USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 652 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 SER OG : rot 12:sc= -0.621 USER MOD Single : A 24 GLN :FLIP amide:sc= -1.98! C(o=-2.8!,f=-2!) USER MOD Single : A 34 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.017) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0635 USER MOD Single : A 39 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-4.9!) USER MOD Single : A 45 GLN : amide:sc= -0.67 K(o=-0.67,f=-3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.43 F(o=-2.2!,f=-1.4) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.117 F(o=-0.69,f=-0.12) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.926 USER MOD Single : A 71 MET CE :methyl -159:sc= -0.165 (180deg=-1.31) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0663 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -4.92! C(o=-8.6!,f=-4.9!) USER MOD Single : A 89 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-8.5!) USER MOD Single : A 94 SER OG : rot 161:sc= -4.81! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 235 N ILE A 14 107.350 3.470 -2.685 1.00 0.00 N ATOM 236 CA ILE A 14 106.944 3.572 -4.083 1.00 0.00 C ATOM 237 C ILE A 14 105.499 4.038 -4.151 1.00 0.00 C ATOM 238 O ILE A 14 104.577 3.257 -3.916 1.00 0.00 O ATOM 239 CB ILE A 14 107.072 2.209 -4.765 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.548 1.882 -5.013 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.329 2.230 -6.105 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.358 2.107 -3.735 1.00 0.00 C ATOM 0 HA ILE A 14 107.588 4.288 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 14 106.638 1.449 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.649 0.847 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.938 2.509 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.422 1.257 -6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.275 2.450 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.760 2.997 -6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.406 1.872 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.269 3.149 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 14 108.977 1.461 -2.944 1.00 0.00 H new ATOM 254 N ALA A 15 105.298 5.314 -4.451 1.00 0.00 N ATOM 255 CA ALA A 15 103.944 5.849 -4.514 1.00 0.00 C ATOM 256 C ALA A 15 103.391 5.837 -5.931 1.00 0.00 C ATOM 257 O ALA A 15 103.918 6.486 -6.834 1.00 0.00 O ATOM 258 CB ALA A 15 103.928 7.282 -3.982 1.00 0.00 C ATOM 0 H ALA A 15 106.038 5.987 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 15 103.312 5.209 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.913 7.677 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.270 7.290 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.589 7.902 -4.588 1.00 0.00 H new ATOM 264 N PHE A 16 102.288 5.122 -6.088 1.00 0.00 N ATOM 265 CA PHE A 16 101.588 5.035 -7.359 1.00 0.00 C ATOM 266 C PHE A 16 100.109 4.834 -7.067 1.00 0.00 C ATOM 267 O PHE A 16 99.752 4.407 -5.970 1.00 0.00 O ATOM 268 CB PHE A 16 102.147 3.896 -8.221 1.00 0.00 C ATOM 269 CG PHE A 16 101.754 2.551 -7.656 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.163 2.181 -6.369 1.00 0.00 C ATOM 271 CD2 PHE A 16 100.996 1.662 -8.430 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.812 0.928 -5.857 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.651 0.406 -7.918 1.00 0.00 C ATOM 274 CZ PHE A 16 101.058 0.041 -6.631 1.00 0.00 C ATOM 0 H PHE A 16 101.853 4.586 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 16 101.731 5.954 -7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.774 3.990 -9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.233 3.971 -8.270 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.750 2.863 -5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.678 1.946 -9.422 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.124 0.645 -4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.071 -0.281 -8.516 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.790 -0.927 -6.235 1.00 0.00 H new ATOM 284 N ASP A 17 99.244 5.151 -8.019 1.00 0.00 N ATOM 285 CA ASP A 17 97.811 4.999 -7.783 1.00 0.00 C ATOM 286 C ASP A 17 97.320 3.657 -8.314 1.00 0.00 C ATOM 287 O ASP A 17 97.829 3.147 -9.312 1.00 0.00 O ATOM 288 CB ASP A 17 97.041 6.145 -8.458 1.00 0.00 C ATOM 289 CG ASP A 17 97.916 6.817 -9.512 1.00 0.00 C ATOM 290 OD1 ASP A 17 98.535 6.103 -10.285 1.00 0.00 O ATOM 291 OD2 ASP A 17 97.956 8.037 -9.531 1.00 0.00 O ATOM 0 H ASP A 17 99.497 5.507 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 17 97.632 5.034 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 17 96.132 5.760 -8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 17 96.733 6.876 -7.710 1.00 0.00 H new ATOM 296 N ALA A 18 96.326 3.093 -7.636 1.00 0.00 N ATOM 297 CA ALA A 18 95.762 1.812 -8.037 1.00 0.00 C ATOM 298 C ALA A 18 94.639 1.422 -7.083 1.00 0.00 C ATOM 299 O ALA A 18 94.350 2.140 -6.128 1.00 0.00 O ATOM 300 CB ALA A 18 96.844 0.729 -8.033 1.00 0.00 C ATOM 0 H ALA A 18 95.896 3.503 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 18 95.363 1.905 -9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.407 -0.223 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.635 1.003 -8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.261 0.635 -7.030 1.00 0.00 H new ATOM 306 N ASP A 19 94.006 0.284 -7.344 1.00 0.00 N ATOM 307 CA ASP A 19 92.915 -0.178 -6.489 1.00 0.00 C ATOM 308 C ASP A 19 93.417 -1.182 -5.459 1.00 0.00 C ATOM 309 O ASP A 19 94.153 -2.112 -5.790 1.00 0.00 O ATOM 310 CB ASP A 19 91.821 -0.823 -7.341 1.00 0.00 C ATOM 311 CG ASP A 19 90.548 -0.991 -6.516 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.578 -1.757 -5.566 1.00 0.00 O ATOM 313 OD2 ASP A 19 89.564 -0.352 -6.846 1.00 0.00 O ATOM 0 H ASP A 19 94.224 -0.330 -8.129 1.00 0.00 H new ATOM 0 HA ASP A 19 92.508 0.685 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.618 -0.205 -8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.158 -1.793 -7.707 1.00 0.00 H new ATOM 318 N SER A 20 93.000 -0.999 -4.210 1.00 0.00 N ATOM 319 CA SER A 20 93.395 -1.905 -3.140 1.00 0.00 C ATOM 320 C SER A 20 92.191 -2.246 -2.268 1.00 0.00 C ATOM 321 O SER A 20 91.226 -1.491 -2.208 1.00 0.00 O ATOM 322 CB SER A 20 94.473 -1.249 -2.280 1.00 0.00 C ATOM 323 OG SER A 20 94.098 0.094 -2.004 1.00 0.00 O ATOM 0 H SER A 20 92.392 -0.235 -3.916 1.00 0.00 H new ATOM 0 HA SER A 20 93.787 -2.821 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.599 -1.802 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.432 -1.272 -2.797 1.00 0.00 H new ATOM 0 HG SER A 20 93.161 0.230 -2.256 1.00 0.00 H new ATOM 329 N GLU A 21 92.263 -3.373 -1.578 1.00 0.00 N ATOM 330 CA GLU A 21 91.178 -3.784 -0.688 1.00 0.00 C ATOM 331 C GLU A 21 91.766 -4.483 0.522 1.00 0.00 C ATOM 332 O GLU A 21 92.784 -5.167 0.419 1.00 0.00 O ATOM 333 CB GLU A 21 90.185 -4.696 -1.416 1.00 0.00 C ATOM 334 CG GLU A 21 90.894 -5.953 -1.925 1.00 0.00 C ATOM 335 CD GLU A 21 90.819 -7.063 -0.881 1.00 0.00 C ATOM 336 OE1 GLU A 21 90.538 -6.752 0.263 1.00 0.00 O ATOM 337 OE2 GLU A 21 91.042 -8.206 -1.242 1.00 0.00 O ATOM 0 H GLU A 21 93.052 -4.018 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 21 90.629 -2.900 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 21 89.375 -4.975 -0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.734 -4.161 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.433 -6.287 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 91.936 -5.725 -2.149 1.00 0.00 H new ATOM 344 N ILE A 22 91.144 -4.278 1.675 1.00 0.00 N ATOM 345 CA ILE A 22 91.653 -4.869 2.911 1.00 0.00 C ATOM 346 C ILE A 22 90.635 -5.811 3.543 1.00 0.00 C ATOM 347 O ILE A 22 89.451 -5.509 3.612 1.00 0.00 O ATOM 348 CB ILE A 22 92.004 -3.752 3.891 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.105 -2.850 3.287 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.468 -4.361 5.217 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.462 -3.120 3.948 1.00 0.00 C ATOM 0 H ILE A 22 90.299 -3.717 1.784 1.00 0.00 H new ATOM 0 HA ILE A 22 92.541 -5.454 2.673 1.00 0.00 H new ATOM 0 HB ILE A 22 91.122 -3.139 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.178 -3.028 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.834 -1.802 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.718 -3.563 5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.669 -4.973 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.347 -4.981 5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.218 -2.472 3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.393 -2.918 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.741 -4.162 3.793 1.00 0.00 H new ATOM 363 N LEU A 23 91.123 -6.960 4.004 1.00 0.00 N ATOM 364 CA LEU A 23 90.271 -7.964 4.633 1.00 0.00 C ATOM 365 C LEU A 23 90.736 -8.264 6.049 1.00 0.00 C ATOM 366 O LEU A 23 91.880 -8.658 6.275 1.00 0.00 O ATOM 367 CB LEU A 23 90.305 -9.257 3.810 1.00 0.00 C ATOM 368 CG LEU A 23 90.504 -8.907 2.333 1.00 0.00 C ATOM 369 CD1 LEU A 23 92.001 -8.841 2.011 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.837 -9.970 1.453 1.00 0.00 C ATOM 0 H LEU A 23 92.108 -7.219 3.953 1.00 0.00 H new ATOM 0 HA LEU A 23 89.255 -7.571 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.113 -9.901 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.376 -9.812 3.943 1.00 0.00 H new ATOM 0 HG LEU A 23 90.050 -7.936 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.136 -8.592 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.473 -8.077 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.460 -9.808 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.982 -9.716 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.284 -10.943 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.770 -10.008 1.674 1.00 0.00 H new ATOM 382 N GLN A 24 89.826 -8.083 6.993 1.00 0.00 N ATOM 383 CA GLN A 24 90.128 -8.346 8.398 1.00 0.00 C ATOM 384 C GLN A 24 89.044 -9.222 9.011 1.00 0.00 C ATOM 385 O GLN A 24 87.950 -8.745 9.315 1.00 0.00 O ATOM 386 CB GLN A 24 90.218 -7.025 9.169 1.00 0.00 C ATOM 387 CG GLN A 24 90.621 -7.290 10.632 1.00 0.00 C ATOM 388 CD GLN A 24 89.418 -7.116 11.557 1.00 0.00 C ATOM 389 OE1 GLN A 24 89.604 -6.730 12.790 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 88.280 -7.335 11.143 1.00 0.00 N flip ATOM 0 H GLN A 24 88.876 -7.757 6.817 1.00 0.00 H new ATOM 0 HA GLN A 24 91.084 -8.865 8.460 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.948 -6.368 8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.258 -6.510 9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 24 91.019 -8.300 10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.416 -6.605 10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 24 88.137 -7.637 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 24 87.480 -7.215 11.764 1.00 0.00 H new ATOM 399 N GLY A 25 89.339 -10.509 9.168 1.00 0.00 N ATOM 400 CA GLY A 25 88.362 -11.437 9.719 1.00 0.00 C ATOM 401 C GLY A 25 87.374 -11.850 8.636 1.00 0.00 C ATOM 402 O GLY A 25 87.771 -12.303 7.563 1.00 0.00 O ATOM 0 H GLY A 25 90.237 -10.928 8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.867 -12.317 10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.832 -10.970 10.549 1.00 0.00 H new ATOM 406 N GLU A 26 86.090 -11.677 8.915 1.00 0.00 N ATOM 407 CA GLU A 26 85.053 -12.019 7.948 1.00 0.00 C ATOM 408 C GLU A 26 84.571 -10.759 7.244 1.00 0.00 C ATOM 409 O GLU A 26 83.529 -10.759 6.590 1.00 0.00 O ATOM 410 CB GLU A 26 83.874 -12.684 8.668 1.00 0.00 C ATOM 411 CG GLU A 26 83.080 -11.638 9.455 1.00 0.00 C ATOM 412 CD GLU A 26 82.084 -12.332 10.379 1.00 0.00 C ATOM 413 OE1 GLU A 26 82.515 -13.154 11.171 1.00 0.00 O ATOM 414 OE2 GLU A 26 80.906 -12.033 10.280 1.00 0.00 O ATOM 0 H GLU A 26 85.741 -11.304 9.798 1.00 0.00 H new ATOM 0 HA GLU A 26 85.465 -12.710 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.225 -13.175 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.240 -13.458 9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.759 -11.016 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.552 -10.976 8.768 1.00 0.00 H new ATOM 421 N ARG A 27 85.311 -9.670 7.433 1.00 0.00 N ATOM 422 CA ARG A 27 84.922 -8.388 6.861 1.00 0.00 C ATOM 423 C ARG A 27 85.888 -7.919 5.776 1.00 0.00 C ATOM 424 O ARG A 27 87.103 -7.903 5.973 1.00 0.00 O ATOM 425 CB ARG A 27 84.894 -7.347 7.980 1.00 0.00 C ATOM 426 CG ARG A 27 84.316 -7.968 9.268 1.00 0.00 C ATOM 427 CD ARG A 27 83.079 -7.196 9.716 1.00 0.00 C ATOM 428 NE ARG A 27 82.838 -7.402 11.138 1.00 0.00 N ATOM 429 CZ ARG A 27 81.841 -6.784 11.762 1.00 0.00 C ATOM 430 NH1 ARG A 27 81.045 -5.993 11.096 1.00 0.00 N ATOM 431 NH2 ARG A 27 81.655 -6.971 13.040 1.00 0.00 N ATOM 0 H ARG A 27 86.176 -9.650 7.973 1.00 0.00 H new ATOM 0 HA ARG A 27 83.941 -8.508 6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.902 -6.975 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.290 -6.492 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 27 84.058 -9.012 9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 27 85.068 -7.953 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 27 83.213 -6.133 9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 27 82.211 -7.523 9.143 1.00 0.00 H new ATOM 0 HE ARG A 27 83.445 -8.031 11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 27 81.188 -5.849 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 27 80.280 -5.519 11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 27 82.275 -7.592 13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 27 80.890 -6.496 13.519 1.00 0.00 H new ATOM 445 N ARG A 28 85.328 -7.516 4.637 1.00 0.00 N ATOM 446 CA ARG A 28 86.131 -7.019 3.523 1.00 0.00 C ATOM 447 C ARG A 28 85.629 -5.650 3.098 1.00 0.00 C ATOM 448 O ARG A 28 84.444 -5.339 3.220 1.00 0.00 O ATOM 449 CB ARG A 28 86.059 -7.989 2.336 1.00 0.00 C ATOM 450 CG ARG A 28 86.902 -7.450 1.176 1.00 0.00 C ATOM 451 CD ARG A 28 86.802 -8.403 -0.018 1.00 0.00 C ATOM 452 NE ARG A 28 87.621 -7.910 -1.126 1.00 0.00 N ATOM 453 CZ ARG A 28 87.139 -7.813 -2.366 1.00 0.00 C ATOM 454 NH1 ARG A 28 85.911 -8.167 -2.631 1.00 0.00 N ATOM 455 NH2 ARG A 28 87.904 -7.363 -3.323 1.00 0.00 N ATOM 0 H ARG A 28 84.323 -7.524 4.462 1.00 0.00 H new ATOM 0 HA ARG A 28 87.168 -6.940 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.422 -8.972 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 28 85.024 -8.114 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.555 -6.457 0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.942 -7.347 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 28 87.133 -9.400 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.763 -8.493 -0.335 1.00 0.00 H new ATOM 0 HE ARG A 28 88.586 -7.633 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 28 85.311 -8.522 -1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 28 85.552 -8.089 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 28 88.865 -7.088 -3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 28 87.541 -7.287 -4.273 1.00 0.00 H new ATOM 469 N TRP A 29 86.551 -4.831 2.620 1.00 0.00 N ATOM 470 CA TRP A 29 86.226 -3.482 2.196 1.00 0.00 C ATOM 471 C TRP A 29 87.118 -3.059 1.038 1.00 0.00 C ATOM 472 O TRP A 29 88.217 -3.586 0.863 1.00 0.00 O ATOM 473 CB TRP A 29 86.451 -2.525 3.359 1.00 0.00 C ATOM 474 CG TRP A 29 85.598 -2.908 4.522 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.252 -2.785 4.582 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.015 -3.464 5.803 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.821 -3.222 5.821 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.870 -3.650 6.607 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.265 -3.819 6.339 1.00 0.00 C ATOM 480 CZ2 TRP A 29 84.960 -4.166 7.900 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.359 -4.342 7.640 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.209 -4.513 8.419 1.00 0.00 C ATOM 0 H TRP A 29 87.535 -5.080 2.516 1.00 0.00 H new ATOM 0 HA TRP A 29 85.185 -3.457 1.875 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.501 -2.538 3.651 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.219 -1.506 3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.619 -2.408 3.793 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.845 -3.227 6.118 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.159 -3.689 5.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.069 -4.296 8.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.324 -4.614 8.041 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.287 -4.912 9.419 1.00 0.00 H new ATOM 493 N GLU A 30 86.642 -2.098 0.252 1.00 0.00 N ATOM 494 CA GLU A 30 87.412 -1.606 -0.882 1.00 0.00 C ATOM 495 C GLU A 30 88.054 -0.266 -0.532 1.00 0.00 C ATOM 496 O GLU A 30 87.434 0.561 0.135 1.00 0.00 O ATOM 497 CB GLU A 30 86.493 -1.429 -2.095 1.00 0.00 C ATOM 498 CG GLU A 30 85.402 -2.502 -2.074 1.00 0.00 C ATOM 499 CD GLU A 30 84.338 -2.147 -1.041 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.084 -0.968 -0.861 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.793 -3.060 -0.442 1.00 0.00 O ATOM 0 H GLU A 30 85.735 -1.649 0.379 1.00 0.00 H new ATOM 0 HA GLU A 30 88.192 -2.329 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 30 86.042 -0.437 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 30 87.071 -1.502 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.947 -2.589 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.840 -3.472 -1.838 1.00 0.00 H new ATOM 508 N VAL A 31 89.284 -0.049 -0.970 1.00 0.00 N ATOM 509 CA VAL A 31 89.977 1.201 -0.677 1.00 0.00 C ATOM 510 C VAL A 31 90.962 1.550 -1.787 1.00 0.00 C ATOM 511 O VAL A 31 91.436 0.679 -2.514 1.00 0.00 O ATOM 512 CB VAL A 31 90.743 1.080 0.646 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.801 0.600 1.749 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.885 0.077 0.488 1.00 0.00 C ATOM 0 H VAL A 31 89.822 -0.714 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 31 89.228 1.990 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 31 91.147 2.056 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.351 0.516 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 31 88.987 1.315 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.392 -0.374 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.428 -0.007 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.479 -0.897 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.564 0.419 -0.293 1.00 0.00 H new ATOM 524 N LEU A 32 91.291 2.831 -1.883 1.00 0.00 N ATOM 525 CA LEU A 32 92.250 3.298 -2.870 1.00 0.00 C ATOM 526 C LEU A 32 93.615 3.340 -2.197 1.00 0.00 C ATOM 527 O LEU A 32 93.761 3.917 -1.118 1.00 0.00 O ATOM 528 CB LEU A 32 91.837 4.697 -3.370 1.00 0.00 C ATOM 529 CG LEU A 32 93.038 5.468 -3.938 1.00 0.00 C ATOM 530 CD1 LEU A 32 93.677 4.680 -5.080 1.00 0.00 C ATOM 531 CD2 LEU A 32 92.555 6.819 -4.473 1.00 0.00 C ATOM 0 H LEU A 32 90.906 3.565 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 32 92.284 2.633 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 32 91.070 4.598 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.395 5.262 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 32 93.775 5.615 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 32 94.527 5.236 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 94.017 3.713 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 32 92.944 4.528 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 32 93.401 7.373 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 32 91.818 6.656 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 32 92.102 7.390 -3.663 1.00 0.00 H new ATOM 543 N LEU A 33 94.608 2.726 -2.820 1.00 0.00 N ATOM 544 CA LEU A 33 95.945 2.709 -2.249 1.00 0.00 C ATOM 545 C LEU A 33 96.727 3.911 -2.749 1.00 0.00 C ATOM 546 O LEU A 33 96.815 4.156 -3.952 1.00 0.00 O ATOM 547 CB LEU A 33 96.652 1.398 -2.613 1.00 0.00 C ATOM 548 CG LEU A 33 98.180 1.561 -2.535 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.820 0.185 -2.316 1.00 0.00 C ATOM 550 CD2 LEU A 33 98.721 2.180 -3.838 1.00 0.00 C ATOM 0 H LEU A 33 94.516 2.238 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 33 95.881 2.768 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.331 0.606 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.365 1.092 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 33 98.427 2.223 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.903 0.292 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.449 -0.245 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.563 -0.472 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 33 99.803 2.289 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.476 1.531 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.267 3.159 -3.992 1.00 0.00 H new ATOM 562 N HIS A 34 97.264 4.676 -1.808 1.00 0.00 N ATOM 563 CA HIS A 34 98.006 5.880 -2.146 1.00 0.00 C ATOM 564 C HIS A 34 99.504 5.611 -2.273 1.00 0.00 C ATOM 565 O HIS A 34 100.176 6.274 -3.062 1.00 0.00 O ATOM 566 CB HIS A 34 97.728 6.945 -1.096 1.00 0.00 C ATOM 567 CG HIS A 34 96.331 7.467 -1.273 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.066 8.739 -1.754 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.107 6.893 -1.039 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.730 8.886 -1.793 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.098 7.791 -1.367 1.00 0.00 N ATOM 0 H HIS A 34 97.199 4.484 -0.808 1.00 0.00 H new ATOM 0 HA HIS A 34 97.672 6.233 -3.121 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.848 6.526 -0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.447 7.759 -1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.951 5.895 -0.658 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.229 9.782 -2.129 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.091 7.644 -1.297 1.00 0.00 H new ATOM 579 N ASP A 35 100.032 4.624 -1.559 1.00 0.00 N ATOM 580 CA ASP A 35 101.456 4.309 -1.706 1.00 0.00 C ATOM 581 C ASP A 35 101.813 3.043 -0.940 1.00 0.00 C ATOM 582 O ASP A 35 101.097 2.626 -0.029 1.00 0.00 O ATOM 583 CB ASP A 35 102.342 5.480 -1.256 1.00 0.00 C ATOM 584 CG ASP A 35 102.393 5.538 0.268 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.547 6.202 0.846 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.276 4.917 0.836 1.00 0.00 O ATOM 0 H ASP A 35 99.521 4.044 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 35 101.645 4.137 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.348 5.361 -1.658 1.00 0.00 H new ATOM 0 HB3 ASP A 35 101.950 6.417 -1.651 1.00 0.00 H new ATOM 591 N VAL A 36 102.921 2.426 -1.339 1.00 0.00 N ATOM 592 CA VAL A 36 103.374 1.191 -0.715 1.00 0.00 C ATOM 593 C VAL A 36 104.897 1.152 -0.629 1.00 0.00 C ATOM 594 O VAL A 36 105.589 1.966 -1.239 1.00 0.00 O ATOM 595 CB VAL A 36 102.868 -0.009 -1.526 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.676 -0.131 -2.819 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.022 -1.297 -0.713 1.00 0.00 C ATOM 0 H VAL A 36 103.521 2.763 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 36 102.973 1.145 0.297 1.00 0.00 H new ATOM 0 HB VAL A 36 101.815 0.144 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.316 -0.984 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.560 0.779 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.729 -0.275 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.660 -2.142 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.073 -1.449 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.443 -1.218 0.207 1.00 0.00 H new ATOM 607 N SER A 37 105.404 0.177 0.119 1.00 0.00 N ATOM 608 CA SER A 37 106.836 -0.012 0.282 1.00 0.00 C ATOM 609 C SER A 37 107.121 -1.507 0.277 1.00 0.00 C ATOM 610 O SER A 37 106.193 -2.316 0.312 1.00 0.00 O ATOM 611 CB SER A 37 107.310 0.598 1.602 1.00 0.00 C ATOM 612 OG SER A 37 108.732 0.595 1.636 1.00 0.00 O ATOM 0 H SER A 37 104.834 -0.500 0.626 1.00 0.00 H new ATOM 0 HA SER A 37 107.367 0.482 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.934 1.616 1.701 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.913 0.029 2.443 1.00 0.00 H new ATOM 0 HG SER A 37 109.040 0.987 2.480 1.00 0.00 H new ATOM 618 N LEU A 38 108.389 -1.882 0.225 1.00 0.00 N ATOM 619 CA LEU A 38 108.729 -3.299 0.204 1.00 0.00 C ATOM 620 C LEU A 38 108.377 -3.969 1.531 1.00 0.00 C ATOM 621 O LEU A 38 108.585 -5.171 1.699 1.00 0.00 O ATOM 622 CB LEU A 38 110.219 -3.495 -0.117 1.00 0.00 C ATOM 623 CG LEU A 38 111.066 -2.452 0.623 1.00 0.00 C ATOM 624 CD1 LEU A 38 111.024 -2.718 2.129 1.00 0.00 C ATOM 625 CD2 LEU A 38 112.512 -2.541 0.132 1.00 0.00 C ATOM 0 H LEU A 38 109.184 -1.244 0.197 1.00 0.00 H new ATOM 0 HA LEU A 38 108.140 -3.772 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.531 -4.498 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.381 -3.408 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 38 110.667 -1.457 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 38 111.628 -1.973 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 38 109.994 -2.658 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 38 111.420 -3.713 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 38 113.120 -1.802 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.903 -3.539 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 38 112.545 -2.346 -0.940 1.00 0.00 H new ATOM 637 N HIS A 39 107.837 -3.194 2.472 1.00 0.00 N ATOM 638 CA HIS A 39 107.463 -3.748 3.772 1.00 0.00 C ATOM 639 C HIS A 39 106.491 -2.825 4.508 1.00 0.00 C ATOM 640 O HIS A 39 106.536 -2.715 5.734 1.00 0.00 O ATOM 641 CB HIS A 39 108.717 -3.964 4.629 1.00 0.00 C ATOM 642 CG HIS A 39 108.520 -5.157 5.524 1.00 0.00 C ATOM 643 ND1 HIS A 39 109.219 -6.340 5.341 1.00 0.00 N ATOM 644 CD2 HIS A 39 107.704 -5.368 6.608 1.00 0.00 C ATOM 645 CE1 HIS A 39 108.816 -7.201 6.293 1.00 0.00 C ATOM 646 NE2 HIS A 39 107.893 -6.660 7.092 1.00 0.00 N ATOM 0 H HIS A 39 107.651 -2.197 2.361 1.00 0.00 H new ATOM 0 HA HIS A 39 106.966 -4.703 3.601 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.585 -4.117 3.988 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.917 -3.076 5.229 1.00 0.00 H new ATOM 0 HD2 HIS A 39 107.020 -4.642 7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 39 109.193 -8.208 6.398 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.427 -7.099 7.886 1.00 0.00 H new ATOM 654 N GLY A 40 105.613 -2.168 3.758 1.00 0.00 N ATOM 655 CA GLY A 40 104.637 -1.261 4.361 1.00 0.00 C ATOM 656 C GLY A 40 103.620 -0.794 3.324 1.00 0.00 C ATOM 657 O GLY A 40 103.899 -0.821 2.130 1.00 0.00 O ATOM 0 H GLY A 40 105.555 -2.243 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.123 -1.764 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.150 -0.399 4.788 1.00 0.00 H new ATOM 661 N ILE A 41 102.431 -0.389 3.777 1.00 0.00 N ATOM 662 CA ILE A 41 101.384 0.053 2.843 1.00 0.00 C ATOM 663 C ILE A 41 100.484 1.143 3.439 1.00 0.00 C ATOM 664 O ILE A 41 100.251 1.198 4.646 1.00 0.00 O ATOM 665 CB ILE A 41 100.531 -1.161 2.397 1.00 0.00 C ATOM 666 CG1 ILE A 41 99.034 -0.885 2.604 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.923 -2.404 3.198 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.221 -2.041 2.023 1.00 0.00 C ATOM 0 H ILE A 41 102.169 -0.356 4.762 1.00 0.00 H new ATOM 0 HA ILE A 41 101.884 0.492 1.979 1.00 0.00 H new ATOM 0 HB ILE A 41 100.719 -1.330 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.817 -0.771 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.755 0.051 2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.317 -3.251 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.977 -2.627 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.755 -2.221 4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.158 -1.848 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.430 -2.134 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.494 -2.968 2.528 1.00 0.00 H new ATOM 680 N LEU A 42 99.968 1.996 2.541 1.00 0.00 N ATOM 681 CA LEU A 42 99.066 3.089 2.910 1.00 0.00 C ATOM 682 C LEU A 42 97.758 2.946 2.131 1.00 0.00 C ATOM 683 O LEU A 42 97.772 2.594 0.952 1.00 0.00 O ATOM 684 CB LEU A 42 99.708 4.446 2.563 1.00 0.00 C ATOM 685 CG LEU A 42 99.509 5.454 3.707 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.444 6.652 3.501 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.051 5.948 3.734 1.00 0.00 C ATOM 0 H LEU A 42 100.166 1.945 1.542 1.00 0.00 H new ATOM 0 HA LEU A 42 98.873 3.045 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.773 4.311 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.267 4.838 1.646 1.00 0.00 H new ATOM 0 HG LEU A 42 99.737 4.963 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.303 7.367 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.479 6.309 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.215 7.133 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.923 6.661 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.813 6.433 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.382 5.101 3.886 1.00 0.00 H new ATOM 699 N VAL A 43 96.637 3.219 2.784 1.00 0.00 N ATOM 700 CA VAL A 43 95.342 3.111 2.121 1.00 0.00 C ATOM 701 C VAL A 43 94.372 4.174 2.633 1.00 0.00 C ATOM 702 O VAL A 43 94.670 4.904 3.578 1.00 0.00 O ATOM 703 CB VAL A 43 94.749 1.711 2.328 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.785 0.658 1.926 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.354 1.501 3.798 1.00 0.00 C ATOM 0 H VAL A 43 96.595 3.513 3.760 1.00 0.00 H new ATOM 0 HA VAL A 43 95.496 3.275 1.055 1.00 0.00 H new ATOM 0 HB VAL A 43 93.857 1.614 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.367 -0.338 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 43 96.050 0.790 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.677 0.771 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 43 93.936 0.502 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.235 1.607 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.610 2.244 4.085 1.00 0.00 H new ATOM 715 N GLY A 44 93.197 4.225 2.016 1.00 0.00 N ATOM 716 CA GLY A 44 92.159 5.172 2.432 1.00 0.00 C ATOM 717 C GLY A 44 91.173 4.470 3.362 1.00 0.00 C ATOM 718 O GLY A 44 90.915 3.276 3.201 1.00 0.00 O ATOM 0 H GLY A 44 92.937 3.628 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.611 6.024 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.637 5.562 1.559 1.00 0.00 H new ATOM 722 N GLN A 45 90.637 5.185 4.352 1.00 0.00 N ATOM 723 CA GLN A 45 89.709 4.575 5.303 1.00 0.00 C ATOM 724 C GLN A 45 88.269 4.611 4.793 1.00 0.00 C ATOM 725 O GLN A 45 87.701 5.693 4.646 1.00 0.00 O ATOM 726 CB GLN A 45 89.764 5.355 6.618 1.00 0.00 C ATOM 727 CG GLN A 45 88.861 4.676 7.652 1.00 0.00 C ATOM 728 CD GLN A 45 89.260 5.106 9.059 1.00 0.00 C ATOM 729 OE1 GLN A 45 90.087 6.003 9.225 1.00 0.00 O ATOM 730 NE2 GLN A 45 88.718 4.516 10.088 1.00 0.00 N ATOM 0 H GLN A 45 90.826 6.174 4.515 1.00 0.00 H new ATOM 0 HA GLN A 45 90.006 3.535 5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.789 5.397 6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.441 6.384 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 45 87.820 4.938 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 45 88.939 3.593 7.559 1.00 0.00 H new ATOM 0 HE21 GLN A 45 88.033 3.773 9.948 1.00 0.00 H new ATOM 0 HE22 GLN A 45 88.979 4.797 11.033 1.00 0.00 H new ATOM 739 N PRO A 46 87.652 3.488 4.539 1.00 0.00 N ATOM 740 CA PRO A 46 86.246 3.464 4.066 1.00 0.00 C ATOM 741 C PRO A 46 85.266 3.520 5.243 1.00 0.00 C ATOM 742 O PRO A 46 85.640 3.254 6.384 1.00 0.00 O ATOM 743 CB PRO A 46 86.169 2.141 3.317 1.00 0.00 C ATOM 744 CG PRO A 46 87.087 1.239 4.085 1.00 0.00 C ATOM 745 CD PRO A 46 88.203 2.133 4.657 1.00 0.00 C ATOM 0 HA PRO A 46 85.977 4.318 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.151 1.752 3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.490 2.249 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.550 0.730 4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.502 0.467 3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.428 1.880 5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.130 2.027 4.094 1.00 0.00 H new ATOM 753 N GLN A 47 84.020 3.886 4.964 1.00 0.00 N ATOM 754 CA GLN A 47 83.007 3.997 6.014 1.00 0.00 C ATOM 755 C GLN A 47 82.689 2.643 6.654 1.00 0.00 C ATOM 756 O GLN A 47 82.491 2.557 7.866 1.00 0.00 O ATOM 757 CB GLN A 47 81.723 4.589 5.432 1.00 0.00 C ATOM 758 CG GLN A 47 82.056 5.852 4.636 1.00 0.00 C ATOM 759 CD GLN A 47 80.782 6.449 4.050 1.00 0.00 C ATOM 760 OE1 GLN A 47 79.687 5.947 4.303 1.00 0.00 O ATOM 761 NE2 GLN A 47 80.858 7.498 3.278 1.00 0.00 N ATOM 0 H GLN A 47 83.686 4.110 4.027 1.00 0.00 H new ATOM 0 HA GLN A 47 83.411 4.649 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.233 3.859 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.024 4.826 6.234 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.545 6.581 5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 47 82.757 5.614 3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 47 81.766 7.913 3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 47 80.009 7.903 2.883 1.00 0.00 H new ATOM 770 N ASP A 48 82.616 1.598 5.837 1.00 0.00 N ATOM 771 CA ASP A 48 82.292 0.261 6.340 1.00 0.00 C ATOM 772 C ASP A 48 83.451 -0.345 7.134 1.00 0.00 C ATOM 773 O ASP A 48 83.415 -1.525 7.488 1.00 0.00 O ATOM 774 CB ASP A 48 81.930 -0.659 5.169 1.00 0.00 C ATOM 775 CG ASP A 48 80.468 -0.462 4.779 1.00 0.00 C ATOM 776 OD1 ASP A 48 80.074 0.676 4.589 1.00 0.00 O ATOM 777 OD2 ASP A 48 79.762 -1.454 4.682 1.00 0.00 O ATOM 0 H ASP A 48 82.775 1.646 4.831 1.00 0.00 H new ATOM 0 HA ASP A 48 81.441 0.357 7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.574 -0.445 4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.103 -1.699 5.446 1.00 0.00 H new ATOM 782 N TRP A 49 84.475 0.454 7.405 1.00 0.00 N ATOM 783 CA TRP A 49 85.636 -0.027 8.153 1.00 0.00 C ATOM 784 C TRP A 49 85.249 -0.529 9.538 1.00 0.00 C ATOM 785 O TRP A 49 85.641 0.056 10.544 1.00 0.00 O ATOM 786 CB TRP A 49 86.646 1.102 8.314 1.00 0.00 C ATOM 787 CG TRP A 49 87.913 0.581 8.917 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.224 0.617 10.231 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.025 -0.045 8.244 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.485 0.057 10.410 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.027 -0.357 9.199 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.256 -0.359 6.897 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.226 -0.965 8.802 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.448 -0.967 6.505 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.430 -1.262 7.450 1.00 0.00 C ATOM 0 H TRP A 49 84.528 1.432 7.121 1.00 0.00 H new ATOM 0 HA TRP A 49 86.066 -0.855 7.590 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.855 1.553 7.344 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.229 1.885 8.947 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.596 1.015 11.015 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.951 -0.037 11.312 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.504 -0.128 6.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.985 -1.202 9.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.611 -1.210 5.466 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.355 -1.723 7.136 1.00 0.00 H new ATOM 806 N ASN A 50 84.504 -1.625 9.599 1.00 0.00 N ATOM 807 CA ASN A 50 84.126 -2.184 10.894 1.00 0.00 C ATOM 808 C ASN A 50 85.138 -3.247 11.307 1.00 0.00 C ATOM 809 O ASN A 50 84.882 -4.443 11.172 1.00 0.00 O ATOM 810 CB ASN A 50 82.723 -2.791 10.834 1.00 0.00 C ATOM 811 CG ASN A 50 82.291 -3.233 12.228 1.00 0.00 C ATOM 812 OD1 ASN A 50 83.058 -4.038 12.913 1.00 0.00 O flip ATOM 813 ND2 ASN A 50 81.229 -2.836 12.706 1.00 0.00 N flip ATOM 0 H ASN A 50 84.155 -2.136 8.788 1.00 0.00 H new ATOM 0 HA ASN A 50 84.120 -1.382 11.633 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.017 -2.060 10.439 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.714 -3.642 10.154 1.00 0.00 H new ATOM 0 HD21 ASN A 50 80.632 -2.207 12.169 1.00 0.00 H new ATOM 0 HD22 ASN A 50 80.946 -3.136 13.639 1.00 0.00 H new ATOM 820 N GLY A 51 86.291 -2.805 11.802 1.00 0.00 N ATOM 821 CA GLY A 51 87.340 -3.732 12.218 1.00 0.00 C ATOM 822 C GLY A 51 88.086 -3.207 13.437 1.00 0.00 C ATOM 823 O GLY A 51 88.292 -2.004 13.580 1.00 0.00 O ATOM 0 H GLY A 51 86.522 -1.819 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.901 -4.703 12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.041 -3.885 11.397 1.00 0.00 H new ATOM 827 N ASP A 52 88.481 -4.124 14.315 1.00 0.00 N ATOM 828 CA ASP A 52 89.201 -3.759 15.532 1.00 0.00 C ATOM 829 C ASP A 52 90.675 -3.461 15.233 1.00 0.00 C ATOM 830 O ASP A 52 91.427 -4.362 14.860 1.00 0.00 O ATOM 831 CB ASP A 52 89.113 -4.910 16.539 1.00 0.00 C ATOM 832 CG ASP A 52 89.415 -4.403 17.944 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.076 -3.382 18.055 1.00 0.00 O ATOM 834 OD2 ASP A 52 88.981 -5.040 18.889 1.00 0.00 O ATOM 0 H ASP A 52 88.315 -5.125 14.207 1.00 0.00 H new ATOM 0 HA ASP A 52 88.743 -2.860 15.945 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.117 -5.353 16.510 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.819 -5.695 16.268 1.00 0.00 H new ATOM 839 N PRO A 53 91.108 -2.231 15.390 1.00 0.00 N ATOM 840 CA PRO A 53 92.528 -1.840 15.134 1.00 0.00 C ATOM 841 C PRO A 53 93.523 -2.754 15.833 1.00 0.00 C ATOM 842 O PRO A 53 94.686 -2.836 15.439 1.00 0.00 O ATOM 843 CB PRO A 53 92.625 -0.412 15.680 1.00 0.00 C ATOM 844 CG PRO A 53 91.233 0.123 15.642 1.00 0.00 C ATOM 845 CD PRO A 53 90.301 -1.076 15.825 1.00 0.00 C ATOM 0 HA PRO A 53 92.777 -1.915 14.076 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.020 -0.406 16.696 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.296 0.196 15.073 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.078 0.858 16.432 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.037 0.626 14.695 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.984 -1.180 16.863 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.397 -0.973 15.225 1.00 0.00 H new ATOM 853 N GLN A 54 93.072 -3.422 16.884 1.00 0.00 N ATOM 854 CA GLN A 54 93.952 -4.303 17.636 1.00 0.00 C ATOM 855 C GLN A 54 94.172 -5.632 16.917 1.00 0.00 C ATOM 856 O GLN A 54 95.181 -6.300 17.140 1.00 0.00 O ATOM 857 CB GLN A 54 93.373 -4.555 19.029 1.00 0.00 C ATOM 858 CG GLN A 54 92.956 -3.224 19.659 1.00 0.00 C ATOM 859 CD GLN A 54 94.130 -2.252 19.652 1.00 0.00 C ATOM 860 OE1 GLN A 54 95.330 -2.689 19.921 1.00 0.00 O flip ATOM 861 NE2 GLN A 54 93.951 -1.061 19.394 1.00 0.00 N flip ATOM 0 H GLN A 54 92.115 -3.372 17.232 1.00 0.00 H new ATOM 0 HA GLN A 54 94.919 -3.808 17.725 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.514 -5.222 18.962 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.113 -5.051 19.657 1.00 0.00 H new ATOM 0 HG2 GLN A 54 92.118 -2.798 19.107 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.615 -3.387 20.681 1.00 0.00 H new ATOM 0 HE21 GLN A 54 93.013 -0.720 19.184 1.00 0.00 H new ATOM 0 HE22 GLN A 54 94.741 -0.416 19.390 1.00 0.00 H new ATOM 870 N ARG A 55 93.235 -6.015 16.054 1.00 0.00 N ATOM 871 CA ARG A 55 93.368 -7.272 15.317 1.00 0.00 C ATOM 872 C ARG A 55 94.039 -7.020 13.966 1.00 0.00 C ATOM 873 O ARG A 55 93.933 -5.932 13.408 1.00 0.00 O ATOM 874 CB ARG A 55 91.993 -7.920 15.115 1.00 0.00 C ATOM 875 CG ARG A 55 91.635 -8.766 16.340 1.00 0.00 C ATOM 876 CD ARG A 55 90.273 -9.429 16.124 1.00 0.00 C ATOM 877 NE ARG A 55 89.202 -8.458 16.321 1.00 0.00 N ATOM 878 CZ ARG A 55 87.933 -8.778 16.093 1.00 0.00 C ATOM 879 NH1 ARG A 55 87.625 -9.979 15.686 1.00 0.00 N ATOM 880 NH2 ARG A 55 86.994 -7.890 16.277 1.00 0.00 N ATOM 0 H ARG A 55 92.388 -5.485 15.849 1.00 0.00 H new ATOM 0 HA ARG A 55 93.990 -7.954 15.897 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.237 -7.150 14.959 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.002 -8.543 14.221 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.399 -9.526 16.506 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.609 -8.140 17.232 1.00 0.00 H new ATOM 0 HD2 ARG A 55 90.218 -9.843 15.117 1.00 0.00 H new ATOM 0 HD3 ARG A 55 90.151 -10.261 16.818 1.00 0.00 H new ATOM 0 HE ARG A 55 89.432 -7.517 16.639 1.00 0.00 H new ATOM 0 HH11 ARG A 55 88.359 -10.673 15.543 1.00 0.00 H new ATOM 0 HH12 ARG A 55 86.650 -10.224 15.511 1.00 0.00 H new ATOM 0 HH21 ARG A 55 87.235 -6.951 16.596 1.00 0.00 H new ATOM 0 HH22 ARG A 55 86.019 -8.135 16.102 1.00 0.00 H new ATOM 894 N PRO A 56 94.743 -7.997 13.452 1.00 0.00 N ATOM 895 CA PRO A 56 95.473 -7.874 12.153 1.00 0.00 C ATOM 896 C PRO A 56 94.551 -7.633 10.958 1.00 0.00 C ATOM 897 O PRO A 56 93.352 -7.904 11.006 1.00 0.00 O ATOM 898 CB PRO A 56 96.226 -9.204 12.018 1.00 0.00 C ATOM 899 CG PRO A 56 95.503 -10.162 12.909 1.00 0.00 C ATOM 900 CD PRO A 56 94.923 -9.329 14.050 1.00 0.00 C ATOM 0 HA PRO A 56 96.132 -7.006 12.154 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.226 -9.552 10.985 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.268 -9.098 12.319 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.713 -10.679 12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.181 -10.926 13.290 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.978 -9.740 14.405 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.598 -9.296 14.905 1.00 0.00 H new ATOM 908 N PHE A 57 95.149 -7.127 9.882 1.00 0.00 N ATOM 909 CA PHE A 57 94.429 -6.845 8.644 1.00 0.00 C ATOM 910 C PHE A 57 95.196 -7.456 7.466 1.00 0.00 C ATOM 911 O PHE A 57 96.409 -7.633 7.554 1.00 0.00 O ATOM 912 CB PHE A 57 94.336 -5.323 8.434 1.00 0.00 C ATOM 913 CG PHE A 57 93.585 -4.675 9.580 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.206 -4.508 10.824 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.268 -4.235 9.395 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.507 -3.906 11.879 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.573 -3.634 10.449 1.00 0.00 C ATOM 918 CZ PHE A 57 92.190 -3.470 11.691 1.00 0.00 C ATOM 0 H PHE A 57 96.143 -6.902 9.844 1.00 0.00 H new ATOM 0 HA PHE A 57 93.428 -7.271 8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.337 -4.898 8.361 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.830 -5.110 7.493 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.222 -4.843 10.970 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.788 -4.360 8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 57 93.985 -3.778 12.839 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.558 -3.296 10.302 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.652 -3.008 12.505 1.00 0.00 H new ATOM 928 N GLU A 58 94.512 -7.760 6.362 1.00 0.00 N ATOM 929 CA GLU A 58 95.198 -8.324 5.189 1.00 0.00 C ATOM 930 C GLU A 58 94.938 -7.433 3.980 1.00 0.00 C ATOM 931 O GLU A 58 93.835 -6.924 3.817 1.00 0.00 O ATOM 932 CB GLU A 58 94.714 -9.750 4.913 1.00 0.00 C ATOM 933 CG GLU A 58 94.539 -10.500 6.235 1.00 0.00 C ATOM 934 CD GLU A 58 94.488 -12.004 5.979 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.994 -12.389 4.932 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.945 -12.746 6.834 1.00 0.00 O ATOM 0 H GLU A 58 93.506 -7.631 6.251 1.00 0.00 H new ATOM 0 HA GLU A 58 96.269 -8.365 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.769 -9.725 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.432 -10.272 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.364 -10.265 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 58 93.623 -10.175 6.728 1.00 0.00 H new ATOM 943 N ALA A 59 95.955 -7.202 3.155 1.00 0.00 N ATOM 944 CA ALA A 59 95.799 -6.320 2.001 1.00 0.00 C ATOM 945 C ALA A 59 96.040 -7.040 0.680 1.00 0.00 C ATOM 946 O ALA A 59 97.021 -7.768 0.523 1.00 0.00 O ATOM 947 CB ALA A 59 96.815 -5.174 2.117 1.00 0.00 C ATOM 0 H ALA A 59 96.885 -7.607 3.261 1.00 0.00 H new ATOM 0 HA ALA A 59 94.772 -5.954 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.710 -4.507 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.632 -4.617 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.825 -5.584 2.136 1.00 0.00 H new ATOM 953 N ARG A 60 95.166 -6.776 -0.284 1.00 0.00 N ATOM 954 CA ARG A 60 95.306 -7.343 -1.618 1.00 0.00 C ATOM 955 C ARG A 60 95.365 -6.197 -2.620 1.00 0.00 C ATOM 956 O ARG A 60 94.507 -5.314 -2.601 1.00 0.00 O ATOM 957 CB ARG A 60 94.106 -8.238 -1.946 1.00 0.00 C ATOM 958 CG ARG A 60 93.979 -9.356 -0.898 1.00 0.00 C ATOM 959 CD ARG A 60 94.191 -10.721 -1.557 1.00 0.00 C ATOM 960 NE ARG A 60 93.924 -11.789 -0.600 1.00 0.00 N ATOM 961 CZ ARG A 60 92.692 -12.032 -0.166 1.00 0.00 C ATOM 962 NH1 ARG A 60 91.693 -11.314 -0.600 1.00 0.00 N ATOM 963 NH2 ARG A 60 92.479 -12.992 0.692 1.00 0.00 N ATOM 0 H ARG A 60 94.352 -6.172 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 60 96.213 -7.945 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.193 -7.643 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.226 -8.671 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 60 94.713 -9.208 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 60 92.995 -9.318 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 60 93.533 -10.823 -2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 60 95.214 -10.800 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 60 94.697 -12.360 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 60 91.857 -10.565 -1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 60 90.747 -11.501 -0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 60 93.259 -13.556 1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 60 91.533 -13.178 1.025 1.00 0.00 H new ATOM 977 N LEU A 61 96.382 -6.187 -3.473 1.00 0.00 N ATOM 978 CA LEU A 61 96.529 -5.105 -4.446 1.00 0.00 C ATOM 979 C LEU A 61 96.294 -5.604 -5.866 1.00 0.00 C ATOM 980 O LEU A 61 96.545 -6.769 -6.176 1.00 0.00 O ATOM 981 CB LEU A 61 97.936 -4.507 -4.352 1.00 0.00 C ATOM 982 CG LEU A 61 98.071 -3.669 -3.076 1.00 0.00 C ATOM 983 CD1 LEU A 61 98.020 -4.575 -1.838 1.00 0.00 C ATOM 984 CD2 LEU A 61 99.408 -2.921 -3.107 1.00 0.00 C ATOM 0 H LEU A 61 97.108 -6.902 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 61 95.783 -4.344 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.679 -5.305 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.134 -3.887 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 61 97.247 -2.957 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 61 98.117 -3.967 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 61 97.069 -5.107 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 61 98.838 -5.295 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 61 99.511 -2.322 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 61 100.226 -3.640 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 61 99.440 -2.268 -3.979 1.00 0.00 H new ATOM 996 N TYR A 62 95.819 -4.708 -6.729 1.00 0.00 N ATOM 997 CA TYR A 62 95.563 -5.059 -8.122 1.00 0.00 C ATOM 998 C TYR A 62 96.169 -4.016 -9.060 1.00 0.00 C ATOM 999 O TYR A 62 95.681 -2.883 -9.144 1.00 0.00 O ATOM 1000 CB TYR A 62 94.060 -5.143 -8.388 1.00 0.00 C ATOM 1001 CG TYR A 62 93.374 -5.862 -7.256 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.280 -7.259 -7.267 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.823 -5.132 -6.199 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.636 -7.923 -6.219 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.177 -5.796 -5.151 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.084 -7.194 -5.161 1.00 0.00 C ATOM 1007 OH TYR A 62 91.449 -7.852 -4.129 1.00 0.00 O ATOM 0 H TYR A 62 95.605 -3.740 -6.489 1.00 0.00 H new ATOM 0 HA TYR A 62 96.023 -6.030 -8.308 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.645 -4.141 -8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.877 -5.667 -9.326 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.705 -7.823 -8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 62 92.896 -4.055 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.565 -9.001 -6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 62 91.750 -5.232 -4.335 1.00 0.00 H new ATOM 0 HH TYR A 62 91.850 -8.738 -4.010 1.00 0.00 H new ATOM 1017 N LEU A 63 97.223 -4.412 -9.773 1.00 0.00 N ATOM 1018 CA LEU A 63 97.882 -3.520 -10.723 1.00 0.00 C ATOM 1019 C LEU A 63 97.474 -3.915 -12.141 1.00 0.00 C ATOM 1020 O LEU A 63 96.515 -3.374 -12.692 1.00 0.00 O ATOM 1021 CB LEU A 63 99.406 -3.607 -10.563 1.00 0.00 C ATOM 1022 CG LEU A 63 100.059 -2.321 -11.085 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.583 -2.434 -10.964 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.673 -2.106 -12.553 1.00 0.00 C ATOM 0 H LEU A 63 97.637 -5.342 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 63 97.577 -2.491 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.663 -3.756 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.789 -4.468 -11.110 1.00 0.00 H new ATOM 0 HG LEU A 63 99.711 -1.474 -10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 63 102.046 -1.520 -11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.855 -2.580 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.933 -3.283 -11.552 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.138 -1.192 -12.921 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.016 -2.953 -13.147 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.590 -2.020 -12.636 1.00 0.00 H new ATOM 1036 N GLY A 64 98.184 -4.881 -12.714 1.00 0.00 N ATOM 1037 CA GLY A 64 97.858 -5.360 -14.050 1.00 0.00 C ATOM 1038 C GLY A 64 96.617 -6.238 -13.973 1.00 0.00 C ATOM 1039 O GLY A 64 96.062 -6.430 -12.890 1.00 0.00 O ATOM 0 H GLY A 64 98.982 -5.343 -12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.682 -4.518 -14.719 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.694 -5.925 -14.462 1.00 0.00 H new ATOM 1043 N LEU A 65 96.165 -6.766 -15.104 1.00 0.00 N ATOM 1044 CA LEU A 65 94.974 -7.604 -15.084 1.00 0.00 C ATOM 1045 C LEU A 65 95.301 -8.972 -14.491 1.00 0.00 C ATOM 1046 O LEU A 65 94.458 -9.595 -13.847 1.00 0.00 O ATOM 1047 CB LEU A 65 94.404 -7.774 -16.498 1.00 0.00 C ATOM 1048 CG LEU A 65 93.942 -6.422 -17.063 1.00 0.00 C ATOM 1049 CD1 LEU A 65 92.907 -5.784 -16.126 1.00 0.00 C ATOM 1050 CD2 LEU A 65 95.144 -5.480 -17.223 1.00 0.00 C ATOM 0 H LEU A 65 96.591 -6.634 -16.022 1.00 0.00 H new ATOM 0 HA LEU A 65 94.224 -7.114 -14.463 1.00 0.00 H new ATOM 0 HB2 LEU A 65 95.161 -8.207 -17.151 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.566 -8.470 -16.476 1.00 0.00 H new ATOM 0 HG LEU A 65 93.485 -6.588 -18.039 1.00 0.00 H new ATOM 0 HD11 LEU A 65 92.586 -4.826 -16.536 1.00 0.00 H new ATOM 0 HD12 LEU A 65 92.045 -6.445 -16.032 1.00 0.00 H new ATOM 0 HD13 LEU A 65 93.353 -5.627 -15.144 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.806 -4.524 -17.624 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.613 -5.321 -16.252 1.00 0.00 H new ATOM 0 HD23 LEU A 65 95.867 -5.925 -17.907 1.00 0.00 H new ATOM 1062 N ASP A 66 96.527 -9.434 -14.716 1.00 0.00 N ATOM 1063 CA ASP A 66 96.987 -10.726 -14.218 1.00 0.00 C ATOM 1064 C ASP A 66 97.880 -10.555 -12.992 1.00 0.00 C ATOM 1065 O ASP A 66 98.516 -11.509 -12.545 1.00 0.00 O ATOM 1066 CB ASP A 66 97.816 -11.396 -15.315 1.00 0.00 C ATOM 1067 CG ASP A 66 97.028 -11.414 -16.620 1.00 0.00 C ATOM 1068 OD1 ASP A 66 96.018 -12.098 -16.671 1.00 0.00 O ATOM 1069 OD2 ASP A 66 97.446 -10.744 -17.550 1.00 0.00 O ATOM 0 H ASP A 66 97.230 -8.923 -15.249 1.00 0.00 H new ATOM 0 HA ASP A 66 96.118 -11.325 -13.945 1.00 0.00 H new ATOM 0 HB2 ASP A 66 98.754 -10.859 -15.454 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.072 -12.414 -15.020 1.00 0.00 H new ATOM 1074 N VAL A 67 97.945 -9.335 -12.463 1.00 0.00 N ATOM 1075 CA VAL A 67 98.792 -9.067 -11.302 1.00 0.00 C ATOM 1076 C VAL A 67 97.973 -8.961 -10.020 1.00 0.00 C ATOM 1077 O VAL A 67 97.483 -7.889 -9.659 1.00 0.00 O ATOM 1078 CB VAL A 67 99.602 -7.778 -11.526 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.092 -7.215 -10.183 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.816 -8.091 -12.407 1.00 0.00 C ATOM 0 H VAL A 67 97.430 -8.527 -12.813 1.00 0.00 H new ATOM 0 HA VAL A 67 99.477 -9.907 -11.187 1.00 0.00 H new ATOM 0 HB VAL A 67 98.963 -7.040 -12.012 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.663 -6.303 -10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.235 -6.990 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.726 -7.952 -9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.393 -7.180 -12.568 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.442 -8.834 -11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.478 -8.481 -13.367 1.00 0.00 H new ATOM 1090 N LEU A 68 97.865 -10.089 -9.327 1.00 0.00 N ATOM 1091 CA LEU A 68 97.148 -10.150 -8.061 1.00 0.00 C ATOM 1092 C LEU A 68 98.169 -10.354 -6.945 1.00 0.00 C ATOM 1093 O LEU A 68 98.879 -11.360 -6.925 1.00 0.00 O ATOM 1094 CB LEU A 68 96.136 -11.311 -8.098 1.00 0.00 C ATOM 1095 CG LEU A 68 95.875 -11.854 -6.686 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.271 -10.754 -5.808 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.891 -13.024 -6.771 1.00 0.00 C ATOM 0 H LEU A 68 98.268 -10.978 -9.624 1.00 0.00 H new ATOM 0 HA LEU A 68 96.597 -9.226 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.200 -10.969 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.516 -12.110 -8.735 1.00 0.00 H new ATOM 0 HG LEU A 68 96.816 -12.188 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.088 -11.146 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.964 -9.915 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.330 -10.417 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.702 -13.414 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.954 -12.680 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 68 95.315 -13.812 -7.393 1.00 0.00 H new ATOM 1109 N ILE A 69 98.258 -9.391 -6.030 1.00 0.00 N ATOM 1110 CA ILE A 69 99.225 -9.484 -4.934 1.00 0.00 C ATOM 1111 C ILE A 69 98.525 -9.577 -3.581 1.00 0.00 C ATOM 1112 O ILE A 69 97.490 -8.950 -3.359 1.00 0.00 O ATOM 1113 CB ILE A 69 100.155 -8.266 -4.969 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.057 -8.358 -6.217 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.019 -8.234 -3.700 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.186 -6.983 -6.879 1.00 0.00 C ATOM 0 H ILE A 69 97.683 -8.549 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 69 99.810 -10.394 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 69 99.562 -7.352 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.043 -8.728 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.638 -9.073 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.678 -7.366 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.375 -8.170 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.618 -9.143 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.825 -7.061 -7.759 1.00 0.00 H new ATOM 0 HD12 ILE A 69 100.199 -6.629 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.626 -6.279 -6.173 1.00 0.00 H new ATOM 1128 N ARG A 70 99.113 -10.360 -2.673 1.00 0.00 N ATOM 1129 CA ARG A 70 98.561 -10.528 -1.330 1.00 0.00 C ATOM 1130 C ARG A 70 99.625 -10.269 -0.264 1.00 0.00 C ATOM 1131 O ARG A 70 100.732 -10.819 -0.320 1.00 0.00 O ATOM 1132 CB ARG A 70 98.000 -11.941 -1.173 1.00 0.00 C ATOM 1133 CG ARG A 70 99.098 -12.962 -1.480 1.00 0.00 C ATOM 1134 CD ARG A 70 98.472 -14.338 -1.718 1.00 0.00 C ATOM 1135 NE ARG A 70 99.484 -15.275 -2.191 1.00 0.00 N ATOM 1136 CZ ARG A 70 99.866 -15.290 -3.465 1.00 0.00 C ATOM 1137 NH1 ARG A 70 99.326 -14.464 -4.318 1.00 0.00 N ATOM 1138 NH2 ARG A 70 100.780 -16.133 -3.860 1.00 0.00 N ATOM 0 H ARG A 70 99.970 -10.886 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 70 97.759 -9.802 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.627 -12.085 -0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.155 -12.086 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 70 99.661 -12.651 -2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 70 99.804 -13.012 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 70 98.026 -14.708 -0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 70 97.668 -14.259 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 70 99.906 -15.930 -1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 70 98.611 -13.806 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 70 99.619 -14.476 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 70 101.200 -16.779 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 70 101.074 -16.146 -4.837 1.00 0.00 H new ATOM 1152 N MET A 71 99.276 -9.439 0.718 1.00 0.00 N ATOM 1153 CA MET A 71 100.192 -9.113 1.808 1.00 0.00 C ATOM 1154 C MET A 71 99.425 -9.059 3.125 1.00 0.00 C ATOM 1155 O MET A 71 98.259 -8.675 3.153 1.00 0.00 O ATOM 1156 CB MET A 71 100.866 -7.750 1.558 1.00 0.00 C ATOM 1157 CG MET A 71 100.984 -7.479 0.053 1.00 0.00 C ATOM 1158 SD MET A 71 102.400 -6.391 -0.279 1.00 0.00 S ATOM 1159 CE MET A 71 102.166 -5.214 1.076 1.00 0.00 C ATOM 0 H MET A 71 98.367 -8.981 0.780 1.00 0.00 H new ATOM 0 HA MET A 71 100.960 -9.885 1.858 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.286 -6.958 2.032 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.856 -7.737 2.015 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.105 -8.419 -0.485 1.00 0.00 H new ATOM 0 HG3 MET A 71 100.067 -7.017 -0.314 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.683 -4.283 0.843 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.102 -5.015 1.206 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.572 -5.634 1.997 1.00 0.00 H new ATOM 1169 N GLU A 72 100.091 -9.421 4.213 1.00 0.00 N ATOM 1170 CA GLU A 72 99.461 -9.380 5.528 1.00 0.00 C ATOM 1171 C GLU A 72 99.958 -8.134 6.245 1.00 0.00 C ATOM 1172 O GLU A 72 101.156 -7.855 6.222 1.00 0.00 O ATOM 1173 CB GLU A 72 99.822 -10.634 6.330 1.00 0.00 C ATOM 1174 CG GLU A 72 98.923 -10.735 7.568 1.00 0.00 C ATOM 1175 CD GLU A 72 97.631 -11.463 7.219 1.00 0.00 C ATOM 1176 OE1 GLU A 72 97.256 -11.441 6.058 1.00 0.00 O ATOM 1177 OE2 GLU A 72 97.035 -12.033 8.118 1.00 0.00 O ATOM 0 H GLU A 72 101.059 -9.744 4.214 1.00 0.00 H new ATOM 0 HA GLU A 72 98.376 -9.350 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.702 -11.521 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.869 -10.595 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.445 -11.266 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 98.697 -9.738 7.945 1.00 0.00 H new ATOM 1184 N ILE A 73 99.062 -7.354 6.845 1.00 0.00 N ATOM 1185 CA ILE A 73 99.503 -6.125 7.497 1.00 0.00 C ATOM 1186 C ILE A 73 98.742 -5.829 8.790 1.00 0.00 C ATOM 1187 O ILE A 73 97.620 -6.287 8.989 1.00 0.00 O ATOM 1188 CB ILE A 73 99.305 -4.969 6.511 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.819 -4.570 6.471 1.00 0.00 C ATOM 1190 CG2 ILE A 73 99.749 -5.424 5.119 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.557 -3.573 5.333 1.00 0.00 C ATOM 0 H ILE A 73 98.061 -7.541 6.894 1.00 0.00 H new ATOM 0 HA ILE A 73 100.551 -6.244 7.773 1.00 0.00 H new ATOM 0 HB ILE A 73 99.897 -4.110 6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.202 -5.458 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.530 -4.126 7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.612 -4.608 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 73 100.801 -5.708 5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.150 -6.280 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.501 -3.303 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.159 -2.677 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.825 -4.030 4.380 1.00 0.00 H new ATOM 1203 N SER A 74 99.369 -5.034 9.654 1.00 0.00 N ATOM 1204 CA SER A 74 98.763 -4.641 10.927 1.00 0.00 C ATOM 1205 C SER A 74 98.671 -3.118 11.007 1.00 0.00 C ATOM 1206 O SER A 74 99.421 -2.411 10.334 1.00 0.00 O ATOM 1207 CB SER A 74 99.594 -5.172 12.096 1.00 0.00 C ATOM 1208 OG SER A 74 99.321 -4.399 13.257 1.00 0.00 O ATOM 0 H SER A 74 100.300 -4.647 9.496 1.00 0.00 H new ATOM 0 HA SER A 74 97.761 -5.067 10.986 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.357 -6.220 12.279 1.00 0.00 H new ATOM 0 HB3 SER A 74 100.656 -5.123 11.854 1.00 0.00 H new ATOM 0 HG SER A 74 99.851 -4.738 14.008 1.00 0.00 H new ATOM 1214 N LEU A 75 97.733 -2.615 11.811 1.00 0.00 N ATOM 1215 CA LEU A 75 97.536 -1.172 11.940 1.00 0.00 C ATOM 1216 C LEU A 75 98.758 -0.519 12.567 1.00 0.00 C ATOM 1217 O LEU A 75 99.102 -0.785 13.719 1.00 0.00 O ATOM 1218 CB LEU A 75 96.303 -0.904 12.825 1.00 0.00 C ATOM 1219 CG LEU A 75 95.665 0.457 12.491 1.00 0.00 C ATOM 1220 CD1 LEU A 75 96.731 1.554 12.465 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.963 0.393 11.130 1.00 0.00 C ATOM 0 H LEU A 75 97.102 -3.181 12.378 1.00 0.00 H new ATOM 0 HA LEU A 75 97.383 -0.748 10.947 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.570 -1.698 12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.594 -0.925 13.875 1.00 0.00 H new ATOM 0 HG LEU A 75 94.932 0.691 13.263 1.00 0.00 H new ATOM 0 HD11 LEU A 75 96.264 2.510 12.227 1.00 0.00 H new ATOM 0 HD12 LEU A 75 97.211 1.618 13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 75 97.478 1.317 11.708 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.516 1.361 10.905 1.00 0.00 H new ATOM 0 HD22 LEU A 75 95.689 0.141 10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.184 -0.369 11.158 1.00 0.00 H new ATOM 1233 N ALA A 76 99.381 0.381 11.809 1.00 0.00 N ATOM 1234 CA ALA A 76 100.530 1.121 12.305 1.00 0.00 C ATOM 1235 C ALA A 76 100.088 2.494 12.821 1.00 0.00 C ATOM 1236 O ALA A 76 100.565 2.965 13.853 1.00 0.00 O ATOM 1237 CB ALA A 76 101.599 1.248 11.224 1.00 0.00 C ATOM 0 H ALA A 76 99.108 0.612 10.854 1.00 0.00 H new ATOM 0 HA ALA A 76 100.971 0.572 13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.449 1.805 11.617 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.926 0.255 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.186 1.775 10.364 1.00 0.00 H new ATOM 1243 N TRP A 77 99.173 3.133 12.085 1.00 0.00 N ATOM 1244 CA TRP A 77 98.672 4.458 12.473 1.00 0.00 C ATOM 1245 C TRP A 77 97.473 4.862 11.606 1.00 0.00 C ATOM 1246 O TRP A 77 97.183 4.221 10.596 1.00 0.00 O ATOM 1247 CB TRP A 77 99.786 5.496 12.288 1.00 0.00 C ATOM 1248 CG TRP A 77 100.135 5.517 10.843 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.117 4.787 10.279 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.512 6.274 9.762 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.111 5.006 8.924 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.152 5.924 8.556 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.458 7.203 9.705 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.775 6.476 7.337 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.068 7.762 8.474 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.732 7.403 7.291 1.00 0.00 C ATOM 0 H TRP A 77 98.767 2.761 11.227 1.00 0.00 H new ATOM 0 HA TRP A 77 98.358 4.416 13.516 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.453 6.480 12.617 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.657 5.237 12.890 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.798 4.136 10.807 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.741 4.544 8.268 1.00 0.00 H new ATOM 0 HE3 TRP A 77 97.945 7.489 10.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.286 6.189 6.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.254 8.471 8.439 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.438 7.842 6.349 1.00 0.00 H new ATOM 1267 N ALA A 78 96.799 5.945 11.997 1.00 0.00 N ATOM 1268 CA ALA A 78 95.652 6.451 11.238 1.00 0.00 C ATOM 1269 C ALA A 78 95.529 7.962 11.425 1.00 0.00 C ATOM 1270 O ALA A 78 95.431 8.440 12.555 1.00 0.00 O ATOM 1271 CB ALA A 78 94.373 5.790 11.759 1.00 0.00 C ATOM 0 H ALA A 78 97.025 6.487 12.831 1.00 0.00 H new ATOM 0 HA ALA A 78 95.795 6.222 10.182 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.516 6.163 11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.445 4.709 11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.246 6.026 12.815 1.00 0.00 H new ATOM 1277 N ARG A 79 95.527 8.719 10.326 1.00 0.00 N ATOM 1278 CA ARG A 79 95.403 10.173 10.438 1.00 0.00 C ATOM 1279 C ARG A 79 94.750 10.801 9.198 1.00 0.00 C ATOM 1280 O ARG A 79 95.170 10.545 8.069 1.00 0.00 O ATOM 1281 CB ARG A 79 96.791 10.779 10.715 1.00 0.00 C ATOM 1282 CG ARG A 79 96.998 12.074 9.918 1.00 0.00 C ATOM 1283 CD ARG A 79 98.287 12.768 10.381 1.00 0.00 C ATOM 1284 NE ARG A 79 97.971 14.056 10.985 1.00 0.00 N ATOM 1285 CZ ARG A 79 98.890 15.008 11.089 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.101 14.797 10.653 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.582 16.156 11.629 1.00 0.00 N ATOM 0 H ARG A 79 95.607 8.362 9.374 1.00 0.00 H new ATOM 0 HA ARG A 79 94.739 10.399 11.272 1.00 0.00 H new ATOM 0 HB2 ARG A 79 96.896 10.984 11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.565 10.058 10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 79 97.056 11.851 8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.146 12.739 10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.810 12.138 11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.958 12.909 9.534 1.00 0.00 H new ATOM 0 HE ARG A 79 97.028 14.229 11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.342 13.900 10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 79 100.807 15.529 10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 79 97.635 16.321 11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 79 99.288 16.888 11.709 1.00 0.00 H new ATOM 1301 N ASP A 80 93.764 11.672 9.426 1.00 0.00 N ATOM 1302 CA ASP A 80 93.111 12.387 8.327 1.00 0.00 C ATOM 1303 C ASP A 80 92.535 11.452 7.261 1.00 0.00 C ATOM 1304 O ASP A 80 92.723 11.686 6.067 1.00 0.00 O ATOM 1305 CB ASP A 80 94.108 13.353 7.676 1.00 0.00 C ATOM 1306 CG ASP A 80 94.243 14.616 8.522 1.00 0.00 C ATOM 1307 OD1 ASP A 80 94.782 14.523 9.612 1.00 0.00 O ATOM 1308 OD2 ASP A 80 93.805 15.659 8.066 1.00 0.00 O ATOM 0 H ASP A 80 93.403 11.898 10.353 1.00 0.00 H new ATOM 0 HA ASP A 80 92.273 12.933 8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.080 12.870 7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 80 93.772 13.613 6.672 1.00 0.00 H new ATOM 1313 N GLY A 81 91.813 10.416 7.671 1.00 0.00 N ATOM 1314 CA GLY A 81 91.208 9.509 6.701 1.00 0.00 C ATOM 1315 C GLY A 81 92.256 8.696 5.953 1.00 0.00 C ATOM 1316 O GLY A 81 91.944 8.033 4.964 1.00 0.00 O ATOM 0 H GLY A 81 91.634 10.185 8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.523 8.834 7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 81 90.616 10.083 5.988 1.00 0.00 H new ATOM 1320 N LEU A 82 93.487 8.723 6.447 1.00 0.00 N ATOM 1321 CA LEU A 82 94.566 7.957 5.834 1.00 0.00 C ATOM 1322 C LEU A 82 95.037 6.906 6.829 1.00 0.00 C ATOM 1323 O LEU A 82 95.187 7.190 8.016 1.00 0.00 O ATOM 1324 CB LEU A 82 95.734 8.874 5.449 1.00 0.00 C ATOM 1325 CG LEU A 82 95.240 10.020 4.554 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.441 10.781 3.991 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.416 9.461 3.389 1.00 0.00 C ATOM 0 H LEU A 82 93.763 9.264 7.266 1.00 0.00 H new ATOM 0 HA LEU A 82 94.200 7.479 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.198 9.280 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.499 8.300 4.927 1.00 0.00 H new ATOM 0 HG LEU A 82 94.619 10.689 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.091 11.595 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.030 11.190 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 82 97.059 10.102 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 82 94.071 10.282 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 82 95.034 8.786 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.556 8.917 3.780 1.00 0.00 H new ATOM 1339 N LEU A 83 95.249 5.691 6.348 1.00 0.00 N ATOM 1340 CA LEU A 83 95.679 4.603 7.216 1.00 0.00 C ATOM 1341 C LEU A 83 96.961 3.967 6.716 1.00 0.00 C ATOM 1342 O LEU A 83 97.104 3.698 5.523 1.00 0.00 O ATOM 1343 CB LEU A 83 94.606 3.514 7.217 1.00 0.00 C ATOM 1344 CG LEU A 83 93.229 4.117 7.489 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.171 3.018 7.355 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.190 4.694 8.908 1.00 0.00 C ATOM 0 H LEU A 83 95.132 5.433 5.368 1.00 0.00 H new ATOM 0 HA LEU A 83 95.842 5.017 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.601 3.000 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.839 2.767 7.976 1.00 0.00 H new ATOM 0 HG LEU A 83 93.028 4.914 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.184 3.438 7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.200 2.606 6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.375 2.226 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.207 5.123 9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.386 3.900 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.950 5.469 9.007 1.00 0.00 H new ATOM 1358 N GLY A 84 97.882 3.701 7.632 1.00 0.00 N ATOM 1359 CA GLY A 84 99.138 3.063 7.274 1.00 0.00 C ATOM 1360 C GLY A 84 99.310 1.791 8.087 1.00 0.00 C ATOM 1361 O GLY A 84 99.078 1.782 9.297 1.00 0.00 O ATOM 0 H GLY A 84 97.783 3.917 8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.150 2.831 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.970 3.742 7.461 1.00 0.00 H new ATOM 1365 N PHE A 85 99.711 0.721 7.420 1.00 0.00 N ATOM 1366 CA PHE A 85 99.908 -0.557 8.086 1.00 0.00 C ATOM 1367 C PHE A 85 101.333 -1.041 7.876 1.00 0.00 C ATOM 1368 O PHE A 85 101.998 -0.655 6.914 1.00 0.00 O ATOM 1369 CB PHE A 85 98.962 -1.618 7.515 1.00 0.00 C ATOM 1370 CG PHE A 85 97.515 -1.251 7.749 1.00 0.00 C ATOM 1371 CD1 PHE A 85 96.926 -0.204 7.033 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.750 -1.983 8.667 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.578 0.112 7.242 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.406 -1.666 8.875 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.820 -0.617 8.163 1.00 0.00 C ATOM 0 H PHE A 85 99.906 0.711 6.419 1.00 0.00 H new ATOM 0 HA PHE A 85 99.706 -0.412 9.147 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.142 -1.730 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.173 -2.582 7.977 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.510 0.360 6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.202 -2.796 9.216 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.123 0.921 6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.821 -2.231 9.585 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.781 -0.369 8.324 1.00 0.00 H new ATOM 1385 N GLU A 86 101.783 -1.913 8.764 1.00 0.00 N ATOM 1386 CA GLU A 86 103.115 -2.482 8.658 1.00 0.00 C ATOM 1387 C GLU A 86 103.000 -3.916 8.159 1.00 0.00 C ATOM 1388 O GLU A 86 102.203 -4.699 8.678 1.00 0.00 O ATOM 1389 CB GLU A 86 103.805 -2.468 10.023 1.00 0.00 C ATOM 1390 CG GLU A 86 105.266 -2.890 9.855 1.00 0.00 C ATOM 1391 CD GLU A 86 105.964 -2.902 11.211 1.00 0.00 C ATOM 1392 OE1 GLU A 86 106.137 -1.833 11.774 1.00 0.00 O ATOM 1393 OE2 GLU A 86 106.316 -3.977 11.665 1.00 0.00 O ATOM 0 H GLU A 86 101.245 -2.242 9.566 1.00 0.00 H new ATOM 0 HA GLU A 86 103.708 -1.890 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.750 -1.471 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.295 -3.145 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.317 -3.880 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.776 -2.203 9.180 1.00 0.00 H new ATOM 1400 N CYS A 87 103.780 -4.254 7.140 1.00 0.00 N ATOM 1401 CA CYS A 87 103.732 -5.595 6.572 1.00 0.00 C ATOM 1402 C CYS A 87 104.422 -6.608 7.481 1.00 0.00 C ATOM 1403 O CYS A 87 105.592 -6.449 7.829 1.00 0.00 O ATOM 1404 CB CYS A 87 104.404 -5.600 5.200 1.00 0.00 C ATOM 1405 SG CYS A 87 104.430 -7.287 4.546 1.00 0.00 S ATOM 0 H CYS A 87 104.447 -3.625 6.693 1.00 0.00 H new ATOM 0 HA CYS A 87 102.685 -5.882 6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 87 103.866 -4.942 4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.420 -5.214 5.280 1.00 0.00 H new ATOM 0 HG CYS A 87 105.000 -7.291 3.378 1.00 0.00 H new ATOM 1411 N GLN A 88 103.686 -7.653 7.856 1.00 0.00 N ATOM 1412 CA GLN A 88 104.231 -8.698 8.718 1.00 0.00 C ATOM 1413 C GLN A 88 104.628 -9.919 7.891 1.00 0.00 C ATOM 1414 O GLN A 88 105.575 -10.627 8.233 1.00 0.00 O ATOM 1415 CB GLN A 88 103.199 -9.104 9.778 1.00 0.00 C ATOM 1416 CG GLN A 88 101.806 -9.241 9.138 1.00 0.00 C ATOM 1417 CD GLN A 88 100.884 -8.130 9.634 1.00 0.00 C ATOM 1418 OE1 GLN A 88 101.369 -6.938 9.846 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 99.690 -8.355 9.831 1.00 0.00 N flip ATOM 0 H GLN A 88 102.715 -7.798 7.578 1.00 0.00 H new ATOM 0 HA GLN A 88 105.118 -8.305 9.215 1.00 0.00 H new ATOM 0 HB2 GLN A 88 103.491 -10.048 10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.170 -8.359 10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.891 -9.195 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.380 -10.214 9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 88 99.313 -9.288 9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 88 99.078 -7.609 10.161 1.00 0.00 H new ATOM 1428 N HIS A 89 103.910 -10.156 6.794 1.00 0.00 N ATOM 1429 CA HIS A 89 104.217 -11.288 5.926 1.00 0.00 C ATOM 1430 C HIS A 89 103.633 -11.056 4.537 1.00 0.00 C ATOM 1431 O HIS A 89 102.542 -10.517 4.395 1.00 0.00 O ATOM 1432 CB HIS A 89 103.649 -12.583 6.538 1.00 0.00 C ATOM 1433 CG HIS A 89 102.999 -13.428 5.471 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.610 -13.680 4.250 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.792 -14.081 5.427 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.776 -14.453 3.531 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.654 -14.727 4.201 1.00 0.00 N ATOM 0 H HIS A 89 103.121 -9.586 6.489 1.00 0.00 H new ATOM 0 HA HIS A 89 105.299 -11.386 5.835 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.448 -13.146 7.020 1.00 0.00 H new ATOM 0 HB3 HIS A 89 102.921 -12.338 7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 89 101.061 -14.092 6.222 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.988 -14.809 2.534 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.865 -15.289 3.883 1.00 0.00 H new ATOM 1445 N ILE A 90 104.382 -11.448 3.519 1.00 0.00 N ATOM 1446 CA ILE A 90 103.960 -11.268 2.135 1.00 0.00 C ATOM 1447 C ILE A 90 104.445 -12.435 1.282 1.00 0.00 C ATOM 1448 O ILE A 90 105.546 -12.953 1.469 1.00 0.00 O ATOM 1449 CB ILE A 90 104.511 -9.942 1.604 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.189 -9.804 0.110 1.00 0.00 C ATOM 1451 CG2 ILE A 90 106.029 -9.894 1.826 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.712 -8.460 -0.403 1.00 0.00 C ATOM 0 H ILE A 90 105.292 -11.896 3.624 1.00 0.00 H new ATOM 0 HA ILE A 90 102.871 -11.242 2.087 1.00 0.00 H new ATOM 0 HB ILE A 90 104.045 -9.115 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.646 -10.621 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.113 -9.872 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.422 -8.950 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.244 -9.976 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.501 -10.722 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.483 -8.362 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 90 104.234 -7.650 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.791 -8.410 -0.258 1.00 0.00 H new ATOM 1464 N ASP A 91 103.577 -12.862 0.364 1.00 0.00 N ATOM 1465 CA ASP A 91 103.871 -13.999 -0.507 1.00 0.00 C ATOM 1466 C ASP A 91 105.183 -13.819 -1.276 1.00 0.00 C ATOM 1467 O ASP A 91 105.514 -12.724 -1.731 1.00 0.00 O ATOM 1468 CB ASP A 91 102.709 -14.203 -1.491 1.00 0.00 C ATOM 1469 CG ASP A 91 102.030 -15.549 -1.242 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.246 -15.631 -0.312 1.00 0.00 O ATOM 1471 OD2 ASP A 91 102.308 -16.477 -1.985 1.00 0.00 O ATOM 0 H ASP A 91 102.664 -12.437 0.205 1.00 0.00 H new ATOM 0 HA ASP A 91 103.987 -14.880 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.984 -13.397 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 91 103.079 -14.159 -2.515 1.00 0.00 H new ATOM 1476 N LEU A 92 105.921 -14.923 -1.401 1.00 0.00 N ATOM 1477 CA LEU A 92 107.203 -14.905 -2.103 1.00 0.00 C ATOM 1478 C LEU A 92 107.029 -14.338 -3.511 1.00 0.00 C ATOM 1479 O LEU A 92 107.840 -13.533 -3.970 1.00 0.00 O ATOM 1480 CB LEU A 92 107.777 -16.324 -2.188 1.00 0.00 C ATOM 1481 CG LEU A 92 109.202 -16.280 -2.764 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.210 -16.093 -1.628 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.506 -17.593 -3.495 1.00 0.00 C ATOM 0 H LEU A 92 105.655 -15.834 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 92 107.893 -14.271 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.790 -16.780 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.140 -16.946 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 92 109.278 -15.447 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.219 -16.062 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 92 110.002 -15.159 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 92 110.128 -16.925 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.517 -17.557 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.425 -18.426 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.793 -17.731 -4.308 1.00 0.00 H new ATOM 1495 N ASP A 93 105.963 -14.750 -4.189 1.00 0.00 N ATOM 1496 CA ASP A 93 105.696 -14.264 -5.538 1.00 0.00 C ATOM 1497 C ASP A 93 105.243 -12.811 -5.478 1.00 0.00 C ATOM 1498 O ASP A 93 105.580 -12.006 -6.345 1.00 0.00 O ATOM 1499 CB ASP A 93 104.625 -15.131 -6.213 1.00 0.00 C ATOM 1500 CG ASP A 93 103.231 -14.572 -5.940 1.00 0.00 C ATOM 1501 OD1 ASP A 93 102.893 -14.417 -4.780 1.00 0.00 O ATOM 1502 OD2 ASP A 93 102.523 -14.304 -6.898 1.00 0.00 O ATOM 0 H ASP A 93 105.276 -15.413 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 93 106.610 -14.327 -6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.804 -15.168 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.691 -16.154 -5.843 1.00 0.00 H new ATOM 1507 N SER A 94 104.492 -12.484 -4.433 1.00 0.00 N ATOM 1508 CA SER A 94 104.011 -11.123 -4.248 1.00 0.00 C ATOM 1509 C SER A 94 105.197 -10.192 -4.026 1.00 0.00 C ATOM 1510 O SER A 94 105.224 -9.066 -4.523 1.00 0.00 O ATOM 1511 CB SER A 94 103.075 -11.068 -3.041 1.00 0.00 C ATOM 1512 OG SER A 94 103.129 -9.773 -2.463 1.00 0.00 O ATOM 0 H SER A 94 104.205 -13.139 -3.706 1.00 0.00 H new ATOM 0 HA SER A 94 103.465 -10.806 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 94 102.055 -11.300 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 94 103.366 -11.819 -2.306 1.00 0.00 H new ATOM 0 HG SER A 94 102.337 -9.631 -1.903 1.00 0.00 H new ATOM 1518 N ILE A 95 106.186 -10.688 -3.289 1.00 0.00 N ATOM 1519 CA ILE A 95 107.392 -9.921 -3.008 1.00 0.00 C ATOM 1520 C ILE A 95 108.088 -9.534 -4.305 1.00 0.00 C ATOM 1521 O ILE A 95 108.648 -8.444 -4.420 1.00 0.00 O ATOM 1522 CB ILE A 95 108.356 -10.741 -2.138 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.913 -10.667 -0.675 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.778 -10.179 -2.258 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.584 -11.785 0.132 1.00 0.00 C ATOM 0 H ILE A 95 106.175 -11.620 -2.875 1.00 0.00 H new ATOM 0 HA ILE A 95 107.104 -9.017 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 95 108.345 -11.777 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 95 108.176 -9.696 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.829 -10.760 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.455 -10.766 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.103 -10.229 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.789 -9.141 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.264 -11.726 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.299 -12.753 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.667 -11.672 0.079 1.00 0.00 H new ATOM 1537 N SER A 96 108.067 -10.440 -5.275 1.00 0.00 N ATOM 1538 CA SER A 96 108.727 -10.167 -6.543 1.00 0.00 C ATOM 1539 C SER A 96 107.972 -9.098 -7.321 1.00 0.00 C ATOM 1540 O SER A 96 108.587 -8.223 -7.927 1.00 0.00 O ATOM 1541 CB SER A 96 108.855 -11.439 -7.375 1.00 0.00 C ATOM 1542 OG SER A 96 110.175 -11.539 -7.890 1.00 0.00 O ATOM 0 H SER A 96 107.611 -11.350 -5.211 1.00 0.00 H new ATOM 0 HA SER A 96 109.730 -9.797 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.625 -12.311 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.135 -11.425 -8.193 1.00 0.00 H new ATOM 0 HG SER A 96 110.257 -12.357 -8.423 1.00 0.00 H new ATOM 1548 N HIS A 97 106.649 -9.152 -7.300 1.00 0.00 N ATOM 1549 CA HIS A 97 105.880 -8.145 -8.015 1.00 0.00 C ATOM 1550 C HIS A 97 106.157 -6.775 -7.400 1.00 0.00 C ATOM 1551 O HIS A 97 106.261 -5.775 -8.107 1.00 0.00 O ATOM 1552 CB HIS A 97 104.387 -8.458 -7.961 1.00 0.00 C ATOM 1553 CG HIS A 97 104.035 -9.501 -8.982 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.756 -9.175 -10.299 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.888 -10.860 -8.891 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.456 -10.316 -10.942 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.522 -11.375 -10.131 1.00 0.00 N ATOM 0 H HIS A 97 106.099 -9.859 -6.812 1.00 0.00 H new ATOM 0 HA HIS A 97 106.182 -8.145 -9.062 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.118 -8.809 -6.965 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.812 -7.551 -8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 97 104.034 -11.443 -7.994 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.193 -10.370 -11.988 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.343 -12.351 -10.369 1.00 0.00 H new