VAL A 64 6.360 3.723 -5.787 1.00 0.00 N ATOM 935 CA VAL A 64 5.744 4.954 -5.323 1.00 0.00 C ATOM 936 C VAL A 64 5.315 5.790 -6.530 1.00 0.00 C ATOM 937 O VAL A 64 4.244 6.395 -6.522 1.00 0.00 O ATOM 938 CB VAL A 64 6.701 5.699 -4.389 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.013 6.906 -3.749 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.267 4.760 -3.322 1.00 0.00 C ATOM 0 H VAL A 64 7.300 3.555 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 64 4.848 4.737 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 64 7.535 6.067 -4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.715 7.418 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.681 7.592 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.152 6.570 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.944 5.314 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.450 4.348 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.811 3.948 -3.804 1.00 0.00 H new ATOM 950 N GLU A 65 6.173 5.798 -7.540 1.00 0.00 N ATOM 951 CA GLU A 65 5.896 6.551 -8.751 1.00 0.00 C ATOM 952 C GLU A 65 4.653 5.994 -9.449 1.00 0.00 C ATOM 953 O GLU A 65 3.827 6.754 -9.952 1.00 0.00 O ATOM 954 CB GLU A 65 7.103 6.540 -9.691 1.00 0.00 C ATOM 955 CG GLU A 65 8.181 7.514 -9.210 1.00 0.00 C ATOM 956 CD GLU A 65 8.184 8.789 -10.056 1.00 0.00 C ATOM 957 OE1 GLU A 65 8.864 8.773 -11.105 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.507 9.752 -9.634 1.00 0.00 O ATOM 0 H GLU A 65 7.060 5.295 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 65 5.701 7.587 -8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.516 5.533 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.787 6.811 -10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.007 7.767 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.159 7.035 -9.263 1.00 0.00 H new ATOM 965 N GLU A 66 4.560 4.673 -9.458 1.00 0.00 N ATOM 966 CA GLU A 66 3.432 4.006 -10.085 1.00 0.00 C ATOM 967 C GLU A 66 2.135 4.354 -9.352 1.00 0.00 C ATOM 968 O GLU A 66 1.187 4.848 -9.961 1.00 0.00 O ATOM 969 CB GLU A 66 3.647 2.492 -10.131 1.00 0.00 C ATOM 970 CG GLU A 66 4.556 2.102 -11.299 1.00 0.00 C ATOM 971 CD GLU A 66 3.908 1.016 -12.159 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.126 1.395 -13.058 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.209 -0.169 -11.899 1.00 0.00 O ATOM 0 H GLU A 66 5.248 4.046 -9.041 1.00 0.00 H new ATOM 0 HA GLU A 66 3.351 4.360 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.089 2.155 -9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.686 1.987 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.764 2.980 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.513 1.746 -10.917 1.00 0.00 H new ATOM 980 N VAL A 67 2.134 4.082 -8.056 1.00 0.00 N ATOM 981 CA VAL A 67 0.969 4.360 -7.233 1.00 0.00 C ATOM 982 C VAL A 67 0.638 5.852 -7.313 1.00 0.00 C ATOM 983 O VAL A 67 -0.497 6.254 -7.062 1.00 0.00 O ATOM 984 CB VAL A 67 1.211 3.877 -5.802 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.022 4.112 -4.928 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.623 2.404 -5.783 1.00 0.00 C ATOM 0 H VAL A 67 2.922 3.672 -7.555 1.00 0.00 H new ATOM 0 HA VAL A 67 0.101 3.814 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 67 2.033 4.460 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.177 3.760 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.252 5.177 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.870 3.567 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.789 2.086 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.832 1.799 -6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.542 2.276 -6.355 1.00 0.00 H new ATOM 996 N LYS A 68 1.651 6.632 -7.663 1.00 0.00 N ATOM 997 CA LYS A 68 1.482 8.070 -7.778 1.00 0.00 C ATOM 998 C LYS A 68 0.485 8.374 -8.899 1.00 0.00 C ATOM 999 O LYS A 68 -0.381 9.234 -8.748 1.00 0.00 O ATOM 1000 CB LYS A 68 2.837 8.756 -7.958 1.00 0.00 C ATOM 1001 CG LYS A 68 3.177 9.627 -6.747 1.00 0.00 C ATOM 1002 CD LYS A 68 4.591 9.336 -6.241 1.00 0.00 C ATOM 1003 CE LYS A 68 5.294 10.623 -5.807 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.287 11.614 -6.907 1.00 0.00 N ATOM 0 H LYS A 68 2.591 6.295 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 68 1.063 8.479 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.613 8.004 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.821 9.370 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.093 10.680 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.457 9.444 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.545 8.642 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.169 8.849 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.796 11.039 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.321 10.403 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.178 12.151 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.191 11.121 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.487 12.267 -6.781 1.00 0.00 H new ATOM 1018 N GLU A 69 0.642 7.652 -9.999 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.233 7.833 -11.144 1.00 0.00 C ATOM 1020 C GLU A 69 -1.639 7.321 -10.824 1.00 0.00 C ATOM 1021 O GLU A 69 -2.616 7.759 -11.431 1.00 0.00 O ATOM 1022 CB GLU A 69 0.334 7.138 -12.383 1.00 0.00 C ATOM 1023 CG GLU A 69 1.777 7.574 -12.644 1.00 0.00 C ATOM 1024 CD GLU A 69 1.859 8.501 -13.858 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.346 8.091 -14.921 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.433 9.600 -13.695 1.00 0.00 O ATOM 0 H GLU A 69 1.363 6.940 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.296 8.899 -11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.296 6.057 -12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.283 7.373 -13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.171 8.084 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.402 6.696 -12.810 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.698 6.402 -9.872 1.00 0.00 N ATOM 1034 CA LEU A 70 -2.968 5.827 -9.464 1.00 0.00 C ATOM 1035 C LEU A 70 -3.838 6.916 -8.834 1.00 0.00 C ATOM 1036 O LEU A 70 -4.999 7.080 -9.205 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.741 4.618 -8.553 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.486 3.285 -9.259 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.384 2.140 -8.249 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.552 3.016 -10.324 1.00 0.00 C ATOM 0 H LEU A 70 -0.886 6.041 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.510 5.448 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.891 4.831 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.613 4.504 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.526 3.348 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.203 1.204 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.561 2.334 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.316 2.065 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.347 2.062 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.535 2.980 -9.854 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.534 3.814 -11.067 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.243 7.633 -7.892 1.00 0.00 N ATOM 1053 CA CYS A 71 -3.949 8.703 -7.207 1.00 0.00 C ATOM 1054 C CYS A 71 -3.638 10.019 -7.923 1.00 0.00 C ATOM 1055 O CYS A 71 -4.139 11.073 -7.535 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.585 8.760 -5.722 1.00 0.00 C ATOM 1057 SG CYS A 71 -4.966 9.488 -4.767 1.00 0.00 S ATOM 0 H CYS A 71 -2.280 7.494 -7.587 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.022 8.516 -7.243 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.366 7.758 -5.354 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.682 9.355 -5.583 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.648 9.530 -3.507 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.813 9.914 -8.954 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.430 11.083 -9.727 1.00 0.00 C ATOM 1065 C ASP A 72 -1.709 12.078 -8.816 1.00 0.00 C ATOM 1066 O ASP A 72 -2.229 13.156 -8.533 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.658 11.783 -10.313 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.374 13.123 -10.995 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.382 13.175 -11.754 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.156 14.065 -10.743 1.00 0.00 O ATOM 0 H ASP A 72 -2.399 9.038 -9.272 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.782 10.752 -10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.127 11.116 -11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.381 11.945 -9.514 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.522 11.680 -8.381 1.00 0.00 N ATOM 1076 CA GLY A 73 0.276 12.523 -7.507 1.00 0.00 C ATOM 1077 C GLY A 73 0.105 12.113 -6.043 1.00 0.00 C ATOM 1078 O GLY A 73 0.025 12.966 -5.160 1.00 0.00 O ATOM 0 H GLY A 73 -0.094 10.785 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.327 12.452 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.018 13.565 -7.633 1.00 0.00 H new ATOM 1082 N LEU A 74 0.056 10.806 -5.830 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.104 10.271 -4.489 1.00 0.00 C ATOM 1084 C LEU A 74 1.031 10.786 -3.601 1.00 0.00 C ATOM 1085 O LEU A 74 2.184 10.835 -4.027 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.209 8.746 -4.529 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.538 8.061 -3.200 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.869 8.565 -2.639 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.518 6.538 -3.349 1.00 0.00 C ATOM 0 H LEU A 74 0.124 10.102 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.038 10.620 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.975 8.473 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.736 8.346 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 74 0.236 8.324 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.079 8.063 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.810 9.641 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.668 8.351 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.755 6.076 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.257 6.235 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.472 6.217 -3.672 1.00 0.00 H new ATOM 1101 N GLU A 75 0.665 11.158 -2.383 1.00 0.00 N ATOM 1102 CA GLU A 75 1.638 11.667 -1.432 1.00 0.00 C ATOM 1103 C GLU A 75 2.398 10.511 -0.779 1.00 0.00 C ATOM 1104 O GLU A 75 2.365 10.351 0.440 1.00 0.00 O ATOM 1105 CB GLU A 75 0.964 12.546 -0.376 1.00 0.00 C ATOM 1106 CG GLU A 75 -0.133 11.774 0.360 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.556 12.506 1.636 1.00 0.00 C ATOM 1108 OE1 GLU A 75 0.328 13.149 2.242 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.755 12.407 1.976 1.00 0.00 O ATOM 0 H GLU A 75 -0.292 11.117 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 75 2.354 12.287 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.708 12.898 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.536 13.429 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.996 11.648 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.225 10.776 0.611 1.00 0.00 H new ATOM 1116 N LEU A 76 3.066 9.734 -1.620 1.00 0.00 N ATOM 1117 CA LEU A 76 3.833 8.598 -1.141 1.00 0.00 C ATOM 1118 C LEU A 76 5.323 8.867 -1.356 1.00 0.00 C ATOM 1119 O LEU A 76 5.732 9.288 -2.437 1.00 0.00 O ATOM 1120 CB LEU A 76 3.341 7.305 -1.794 1.00 0.00 C ATOM 1121 CG LEU A 76 3.953 6.008 -1.261 1.00 0.00 C ATOM 1122 CD1 LEU A 76 3.229 5.538 0.002 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.977 4.927 -2.344 1.00 0.00 C ATOM 0 H LEU A 76 3.091 9.870 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 76 3.684 8.463 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.259 7.249 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.539 7.364 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 76 4.988 6.208 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.684 4.614 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.308 6.304 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.178 5.360 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.417 4.016 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.959 4.722 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.572 5.272 -3.189 1.00 0.00 H new ATOM 1135 N GLU A 77 6.095 8.611 -0.310 1.00 0.00 N ATOM 1136 CA GLU A 77 7.532 8.821 -0.371 1.00 0.00 C ATOM 1137 C GLU A 77 8.271 7.503 -0.127 1.00 0.00 C ATOM 1138 O GLU A 77 7.739 6.598 0.513 1.00 0.00 O ATOM 1139 CB GLU A 77 7.973 9.890 0.631 1.00 0.00 C ATOM 1140 CG GLU A 77 6.934 10.065 1.740 1.00 0.00 C ATOM 1141 CD GLU A 77 7.318 11.213 2.675 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.518 11.564 2.680 1.00 0.00 O ATOM 1143 OE2 GLU A 77 6.403 11.714 3.364 1.00 0.00 O ATOM 0 H GLU A 77 5.753 8.260 0.585 1.00 0.00 H new ATOM 0 HA GLU A 77 7.786 9.179 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.932 9.611 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.122 10.838 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.956 10.261 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.847 9.140 2.311 1.00 0.00 H new ATOM 1150 N ASN A 78 9.486 7.438 -0.651 1.00 0.00 N ATOM 1151 CA ASN A 78 10.304 6.247 -0.498 1.00 0.00 C ATOM 1152 C ASN A 78 10.239 5.771 0.955 1.00 0.00 C ATOM 1153 O ASN A 78 10.291 4.572 1.222 1.00 0.00 O ATOM 1154 CB ASN A 78 11.768 6.536 -0.836 1.00 0.00 C ATOM 1155 CG ASN A 78 11.895 7.178 -2.219 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.401 6.673 -3.214 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.582 8.316 -2.226 1.00 0.00 N ATOM 0 H ASN A 78 9.924 8.191 -1.182 1.00 0.00 H new ATOM 0 HA ASN A 78 9.921 5.486 -1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.195 7.199 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.341 5.609 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.722 8.822 -3.101 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.969 8.683 -1.357 1.00 0.00 H new ATOM 1164 N GLU A 79 10.128 6.737 1.855 1.00 0.00 N ATOM 1165 CA GLU A 79 10.056 6.432 3.274 1.00 0.00 C ATOM 1166 C GLU A 79 8.849 5.537 3.564 1.00 0.00 C ATOM 1167 O GLU A 79 8.975 4.522 4.247 1.00 0.00 O ATOM 1168 CB GLU A 79 10.001 7.714 4.108 1.00 0.00 C ATOM 1169 CG GLU A 79 11.238 7.842 4.998 1.00 0.00 C ATOM 1170 CD GLU A 79 10.901 8.562 6.305 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.726 9.798 6.243 1.00 0.00 O ATOM 1172 OE2 GLU A 79 10.826 7.861 7.337 1.00 0.00 O ATOM 0 H GLU A 79 10.086 7.731 1.629 1.00 0.00 H new ATOM 0 HA GLU A 79 10.960 5.892 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.932 8.579 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.103 7.712 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.637 6.852 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.017 8.389 4.467 1.00 0.00 H new ATOM 1179 N ASP A 80 7.707 5.946 3.031 1.00 0.00 N ATOM 1180 CA ASP A 80 6.479 5.194 3.224 1.00 0.00 C ATOM 1181 C ASP A 80 6.739 3.716 2.925 1.00 0.00 C ATOM 1182 O ASP A 80 6.311 2.843 3.678 1.00 0.00 O ATOM 1183 CB ASP A 80 5.380 5.682 2.277 1.00 0.00 C ATOM 1184 CG ASP A 80 4.765 7.034 2.643 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.336 7.166 3.810 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.737 7.905 1.747 1.00 0.00 O ATOM 0 H ASP A 80 7.606 6.789 2.465 1.00 0.00 H new ATOM 0 HA ASP A 80 6.155 5.335 4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.792 5.748 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.587 4.935 2.249 1.00 0.00 H new ATOM 1191 N VAL A 81 7.439 3.482 1.825 1.00 0.00 N ATOM 1192 CA VAL A 81 7.761 2.125 1.417 1.00 0.00 C ATOM 1193 C VAL A 81 8.659 1.479 2.474 1.00 0.00 C ATOM 1194 O VAL A 81 8.424 0.343 2.883 1.00 0.00 O ATOM 1195 CB VAL A 81 8.389 2.132 0.023 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.679 0.708 -0.456 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.500 2.876 -0.976 1.00 0.00 C ATOM 0 H VAL A 81 7.792 4.209 1.203 1.00 0.00 H new ATOM 0 HA VAL A 81 6.855 1.523 1.347 1.00 0.00 H new ATOM 0 HB VAL A 81 9.338 2.664 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.125 0.742 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.370 0.225 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.749 0.141 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.970 2.866 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.528 2.386 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.368 3.907 -0.648 1.00 0.00 H new ATOM 1207 N TYR A 82 9.668 2.232 2.887 1.00 0.00 N ATOM 1208 CA TYR A 82 10.603 1.747 3.888 1.00 0.00 C ATOM 1209 C TYR A 82 9.885 1.437 5.204 1.00 0.00 C ATOM 1210 O TYR A 82 10.450 0.793 6.087 1.00 0.00 O ATOM 1211 CB TYR A 82 11.599 2.884 4.121 1.00 0.00 C ATOM 1212 CG TYR A 82 12.435 3.240 2.890 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.423 2.414 1.784 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.201 4.388 2.884 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.209 2.749 0.626 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.988 4.724 1.726 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.953 3.887 0.653 1.00 0.00 C ATOM 1218 OH TYR A 82 14.696 4.204 -0.441 1.00 0.00 O ATOM 0 H TYR A 82 9.858 3.174 2.547 1.00 0.00 H new ATOM 0 HA TYR A 82 11.086 0.831 3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.054 3.770 4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.269 2.606 4.935 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.823 1.516 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 82 13.210 5.035 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.208 2.111 -0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.592 5.619 1.709 1.00 0.00 H new ATOM 0 HH TYR A 82 15.175 5.044 -0.279 1.00 0.00 H new ATOM 1228 N MET A 83 8.651 1.910 5.293 1.00 0.00 N ATOM 1229 CA MET A 83 7.850 1.692 6.485 1.00 0.00 C ATOM 1230 C MET A 83 6.952 0.464 6.325 1.00 0.00 C ATOM 1231 O MET A 83 6.842 -0.353 7.239 1.00 0.00 O ATOM 1232 CB MET A 83 6.985 2.925 6.752 1.00 0.00 C ATOM 1233 CG MET A 83 7.229 3.472 8.161 1.00 0.00 C ATOM 1234 SD MET A 83 7.059 2.162 9.361 1.00 0.00 S ATOM 1235 CE MET A 83 8.769 1.934 9.816 1.00 0.00 C ATOM 0 H MET A 83 8.186 2.444 4.559 1.00 0.00 H new ATOM 0 HA MET A 83 8.523 1.520 7.325 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.208 3.696 6.015 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.932 2.667 6.635 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.227 3.907 8.224 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.519 4.270 8.378 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.018 0.874 9.775 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.406 2.484 9.123 1.00 0.00 H new ATOM 0 HE3 MET A 83 8.929 2.305 10.828 1.00 0.00 H new ATOM 1245 N ALA A 84 6.332 0.371 5.157 1.00 0.00 N ATOM 1246 CA ALA A 84 5.447 -0.744 4.866 1.00 0.00 C ATOM 1247 C ALA A 84 6.011 -1.543 3.690 1.00 0.00 C ATOM 1248 O ALA A 84 5.721 -1.241 2.533 1.00 0.00 O ATOM 1249 CB ALA A 84 4.037 -0.218 4.591 1.00 0.00 C ATOM 0 H ALA A 84 6.425 1.050 4.401 1.00 0.00 H new ATOM 0 HA ALA A 84 5.383 -1.417 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.373 -1.054 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.671 0.317 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.061 0.459 3.737 1.00 0.00 H new ATOM 1255 N SER A 85 6.808 -2.547 4.025 1.00 0.00 N ATOM 1256 CA SER A 85 7.415 -3.392 3.011 1.00 0.00 C ATOM 1257 C SER A 85 6.398 -4.418 2.506 1.00 0.00 C ATOM 1258 O SER A 85 6.374 -4.741 1.320 1.00 0.00 O ATOM 1259 CB SER A 85 8.657 -4.101 3.556 1.00 0.00 C ATOM 1260 OG SER A 85 8.324 -5.099 4.517 1.00 0.00 O ATOM 0 H SER A 85 7.048 -2.794 4.985 1.00 0.00 H new ATOM 0 HA SER A 85 7.726 -2.759 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.204 -4.559 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.323 -3.368 4.011 1.00 0.00 H new ATOM 0 HG SER A 85 9.019 -5.789 4.526 1.00 0.00 H new ATOM 1266 N THR A 86 5.582 -4.900 3.432 1.00 0.00 N ATOM 1267 CA THR A 86 4.565 -5.882 3.096 1.00 0.00 C ATOM 1268 C THR A 86 3.331 -5.192 2.510 1.00 0.00 C ATOM 1269 O THR A 86 2.848 -4.204 3.060 1.00 0.00 O ATOM 1270 CB THR A 86 4.264 -6.700 4.353 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.293 -5.741 5.407 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.393 -7.672 4.703 1.00 0.00 C ATOM 0 H THR A 86 5.604 -4.629 4.415 1.00 0.00 H new ATOM 0 HA THR A 86 4.915 -6.565 2.322 1.00 0.00 H new ATOM 0 HB THR A 86 3.337 -7.256 4.211 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.106 -6.186 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.129 -8.228 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.543 -8.368 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.313 -7.114 4.878 1.00 0.00 H new ATOM 1280 N PHE A 87 2.857 -5.741 1.401 1.00 0.00 N ATOM 1281 CA PHE A 87 1.688 -5.191 0.735 1.00 0.00 C ATOM 1282 C PHE A 87 0.595 -4.839 1.746 1.00 0.00 C ATOM 1283 O PHE A 87 0.186 -3.683 1.845 1.00 0.00 O ATOM 1284 CB PHE A 87 1.162 -6.273 -0.211 1.00 0.00 C ATOM 1285 CG PHE A 87 0.114 -5.773 -1.206 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.433 -4.794 -2.095 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.137 -6.308 -1.203 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.540 -4.330 -3.020 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.109 -5.844 -2.128 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.791 -4.865 -3.016 1.00 0.00 C ATOM 0 H PHE A 87 3.261 -6.560 0.947 1.00 0.00 H new ATOM 0 HA PHE A 87 1.958 -4.280 0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.000 -6.696 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.730 -7.080 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.426 -4.370 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.390 -7.085 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.287 -3.553 -3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.102 -6.269 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.531 -4.512 -3.718 1.00 0.00 H new ATOM 1300 N GLY A 88 0.154 -5.856 2.471 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.883 -5.668 3.471 1.00 0.00 C ATOM 1302 C GLY A 88 -0.687 -4.351 4.224 1.00 0.00 C ATOM 1303 O GLY A 88 -1.588 -3.515 4.265 1.00 0.00 O ATOM 0 H GLY A 88 0.496 -6.813 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.861 -5.674 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.869 -6.499 4.176 1.00 0.00 H new ATOM 1307 N ASP A 89 0.497 -4.207 4.801 1.00 0.00 N ATOM 1308 CA ASP A 89 0.824 -3.006 5.551 1.00 0.00 C ATOM 1309 C ASP A 89 0.752 -1.794 4.620 1.00 0.00 C ATOM 1310 O ASP A 89 0.093 -0.804 4.933 1.00 0.00 O ATOM 1311 CB ASP A 89 2.241 -3.081 6.121 1.00 0.00 C ATOM 1312 CG ASP A 89 2.529 -2.109 7.267 1.00 0.00 C ATOM 1313 OD1 ASP A 89 2.124 -0.934 7.130 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.148 -2.562 8.254 1.00 0.00 O ATOM 0 H ASP A 89 1.242 -4.903 4.764 1.00 0.00 H new ATOM 0 HA ASP A 89 0.111 -2.915 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.422 -4.097 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.951 -2.891 5.316 1.00 0.00 H new ATOM 1319 N PHE A 90 1.439 -1.912 3.493 1.00 0.00 N ATOM 1320 CA PHE A 90 1.462 -0.838 2.514 1.00 0.00 C ATOM 1321 C PHE A 90 0.043 -0.385 2.165 1.00 0.00 C ATOM 1322 O PHE A 90 -0.314 0.772 2.380 1.00 0.00 O ATOM 1323 CB PHE A 90 2.131 -1.394 1.256 1.00 0.00 C ATOM 1324 CG PHE A 90 2.292 -0.369 0.132 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.330 0.510 0.157 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.398 -0.336 -0.892 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.479 1.462 -0.886 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.547 0.616 -1.935 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.585 1.495 -1.910 1.00 0.00 C ATOM 0 H PHE A 90 1.984 -2.735 3.236 1.00 0.00 H new ATOM 0 HA PHE A 90 2.001 0.020 2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.114 -1.784 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.544 -2.235 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.041 0.484 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.574 -1.034 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.303 2.160 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.836 0.642 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.699 2.219 -2.703 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.729 -1.321 1.631 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.101 -1.032 1.250 1.00 0.00 C ATOM 1341 C ILE A 91 -2.742 -0.135 2.311 1.00 0.00 C ATOM 1342 O ILE A 91 -3.266 0.931 1.992 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.870 -2.330 0.995 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.473 -2.948 -0.347 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.380 -2.101 1.096 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.874 -2.039 -1.510 1.00 0.00 C ATOM 0 H ILE A 91 -0.430 -2.280 1.453 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.128 -0.482 0.309 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.600 -3.046 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.397 -3.118 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.952 -3.921 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.903 -3.039 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.627 -1.739 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.686 -1.362 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.580 -2.502 -2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.954 -1.890 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.374 -1.076 -1.408 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.680 -0.600 3.550 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.248 0.146 4.659 1.00 0.00 C ATOM 1360 C GLN A 92 -2.796 1.607 4.603 1.00 0.00 C ATOM 1361 O GLN A 92 -3.616 2.519 4.699 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.875 -0.492 5.998 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.550 -1.856 6.162 1.00 0.00 C ATOM 1364 CD GLN A 92 -5.073 -1.724 6.105 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.630 -0.640 6.142 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.713 -2.887 6.012 1.00 0.00 N ATOM 0 H GLN A 92 -2.245 -1.485 3.810 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.334 0.118 4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.793 -0.608 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.173 0.166 6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.210 -2.531 5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.255 -2.300 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.185 -3.759 5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.732 -2.906 5.967 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.492 1.783 4.446 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.921 3.118 4.376 1.00 0.00 C ATOM 1377 C LEU A 93 -1.481 3.844 3.152 1.00 0.00 C ATOM 1378 O LEU A 93 -1.917 4.990 3.252 1.00 0.00 O ATOM 1379 CB LEU A 93 0.608 3.048 4.403 1.00 0.00 C ATOM 1380 CG LEU A 93 1.342 4.115 3.589 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.548 4.659 4.358 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.736 3.578 2.211 1.00 0.00 C ATOM 0 H LEU A 93 -0.815 1.024 4.365 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.207 3.701 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.937 3.120 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.914 2.067 4.039 1.00 0.00 H new ATOM 0 HG LEU A 93 0.660 4.950 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.052 5.416 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.212 5.104 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.241 3.845 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.256 4.356 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.393 2.716 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.840 3.279 1.667 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.452 3.147 2.026 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.953 3.712 0.783 1.00 0.00 C ATOM 1396 C LEU A 94 -3.401 4.162 0.980 1.00 0.00 C ATOM 1397 O LEU A 94 -3.723 5.333 0.782 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.767 2.722 -0.368 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.732 2.875 -1.546 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.312 4.034 -2.452 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.865 1.561 -2.320 1.00 0.00 C ATOM 0 H LEU A 94 -1.090 2.197 1.947 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.379 4.597 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.748 2.819 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.866 1.711 0.028 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.718 3.117 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.014 4.121 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.310 4.961 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.312 3.847 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.556 1.697 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.889 1.265 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.245 0.784 -1.656 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.237 3.210 1.367 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.644 3.494 1.592 1.00 0.00 C ATOM 1415 C VAL A 95 -5.775 4.785 2.402 1.00 0.00 C ATOM 1416 O VAL A 95 -6.530 5.682 2.029 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.318 2.296 2.263 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.759 2.628 2.657 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.267 1.061 1.361 1.00 0.00 C ATOM 0 H VAL A 95 -3.967 2.240 1.531 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.159 3.651 0.644 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.765 2.068 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.216 1.760 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.762 3.466 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.327 2.895 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.753 0.224 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.783 1.273 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.228 0.805 1.153 1.00 0.00 H new ATOM 1429 N ARG A 96 -5.029 4.839 3.496 1.00 0.00 N ATOM 1430 CA ARG A 96 -5.053 6.005 4.361 1.00 0.00 C ATOM 1431 C ARG A 96 -4.828 7.278 3.543 1.00 0.00 C ATOM 1432 O ARG A 96 -5.511 8.281 3.747 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.978 5.908 5.446 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.609 5.850 6.839 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.564 6.110 7.926 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.227 6.576 9.164 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.725 5.759 10.102 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -4.640 4.430 9.948 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.310 6.270 11.194 1.00 0.00 N ATOM 0 H ARG A 96 -4.404 4.093 3.803 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.032 6.044 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.369 5.019 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.311 6.768 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.406 6.590 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.066 4.873 6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.001 5.198 8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.849 6.858 7.583 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.310 7.582 9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.196 4.040 9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.019 3.809 10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.376 7.281 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.689 5.648 11.908 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.867 7.197 2.634 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.544 8.330 1.784 1.00 0.00 C ATOM 1455 C LYS A 97 -4.662 8.528 0.758 1.00 0.00 C ATOM 1456 O LYS A 97 -5.180 9.634 0.605 1.00 0.00 O ATOM 1457 CB LYS A 97 -2.159 8.152 1.158 1.00 0.00 C ATOM 1458 CG LYS A 97 -1.071 8.121 2.233 1.00 0.00 C ATOM 1459 CD LYS A 97 -0.019 7.055 1.918 1.00 0.00 C ATOM 1460 CE LYS A 97 1.203 7.206 2.826 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.737 8.585 2.751 1.00 0.00 N ATOM 0 H LYS A 97 -3.302 6.364 2.468 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.487 9.245 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.133 7.227 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.964 8.967 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.594 9.099 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.521 7.917 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.452 6.063 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.286 7.137 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.930 6.971 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.974 6.495 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.712 8.600 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.730 8.907 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.145 9.218 3.326 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.001 7.440 0.082 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.048 7.481 -0.925 1.00 0.00 C ATOM 1477 C LEU A 98 -7.305 8.112 -0.322 1.00 0.00 C ATOM 1478 O LEU A 98 -7.945 8.952 -0.952 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.280 6.087 -1.512 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.132 5.509 -2.341 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.622 4.366 -3.234 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.431 6.605 -3.146 1.00 0.00 C ATOM 0 H LEU A 98 -4.569 6.525 0.212 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.747 8.109 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.492 5.400 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.172 6.122 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.394 5.090 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.786 3.973 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.039 3.573 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.390 4.738 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.619 6.167 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.147 7.075 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.027 7.355 -2.465 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.621 7.682 0.891 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.789 8.195 1.585 1.00 0.00 C ATOM 1496 C ARG A 99 -8.675 9.709 1.771 1.00 0.00 C ATOM 1497 O ARG A 99 -9.619 10.446 1.487 1.00 0.00 O ATOM 1498 CB ARG A 99 -8.951 7.531 2.955 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.719 6.213 2.838 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.377 5.275 3.997 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.041 3.967 3.803 1.00 0.00 N ATOM 1502 CZ ARG A 99 -10.301 3.102 4.792 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -9.955 3.401 6.052 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.908 1.938 4.523 1.00 0.00 N ATOM 0 H ARG A 99 -7.088 6.984 1.410 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.663 7.966 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.970 7.347 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.479 8.205 3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.791 6.412 2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.478 5.730 1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.297 5.138 4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.696 5.718 4.940 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.318 3.708 2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.494 4.287 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.153 2.742 6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.172 1.710 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.106 1.280 5.277 1.00 0.00 H new