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= -0.0197 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -1.03 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.93 F(o=-2.9,f=-1.9) 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 -170:sc= -2.3 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 75:sc= -0.953 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= -0.194 (180deg=-0.897) USER MOD Single : A 71 CYS SG : rot 180:sc= -1 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.362 F(o=-1.4,f=-0.36) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 147:sc= 1.03 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 92 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.015) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= 0.0967 (180deg=-0.0715) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 18 -10.440 -1.406 6.832 1.00 0.00 N ATOM 213 CA GLU A 18 -11.352 -2.189 6.016 1.00 0.00 C ATOM 214 C GLU A 18 -11.582 -1.503 4.668 1.00 0.00 C ATOM 215 O GLU A 18 -12.040 -0.362 4.618 1.00 0.00 O ATOM 216 CB GLU A 18 -12.677 -2.423 6.745 1.00 0.00 C ATOM 217 CG GLU A 18 -12.502 -3.419 7.893 1.00 0.00 C ATOM 218 CD GLU A 18 -13.755 -3.470 8.769 1.00 0.00 C ATOM 219 OE1 GLU A 18 -14.195 -2.381 9.196 1.00 0.00 O ATOM 220 OE2 GLU A 18 -14.246 -4.598 8.993 1.00 0.00 O ATOM 0 HA GLU A 18 -10.899 -3.163 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.054 -1.477 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.421 -2.799 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.294 -4.411 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.642 -3.134 8.499 1.00 0.00 H new ATOM 227 N LEU A 19 -11.253 -2.226 3.608 1.00 0.00 N ATOM 228 CA LEU A 19 -11.418 -1.701 2.263 1.00 0.00 C ATOM 229 C LEU A 19 -12.909 -1.626 1.928 1.00 0.00 C ATOM 230 O LEU A 19 -13.749 -2.048 2.722 1.00 0.00 O ATOM 231 CB LEU A 19 -10.604 -2.524 1.263 1.00 0.00 C ATOM 232 CG LEU A 19 -9.085 -2.362 1.340 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.665 -0.941 0.958 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.559 -2.764 2.720 1.00 0.00 C ATOM 0 H LEU A 19 -10.873 -3.171 3.653 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.025 -0.686 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.845 -3.577 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.927 -2.259 0.256 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.633 -3.038 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.580 -0.853 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.988 -0.728 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.127 -0.229 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.477 -2.639 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.016 -2.133 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.809 -3.807 2.915 1.00 0.00 H new ATOM 246 N THR A 20 -13.193 -1.087 0.752 1.00 0.00 N ATOM 247 CA THR A 20 -14.568 -0.951 0.303 1.00 0.00 C ATOM 248 C THR A 20 -14.717 -1.481 -1.125 1.00 0.00 C ATOM 249 O THR A 20 -13.813 -2.130 -1.648 1.00 0.00 O ATOM 250 CB THR A 20 -14.971 0.517 0.451 1.00 0.00 C ATOM 251 OG1 THR A 20 -14.483 1.133 -0.737 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.211 1.223 1.576 1.00 0.00 C ATOM 0 H THR A 20 -12.494 -0.739 0.096 1.00 0.00 H new ATOM 0 HA THR A 20 -15.244 -1.551 0.912 1.00 0.00 H new ATOM 0 HB THR A 20 -16.042 0.581 0.641 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.703 2.088 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.535 2.262 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.415 0.722 2.523 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.141 1.188 1.370 1.00 0.00 H new ATOM 260 N GLU A 21 -15.866 -1.185 -1.714 1.00 0.00 N ATOM 261 CA GLU A 21 -16.146 -1.624 -3.071 1.00 0.00 C ATOM 262 C GLU A 21 -15.198 -0.937 -4.057 1.00 0.00 C ATOM 263 O GLU A 21 -14.757 -1.550 -5.028 1.00 0.00 O ATOM 264 CB GLU A 21 -17.607 -1.361 -3.442 1.00 0.00 C ATOM 265 CG GLU A 21 -18.136 -2.445 -4.384 1.00 0.00 C ATOM 266 CD GLU A 21 -19.196 -1.878 -5.331 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.906 -0.827 -5.943 1.00 0.00 O ATOM 268 OE2 GLU A 21 -20.272 -2.508 -5.421 1.00 0.00 O ATOM 0 H GLU A 21 -16.614 -0.647 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.979 -2.700 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.216 -1.330 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.695 -0.385 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.312 -2.863 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.563 -3.262 -3.802 1.00 0.00 H new ATOM 275 N ALA A 22 -14.912 0.325 -3.772 1.00 0.00 N ATOM 276 CA ALA A 22 -14.025 1.101 -4.621 1.00 0.00 C ATOM 277 C ALA A 22 -12.573 0.778 -4.264 1.00 0.00 C ATOM 278 O ALA A 22 -11.841 0.213 -5.075 1.00 0.00 O ATOM 279 CB ALA A 22 -14.346 2.589 -4.471 1.00 0.00 C ATOM 0 H ALA A 22 -15.279 0.829 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.172 0.841 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.680 3.171 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.380 2.770 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.207 2.888 -3.432 1.00 0.00 H new ATOM 285 N GLU A 23 -12.199 1.152 -3.049 1.00 0.00 N ATOM 286 CA GLU A 23 -10.847 0.909 -2.574 1.00 0.00 C ATOM 287 C GLU A 23 -10.353 -0.457 -3.054 1.00 0.00 C ATOM 288 O GLU A 23 -9.289 -0.557 -3.663 1.00 0.00 O ATOM 289 CB GLU A 23 -10.775 1.015 -1.049 1.00 0.00 C ATOM 290 CG GLU A 23 -10.208 2.369 -0.619 1.00 0.00 C ATOM 291 CD GLU A 23 -10.474 2.628 0.865 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.507 1.631 1.618 1.00 0.00 O ATOM 293 OE2 GLU A 23 -10.637 3.818 1.213 1.00 0.00 O ATOM 0 H GLU A 23 -12.808 1.621 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.193 1.675 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.770 0.882 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.151 0.213 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.135 2.395 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.658 3.162 -1.217 1.00 0.00 H new ATOM 300 N LEU A 24 -11.149 -1.475 -2.760 1.00 0.00 N ATOM 301 CA LEU A 24 -10.806 -2.830 -3.154 1.00 0.00 C ATOM 302 C LEU A 24 -10.208 -2.812 -4.562 1.00 0.00 C ATOM 303 O LEU A 24 -9.142 -3.380 -4.796 1.00 0.00 O ATOM 304 CB LEU A 24 -12.018 -3.753 -3.013 1.00 0.00 C ATOM 305 CG LEU A 24 -12.256 -4.340 -1.620 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.605 -5.059 -1.551 1.00 0.00 C ATOM 307 CD2 LEU A 24 -11.099 -5.251 -1.205 1.00 0.00 C ATOM 0 H LEU A 24 -12.030 -1.388 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.045 -3.238 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.908 -3.198 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.907 -4.577 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.292 -3.519 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.749 -5.467 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.405 -4.353 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.623 -5.870 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.293 -5.655 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.007 -6.070 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.172 -4.678 -1.189 1.00 0.00 H new ATOM 319 N VAL A 25 -10.920 -2.153 -5.465 1.00 0.00 N ATOM 320 CA VAL A 25 -10.473 -2.053 -6.844 1.00 0.00 C ATOM 321 C VAL A 25 -9.093 -1.394 -6.881 1.00 0.00 C ATOM 322 O VAL A 25 -8.196 -1.864 -7.580 1.00 0.00 O ATOM 323 CB VAL A 25 -11.515 -1.306 -7.679 1.00 0.00 C ATOM 324 CG1 VAL A 25 -11.045 -1.145 -9.126 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.873 -2.009 -7.618 1.00 0.00 C ATOM 0 H VAL A 25 -11.804 -1.683 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.372 -3.044 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.634 -0.310 -7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.804 -0.611 -9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.112 -0.581 -9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.883 -2.128 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.595 -1.458 -8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.776 -3.023 -8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.216 -2.048 -6.584 1.00 0.00 H new ATOM 335 N THR A 26 -8.966 -0.317 -6.122 1.00 0.00 N ATOM 336 CA THR A 26 -7.710 0.412 -6.059 1.00 0.00 C ATOM 337 C THR A 26 -6.615 -0.465 -5.449 1.00 0.00 C ATOM 338 O THR A 26 -5.496 -0.511 -5.958 1.00 0.00 O ATOM 339 CB THR A 26 -7.953 1.708 -5.284 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.462 2.608 -6.264 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.652 2.363 -4.816 1.00 0.00 C ATOM 0 H THR A 26 -9.713 0.070 -5.544 1.00 0.00 H new ATOM 0 HA THR A 26 -7.355 0.675 -7.055 1.00 0.00 H new ATOM 0 HB THR A 26 -8.586 1.502 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.649 3.475 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.881 3.279 -4.271 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.114 1.677 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.033 2.601 -5.681 1.00 0.00 H new ATOM 349 N ALA A 27 -6.976 -1.140 -4.367 1.00 0.00 N ATOM 350 CA ALA A 27 -6.038 -2.013 -3.682 1.00 0.00 C ATOM 351 C ALA A 27 -5.544 -3.087 -4.653 1.00 0.00 C ATOM 352 O ALA A 27 -4.406 -3.543 -4.554 1.00 0.00 O ATOM 353 CB ALA A 27 -6.708 -2.610 -2.443 1.00 0.00 C ATOM 0 H ALA A 27 -7.905 -1.100 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.168 -1.451 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.005 -3.265 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.013 -1.807 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.584 -3.184 -2.744 1.00 0.00 H new ATOM 359 N GLU A 28 -6.425 -3.460 -5.570 1.00 0.00 N ATOM 360 CA GLU A 28 -6.093 -4.472 -6.559 1.00 0.00 C ATOM 361 C GLU A 28 -5.198 -3.877 -7.647 1.00 0.00 C ATOM 362 O GLU A 28 -4.329 -4.562 -8.184 1.00 0.00 O ATOM 363 CB GLU A 28 -7.359 -5.083 -7.163 1.00 0.00 C ATOM 364 CG GLU A 28 -7.889 -6.222 -6.289 1.00 0.00 C ATOM 365 CD GLU A 28 -7.798 -7.563 -7.021 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.737 -7.803 -7.637 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.792 -8.317 -6.949 1.00 0.00 O ATOM 0 H GLU A 28 -7.368 -3.080 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.544 -5.272 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.124 -4.314 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.145 -5.457 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.317 -6.270 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.925 -6.023 -6.015 1.00 0.00 H new ATOM 374 N ALA A 29 -5.442 -2.608 -7.941 1.00 0.00 N ATOM 375 CA ALA A 29 -4.668 -1.913 -8.956 1.00 0.00 C ATOM 376 C ALA A 29 -3.204 -1.848 -8.520 1.00 0.00 C ATOM 377 O ALA A 29 -2.301 -2.061 -9.328 1.00 0.00 O ATOM 378 CB ALA A 29 -5.268 -0.526 -9.195 1.00 0.00 C ATOM 0 H ALA A 29 -6.164 -2.043 -7.494 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.706 -2.452 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.688 -0.005 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.299 -0.629 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.245 0.045 -8.267 1.00 0.00 H new ATOM 384 N VAL A 30 -3.013 -1.553 -7.242 1.00 0.00 N ATOM 385 CA VAL A 30 -1.673 -1.458 -6.688 1.00 0.00 C ATOM 386 C VAL A 30 -0.995 -2.827 -6.765 1.00 0.00 C ATOM 387 O VAL A 30 0.160 -2.929 -7.175 1.00 0.00 O ATOM 388 CB VAL A 30 -1.734 -0.900 -5.265 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.437 -1.189 -4.507 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.040 0.599 -5.276 1.00 0.00 C ATOM 0 H VAL A 30 -3.764 -1.377 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.068 -0.763 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.547 -1.404 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.507 -0.782 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.279 -2.266 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.400 -0.725 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.078 0.970 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.259 1.126 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.002 0.771 -5.760 1.00 0.00 H new ATOM 400 N ARG A 31 -1.742 -3.845 -6.364 1.00 0.00 N ATOM 401 CA ARG A 31 -1.227 -5.204 -6.383 1.00 0.00 C ATOM 402 C ARG A 31 -0.575 -5.506 -7.733 1.00 0.00 C ATOM 403 O ARG A 31 0.506 -6.091 -7.787 1.00 0.00 O ATOM 404 CB ARG A 31 -2.343 -6.219 -6.125 1.00 0.00 C ATOM 405 CG ARG A 31 -1.768 -7.616 -5.882 1.00 0.00 C ATOM 406 CD ARG A 31 -2.611 -8.386 -4.864 1.00 0.00 C ATOM 407 NE ARG A 31 -3.565 -9.274 -5.566 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.091 -10.384 -5.030 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.760 -10.749 -3.784 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.949 -11.129 -5.741 1.00 0.00 N ATOM 0 H ARG A 31 -2.700 -3.756 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.484 -5.288 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.930 -5.908 -5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.021 -6.244 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.733 -8.167 -6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.742 -7.534 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.964 -8.975 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.153 -7.688 -4.226 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.839 -9.026 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.107 -10.182 -3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.161 -11.594 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.201 -10.851 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.350 -11.974 -5.334 1.00 0.00 H new ATOM 424 N SER A 32 -1.258 -5.093 -8.790 1.00 0.00 N ATOM 425 CA SER A 32 -0.759 -5.313 -10.137 1.00 0.00 C ATOM 426 C SER A 32 0.648 -4.727 -10.275 1.00 0.00 C ATOM 427 O SER A 32 1.495 -5.292 -10.965 1.00 0.00 O ATOM 428 CB SER A 32 -1.694 -4.697 -11.179 1.00 0.00 C ATOM 429 OG SER A 32 -1.265 -4.969 -12.510 1.00 0.00 O ATOM 0 H SER A 32 -2.153 -4.607 -8.741 1.00 0.00 H new ATOM 0 HA SER A 32 -0.719 -6.388 -10.315 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.702 -5.087 -11.037 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.745 -3.619 -11.028 1.00 0.00 H new ATOM 0 HG SER A 32 -1.889 -4.560 -13.145 1.00 0.00 H new ATOM 435 N VAL A 33 0.854 -3.601 -9.607 1.00 0.00 N ATOM 436 CA VAL A 33 2.144 -2.933 -9.646 1.00 0.00 C ATOM 437 C VAL A 33 3.211 -3.858 -9.057 1.00 0.00 C ATOM 438 O VAL A 33 4.234 -4.113 -9.689 1.00 0.00 O ATOM 439 CB VAL A 33 2.057 -1.585 -8.927 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.363 -0.802 -9.071 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.868 -0.768 -9.436 1.00 0.00 C ATOM 0 H VAL A 33 0.149 -3.135 -9.036 1.00 0.00 H new ATOM 0 HA VAL A 33 2.433 -2.719 -10.675 1.00 0.00 H new ATOM 0 HB VAL A 33 1.899 -1.780 -7.866 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.275 0.152 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.182 -1.377 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.565 -0.622 -10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.829 0.185 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.982 -0.587 -10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.055 -1.319 -9.258 1.00 0.00 H new ATOM 451 N TRP A 34 2.935 -4.333 -7.851 1.00 0.00 N ATOM 452 CA TRP A 34 3.858 -5.224 -7.169 1.00 0.00 C ATOM 453 C TRP A 34 4.170 -6.391 -8.108 1.00 0.00 C ATOM 454 O TRP A 34 5.334 -6.671 -8.391 1.00 0.00 O ATOM 455 CB TRP A 34 3.291 -5.676 -5.822 1.00 0.00 C ATOM 456 CG TRP A 34 3.338 -4.600 -4.735 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.070 -3.292 -4.856 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.685 -4.794 -3.348 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.219 -2.632 -3.653 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.605 -3.574 -2.707 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.055 -5.962 -2.657 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.880 -3.405 -1.345 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.326 -5.775 -1.296 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.250 -4.554 -0.636 1.00 0.00 C ATOM 0 H TRP A 34 2.086 -4.118 -7.329 1.00 0.00 H new ATOM 0 HA TRP A 34 4.789 -4.708 -6.934 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.257 -5.992 -5.962 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.847 -6.549 -5.480 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.775 -2.815 -5.779 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.073 -1.636 -3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.125 -6.926 -3.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.810 -2.439 -0.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.614 -6.641 -0.718 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.475 -4.492 0.418 1.00 0.00 H new ATOM 475 N GLN A 35 3.110 -7.041 -8.564 1.00 0.00 N ATOM 476 CA GLN A 35 3.255 -8.172 -9.465 1.00 0.00 C ATOM 477 C GLN A 35 4.074 -7.770 -10.694 1.00 0.00 C ATOM 478 O GLN A 35 5.105 -8.375 -10.983 1.00 0.00 O ATOM 479 CB GLN A 35 1.889 -8.727 -9.874 1.00 0.00 C ATOM 480 CG GLN A 35 1.242 -9.495 -8.719 1.00 0.00 C ATOM 481 CD GLN A 35 1.370 -11.006 -8.925 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.621 -11.455 -8.865 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.399 -11.716 -9.125 1.00 0.00 N flip ATOM 0 H GLN A 35 2.146 -6.806 -8.326 1.00 0.00 H new ATOM 0 HA GLN A 35 3.789 -8.964 -8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.237 -7.909 -10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.003 -9.386 -10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.715 -9.211 -7.779 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.189 -9.223 -8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.534 -11.306 -9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.520 -12.720 -9.258 1.00 0.00 H new ATOM 492 N ARG A 36 3.583 -6.750 -11.384 1.00 0.00 N ATOM 493 CA ARG A 36 4.256 -6.260 -12.575 1.00 0.00 C ATOM 494 C ARG A 36 5.749 -6.070 -12.300 1.00 0.00 C ATOM 495 O ARG A 36 6.589 -6.504 -13.087 1.00 0.00 O ATOM 496 CB ARG A 36 3.657 -4.931 -13.038 1.00 0.00 C ATOM 497 CG ARG A 36 2.716 -5.139 -14.227 1.00 0.00 C ATOM 498 CD ARG A 36 1.330 -5.585 -13.758 1.00 0.00 C ATOM 499 NE ARG A 36 0.445 -5.799 -14.924 1.00 0.00 N ATOM 500 CZ ARG A 36 0.490 -6.881 -15.713 1.00 0.00 C ATOM 501 NH1 ARG A 36 1.377 -7.854 -15.465 1.00 0.00 N ATOM 502 NH2 ARG A 36 -0.352 -6.990 -16.750 1.00 0.00 N ATOM 0 H ARG A 36 2.728 -6.250 -11.141 1.00 0.00 H new ATOM 0 HA ARG A 36 4.119 -7.001 -13.362 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.113 -4.467 -12.215 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.457 -4.245 -13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.631 -4.212 -14.794 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.134 -5.888 -14.900 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.412 -6.505 -13.179 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.900 -4.831 -13.099 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.243 -5.078 -15.141 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.018 -7.771 -14.676 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.411 -8.678 -16.065 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.027 -6.249 -16.939 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.318 -7.814 -17.351 1.00 0.00 H new ATOM 516 N ILE A 37 6.035 -5.421 -11.181 1.00 0.00 N ATOM 517 CA ILE A 37 7.412 -5.168 -10.793 1.00 0.00 C ATOM 518 C ILE A 37 8.096 -6.496 -10.462 1.00 0.00 C ATOM 519 O ILE A 37 8.941 -6.969 -11.221 1.00 0.00 O ATOM 520 CB ILE A 37 7.470 -4.146 -9.656 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.934 -2.787 -10.112 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.884 -4.042 -9.083 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.024 -1.757 -8.984 1.00 0.00 C ATOM 0 H ILE A 37 5.336 -5.063 -10.530 1.00 0.00 H new ATOM 0 HA ILE A 37 7.965 -4.721 -11.620 1.00 0.00 H new ATOM 0 HB ILE A 37 6.822 -4.494 -8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.502 -2.438 -10.974 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.898 -2.890 -10.434 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.897 -3.309 -8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.192 -5.013 -8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.573 -3.730 -9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.637 -0.800 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.435 -2.098 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.064 -1.639 -8.681 1.00 0.00 H new ATOM 535 N LEU A 38 7.705 -7.060 -9.329 1.00 0.00 N ATOM 536 CA LEU A 38 8.270 -8.324 -8.888 1.00 0.00 C ATOM 537 C LEU A 38 8.030 -9.387 -9.962 1.00 0.00 C ATOM 538 O LEU A 38 6.896 -9.817 -10.172 1.00 0.00 O ATOM 539 CB LEU A 38 7.722 -8.705 -7.512 1.00 0.00 C ATOM 540 CG LEU A 38 7.971 -7.697 -6.388 1.00 0.00 C ATOM 541 CD1 LEU A 38 6.947 -7.865 -5.264 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.408 -7.793 -5.873 1.00 0.00 C ATOM 0 H LEU A 38 7.004 -6.665 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 38 9.349 -8.236 -8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.647 -8.861 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.159 -9.660 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 38 7.841 -6.694 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.147 -7.137 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.944 -7.707 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.020 -8.872 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.558 -7.066 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.590 -8.797 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.101 -7.585 -6.688 1.00 0.00 H new ATOM 554 N PRO A 39 9.143 -9.791 -10.631 1.00 0.00 N ATOM 555 CA PRO A 39 9.064 -10.796 -11.677 1.00 0.00 C ATOM 556 C PRO A 39 8.872 -12.192 -11.083 1.00 0.00 C ATOM 557 O PRO A 39 7.789 -12.768 -11.179 1.00 0.00 O ATOM 558 CB PRO A 39 10.361 -10.655 -12.457 1.00 0.00 C ATOM 559 CG PRO A 39 11.316 -9.902 -11.544 1.00 0.00 C ATOM 560 CD PRO A 39 10.501 -9.304 -10.409 1.00 0.00 C ATOM 0 HA PRO A 39 8.204 -10.655 -12.332 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.764 -11.632 -12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.200 -10.111 -13.388 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.080 -10.574 -11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.834 -9.118 -12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.882 -9.621 -9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.539 -8.215 -10.426 1.00 0.00 H new ATOM 568 N LYS A 40 9.939 -12.697 -10.483 1.00 0.00 N ATOM 569 CA LYS A 40 9.902 -14.016 -9.873 1.00 0.00 C ATOM 570 C LYS A 40 8.554 -14.213 -9.176 1.00 0.00 C ATOM 571 O LYS A 40 7.950 -15.279 -9.275 1.00 0.00 O ATOM 572 CB LYS A 40 11.106 -14.214 -8.951 1.00 0.00 C ATOM 573 CG LYS A 40 12.105 -15.202 -9.557 1.00 0.00 C ATOM 574 CD LYS A 40 12.950 -15.865 -8.468 1.00 0.00 C ATOM 575 CE LYS A 40 12.916 -17.389 -8.601 1.00 0.00 C ATOM 576 NZ LYS A 40 13.215 -18.029 -7.300 1.00 0.00 N ATOM 0 H LYS A 40 10.836 -12.217 -10.406 1.00 0.00 H new ATOM 0 HA LYS A 40 9.983 -14.791 -10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.596 -13.256 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.769 -14.581 -7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.570 -15.965 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.755 -14.682 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.979 -15.513 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.578 -15.573 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.935 -17.708 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.642 -17.711 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.188 -19.063 -7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.161 -17.739 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.506 -17.735 -6.598 1.00 0.00 H new ATOM 590 N VAL A 41 8.122 -13.167 -8.487 1.00 0.00 N ATOM 591 CA VAL A 41 6.857 -13.211 -7.774 1.00 0.00 C ATOM 592 C VAL A 41 5.736 -13.558 -8.755 1.00 0.00 C ATOM 593 O VAL A 41 5.323 -12.719 -9.554 1.00 0.00 O ATOM 594 CB VAL A 41 6.623 -11.889 -7.041 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.214 -11.834 -6.446 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.684 -11.664 -5.962 1.00 0.00 C ATOM 0 H VAL A 41 8.626 -12.284 -8.407 1.00 0.00 H new ATOM 0 HA VAL A 41 6.875 -13.990 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 41 6.711 -11.082 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.074 -10.884 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.478 -11.926 -7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.086 -12.653 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.494 -10.717 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.644 -12.477 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.672 -11.637 -6.423 1.00 0.00 H new ATOM 606 N LEU A 42 5.274 -14.797 -8.662 1.00 0.00 N ATOM 607 CA LEU A 42 4.208 -15.265 -9.531 1.00 0.00 C ATOM 608 C LEU A 42 2.863 -14.775 -8.991 1.00 0.00 C ATOM 609 O LEU A 42 1.904 -14.623 -9.747 1.00 0.00 O ATOM 610 CB LEU A 42 4.285 -16.783 -9.704 1.00 0.00 C ATOM 611 CG LEU A 42 5.281 -17.289 -10.749 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.150 -18.413 -10.180 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.562 -17.714 -12.031 1.00 0.00 C ATOM 0 H LEU A 42 5.619 -15.490 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 42 4.321 -14.847 -10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.542 -17.226 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.293 -17.149 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 42 5.948 -16.468 -11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.849 -18.754 -10.943 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.706 -18.043 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.515 -19.244 -9.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.293 -18.070 -12.757 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.857 -18.514 -11.805 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.023 -16.862 -12.446 1.00 0.00 H new ATOM 625 N GLU A 43 2.834 -14.542 -7.687 1.00 0.00 N ATOM 626 CA GLU A 43 1.622 -14.073 -7.037 1.00 0.00 C ATOM 627 C GLU A 43 1.972 -13.220 -5.815 1.00 0.00 C ATOM 628 O GLU A 43 2.924 -13.518 -5.097 1.00 0.00 O ATOM 629 CB GLU A 43 0.720 -15.246 -6.646 1.00 0.00 C ATOM 630 CG GLU A 43 1.232 -15.933 -5.379 1.00 0.00 C ATOM 631 CD GLU A 43 0.916 -17.430 -5.401 1.00 0.00 C ATOM 632 OE1 GLU A 43 -0.268 -17.756 -5.636 1.00 0.00 O ATOM 633 OE2 GLU A 43 1.864 -18.214 -5.183 1.00 0.00 O ATOM 0 H GLU A 43 3.631 -14.669 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 43 1.070 -13.453 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.297 -14.889 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.679 -15.966 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.308 -15.786 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.775 -15.474 -4.502 1.00 0.00 H new ATOM 640 N VAL A 44 1.181 -12.175 -5.618 1.00 0.00 N ATOM 641 CA VAL A 44 1.395 -11.276 -4.496 1.00 0.00 C ATOM 642 C VAL A 44 0.326 -11.533 -3.432 1.00 0.00 C ATOM 643 O VAL A 44 -0.719 -12.113 -3.724 1.00 0.00 O ATOM 644 CB VAL A 44 1.416 -9.826 -4.984 1.00 0.00 C ATOM 645 CG1 VAL A 44 0.915 -8.874 -3.896 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.815 -9.429 -5.459 1.00 0.00 C ATOM 0 H VAL A 44 0.392 -11.931 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 44 2.365 -11.464 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 44 0.739 -9.748 -5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.940 -7.850 -4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.108 -9.137 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.555 -8.956 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.803 -8.394 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.522 -9.531 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.119 -10.079 -6.280 1.00 0.00 H new ATOM 656 N GLU A 45 0.625 -11.090 -2.220 1.00 0.00 N ATOM 657 CA GLU A 45 -0.297 -11.264 -1.111 1.00 0.00 C ATOM 658 C GLU A 45 -0.097 -10.156 -0.075 1.00 0.00 C ATOM 659 O GLU A 45 0.676 -9.226 -0.297 1.00 0.00 O ATOM 660 CB GLU A 45 -0.133 -12.646 -0.474 1.00 0.00 C ATOM 661 CG GLU A 45 1.344 -13.029 -0.367 1.00 0.00 C ATOM 662 CD GLU A 45 1.505 -14.435 0.216 1.00 0.00 C ATOM 663 OE1 GLU A 45 0.536 -14.898 0.855 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.594 -15.013 0.009 1.00 0.00 O ATOM 0 H GLU A 45 1.493 -10.611 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.315 -11.195 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.586 -12.649 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.663 -13.390 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.807 -12.985 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.866 -12.308 0.263 1.00 0.00 H new ATOM 671 N ASP A 46 -0.808 -10.293 1.035 1.00 0.00 N ATOM 672 CA ASP A 46 -0.718 -9.314 2.106 1.00 0.00 C ATOM 673 C ASP A 46 0.516 -9.611 2.960 1.00 0.00 C ATOM 674 O ASP A 46 0.993 -8.744 3.691 1.00 0.00 O ATOM 675 CB ASP A 46 -1.948 -9.378 3.014 1.00 0.00 C ATOM 676 CG ASP A 46 -2.247 -10.759 3.601 1.00 0.00 C ATOM 677 OD1 ASP A 46 -1.274 -11.421 4.021 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.444 -11.121 3.616 1.00 0.00 O ATOM 0 H ASP A 46 -1.448 -11.066 1.216 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.654 -8.324 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.813 -8.673 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.817 -9.045 2.447 1.00 0.00 H new ATOM 683 N SER A 47 0.999 -10.839 2.839 1.00 0.00 N ATOM 684 CA SER A 47 2.169 -11.260 3.590 1.00 0.00 C ATOM 685 C SER A 47 3.432 -11.060 2.749 1.00 0.00 C ATOM 686 O SER A 47 4.544 -11.262 3.234 1.00 0.00 O ATOM 687 CB SER A 47 2.047 -12.722 4.025 1.00 0.00 C ATOM 688 OG SER A 47 2.315 -12.890 5.414 1.00 0.00 O ATOM 0 H SER A 47 0.601 -11.556 2.232 1.00 0.00 H new ATOM 0 HA SER A 47 2.238 -10.646 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.043 -13.084 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.740 -13.332 3.446 1.00 0.00 H new ATOM 0 HG SER A 47 2.225 -13.836 5.652 1.00 0.00 H new ATOM 694 N THR A 48 3.217 -10.667 1.502 1.00 0.00 N ATOM 695 CA THR A 48 4.324 -10.437 0.589 1.00 0.00 C ATOM 696 C THR A 48 5.086 -9.171 0.983 1.00 0.00 C ATOM 697 O THR A 48 4.483 -8.121 1.202 1.00 0.00 O ATOM 698 CB THR A 48 3.761 -10.390 -0.833 1.00 0.00 C ATOM 699 OG1 THR A 48 3.624 -11.761 -1.198 1.00 0.00 O ATOM 700 CG2 THR A 48 4.768 -9.836 -1.843 1.00 0.00 C ATOM 0 H THR A 48 2.293 -10.502 1.103 1.00 0.00 H new ATOM 0 HA THR A 48 5.053 -11.246 0.639 1.00 0.00 H new ATOM 0 HB THR A 48 2.859 -9.778 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.417 -11.826 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.318 -9.824 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.047 -8.821 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.657 -10.467 -1.855 1.00 0.00 H new ATOM 708 N ASP A 49 6.402 -9.311 1.060 1.00 0.00 N ATOM 709 CA ASP A 49 7.253 -8.191 1.424 1.00 0.00 C ATOM 710 C ASP A 49 7.906 -7.622 0.163 1.00 0.00 C ATOM 711 O ASP A 49 8.716 -8.292 -0.477 1.00 0.00 O ATOM 712 CB ASP A 49 8.367 -8.632 2.376 1.00 0.00 C ATOM 713 CG ASP A 49 8.604 -7.703 3.568 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.396 -6.751 3.397 1.00 0.00 O ATOM 715 OD2 ASP A 49 7.989 -7.966 4.623 1.00 0.00 O ATOM 0 H ASP A 49 6.899 -10.183 0.877 1.00 0.00 H new ATOM 0 HA ASP A 49 6.633 -7.442 1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.130 -9.627 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.295 -8.717 1.811 1.00 0.00 H new ATOM 720 N PHE A 50 7.530 -6.392 -0.157 1.00 0.00 N ATOM 721 CA PHE A 50 8.070 -5.726 -1.330 1.00 0.00 C ATOM 722 C PHE A 50 9.568 -5.999 -1.475 1.00 0.00 C ATOM 723 O PHE A 50 10.071 -6.147 -2.588 1.00 0.00 O ATOM 724 CB PHE A 50 7.854 -4.224 -1.130 1.00 0.00 C ATOM 725 CG PHE A 50 8.118 -3.386 -2.383 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.384 -3.596 -3.508 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.086 -2.431 -2.370 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.629 -2.817 -4.671 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.331 -1.653 -3.532 1.00 0.00 C ATOM 730 CZ PHE A 50 8.597 -1.862 -4.658 1.00 0.00 C ATOM 0 H PHE A 50 6.858 -5.840 0.376 1.00 0.00 H new ATOM 0 HA PHE A 50 7.573 -6.093 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.828 -4.055 -0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.506 -3.877 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.615 -4.354 -3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.668 -2.264 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.046 -2.983 -5.565 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.100 -0.895 -3.522 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.783 -1.270 -5.542 1.00 0.00 H new ATOM 740 N PHE A 51 10.240 -6.056 -0.334 1.00 0.00 N ATOM 741 CA PHE A 51 11.671 -6.308 -0.320 1.00 0.00 C ATOM 742 C PHE A 51 11.966 -7.802 -0.462 1.00 0.00 C ATOM 743 O PHE A 51 12.516 -8.238 -1.472 1.00 0.00 O ATOM 744 CB PHE A 51 12.197 -5.822 1.032 1.00 0.00 C ATOM 745 CG PHE A 51 12.010 -4.322 1.270 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.192 -3.443 0.248 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.661 -3.868 2.503 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.018 -2.051 0.469 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.487 -2.476 2.724 1.00 0.00 C ATOM 750 CZ PHE A 51 11.669 -1.597 1.703 1.00 0.00 C ATOM 0 H PHE A 51 9.820 -5.932 0.587 1.00 0.00 H new ATOM 0 HA PHE A 51 12.148 -5.791 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.691 -6.371 1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.258 -6.062 1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.469 -3.804 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.516 -4.566 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.163 -1.353 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.210 -2.116 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.537 -0.538 1.872 1.00 0.00 H new ATOM 760 N LYS A 52 11.586 -8.548 0.566 1.00 0.00 N ATOM 761 CA LYS A 52 11.803 -9.984 0.569 1.00 0.00 C ATOM 762 C LYS A 52 11.476 -10.548 -0.815 1.00 0.00 C ATOM 763 O LYS A 52 12.099 -11.510 -1.261 1.00 0.00 O ATOM 764 CB LYS A 52 11.015 -10.643 1.704 1.00 0.00 C ATOM 765 CG LYS A 52 11.338 -9.987 3.048 1.00 0.00 C ATOM 766 CD LYS A 52 11.158 -10.979 4.199 1.00 0.00 C ATOM 767 CE LYS A 52 9.801 -10.788 4.879 1.00 0.00 C ATOM 768 NZ LYS A 52 9.662 -11.712 6.027 1.00 0.00 N ATOM 0 H LYS A 52 11.129 -8.184 1.402 1.00 0.00 H new ATOM 0 HA LYS A 52 12.851 -10.210 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.947 -10.563 1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.253 -11.706 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.363 -9.617 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.689 -9.125 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.240 -11.998 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.957 -10.844 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.700 -9.758 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.000 -10.966 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.735 -11.569 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.737 -12.694 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.416 -11.523 6.718 1.00 0.00 H new ATOM 782 N SER A 53 10.498 -9.925 -1.456 1.00 0.00 N ATOM 783 CA SER A 53 10.080 -10.353 -2.780 1.00 0.00 C ATOM 784 C SER A 53 11.249 -10.240 -3.760 1.00 0.00 C ATOM 785 O SER A 53 11.827 -11.249 -4.163 1.00 0.00 O ATOM 786 CB SER A 53 8.891 -9.528 -3.276 1.00 0.00 C ATOM 787 OG SER A 53 7.656 -9.994 -2.738 1.00 0.00 O ATOM 0 H SER A 53 9.983 -9.127 -1.083 1.00 0.00 H new ATOM 0 HA SER A 53 9.765 -11.395 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.035 -8.483 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.851 -9.569 -4.364 1.00 0.00 H new ATOM 0 HG SER A 53 7.581 -9.714 -1.802 1.00 0.00 H new ATOM 793 N GLY A 54 11.564 -9.003 -4.116 1.00 0.00 N ATOM 794 CA GLY A 54 12.655 -8.745 -5.041 1.00 0.00 C ATOM 795 C GLY A 54 12.649 -7.286 -5.502 1.00 0.00 C ATOM 796 O GLY A 54 12.868 -7.002 -6.678 1.00 0.00 O ATOM 0 H GLY A 54 11.083 -8.168 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.606 -8.974 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.567 -9.404 -5.905 1.00 0.00 H new ATOM 800 N ALA A 55 12.395 -6.399 -4.550 1.00 0.00 N ATOM 801 CA ALA A 55 12.358 -4.976 -4.844 1.00 0.00 C ATOM 802 C ALA A 55 13.737 -4.369 -4.578 1.00 0.00 C ATOM 803 O ALA A 55 14.352 -4.642 -3.548 1.00 0.00 O ATOM 804 CB ALA A 55 11.258 -4.312 -4.013 1.00 0.00 C ATOM 0 H ALA A 55 12.213 -6.638 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 55 12.120 -4.807 -5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.230 -3.245 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.295 -4.759 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.464 -4.458 -2.953 1.00 0.00 H new ATOM 810 N ALA A 56 14.182 -3.555 -5.524 1.00 0.00 N ATOM 811 CA ALA A 56 15.477 -2.907 -5.405 1.00 0.00 C ATOM 812 C ALA A 56 15.283 -1.481 -4.885 1.00 0.00 C ATOM 813 O ALA A 56 14.186 -1.114 -4.465 1.00 0.00 O ATOM 814 CB ALA A 56 16.192 -2.942 -6.757 1.00 0.00 C ATOM 0 H ALA A 56 13.669 -3.329 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 56 16.106 -3.436 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.163 -2.456 -6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.332 -3.977 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.591 -2.418 -7.500 1.00 0.00 H new ATOM 820 N SER A 57 16.364 -0.716 -4.930 1.00 0.00 N ATOM 821 CA SER A 57 16.326 0.661 -4.468 1.00 0.00 C ATOM 822 C SER A 57 15.568 1.529 -5.475 1.00 0.00 C ATOM 823 O SER A 57 15.112 2.621 -5.138 1.00 0.00 O ATOM 824 CB SER A 57 17.738 1.208 -4.252 1.00 0.00 C ATOM 825 OG SER A 57 18.315 1.691 -5.462 1.00 0.00 O ATOM 0 H SER A 57 17.272 -1.024 -5.279 1.00 0.00 H new ATOM 0 HA SER A 57 15.805 0.687 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.706 2.014 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.371 0.424 -3.837 1.00 0.00 H new ATOM 0 HG SER A 57 19.215 2.033 -5.281 1.00 0.00 H new ATOM 831 N VAL A 58 15.458 1.012 -6.689 1.00 0.00 N ATOM 832 CA VAL A 58 14.764 1.727 -7.747 1.00 0.00 C ATOM 833 C VAL A 58 13.278 1.363 -7.712 1.00 0.00 C ATOM 834 O VAL A 58 12.422 2.212 -7.957 1.00 0.00 O ATOM 835 CB VAL A 58 15.420 1.430 -9.097 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.942 1.362 -8.963 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.864 0.141 -9.706 1.00 0.00 C ATOM 0 H VAL A 58 15.838 0.106 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 58 14.839 2.804 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 58 15.180 2.250 -9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.384 1.150 -9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.318 2.316 -8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.211 0.571 -8.262 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.347 -0.046 -10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.059 -0.693 -9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.789 0.243 -9.855 1.00 0.00 H new ATOM 847 N ASP A 59 13.017 0.101 -7.405 1.00 0.00 N ATOM 848 CA ASP A 59 11.650 -0.385 -7.335 1.00 0.00 C ATOM 849 C ASP A 59 10.853 0.485 -6.361 1.00 0.00 C ATOM 850 O ASP A 59 9.692 0.802 -6.614 1.00 0.00 O ATOM 851 CB ASP A 59 11.603 -1.828 -6.827 1.00 0.00 C ATOM 852 CG ASP A 59 10.228 -2.494 -6.898 1.00 0.00 C ATOM 853 OD1 ASP A 59 9.349 -1.911 -7.568 1.00 0.00 O ATOM 854 OD2 ASP A 59 10.087 -3.572 -6.280 1.00 0.00 O ATOM 0 H ASP A 59 13.730 -0.600 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 59 11.226 -0.342 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.309 -2.424 -7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.945 -1.844 -5.792 1.00 0.00 H new ATOM 859 N VAL A 60 11.509 0.847 -5.268 1.00 0.00 N ATOM 860 CA VAL A 60 10.877 1.674 -4.255 1.00 0.00 C ATOM 861 C VAL A 60 10.268 2.911 -4.920 1.00 0.00 C ATOM 862 O VAL A 60 9.087 3.201 -4.736 1.00 0.00 O ATOM 863 CB VAL A 60 11.885 2.021 -3.158 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.301 3.042 -2.180 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.351 0.762 -2.424 1.00 0.00 C ATOM 0 H VAL A 60 12.472 0.582 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 60 10.065 1.131 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 60 12.756 2.473 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.038 3.271 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.042 3.954 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.406 2.629 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.067 1.036 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.493 0.269 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.825 0.083 -3.132 1.00 0.00 H new ATOM 875 N VAL A 61 11.102 3.606 -5.679 1.00 0.00 N ATOM 876 CA VAL A 61 10.661 4.805 -6.372 1.00 0.00 C ATOM 877 C VAL A 61 9.612 4.426 -7.419 1.00 0.00 C ATOM 878 O VAL A 61 8.648 5.161 -7.632 1.00 0.00 O ATOM 879 CB VAL A 61 11.864 5.537 -6.969 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.466 6.926 -7.472 1.00 0.00 C ATOM 881 CG2 VAL A 61 13.008 5.627 -5.957 1.00 0.00 C ATOM 0 H VAL A 61 12.081 3.362 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 61 10.190 5.498 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 61 12.217 4.960 -7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.339 7.425 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.699 6.829 -8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.075 7.515 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.851 6.152 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.671 6.171 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.318 4.623 -5.668 1.00 0.00 H new ATOM 891 N ARG A 62 9.834 3.280 -8.046 1.00 0.00 N ATOM 892 CA ARG A 62 8.920 2.795 -9.066 1.00 0.00 C ATOM 893 C ARG A 62 7.520 2.610 -8.479 1.00 0.00 C ATOM 894 O ARG A 62 6.581 3.301 -8.873 1.00 0.00 O ATOM 895 CB ARG A 62 9.401 1.465 -9.649 1.00 0.00 C ATOM 896 CG ARG A 62 9.204 1.427 -11.165 1.00 0.00 C ATOM 897 CD ARG A 62 9.921 0.225 -11.782 1.00 0.00 C ATOM 898 NE ARG A 62 9.052 -0.420 -12.791 1.00 0.00 N ATOM 899 CZ ARG A 62 9.480 -1.320 -13.687 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.768 -1.688 -13.704 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.619 -1.853 -14.565 1.00 0.00 N ATOM 0 H ARG A 62 10.634 2.673 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 62 8.888 3.538 -9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.455 1.320 -9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.855 0.643 -9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.140 1.378 -11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.584 2.348 -11.608 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.854 0.546 -12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.182 -0.492 -11.004 1.00 0.00 H new ATOM 0 HE ARG A 62 8.065 -0.163 -12.806 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.423 -1.283 -13.035 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.094 -2.373 -14.386 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.638 -1.574 -14.551 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.945 -2.538 -15.247 1.00 0.00 H new ATOM 915 N LEU A 63 7.423 1.674 -7.546 1.00 0.00 N ATOM 916 CA LEU A 63 6.152 1.389 -6.901 1.00 0.00 C ATOM 917 C LEU A 63 5.494 2.704 -6.477 1.00 0.00 C ATOM 918 O LEU A 63 4.298 2.899 -6.687 1.00 0.00 O ATOM 919 CB LEU A 63 6.346 0.400 -5.749 1.00 0.00 C ATOM 920 CG LEU A 63 5.368 0.532 -4.580 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.972 0.046 -4.975 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.896 -0.190 -3.339 1.00 0.00 C ATOM 0 H LEU A 63 8.204 1.103 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 63 5.471 0.901 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.270 -0.611 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.359 0.515 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 63 5.281 1.588 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.297 0.151 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.602 0.642 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.022 -1.002 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.182 -0.080 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.031 -1.248 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.852 0.243 -3.045 1.00 0.00 H new ATOM 934 N VAL A 64 6.304 3.572 -5.890 1.00 0.00 N ATOM 935 CA VAL A 64 5.816 4.863 -5.435 1.00 0.00 C ATOM 936 C VAL A 64 5.364 5.686 -6.643 1.00 0.00 C ATOM 937 O VAL A 64 4.293 6.290 -6.621 1.00 0.00 O ATOM 938 CB VAL A 64 6.890 5.565 -4.601 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.385 6.911 -4.079 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.361 4.672 -3.451 1.00 0.00 C ATOM 0 H VAL A 64 7.296 3.407 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 64 4.950 4.737 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 64 7.746 5.757 -5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.167 7.389 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.122 7.552 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.506 6.752 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.124 5.194 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.516 4.435 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.779 3.750 -3.854 1.00 0.00 H new ATOM 950 N GLU A 65 6.203 5.683 -7.668 1.00 0.00 N ATOM 951 CA GLU A 65 5.903 6.423 -8.883 1.00 0.00 C ATOM 952 C GLU A 65 4.644 5.863 -9.547 1.00 0.00 C ATOM 953 O GLU A 65 3.805 6.620 -10.033 1.00 0.00 O ATOM 954 CB GLU A 65 7.090 6.397 -9.848 1.00 0.00 C ATOM 955 CG GLU A 65 8.145 7.430 -9.447 1.00 0.00 C ATOM 956 CD GLU A 65 8.105 8.643 -10.379 1.00 0.00 C ATOM 957 OE1 GLU A 65 7.098 9.380 -10.309 1.00 0.00 O ATOM 958 OE2 GLU A 65 9.083 8.806 -11.140 1.00 0.00 O ATOM 0 H GLU A 65 7.090 5.180 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 65 5.718 7.463 -8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.535 5.402 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.744 6.600 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.974 7.750 -8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.135 6.975 -9.478 1.00 0.00 H new ATOM 965 N GLU A 66 4.551 4.541 -9.548 1.00 0.00 N ATOM 966 CA GLU A 66 3.408 3.871 -10.144 1.00 0.00 C ATOM 967 C GLU A 66 2.128 4.227 -9.385 1.00 0.00 C ATOM 968 O GLU A 66 1.166 4.714 -9.977 1.00 0.00 O ATOM 969 CB GLU A 66 3.619 2.357 -10.184 1.00 0.00 C ATOM 970 CG GLU A 66 4.706 1.980 -11.193 1.00 0.00 C ATOM 971 CD GLU A 66 4.289 0.761 -12.018 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.139 0.774 -12.508 1.00 0.00 O ATOM 973 OE2 GLU A 66 5.129 -0.156 -12.141 1.00 0.00 O ATOM 0 H GLU A 66 5.249 3.916 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 66 3.305 4.217 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.898 1.999 -9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.684 1.863 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.900 2.823 -11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.637 1.767 -10.668 1.00 0.00 H new ATOM 980 N VAL A 67 2.158 3.970 -8.086 1.00 0.00 N ATOM 981 CA VAL A 67 1.012 4.258 -7.240 1.00 0.00 C ATOM 982 C VAL A 67 0.675 5.747 -7.334 1.00 0.00 C ATOM 983 O VAL A 67 -0.442 6.155 -7.019 1.00 0.00 O ATOM 984 CB VAL A 67 1.291 3.797 -5.808 1.00 0.00 C ATOM 985 CG1 VAL A 67 0.103 4.101 -4.893 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.647 2.310 -5.769 1.00 0.00 C ATOM 0 H VAL A 67 2.957 3.566 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 67 0.137 3.705 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 67 2.151 4.356 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.327 3.763 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.084 5.175 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.782 3.582 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.840 2.009 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.817 1.727 -6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.538 2.133 -6.372 1.00 0.00 H new ATOM 996 N LYS A 68 1.660 6.518 -7.769 1.00 0.00 N ATOM 997 CA LYS A 68 1.481 7.953 -7.908 1.00 0.00 C ATOM 998 C LYS A 68 0.450 8.230 -9.004 1.00 0.00 C ATOM 999 O LYS A 68 -0.448 9.051 -8.823 1.00 0.00 O ATOM 1000 CB LYS A 68 2.828 8.641 -8.143 1.00 0.00 C ATOM 1001 CG LYS A 68 3.178 9.573 -6.982 1.00 0.00 C ATOM 1002 CD LYS A 68 4.596 9.306 -6.473 1.00 0.00 C ATOM 1003 CE LYS A 68 5.299 10.612 -6.100 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.438 11.484 -7.288 1.00 0.00 N ATOM 0 H LYS A 68 2.585 6.176 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 68 1.088 8.379 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.609 7.889 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.793 9.210 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.093 10.610 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.464 9.433 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.557 8.649 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.170 8.786 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.731 11.129 -5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.283 10.396 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.272 12.094 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.551 10.896 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.588 12.075 -7.386 1.00 0.00 H new ATOM 1018 N GLU A 69 0.613 7.529 -10.117 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.292 7.689 -11.242 1.00 0.00 C ATOM 1020 C GLU A 69 -1.686 7.171 -10.879 1.00 0.00 C ATOM 1021 O GLU A 69 -2.676 7.560 -11.496 1.00 0.00 O ATOM 1022 CB GLU A 69 0.249 6.983 -12.486 1.00 0.00 C ATOM 1023 CG GLU A 69 1.711 7.358 -12.737 1.00 0.00 C ATOM 1024 CD GLU A 69 1.862 8.129 -14.050 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.023 7.894 -14.946 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.814 8.936 -14.127 1.00 0.00 O ATOM 0 H GLU A 69 1.359 6.849 -10.263 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.369 8.751 -11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.163 5.903 -12.362 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.354 7.254 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.082 7.964 -11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.321 6.455 -12.769 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.717 6.301 -9.881 1.00 0.00 N ATOM 1034 CA LEU A 70 -2.972 5.725 -9.430 1.00 0.00 C ATOM 1035 C LEU A 70 -3.840 6.824 -8.812 1.00 0.00 C ATOM 1036 O LEU A 70 -5.015 6.955 -9.150 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.713 4.545 -8.490 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.474 3.192 -9.163 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.356 2.076 -8.123 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.559 2.896 -10.200 1.00 0.00 C ATOM 0 H LEU A 70 -0.893 5.981 -9.372 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.528 5.315 -10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.845 4.780 -7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.565 4.448 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.524 3.238 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.186 1.125 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.520 2.287 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.277 2.020 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.365 1.929 -10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.533 2.876 -9.712 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.553 3.672 -10.965 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.226 7.585 -7.918 1.00 0.00 N ATOM 1053 CA CYS A 71 -3.928 8.669 -7.251 1.00 0.00 C ATOM 1054 C CYS A 71 -3.581 9.977 -7.964 1.00 0.00 C ATOM 1055 O CYS A 71 -4.013 11.050 -7.545 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.593 8.725 -5.759 1.00 0.00 C ATOM 1057 SG CYS A 71 -4.987 9.463 -4.832 1.00 0.00 S ATOM 0 H CYS A 71 -2.251 7.473 -7.640 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.003 8.500 -7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.388 7.722 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.689 9.314 -5.603 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.693 9.504 -3.566 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.803 9.845 -9.029 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.393 11.004 -9.804 1.00 0.00 C ATOM 1065 C ASP A 72 -1.561 11.935 -8.920 1.00 0.00 C ATOM 1066 O ASP A 72 -2.047 12.974 -8.477 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.607 11.788 -10.306 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.276 13.053 -11.101 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.846 14.033 -10.455 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -3.459 13.011 -12.336 1.00 0.00 O ATOM 0 H ASP A 72 -2.446 8.954 -9.373 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.813 10.651 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.211 11.131 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.221 12.066 -9.449 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.321 11.528 -8.689 1.00 0.00 N ATOM 1076 CA GLY A 73 0.583 12.313 -7.866 1.00 0.00 C ATOM 1077 C GLY A 73 0.368 12.016 -6.380 1.00 0.00 C ATOM 1078 O GLY A 73 0.363 12.929 -5.556 1.00 0.00 O ATOM 0 H GLY A 73 0.078 10.665 -9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.615 12.092 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.424 13.375 -8.055 1.00 0.00 H new ATOM 1082 N LEU A 74 0.197 10.737 -6.083 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.017 10.308 -4.711 1.00 0.00 C ATOM 1084 C LEU A 74 1.107 10.855 -3.830 1.00 0.00 C ATOM 1085 O LEU A 74 2.262 10.906 -4.251 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.169 8.788 -4.642 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.449 8.204 -3.256 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.780 8.717 -2.703 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.390 6.675 -3.282 1.00 0.00 C ATOM 0 H LEU A 74 0.202 9.983 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.952 10.715 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.979 8.493 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.743 8.334 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 74 0.334 8.544 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.955 8.286 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.746 9.804 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.589 8.427 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.593 6.286 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.137 6.294 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.602 6.355 -3.602 1.00 0.00 H new ATOM 1101 N GLU A 75 0.731 11.250 -2.622 1.00 0.00 N ATOM 1102 CA GLU A 75 1.693 11.791 -1.677 1.00 0.00 C ATOM 1103 C GLU A 75 2.488 10.659 -1.023 1.00 0.00 C ATOM 1104 O GLU A 75 2.457 10.499 0.196 1.00 0.00 O ATOM 1105 CB GLU A 75 1.000 12.655 -0.623 1.00 0.00 C ATOM 1106 CG GLU A 75 0.834 14.094 -1.115 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.006 14.916 -0.136 1.00 0.00 C ATOM 1108 OE1 GLU A 75 0.267 14.805 1.079 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -0.903 15.636 -0.624 1.00 0.00 O ATOM 0 H GLU A 75 -0.228 11.206 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 75 2.389 12.430 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.023 12.233 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.582 12.647 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.814 14.556 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.359 14.094 -2.096 1.00 0.00 H new ATOM 1116 N LEU A 76 3.181 9.903 -1.862 1.00 0.00 N ATOM 1117 CA LEU A 76 3.982 8.791 -1.380 1.00 0.00 C ATOM 1118 C LEU A 76 5.459 9.191 -1.388 1.00 0.00 C ATOM 1119 O LEU A 76 5.838 10.168 -2.032 1.00 0.00 O ATOM 1120 CB LEU A 76 3.684 7.526 -2.187 1.00 0.00 C ATOM 1121 CG LEU A 76 3.939 6.198 -1.471 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.977 6.014 -0.297 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.877 5.026 -2.453 1.00 0.00 C ATOM 0 H LEU A 76 3.204 10.039 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 76 3.721 8.553 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.639 7.554 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.286 7.548 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 76 4.948 6.220 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.180 5.062 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.114 6.827 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.950 6.021 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.062 4.094 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.890 4.990 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.635 5.158 -3.225 1.00 0.00 H new ATOM 1135 N GLU A 77 6.253 8.416 -0.664 1.00 0.00 N ATOM 1136 CA GLU A 77 7.680 8.677 -0.580 1.00 0.00 C ATOM 1137 C GLU A 77 8.440 7.384 -0.278 1.00 0.00 C ATOM 1138 O GLU A 77 7.847 6.401 0.164 1.00 0.00 O ATOM 1139 CB GLU A 77 7.980 9.747 0.471 1.00 0.00 C ATOM 1140 CG GLU A 77 7.139 9.530 1.731 1.00 0.00 C ATOM 1141 CD GLU A 77 6.979 10.834 2.515 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.027 11.422 2.859 1.00 0.00 O ATOM 1143 OE2 GLU A 77 5.812 11.214 2.753 1.00 0.00 O ATOM 0 H GLU A 77 5.935 7.607 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 77 8.017 9.056 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.039 9.723 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.775 10.735 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.157 9.145 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.611 8.777 2.363 1.00 0.00 H new ATOM 1150 N ASN A 78 9.740 7.426 -0.529 1.00 0.00 N ATOM 1151 CA ASN A 78 10.587 6.270 -0.289 1.00 0.00 C ATOM 1152 C ASN A 78 10.439 5.828 1.168 1.00 0.00 C ATOM 1153 O ASN A 78 10.452 4.634 1.463 1.00 0.00 O ATOM 1154 CB ASN A 78 12.059 6.605 -0.534 1.00 0.00 C ATOM 1155 CG ASN A 78 12.225 7.460 -1.793 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.363 7.167 -2.762 1.00 0.00 O flip ATOM 1157 ND2 ASN A 78 13.078 8.327 -1.878 1.00 0.00 N flip ATOM 0 H ASN A 78 10.228 8.243 -0.896 1.00 0.00 H new ATOM 0 HA ASN A 78 10.279 5.479 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.463 7.137 0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.633 5.684 -0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.709 8.501 -1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.161 8.879 -2.732 1.00 0.00 H new ATOM 1164 N GLU A 79 10.301 6.815 2.042 1.00 0.00 N ATOM 1165 CA GLU A 79 10.151 6.543 3.461 1.00 0.00 C ATOM 1166 C GLU A 79 8.883 5.725 3.713 1.00 0.00 C ATOM 1167 O GLU A 79 8.891 4.793 4.516 1.00 0.00 O ATOM 1168 CB GLU A 79 10.136 7.842 4.269 1.00 0.00 C ATOM 1169 CG GLU A 79 11.423 8.640 4.051 1.00 0.00 C ATOM 1170 CD GLU A 79 11.904 9.273 5.358 1.00 0.00 C ATOM 1171 OE1 GLU A 79 12.219 8.494 6.284 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.947 10.521 5.402 1.00 0.00 O ATOM 0 H GLU A 79 10.290 7.804 1.794 1.00 0.00 H new ATOM 0 HA GLU A 79 11.009 5.958 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.276 8.445 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.021 7.614 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.198 7.985 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.251 9.418 3.308 1.00 0.00 H new ATOM 1179 N ASP A 80 7.824 6.103 3.013 1.00 0.00 N ATOM 1180 CA ASP A 80 6.551 5.416 3.151 1.00 0.00 C ATOM 1181 C ASP A 80 6.737 3.935 2.816 1.00 0.00 C ATOM 1182 O ASP A 80 6.146 3.070 3.461 1.00 0.00 O ATOM 1183 CB ASP A 80 5.508 5.990 2.190 1.00 0.00 C ATOM 1184 CG ASP A 80 4.974 7.373 2.568 1.00 0.00 C ATOM 1185 OD1 ASP A 80 5.237 7.790 3.716 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.314 7.983 1.699 1.00 0.00 O ATOM 0 H ASP A 80 7.821 6.877 2.348 1.00 0.00 H new ATOM 0 HA ASP A 80 6.207 5.547 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.946 6.046 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.669 5.297 2.131 1.00 0.00 H new ATOM 1191 N VAL A 81 7.562 3.688 1.809 1.00 0.00 N ATOM 1192 CA VAL A 81 7.833 2.326 1.381 1.00 0.00 C ATOM 1193 C VAL A 81 8.704 1.630 2.429 1.00 0.00 C ATOM 1194 O VAL A 81 8.373 0.540 2.891 1.00 0.00 O ATOM 1195 CB VAL A 81 8.464 2.331 -0.013 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.911 0.925 -0.418 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.504 2.921 -1.048 1.00 0.00 C ATOM 0 H VAL A 81 8.051 4.408 1.277 1.00 0.00 H new ATOM 0 HA VAL A 81 6.905 1.759 1.301 1.00 0.00 H new ATOM 0 HB VAL A 81 9.349 2.966 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.356 0.957 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.647 0.557 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.049 0.258 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.977 2.913 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.592 2.325 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.258 3.946 -0.773 1.00 0.00 H new ATOM 1207 N TYR A 82 9.800 2.290 2.773 1.00 0.00 N ATOM 1208 CA TYR A 82 10.721 1.749 3.758 1.00 0.00 C ATOM 1209 C TYR A 82 10.002 1.448 5.074 1.00 0.00 C ATOM 1210 O TYR A 82 10.516 0.709 5.912 1.00 0.00 O ATOM 1211 CB TYR A 82 11.768 2.838 4.000 1.00 0.00 C ATOM 1212 CG TYR A 82 12.587 3.201 2.760 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.853 2.241 1.804 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.062 4.486 2.598 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.624 2.582 0.637 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.833 4.827 1.431 1.00 0.00 C ATOM 1217 CZ TYR A 82 14.077 3.858 0.508 1.00 0.00 C ATOM 1218 OH TYR A 82 14.805 4.180 -0.595 1.00 0.00 O ATOM 0 H TYR A 82 10.071 3.194 2.387 1.00 0.00 H new ATOM 0 HA TYR A 82 11.161 0.818 3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.267 3.734 4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.446 2.507 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.483 1.234 1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.855 5.236 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.838 1.841 -0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.209 5.830 1.291 1.00 0.00 H new ATOM 0 HH TYR A 82 15.061 5.125 -0.554 1.00 0.00 H new ATOM 1228 N MET A 83 8.823 2.036 5.215 1.00 0.00 N ATOM 1229 CA MET A 83 8.027 1.840 6.415 1.00 0.00 C ATOM 1230 C MET A 83 7.110 0.624 6.272 1.00 0.00 C ATOM 1231 O MET A 83 6.994 -0.183 7.193 1.00 0.00 O ATOM 1232 CB MET A 83 7.184 3.089 6.678 1.00 0.00 C ATOM 1233 CG MET A 83 7.425 3.626 8.090 1.00 0.00 C ATOM 1234 SD MET A 83 7.211 2.318 9.286 1.00 0.00 S ATOM 1235 CE MET A 83 5.456 2.455 9.583 1.00 0.00 C ATOM 0 H MET A 83 8.400 2.649 4.518 1.00 0.00 H new ATOM 0 HA MET A 83 8.702 1.665 7.252 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.429 3.858 5.946 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.128 2.853 6.550 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.432 4.037 8.165 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.732 4.440 8.301 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.151 1.705 10.312 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.229 3.449 9.968 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.916 2.295 8.650 1.00 0.00 H new ATOM 1245 N ALA A 84 6.480 0.532 5.110 1.00 0.00 N ATOM 1246 CA ALA A 84 5.575 -0.572 4.834 1.00 0.00 C ATOM 1247 C ALA A 84 6.114 -1.385 3.656 1.00 0.00 C ATOM 1248 O ALA A 84 5.805 -1.092 2.502 1.00 0.00 O ATOM 1249 CB ALA A 84 4.170 -0.027 4.573 1.00 0.00 C ATOM 0 H ALA A 84 6.578 1.204 4.349 1.00 0.00 H new ATOM 0 HA ALA A 84 5.511 -1.240 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.491 -0.855 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.822 0.517 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.194 0.646 3.716 1.00 0.00 H new ATOM 1255 N SER A 85 6.911 -2.390 3.987 1.00 0.00 N ATOM 1256 CA SER A 85 7.496 -3.248 2.970 1.00 0.00 C ATOM 1257 C SER A 85 6.466 -4.275 2.496 1.00 0.00 C ATOM 1258 O SER A 85 6.473 -4.675 1.333 1.00 0.00 O ATOM 1259 CB SER A 85 8.746 -3.954 3.499 1.00 0.00 C ATOM 1260 OG SER A 85 8.466 -4.744 4.651 1.00 0.00 O ATOM 0 H SER A 85 7.166 -2.630 4.945 1.00 0.00 H new ATOM 0 HA SER A 85 7.793 -2.626 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.162 -4.589 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.505 -3.211 3.745 1.00 0.00 H new ATOM 0 HG SER A 85 9.047 -5.534 4.655 1.00 0.00 H new ATOM 1266 N THR A 86 5.605 -4.672 3.421 1.00 0.00 N ATOM 1267 CA THR A 86 4.571 -5.645 3.112 1.00 0.00 C ATOM 1268 C THR A 86 3.356 -4.953 2.492 1.00 0.00 C ATOM 1269 O THR A 86 2.984 -3.855 2.904 1.00 0.00 O ATOM 1270 CB THR A 86 4.244 -6.411 4.396 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.293 -5.417 5.416 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.346 -7.399 4.784 1.00 0.00 C ATOM 0 H THR A 86 5.602 -4.338 4.385 1.00 0.00 H new ATOM 0 HA THR A 86 4.913 -6.362 2.366 1.00 0.00 H new ATOM 0 HB THR A 86 3.304 -6.947 4.269 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.091 -5.827 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.065 -7.916 5.701 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.480 -8.127 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.279 -6.859 4.944 1.00 0.00 H new ATOM 1280 N PHE A 87 2.770 -5.623 1.510 1.00 0.00 N ATOM 1281 CA PHE A 87 1.605 -5.086 0.828 1.00 0.00 C ATOM 1282 C PHE A 87 0.541 -4.637 1.832 1.00 0.00 C ATOM 1283 O PHE A 87 0.173 -3.464 1.869 1.00 0.00 O ATOM 1284 CB PHE A 87 1.032 -6.213 -0.034 1.00 0.00 C ATOM 1285 CG PHE A 87 -0.081 -5.766 -0.983 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.226 -5.088 -2.121 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.379 -6.046 -0.688 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.807 -4.673 -3.002 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.413 -5.631 -1.569 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.105 -4.954 -2.707 1.00 0.00 C ATOM 0 H PHE A 87 3.081 -6.533 1.171 1.00 0.00 H new ATOM 0 HA PHE A 87 1.890 -4.221 0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.839 -6.655 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.646 -6.996 0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.257 -4.865 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.623 -6.584 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.563 -4.135 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.444 -5.853 -1.335 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.891 -4.639 -3.377 1.00 0.00 H new ATOM 1300 N GLY A 88 0.077 -5.595 2.622 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.937 -5.313 3.624 1.00 0.00 C ATOM 1302 C GLY A 88 -0.668 -3.975 4.315 1.00 0.00 C ATOM 1303 O GLY A 88 -1.493 -3.064 4.257 1.00 0.00 O ATOM 0 H GLY A 88 0.385 -6.567 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.921 -5.293 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.953 -6.112 4.365 1.00 0.00 H new ATOM 1307 N ASP A 89 0.491 -3.898 4.954 1.00 0.00 N ATOM 1308 CA ASP A 89 0.879 -2.687 5.656 1.00 0.00 C ATOM 1309 C ASP A 89 0.814 -1.500 4.692 1.00 0.00 C ATOM 1310 O ASP A 89 0.137 -0.511 4.966 1.00 0.00 O ATOM 1311 CB ASP A 89 2.313 -2.790 6.181 1.00 0.00 C ATOM 1312 CG ASP A 89 2.650 -1.840 7.332 1.00 0.00 C ATOM 1313 OD1 ASP A 89 2.642 -0.616 7.078 1.00 0.00 O ATOM 1314 OD2 ASP A 89 2.908 -2.359 8.439 1.00 0.00 O ATOM 0 H ASP A 89 1.173 -4.655 5.000 1.00 0.00 H new ATOM 0 HA ASP A 89 0.196 -2.550 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.490 -3.814 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.000 -2.597 5.357 1.00 0.00 H new ATOM 1319 N PHE A 90 1.526 -1.639 3.584 1.00 0.00 N ATOM 1320 CA PHE A 90 1.557 -0.591 2.578 1.00 0.00 C ATOM 1321 C PHE A 90 0.141 -0.144 2.209 1.00 0.00 C ATOM 1322 O PHE A 90 -0.182 1.040 2.297 1.00 0.00 O ATOM 1323 CB PHE A 90 2.233 -1.181 1.338 1.00 0.00 C ATOM 1324 CG PHE A 90 2.408 -0.184 0.191 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.470 0.665 0.185 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.501 -0.146 -0.821 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.633 1.591 -0.880 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.663 0.780 -1.886 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.726 1.629 -1.893 1.00 0.00 C ATOM 0 H PHE A 90 2.086 -2.462 3.360 1.00 0.00 H new ATOM 0 HA PHE A 90 2.095 0.276 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.211 -1.570 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.644 -2.027 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.190 0.635 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.657 -0.820 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.477 2.265 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.942 0.810 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.850 2.333 -2.703 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.665 -1.114 1.803 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.038 -0.834 1.420 1.00 0.00 C ATOM 1341 C ILE A 91 -2.671 0.101 2.452 1.00 0.00 C ATOM 1342 O ILE A 91 -3.231 1.137 2.096 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.813 -2.138 1.215 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.318 -2.880 -0.028 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.320 -1.878 1.165 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.572 -2.060 -1.294 1.00 0.00 C ATOM 0 H ILE A 91 -0.393 -2.095 1.731 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.068 -0.317 0.461 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.626 -2.785 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.252 -3.086 0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.823 -3.843 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.847 -2.821 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.642 -1.424 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.546 -1.204 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.211 -2.610 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.641 -1.876 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.045 -1.108 -1.223 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.561 -0.298 3.711 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.115 0.492 4.797 1.00 0.00 C ATOM 1360 C GLN A 92 -2.686 1.955 4.663 1.00 0.00 C ATOM 1361 O GLN A 92 -3.518 2.858 4.736 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.702 -0.078 6.156 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.196 -1.516 6.320 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.639 -1.545 6.829 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -4.951 -1.081 7.914 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.498 -2.115 5.989 1.00 0.00 N ATOM 0 H GLN A 92 -2.096 -1.158 4.003 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.202 0.446 4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.617 -0.049 6.252 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.109 0.543 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.133 -2.037 5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.550 -2.049 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.170 -2.483 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.485 -2.184 6.238 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.389 2.142 4.468 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.840 3.480 4.323 1.00 0.00 C ATOM 1377 C LEU A 93 -1.424 4.133 3.069 1.00 0.00 C ATOM 1378 O LEU A 93 -1.871 5.278 3.111 1.00 0.00 O ATOM 1379 CB LEU A 93 0.689 3.436 4.338 1.00 0.00 C ATOM 1380 CG LEU A 93 1.398 4.458 3.448 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.647 5.012 4.136 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.717 3.863 2.075 1.00 0.00 C ATOM 0 H LEU A 93 -0.703 1.390 4.407 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.126 4.103 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.027 3.581 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.007 2.438 4.036 1.00 0.00 H new ATOM 0 HG LEU A 93 0.721 5.296 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.132 5.736 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.363 5.499 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.338 4.196 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.221 4.611 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.366 2.996 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.791 3.558 1.587 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.403 3.376 1.982 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.925 3.866 0.718 1.00 0.00 C ATOM 1396 C LEU A 94 -3.388 4.276 0.899 1.00 0.00 C ATOM 1397 O LEU A 94 -3.743 5.433 0.682 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.709 2.832 -0.389 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.676 2.904 -1.572 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.246 3.985 -2.567 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.827 1.537 -2.242 1.00 0.00 C ATOM 0 H LEU A 94 -1.032 2.426 1.951 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.381 4.756 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.693 2.942 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.779 1.837 0.052 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.658 3.187 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.950 4.015 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.232 4.954 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.249 3.757 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.520 1.617 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.856 1.201 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.213 0.818 -1.519 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.196 3.305 1.297 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.612 3.550 1.511 1.00 0.00 C ATOM 1415 C VAL A 95 -5.787 4.845 2.306 1.00 0.00 C ATOM 1416 O VAL A 95 -6.583 5.705 1.933 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.256 2.340 2.190 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.702 2.641 2.591 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.183 1.104 1.292 1.00 0.00 C ATOM 0 H VAL A 95 -3.897 2.347 1.477 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.125 3.682 0.558 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.693 2.128 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.136 1.764 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.720 3.481 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.281 2.892 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.648 0.258 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.709 1.301 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.140 0.870 1.079 1.00 0.00 H new ATOM 1429 N ARG A 96 -5.029 4.944 3.389 1.00 0.00 N ATOM 1430 CA ARG A 96 -5.090 6.119 4.241 1.00 0.00 C ATOM 1431 C ARG A 96 -4.859 7.386 3.414 1.00 0.00 C ATOM 1432 O ARG A 96 -5.599 8.360 3.543 1.00 0.00 O ATOM 1433 CB ARG A 96 -4.044 6.047 5.355 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.591 5.304 6.574 1.00 0.00 C ATOM 1435 CD ARG A 96 -4.033 5.892 7.872 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.787 5.367 9.032 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.425 5.550 10.309 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -3.316 6.245 10.597 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.170 5.037 11.297 1.00 0.00 N ATOM 0 H ARG A 96 -4.369 4.229 3.696 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.082 6.151 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.151 5.542 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.745 7.055 5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.679 5.364 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.330 4.248 6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.977 5.640 7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.100 6.980 7.846 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.636 4.832 8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.748 6.634 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.040 6.385 11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.013 4.507 11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.894 5.177 12.269 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.828 7.332 2.583 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.490 8.463 1.736 1.00 0.00 C ATOM 1455 C LYS A 97 -4.583 8.649 0.681 1.00 0.00 C ATOM 1456 O LYS A 97 -5.013 9.771 0.418 1.00 0.00 O ATOM 1457 CB LYS A 97 -2.089 8.290 1.146 1.00 0.00 C ATOM 1458 CG LYS A 97 -1.043 8.144 2.252 1.00 0.00 C ATOM 1459 CD LYS A 97 0.320 7.762 1.671 1.00 0.00 C ATOM 1460 CE LYS A 97 1.414 7.843 2.738 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.705 9.255 3.075 1.00 0.00 N ATOM 0 H LYS A 97 -3.216 6.523 2.478 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.453 9.381 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.068 7.411 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.845 9.149 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.958 9.081 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.365 7.384 2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.276 6.751 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.565 8.427 0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.098 7.307 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.319 7.355 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.595 9.308 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.795 9.809 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.930 9.641 3.651 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.001 7.531 0.105 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.035 7.557 -0.915 1.00 0.00 C ATOM 1477 C LEU A 98 -7.299 8.199 -0.339 1.00 0.00 C ATOM 1478 O LEU A 98 -7.908 9.057 -0.974 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.262 6.155 -1.484 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.076 5.529 -2.220 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.530 4.366 -3.103 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.305 6.585 -3.015 1.00 0.00 C ATOM 0 H LEU A 98 -4.642 6.602 0.325 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.721 8.172 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.546 5.494 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.109 6.195 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.391 5.120 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.667 3.939 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.000 3.601 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.247 4.727 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.467 6.114 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.968 7.044 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.930 7.350 -2.335 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.654 7.757 0.859 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.834 8.278 1.528 1.00 0.00 C ATOM 1496 C ARG A 99 -8.699 9.787 1.745 1.00 0.00 C ATOM 1497 O ARG A 99 -9.622 10.545 1.451 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.048 7.593 2.880 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.796 6.269 2.711 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.440 5.291 3.832 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.179 4.022 3.651 1.00 0.00 N ATOM 1502 CZ ARG A 99 -10.067 2.964 4.466 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -9.246 3.017 5.523 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.777 1.854 4.223 1.00 0.00 N ATOM 0 H ARG A 99 -7.146 7.045 1.383 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.694 8.075 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.085 7.412 3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.612 8.252 3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.871 6.452 2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.548 5.828 1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.367 5.100 3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.685 5.729 4.799 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.814 3.948 2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.706 3.863 5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.161 2.212 6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.402 1.815 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.692 1.048 4.843 1.00 0.00 H new