USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, 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 Set 1.1: A 87 SER OG : rot 180:sc= -0.194 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -0.068 X(o=-0.26,f=-0.43) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.504 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -141:sc= 0.469 (180deg=-0.0199) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= -0.216 (180deg=-0.368) USER MOD Single : A 25 THR OG1 : rot 85:sc= 1.09 USER MOD Single : A 29 GLN : amide:sc= -2.04 X(o=-2,f=-2.3) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0507 USER MOD Single : A 38 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.087) USER MOD Single : A 44 MET CE :methyl -134:sc= -1.92 (180deg=-6.93!) USER MOD Single : A 46 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.0089) USER MOD Single : A 49 ASN : amide:sc= -0.0151 K(o=-0.015,f=-0.52) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 81 SER OG : rot -120:sc= -0.476 USER MOD Single : A 82 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.075) USER MOD Single : A 83 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 17 -5.309 9.200 3.521 1.00 0.00 N ATOM 187 CA PHE A 17 -6.157 8.510 2.556 1.00 0.00 C ATOM 188 C PHE A 17 -6.702 7.210 3.142 1.00 0.00 C ATOM 189 O PHE A 17 -7.829 6.811 2.848 1.00 0.00 O ATOM 190 CB PHE A 17 -5.373 8.215 1.275 1.00 0.00 C ATOM 191 CG PHE A 17 -5.211 9.412 0.383 1.00 0.00 C ATOM 192 CD1 PHE A 17 -4.139 10.274 0.546 1.00 0.00 C ATOM 193 CD2 PHE A 17 -6.132 9.674 -0.619 1.00 0.00 C ATOM 194 CE1 PHE A 17 -3.988 11.376 -0.275 1.00 0.00 C ATOM 195 CE2 PHE A 17 -5.985 10.775 -1.443 1.00 0.00 C ATOM 196 CZ PHE A 17 -4.912 11.627 -1.270 1.00 0.00 C ATOM 0 HA PHE A 17 -6.998 9.162 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.387 7.834 1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.881 7.425 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.413 10.083 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.973 9.011 -0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.148 12.040 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.709 10.968 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.796 12.488 -1.912 1.00 0.00 H new ATOM 206 N ILE A 18 -5.896 6.557 3.971 1.00 0.00 N ATOM 207 CA ILE A 18 -6.296 5.303 4.598 1.00 0.00 C ATOM 208 C ILE A 18 -6.224 5.401 6.118 1.00 0.00 C ATOM 209 O ILE A 18 -5.265 5.940 6.671 1.00 0.00 O ATOM 210 CB ILE A 18 -5.412 4.132 4.128 1.00 0.00 C ATOM 211 CG1 ILE A 18 -5.295 4.131 2.604 1.00 0.00 C ATOM 212 CG2 ILE A 18 -5.979 2.809 4.623 1.00 0.00 C ATOM 213 CD1 ILE A 18 -4.190 3.237 2.083 1.00 0.00 C ATOM 0 H ILE A 18 -4.961 6.875 4.225 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.326 5.114 4.297 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.414 4.258 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.244 3.810 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.119 5.150 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.344 1.991 4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.014 2.813 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.986 2.674 4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.165 3.286 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.233 3.571 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.375 2.209 2.396 1.00 0.00 H new ATOM 225 N THR A 19 -7.244 4.874 6.788 1.00 0.00 N ATOM 226 CA THR A 19 -7.295 4.902 8.246 1.00 0.00 C ATOM 227 C THR A 19 -6.461 3.772 8.839 1.00 0.00 C ATOM 228 O THR A 19 -5.840 2.996 8.112 1.00 0.00 O ATOM 229 CB THR A 19 -8.742 4.789 8.729 1.00 0.00 C ATOM 230 OG1 THR A 19 -9.503 3.981 7.849 1.00 0.00 O ATOM 231 CG2 THR A 19 -9.440 6.127 8.842 1.00 0.00 C ATOM 0 H THR A 19 -8.045 4.423 6.346 1.00 0.00 H new ATOM 0 HA THR A 19 -6.880 5.853 8.582 1.00 0.00 H new ATOM 0 HB THR A 19 -8.682 4.343 9.722 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.425 3.920 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.462 5.976 9.189 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.905 6.758 9.552 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.456 6.612 7.866 1.00 0.00 H new ATOM 239 N LYS A 20 -6.450 3.685 10.166 1.00 0.00 N ATOM 240 CA LYS A 20 -5.691 2.650 10.858 1.00 0.00 C ATOM 241 C LYS A 20 -6.494 1.357 10.950 1.00 0.00 C ATOM 242 O LYS A 20 -5.930 0.263 10.957 1.00 0.00 O ATOM 243 CB LYS A 20 -5.303 3.125 12.259 1.00 0.00 C ATOM 244 CG LYS A 20 -4.154 2.339 12.871 1.00 0.00 C ATOM 245 CD LYS A 20 -3.147 3.256 13.547 1.00 0.00 C ATOM 246 CE LYS A 20 -1.731 2.717 13.422 1.00 0.00 C ATOM 247 NZ LYS A 20 -1.317 1.955 14.632 1.00 0.00 N ATOM 0 H LYS A 20 -6.958 4.319 10.783 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.785 2.453 10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.028 4.179 12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.172 3.051 12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.545 1.628 13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.655 1.759 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.200 4.249 13.100 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.404 3.366 14.601 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.665 2.071 12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.041 3.545 13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.346 1.605 14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.356 2.577 15.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.960 1.150 14.772 1.00 0.00 H new ATOM 261 N GLU A 21 -7.814 1.490 11.021 1.00 0.00 N ATOM 262 CA GLU A 21 -8.695 0.332 11.113 1.00 0.00 C ATOM 263 C GLU A 21 -8.711 -0.446 9.800 1.00 0.00 C ATOM 264 O GLU A 21 -8.874 -1.666 9.790 1.00 0.00 O ATOM 265 CB GLU A 21 -10.114 0.773 11.478 1.00 0.00 C ATOM 266 CG GLU A 21 -10.455 0.572 12.945 1.00 0.00 C ATOM 267 CD GLU A 21 -11.745 1.264 13.344 1.00 0.00 C ATOM 268 OE1 GLU A 21 -11.791 2.511 13.288 1.00 0.00 O ATOM 269 OE2 GLU A 21 -12.708 0.558 13.712 1.00 0.00 O ATOM 0 H GLU A 21 -8.297 2.388 11.017 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.313 -0.323 11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.234 1.827 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.826 0.217 10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.540 -0.495 13.152 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.638 0.951 13.559 1.00 0.00 H new ATOM 276 N LYS A 22 -8.540 0.270 8.692 1.00 0.00 N ATOM 277 CA LYS A 22 -8.536 -0.352 7.374 1.00 0.00 C ATOM 278 C LYS A 22 -7.333 -1.276 7.213 1.00 0.00 C ATOM 279 O LYS A 22 -7.447 -2.369 6.658 1.00 0.00 O ATOM 280 CB LYS A 22 -8.521 0.721 6.282 1.00 0.00 C ATOM 281 CG LYS A 22 -9.903 1.072 5.758 1.00 0.00 C ATOM 282 CD LYS A 22 -9.824 1.967 4.533 1.00 0.00 C ATOM 283 CE LYS A 22 -11.093 2.787 4.358 1.00 0.00 C ATOM 284 NZ LYS A 22 -11.147 3.933 5.307 1.00 0.00 N ATOM 0 H LYS A 22 -8.403 1.281 8.682 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.444 -0.947 7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.051 1.622 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.904 0.376 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.441 0.158 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.473 1.574 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.968 2.635 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.659 1.356 3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.147 3.160 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.963 2.148 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.121 4.051 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.514 3.748 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.845 4.801 4.821 1.00 0.00 H new ATOM 298 N LYS A 23 -6.180 -0.830 7.700 1.00 0.00 N ATOM 299 CA LYS A 23 -4.956 -1.616 7.609 1.00 0.00 C ATOM 300 C LYS A 23 -5.068 -2.898 8.428 1.00 0.00 C ATOM 301 O LYS A 23 -4.608 -3.959 8.006 1.00 0.00 O ATOM 302 CB LYS A 23 -3.760 -0.794 8.092 1.00 0.00 C ATOM 303 CG LYS A 23 -3.149 0.083 7.011 1.00 0.00 C ATOM 304 CD LYS A 23 -2.738 1.441 7.559 1.00 0.00 C ATOM 305 CE LYS A 23 -1.682 1.307 8.644 1.00 0.00 C ATOM 306 NZ LYS A 23 -1.918 2.252 9.770 1.00 0.00 N ATOM 0 H LYS A 23 -6.068 0.072 8.162 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.806 -1.886 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.075 -0.164 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.996 -1.470 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.279 -0.417 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.867 0.218 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.352 2.060 6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.613 1.952 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.679 0.285 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.697 1.491 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.016 2.681 10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.575 2.999 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.329 1.737 10.575 1.00 0.00 H new ATOM 320 N ASP A 24 -5.683 -2.792 9.601 1.00 0.00 N ATOM 321 CA ASP A 24 -5.855 -3.943 10.481 1.00 0.00 C ATOM 322 C ASP A 24 -6.830 -4.949 9.880 1.00 0.00 C ATOM 323 O ASP A 24 -6.623 -6.160 9.970 1.00 0.00 O ATOM 324 CB ASP A 24 -6.354 -3.490 11.855 1.00 0.00 C ATOM 325 CG ASP A 24 -5.716 -4.270 12.988 1.00 0.00 C ATOM 326 OD1 ASP A 24 -4.586 -3.919 13.387 1.00 0.00 O ATOM 327 OD2 ASP A 24 -6.347 -5.232 13.475 1.00 0.00 O ATOM 0 H ASP A 24 -6.071 -1.921 9.965 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.886 -4.429 10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.142 -2.429 11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.437 -3.607 11.902 1.00 0.00 H new ATOM 332 N THR A 25 -7.894 -4.442 9.266 1.00 0.00 N ATOM 333 CA THR A 25 -8.904 -5.297 8.650 1.00 0.00 C ATOM 334 C THR A 25 -8.283 -6.207 7.594 1.00 0.00 C ATOM 335 O THR A 25 -8.769 -7.311 7.349 1.00 0.00 O ATOM 336 CB THR A 25 -10.008 -4.445 8.022 1.00 0.00 C ATOM 337 OG1 THR A 25 -10.432 -3.433 8.917 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.229 -5.246 7.623 1.00 0.00 C ATOM 0 H THR A 25 -8.080 -3.443 9.181 1.00 0.00 H new ATOM 0 HA THR A 25 -9.336 -5.924 9.430 1.00 0.00 H new ATOM 0 HB THR A 25 -9.565 -4.016 7.123 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.845 -2.653 8.831 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.973 -4.581 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.944 -6.004 6.893 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.650 -5.731 8.504 1.00 0.00 H new ATOM 346 N VAL A 26 -7.207 -5.736 6.971 1.00 0.00 N ATOM 347 CA VAL A 26 -6.523 -6.507 5.941 1.00 0.00 C ATOM 348 C VAL A 26 -5.650 -7.596 6.555 1.00 0.00 C ATOM 349 O VAL A 26 -5.703 -8.754 6.142 1.00 0.00 O ATOM 350 CB VAL A 26 -5.647 -5.605 5.052 1.00 0.00 C ATOM 351 CG1 VAL A 26 -5.102 -6.390 3.867 1.00 0.00 C ATOM 352 CG2 VAL A 26 -6.433 -4.391 4.583 1.00 0.00 C ATOM 0 H VAL A 26 -6.791 -4.825 7.162 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.297 -6.969 5.328 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.802 -5.253 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.485 -5.736 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.499 -7.223 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.931 -6.774 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.797 -3.766 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.300 -4.718 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.767 -3.817 5.448 1.00 0.00 H new ATOM 362 N LEU A 27 -4.847 -7.216 7.544 1.00 0.00 N ATOM 363 CA LEU A 27 -3.961 -8.160 8.215 1.00 0.00 C ATOM 364 C LEU A 27 -4.757 -9.167 9.039 1.00 0.00 C ATOM 365 O LEU A 27 -4.346 -10.316 9.198 1.00 0.00 O ATOM 366 CB LEU A 27 -2.974 -7.413 9.116 1.00 0.00 C ATOM 367 CG LEU A 27 -2.249 -6.242 8.451 1.00 0.00 C ATOM 368 CD1 LEU A 27 -1.247 -5.621 9.411 1.00 0.00 C ATOM 369 CD2 LEU A 27 -1.557 -6.700 7.176 1.00 0.00 C ATOM 0 H LEU A 27 -4.792 -6.261 7.898 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.406 -8.704 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.512 -7.040 9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.230 -8.122 9.480 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.986 -5.484 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.741 -4.790 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.769 -5.257 10.296 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.512 -6.371 9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.046 -5.854 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.830 -7.477 7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.298 -7.098 6.483 1.00 0.00 H new ATOM 381 N ARG A 28 -5.900 -8.730 9.558 1.00 0.00 N ATOM 382 CA ARG A 28 -6.753 -9.595 10.365 1.00 0.00 C ATOM 383 C ARG A 28 -7.194 -10.819 9.570 1.00 0.00 C ATOM 384 O ARG A 28 -7.390 -11.898 10.129 1.00 0.00 O ATOM 385 CB ARG A 28 -7.979 -8.824 10.857 1.00 0.00 C ATOM 386 CG ARG A 28 -8.585 -9.394 12.129 1.00 0.00 C ATOM 387 CD ARG A 28 -10.103 -9.292 12.118 1.00 0.00 C ATOM 388 NE ARG A 28 -10.700 -9.908 13.299 1.00 0.00 N ATOM 389 CZ ARG A 28 -10.714 -9.343 14.504 1.00 0.00 C ATOM 390 NH1 ARG A 28 -10.163 -8.150 14.691 1.00 0.00 N ATOM 391 NH2 ARG A 28 -11.280 -9.972 15.525 1.00 0.00 N ATOM 0 H ARG A 28 -6.257 -7.782 9.434 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.175 -9.931 11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.699 -7.785 11.032 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.736 -8.822 10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.290 -10.438 12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.190 -8.860 12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.396 -8.243 12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.492 -9.774 11.221 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.132 -10.826 13.195 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.726 -7.662 13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.176 -7.721 15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.705 -10.889 15.387 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.291 -9.539 16.448 1.00 0.00 H new ATOM 405 N GLN A 29 -7.348 -10.645 8.261 1.00 0.00 N ATOM 406 CA GLN A 29 -7.766 -11.735 7.388 1.00 0.00 C ATOM 407 C GLN A 29 -6.594 -12.661 7.077 1.00 0.00 C ATOM 408 O GLN A 29 -6.775 -13.864 6.883 1.00 0.00 O ATOM 409 CB GLN A 29 -8.352 -11.181 6.089 1.00 0.00 C ATOM 410 CG GLN A 29 -9.648 -10.411 6.285 1.00 0.00 C ATOM 411 CD GLN A 29 -10.454 -10.292 5.006 1.00 0.00 C ATOM 412 OE1 GLN A 29 -11.379 -11.068 4.766 1.00 0.00 O ATOM 413 NE2 GLN A 29 -10.106 -9.316 4.177 1.00 0.00 N ATOM 0 H GLN A 29 -7.189 -9.759 7.782 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.533 -12.310 7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.618 -10.526 5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.530 -12.006 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.251 -10.908 7.045 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.421 -9.414 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.333 -8.695 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.612 -9.186 3.301 1.00 0.00 H new ATOM 422 N VAL A 30 -5.394 -12.094 7.029 1.00 0.00 N ATOM 423 CA VAL A 30 -4.194 -12.868 6.741 1.00 0.00 C ATOM 424 C VAL A 30 -3.657 -13.540 8.000 1.00 0.00 C ATOM 425 O VAL A 30 -3.099 -14.635 7.941 1.00 0.00 O ATOM 426 CB VAL A 30 -3.087 -11.986 6.133 1.00 0.00 C ATOM 427 CG1 VAL A 30 -1.922 -12.840 5.657 1.00 0.00 C ATOM 428 CG2 VAL A 30 -3.642 -11.144 4.994 1.00 0.00 C ATOM 0 H VAL A 30 -5.227 -11.100 7.186 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.478 -13.632 6.017 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.719 -11.312 6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.151 -12.198 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.508 -13.394 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.271 -13.541 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.846 -10.527 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.039 -11.798 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.439 -10.502 5.371 1.00 0.00 H new ATOM 438 N ARG A 31 -3.830 -12.877 9.139 1.00 0.00 N ATOM 439 CA ARG A 31 -3.363 -13.411 10.413 1.00 0.00 C ATOM 440 C ARG A 31 -4.022 -14.753 10.715 1.00 0.00 C ATOM 441 O ARG A 31 -3.344 -15.737 11.008 1.00 0.00 O ATOM 442 CB ARG A 31 -3.654 -12.422 11.544 1.00 0.00 C ATOM 443 CG ARG A 31 -2.673 -11.263 11.606 1.00 0.00 C ATOM 444 CD ARG A 31 -3.244 -10.088 12.384 1.00 0.00 C ATOM 445 NE ARG A 31 -2.257 -9.493 13.282 1.00 0.00 N ATOM 446 CZ ARG A 31 -2.569 -8.709 14.312 1.00 0.00 C ATOM 447 NH1 ARG A 31 -3.837 -8.421 14.575 1.00 0.00 N ATOM 448 NH2 ARG A 31 -1.609 -8.211 15.079 1.00 0.00 N ATOM 0 H ARG A 31 -4.290 -11.969 9.206 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.286 -13.563 10.341 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.662 -12.027 11.420 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.635 -12.954 12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.746 -11.595 12.074 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.422 -10.943 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.602 -9.331 11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.106 -10.421 12.962 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.271 -9.690 13.110 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.579 -8.801 13.987 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.070 -7.820 15.365 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.633 -8.429 14.880 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.847 -7.610 15.868 1.00 0.00 H new ATOM 462 N LEU A 32 -5.349 -14.785 10.640 1.00 0.00 N ATOM 463 CA LEU A 32 -6.101 -16.006 10.904 1.00 0.00 C ATOM 464 C LEU A 32 -5.721 -17.102 9.914 1.00 0.00 C ATOM 465 O LEU A 32 -5.404 -18.225 10.308 1.00 0.00 O ATOM 466 CB LEU A 32 -7.604 -15.731 10.829 1.00 0.00 C ATOM 467 CG LEU A 32 -8.093 -14.571 11.698 1.00 0.00 C ATOM 468 CD1 LEU A 32 -9.534 -14.221 11.359 1.00 0.00 C ATOM 469 CD2 LEU A 32 -7.961 -14.921 13.173 1.00 0.00 C ATOM 0 H LEU A 32 -5.925 -13.979 10.398 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.852 -16.347 11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.869 -15.525 9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.139 -16.635 11.121 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.471 -13.699 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.865 -13.394 11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.601 -13.930 10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.170 -15.088 11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.313 -14.086 13.778 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.559 -15.805 13.392 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.916 -15.123 13.407 1.00 0.00 H new ATOM 481 N ASP A 33 -5.754 -16.769 8.627 1.00 0.00 N ATOM 482 CA ASP A 33 -5.412 -17.726 7.581 1.00 0.00 C ATOM 483 C ASP A 33 -4.421 -17.116 6.590 1.00 0.00 C ATOM 484 O ASP A 33 -4.624 -16.003 6.106 1.00 0.00 O ATOM 485 CB ASP A 33 -6.673 -18.180 6.844 1.00 0.00 C ATOM 486 CG ASP A 33 -7.624 -18.946 7.742 1.00 0.00 C ATOM 487 OD1 ASP A 33 -7.240 -20.033 8.223 1.00 0.00 O ATOM 488 OD2 ASP A 33 -8.753 -18.459 7.965 1.00 0.00 O ATOM 0 H ASP A 33 -6.014 -15.844 8.284 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.944 -18.591 8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.185 -17.309 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.390 -18.808 5.999 1.00 0.00 H new ATOM 493 N PRO A 34 -3.331 -17.839 6.270 1.00 0.00 N ATOM 494 CA PRO A 34 -2.315 -17.356 5.331 1.00 0.00 C ATOM 495 C PRO A 34 -2.797 -17.396 3.885 1.00 0.00 C ATOM 496 O PRO A 34 -3.730 -18.126 3.551 1.00 0.00 O ATOM 497 CB PRO A 34 -1.155 -18.331 5.536 1.00 0.00 C ATOM 498 CG PRO A 34 -1.802 -19.593 5.990 1.00 0.00 C ATOM 499 CD PRO A 34 -3.003 -19.179 6.797 1.00 0.00 C ATOM 0 HA PRO A 34 -2.052 -16.314 5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.596 -18.482 4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.450 -17.958 6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.097 -20.208 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.115 -20.189 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.832 -19.875 6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.778 -19.146 7.863 1.00 0.00 H new ATOM 507 N CYS A 35 -2.152 -16.607 3.030 1.00 0.00 N ATOM 508 CA CYS A 35 -2.515 -16.553 1.618 1.00 0.00 C ATOM 509 C CYS A 35 -1.398 -15.922 0.793 1.00 0.00 C ATOM 510 O CYS A 35 -0.536 -15.224 1.328 1.00 0.00 O ATOM 511 CB CYS A 35 -3.811 -15.763 1.432 1.00 0.00 C ATOM 512 SG CYS A 35 -4.848 -16.356 0.076 1.00 0.00 S ATOM 0 H CYS A 35 -1.377 -15.997 3.290 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.668 -17.574 1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.384 -15.803 2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.564 -14.716 1.255 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.921 -15.627 -0.000 1.00 0.00 H new ATOM 518 N ASP A 36 -1.420 -16.172 -0.512 1.00 0.00 N ATOM 519 CA ASP A 36 -0.408 -15.629 -1.411 1.00 0.00 C ATOM 520 C ASP A 36 -0.619 -14.133 -1.624 1.00 0.00 C ATOM 521 O ASP A 36 -1.545 -13.719 -2.320 1.00 0.00 O ATOM 522 CB ASP A 36 -0.444 -16.360 -2.755 1.00 0.00 C ATOM 523 CG ASP A 36 0.941 -16.734 -3.247 1.00 0.00 C ATOM 524 OD1 ASP A 36 1.715 -17.312 -2.456 1.00 0.00 O ATOM 525 OD2 ASP A 36 1.250 -16.447 -4.423 1.00 0.00 O ATOM 0 H ASP A 36 -2.127 -16.747 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 36 0.570 -15.778 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.048 -17.262 -2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.932 -15.727 -3.497 1.00 0.00 H new ATOM 530 N LEU A 37 0.248 -13.327 -1.018 1.00 0.00 N ATOM 531 CA LEU A 37 0.157 -11.876 -1.141 1.00 0.00 C ATOM 532 C LEU A 37 1.156 -11.352 -2.166 1.00 0.00 C ATOM 533 O LEU A 37 1.727 -10.275 -1.998 1.00 0.00 O ATOM 534 CB LEU A 37 0.406 -11.213 0.215 1.00 0.00 C ATOM 535 CG LEU A 37 -0.378 -11.813 1.384 1.00 0.00 C ATOM 536 CD1 LEU A 37 0.178 -11.315 2.709 1.00 0.00 C ATOM 537 CD2 LEU A 37 -1.856 -11.475 1.262 1.00 0.00 C ATOM 0 H LEU A 37 1.021 -13.654 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.848 -11.628 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.470 -11.274 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.157 -10.155 0.136 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.270 -12.897 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.391 -11.752 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.224 -11.607 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.100 -10.229 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.399 -11.909 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.983 -10.392 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.246 -11.881 0.329 1.00 0.00 H new ATOM 549 N GLN A 38 1.363 -12.122 -3.230 1.00 0.00 N ATOM 550 CA GLN A 38 2.293 -11.735 -4.283 1.00 0.00 C ATOM 551 C GLN A 38 1.616 -10.821 -5.303 1.00 0.00 C ATOM 552 O GLN A 38 2.118 -9.739 -5.606 1.00 0.00 O ATOM 553 CB GLN A 38 2.853 -12.977 -4.981 1.00 0.00 C ATOM 554 CG GLN A 38 4.365 -12.960 -5.133 1.00 0.00 C ATOM 555 CD GLN A 38 5.085 -13.146 -3.813 1.00 0.00 C ATOM 556 OE1 GLN A 38 5.393 -14.269 -3.412 1.00 0.00 O ATOM 557 NE2 GLN A 38 5.357 -12.042 -3.126 1.00 0.00 N ATOM 0 H GLN A 38 0.899 -13.017 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 38 3.114 -11.186 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.563 -13.863 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.398 -13.065 -5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.666 -13.750 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.671 -12.014 -5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.084 -11.131 -3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.839 -12.105 -2.229 1.00 0.00 H new ATOM 566 N PRO A 39 0.460 -11.244 -5.845 1.00 0.00 N ATOM 567 CA PRO A 39 -0.282 -10.453 -6.834 1.00 0.00 C ATOM 568 C PRO A 39 -0.570 -9.038 -6.347 1.00 0.00 C ATOM 569 O PRO A 39 -0.725 -8.115 -7.147 1.00 0.00 O ATOM 570 CB PRO A 39 -1.589 -11.232 -7.007 1.00 0.00 C ATOM 571 CG PRO A 39 -1.254 -12.631 -6.618 1.00 0.00 C ATOM 572 CD PRO A 39 -0.213 -12.521 -5.541 1.00 0.00 C ATOM 0 HA PRO A 39 0.282 -10.328 -7.758 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.379 -10.824 -6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.946 -11.182 -8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.137 -13.158 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.875 -13.194 -7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.662 -12.512 -4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.484 -13.359 -5.568 1.00 0.00 H new ATOM 580 N ILE A 40 -0.640 -8.872 -5.030 1.00 0.00 N ATOM 581 CA ILE A 40 -0.911 -7.569 -4.437 1.00 0.00 C ATOM 582 C ILE A 40 0.374 -6.766 -4.257 1.00 0.00 C ATOM 583 O ILE A 40 0.359 -5.535 -4.304 1.00 0.00 O ATOM 584 CB ILE A 40 -1.610 -7.707 -3.070 1.00 0.00 C ATOM 585 CG1 ILE A 40 -2.791 -8.674 -3.170 1.00 0.00 C ATOM 586 CG2 ILE A 40 -2.073 -6.346 -2.571 1.00 0.00 C ATOM 587 CD1 ILE A 40 -3.254 -9.203 -1.831 1.00 0.00 C ATOM 0 H ILE A 40 -0.513 -9.625 -4.353 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.572 -7.042 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.895 -8.111 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.624 -8.169 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.510 -9.514 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.565 -6.461 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.212 -5.686 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.774 -5.916 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.094 -9.882 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.436 -9.737 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.567 -8.371 -1.200 1.00 0.00 H new ATOM 599 N PHE A 41 1.481 -7.469 -4.047 1.00 0.00 N ATOM 600 CA PHE A 41 2.773 -6.820 -3.857 1.00 0.00 C ATOM 601 C PHE A 41 3.431 -6.506 -5.197 1.00 0.00 C ATOM 602 O PHE A 41 3.968 -5.417 -5.395 1.00 0.00 O ATOM 603 CB PHE A 41 3.694 -7.709 -3.018 1.00 0.00 C ATOM 604 CG PHE A 41 3.727 -7.336 -1.564 1.00 0.00 C ATOM 605 CD1 PHE A 41 3.871 -6.013 -1.178 1.00 0.00 C ATOM 606 CD2 PHE A 41 3.614 -8.308 -0.582 1.00 0.00 C ATOM 607 CE1 PHE A 41 3.903 -5.666 0.160 1.00 0.00 C ATOM 608 CE2 PHE A 41 3.645 -7.967 0.757 1.00 0.00 C ATOM 609 CZ PHE A 41 3.789 -6.644 1.128 1.00 0.00 C ATOM 0 H PHE A 41 1.510 -8.488 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 41 2.605 -5.881 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.369 -8.745 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.705 -7.654 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.959 -5.244 -1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.500 -9.344 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.017 -4.631 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.557 -8.734 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.812 -6.375 2.174 1.00 0.00 H new ATOM 619 N ASP A 42 3.389 -7.467 -6.113 1.00 0.00 N ATOM 620 CA ASP A 42 3.985 -7.293 -7.433 1.00 0.00 C ATOM 621 C ASP A 42 3.237 -6.236 -8.247 1.00 0.00 C ATOM 622 O ASP A 42 3.735 -5.763 -9.269 1.00 0.00 O ATOM 623 CB ASP A 42 3.994 -8.624 -8.188 1.00 0.00 C ATOM 624 CG ASP A 42 5.399 -9.124 -8.463 1.00 0.00 C ATOM 625 OD1 ASP A 42 6.085 -9.526 -7.501 1.00 0.00 O ATOM 626 OD2 ASP A 42 5.813 -9.111 -9.641 1.00 0.00 O ATOM 0 H ASP A 42 2.948 -8.375 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 42 5.010 -6.950 -7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.453 -9.371 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.462 -8.507 -9.132 1.00 0.00 H new ATOM 631 N ASP A 43 2.039 -5.873 -7.796 1.00 0.00 N ATOM 632 CA ASP A 43 1.232 -4.877 -8.493 1.00 0.00 C ATOM 633 C ASP A 43 1.424 -3.487 -7.893 1.00 0.00 C ATOM 634 O ASP A 43 1.239 -2.478 -8.573 1.00 0.00 O ATOM 635 CB ASP A 43 -0.247 -5.265 -8.440 1.00 0.00 C ATOM 636 CG ASP A 43 -1.056 -4.608 -9.541 1.00 0.00 C ATOM 637 OD1 ASP A 43 -0.726 -4.819 -10.727 1.00 0.00 O ATOM 638 OD2 ASP A 43 -2.020 -3.882 -9.217 1.00 0.00 O ATOM 0 H ASP A 43 1.607 -6.253 -6.954 1.00 0.00 H new ATOM 0 HA ASP A 43 1.562 -4.848 -9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.339 -6.348 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.660 -4.982 -7.471 1.00 0.00 H new ATOM 643 N MET A 44 1.792 -3.437 -6.616 1.00 0.00 N ATOM 644 CA MET A 44 2.001 -2.165 -5.931 1.00 0.00 C ATOM 645 C MET A 44 3.489 -1.863 -5.764 1.00 0.00 C ATOM 646 O MET A 44 3.882 -0.705 -5.625 1.00 0.00 O ATOM 647 CB MET A 44 1.317 -2.182 -4.563 1.00 0.00 C ATOM 648 CG MET A 44 -0.184 -2.402 -4.636 1.00 0.00 C ATOM 649 SD MET A 44 -1.019 -1.168 -5.651 1.00 0.00 S ATOM 650 CE MET A 44 -1.296 0.130 -4.447 1.00 0.00 C ATOM 0 H MET A 44 1.951 -4.260 -6.036 1.00 0.00 H new ATOM 0 HA MET A 44 1.560 -1.379 -6.544 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.762 -2.969 -3.954 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.513 -1.237 -4.056 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.382 -3.394 -5.041 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.600 -2.380 -3.629 1.00 0.00 H new ATOM 0 HE1 MET A 44 -2.321 0.492 -4.531 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.131 -0.263 -3.444 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.605 0.952 -4.633 1.00 0.00 H new ATOM 660 N LEU A 45 4.311 -2.908 -5.777 1.00 0.00 N ATOM 661 CA LEU A 45 5.755 -2.750 -5.623 1.00 0.00 C ATOM 662 C LEU A 45 6.312 -1.755 -6.637 1.00 0.00 C ATOM 663 O LEU A 45 7.293 -1.063 -6.367 1.00 0.00 O ATOM 664 CB LEU A 45 6.454 -4.101 -5.779 1.00 0.00 C ATOM 665 CG LEU A 45 6.609 -4.902 -4.486 1.00 0.00 C ATOM 666 CD1 LEU A 45 7.079 -6.317 -4.787 1.00 0.00 C ATOM 667 CD2 LEU A 45 7.575 -4.206 -3.541 1.00 0.00 C ATOM 0 H LEU A 45 4.003 -3.873 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 45 5.946 -2.360 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.894 -4.702 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.443 -3.934 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 45 5.636 -4.961 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.184 -6.872 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.349 -6.815 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.042 -6.280 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.673 -4.790 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.550 -4.115 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.195 -3.213 -3.299 1.00 0.00 H new ATOM 679 N HIS A 46 5.682 -1.690 -7.805 1.00 0.00 N ATOM 680 CA HIS A 46 6.116 -0.779 -8.858 1.00 0.00 C ATOM 681 C HIS A 46 5.686 0.653 -8.556 1.00 0.00 C ATOM 682 O HIS A 46 6.316 1.609 -9.008 1.00 0.00 O ATOM 683 CB HIS A 46 5.550 -1.222 -10.210 1.00 0.00 C ATOM 684 CG HIS A 46 6.555 -1.181 -11.319 1.00 0.00 C ATOM 685 ND1 HIS A 46 6.554 -2.051 -12.387 1.00 0.00 N ATOM 686 CD2 HIS A 46 7.608 -0.347 -11.516 1.00 0.00 C ATOM 687 CE1 HIS A 46 7.584 -1.727 -13.180 1.00 0.00 C ATOM 688 NE2 HIS A 46 8.255 -0.699 -12.697 1.00 0.00 N ATOM 0 H HIS A 46 4.869 -2.257 -8.046 1.00 0.00 H new ATOM 0 HA HIS A 46 7.205 -0.807 -8.900 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.163 -2.237 -10.118 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.707 -0.582 -10.470 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.898 0.461 -10.861 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.833 -2.241 -14.097 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.078 -0.254 -13.105 1.00 0.00 H new ATOM 696 N PHE A 47 4.608 0.796 -7.789 1.00 0.00 N ATOM 697 CA PHE A 47 4.096 2.112 -7.428 1.00 0.00 C ATOM 698 C PHE A 47 5.048 2.826 -6.475 1.00 0.00 C ATOM 699 O PHE A 47 5.157 4.052 -6.494 1.00 0.00 O ATOM 700 CB PHE A 47 2.714 1.984 -6.785 1.00 0.00 C ATOM 701 CG PHE A 47 1.617 1.695 -7.770 1.00 0.00 C ATOM 702 CD1 PHE A 47 1.586 0.495 -8.460 1.00 0.00 C ATOM 703 CD2 PHE A 47 0.618 2.626 -8.006 1.00 0.00 C ATOM 704 CE1 PHE A 47 0.578 0.226 -9.367 1.00 0.00 C ATOM 705 CE2 PHE A 47 -0.393 2.363 -8.912 1.00 0.00 C ATOM 706 CZ PHE A 47 -0.413 1.161 -9.593 1.00 0.00 C ATOM 0 H PHE A 47 4.073 0.016 -7.406 1.00 0.00 H new ATOM 0 HA PHE A 47 4.013 2.704 -8.339 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.741 1.188 -6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.482 2.908 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.359 -0.240 -8.288 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.629 3.567 -7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.565 -0.714 -9.898 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.166 3.096 -9.087 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.202 0.953 -10.301 1.00 0.00 H new ATOM 716 N LEU A 48 5.734 2.051 -5.641 1.00 0.00 N ATOM 717 CA LEU A 48 6.676 2.609 -4.680 1.00 0.00 C ATOM 718 C LEU A 48 7.956 3.067 -5.371 1.00 0.00 C ATOM 719 O LEU A 48 8.259 2.640 -6.486 1.00 0.00 O ATOM 720 CB LEU A 48 7.006 1.577 -3.601 1.00 0.00 C ATOM 721 CG LEU A 48 5.794 0.955 -2.907 1.00 0.00 C ATOM 722 CD1 LEU A 48 6.222 -0.198 -2.013 1.00 0.00 C ATOM 723 CD2 LEU A 48 5.046 2.007 -2.103 1.00 0.00 C ATOM 0 H LEU A 48 5.654 1.035 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 48 6.208 3.476 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.596 0.779 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.634 2.051 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 48 5.123 0.563 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.345 -0.627 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.714 -0.962 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.914 0.167 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.186 1.548 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.710 2.428 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.705 2.800 -2.769 1.00 0.00 H new ATOM 735 N ASN A 49 8.704 3.939 -4.703 1.00 0.00 N ATOM 736 CA ASN A 49 9.952 4.456 -5.252 1.00 0.00 C ATOM 737 C ASN A 49 11.155 3.765 -4.615 1.00 0.00 C ATOM 738 O ASN A 49 11.036 3.146 -3.557 1.00 0.00 O ATOM 739 CB ASN A 49 10.042 5.967 -5.033 1.00 0.00 C ATOM 740 CG ASN A 49 9.172 6.745 -5.999 1.00 0.00 C ATOM 741 OD1 ASN A 49 9.138 6.454 -7.195 1.00 0.00 O ATOM 742 ND2 ASN A 49 8.464 7.744 -5.485 1.00 0.00 N ATOM 0 H ASN A 49 8.467 4.303 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 49 9.962 4.250 -6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.744 6.201 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 49 11.078 6.286 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.862 8.305 -6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.522 7.950 -4.488 1.00 0.00 H new ATOM 749 N PRO A 50 12.334 3.863 -5.253 1.00 0.00 N ATOM 750 CA PRO A 50 13.562 3.244 -4.743 1.00 0.00 C ATOM 751 C PRO A 50 13.834 3.611 -3.288 1.00 0.00 C ATOM 752 O PRO A 50 14.276 2.776 -2.499 1.00 0.00 O ATOM 753 CB PRO A 50 14.652 3.816 -5.651 1.00 0.00 C ATOM 754 CG PRO A 50 13.948 4.157 -6.919 1.00 0.00 C ATOM 755 CD PRO A 50 12.562 4.584 -6.520 1.00 0.00 C ATOM 0 HA PRO A 50 13.506 2.156 -4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.116 4.697 -5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.446 3.089 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.465 4.956 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.914 3.299 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.497 5.664 -6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.825 4.312 -7.275 1.00 0.00 H new ATOM 763 N GLU A 51 13.565 4.865 -2.939 1.00 0.00 N ATOM 764 CA GLU A 51 13.782 5.343 -1.579 1.00 0.00 C ATOM 765 C GLU A 51 12.733 4.773 -0.628 1.00 0.00 C ATOM 766 O GLU A 51 13.005 4.555 0.552 1.00 0.00 O ATOM 767 CB GLU A 51 13.744 6.872 -1.541 1.00 0.00 C ATOM 768 CG GLU A 51 14.776 7.484 -0.608 1.00 0.00 C ATOM 769 CD GLU A 51 15.273 8.831 -1.093 1.00 0.00 C ATOM 770 OE1 GLU A 51 14.431 9.676 -1.461 1.00 0.00 O ATOM 771 OE2 GLU A 51 16.505 9.041 -1.102 1.00 0.00 O ATOM 0 H GLU A 51 13.196 5.568 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 51 14.765 5.003 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.904 7.256 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.750 7.195 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.341 7.597 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.621 6.803 -0.510 1.00 0.00 H new ATOM 778 N GLU A 52 11.535 4.535 -1.151 1.00 0.00 N ATOM 779 CA GLU A 52 10.445 3.990 -0.349 1.00 0.00 C ATOM 780 C GLU A 52 10.597 2.482 -0.179 1.00 0.00 C ATOM 781 O GLU A 52 10.255 1.927 0.865 1.00 0.00 O ATOM 782 CB GLU A 52 9.098 4.308 -0.997 1.00 0.00 C ATOM 783 CG GLU A 52 8.839 5.796 -1.166 1.00 0.00 C ATOM 784 CD GLU A 52 7.524 6.084 -1.863 1.00 0.00 C ATOM 785 OE1 GLU A 52 7.247 5.441 -2.897 1.00 0.00 O ATOM 786 OE2 GLU A 52 6.771 6.953 -1.374 1.00 0.00 O ATOM 0 H GLU A 52 11.294 4.711 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 52 10.485 4.455 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.052 3.827 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.302 3.876 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.839 6.274 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.654 6.240 -1.738 1.00 0.00 H new ATOM 793 N LEU A 53 11.113 1.826 -1.212 1.00 0.00 N ATOM 794 CA LEU A 53 11.310 0.382 -1.180 1.00 0.00 C ATOM 795 C LEU A 53 12.272 -0.011 -0.064 1.00 0.00 C ATOM 796 O LEU A 53 12.150 -1.084 0.526 1.00 0.00 O ATOM 797 CB LEU A 53 11.845 -0.111 -2.526 1.00 0.00 C ATOM 798 CG LEU A 53 10.774 -0.439 -3.567 1.00 0.00 C ATOM 799 CD1 LEU A 53 11.409 -0.698 -4.925 1.00 0.00 C ATOM 800 CD2 LEU A 53 9.952 -1.640 -3.124 1.00 0.00 C ATOM 0 H LEU A 53 11.403 2.272 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 53 10.345 -0.087 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.508 0.650 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.449 -1.002 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 53 10.109 0.420 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.631 -0.930 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.954 0.189 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.098 -1.540 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.194 -1.860 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.606 -2.504 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.466 -1.418 -2.174 1.00 0.00 H new ATOM 812 N ARG A 54 13.229 0.866 0.222 1.00 0.00 N ATOM 813 CA ARG A 54 14.211 0.612 1.270 1.00 0.00 C ATOM 814 C ARG A 54 13.530 0.424 2.621 1.00 0.00 C ATOM 815 O ARG A 54 14.019 -0.314 3.477 1.00 0.00 O ATOM 816 CB ARG A 54 15.215 1.764 1.347 1.00 0.00 C ATOM 817 CG ARG A 54 16.334 1.530 2.348 1.00 0.00 C ATOM 818 CD ARG A 54 16.853 2.838 2.923 1.00 0.00 C ATOM 819 NE ARG A 54 16.845 2.835 4.384 1.00 0.00 N ATOM 820 CZ ARG A 54 15.757 3.051 5.120 1.00 0.00 C ATOM 821 NH1 ARG A 54 14.588 3.286 4.536 1.00 0.00 N ATOM 822 NH2 ARG A 54 15.837 3.032 6.443 1.00 0.00 N ATOM 0 H ARG A 54 13.345 1.759 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 54 14.741 -0.307 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.649 1.923 0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.686 2.679 1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.973 0.894 3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.151 0.995 1.863 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.868 3.013 2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.240 3.663 2.559 1.00 0.00 H new ATOM 0 HE ARG A 54 17.725 2.657 4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.520 3.302 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.758 3.451 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.732 2.852 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.003 3.198 7.007 1.00 0.00 H new ATOM 836 N VAL A 55 12.400 1.098 2.807 1.00 0.00 N ATOM 837 CA VAL A 55 11.651 1.005 4.054 1.00 0.00 C ATOM 838 C VAL A 55 10.967 -0.352 4.183 1.00 0.00 C ATOM 839 O VAL A 55 10.793 -0.869 5.287 1.00 0.00 O ATOM 840 CB VAL A 55 10.589 2.117 4.156 1.00 0.00 C ATOM 841 CG1 VAL A 55 9.930 2.105 5.527 1.00 0.00 C ATOM 842 CG2 VAL A 55 11.208 3.476 3.867 1.00 0.00 C ATOM 0 H VAL A 55 11.983 1.715 2.110 1.00 0.00 H new ATOM 0 HA VAL A 55 12.369 1.125 4.865 1.00 0.00 H new ATOM 0 HB VAL A 55 9.820 1.927 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.183 2.897 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.448 1.141 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.686 2.268 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.443 4.248 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.999 3.676 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.626 3.479 2.860 1.00 0.00 H new ATOM 852 N ILE A 56 10.580 -0.925 3.047 1.00 0.00 N ATOM 853 CA ILE A 56 9.914 -2.222 3.034 1.00 0.00 C ATOM 854 C ILE A 56 10.924 -3.357 2.896 1.00 0.00 C ATOM 855 O ILE A 56 10.701 -4.463 3.389 1.00 0.00 O ATOM 856 CB ILE A 56 8.893 -2.319 1.885 1.00 0.00 C ATOM 857 CG1 ILE A 56 8.005 -1.074 1.856 1.00 0.00 C ATOM 858 CG2 ILE A 56 8.048 -3.575 2.032 1.00 0.00 C ATOM 859 CD1 ILE A 56 6.974 -1.092 0.747 1.00 0.00 C ATOM 0 H ILE A 56 10.716 -0.511 2.125 1.00 0.00 H new ATOM 0 HA ILE A 56 9.390 -2.317 3.985 1.00 0.00 H new ATOM 0 HB ILE A 56 9.435 -2.378 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.494 -0.980 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.634 -0.191 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.331 -3.629 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.694 -4.453 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.513 -3.544 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.380 -0.179 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.478 -1.155 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.320 -1.955 0.872 1.00 0.00 H new ATOM 871 N GLU A 57 12.035 -3.076 2.223 1.00 0.00 N ATOM 872 CA GLU A 57 13.080 -4.073 2.021 1.00 0.00 C ATOM 873 C GLU A 57 13.608 -4.590 3.356 1.00 0.00 C ATOM 874 O GLU A 57 14.035 -5.739 3.464 1.00 0.00 O ATOM 875 CB GLU A 57 14.226 -3.480 1.197 1.00 0.00 C ATOM 876 CG GLU A 57 14.386 -4.118 -0.173 1.00 0.00 C ATOM 877 CD GLU A 57 15.455 -3.442 -1.009 1.00 0.00 C ATOM 878 OE1 GLU A 57 15.172 -2.363 -1.573 1.00 0.00 O ATOM 879 OE2 GLU A 57 16.573 -3.990 -1.100 1.00 0.00 O ATOM 0 H GLU A 57 12.235 -2.166 1.808 1.00 0.00 H new ATOM 0 HA GLU A 57 12.647 -4.912 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.057 -2.410 1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.157 -3.593 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.637 -5.172 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.434 -4.076 -0.703 1.00 0.00 H new ATOM 886 N GLU A 58 13.576 -3.732 4.371 1.00 0.00 N ATOM 887 CA GLU A 58 14.052 -4.100 5.698 1.00 0.00 C ATOM 888 C GLU A 58 13.221 -5.240 6.281 1.00 0.00 C ATOM 889 O GLU A 58 13.749 -6.120 6.960 1.00 0.00 O ATOM 890 CB GLU A 58 14.004 -2.891 6.634 1.00 0.00 C ATOM 891 CG GLU A 58 15.147 -1.911 6.418 1.00 0.00 C ATOM 892 CD GLU A 58 16.216 -2.019 7.487 1.00 0.00 C ATOM 893 OE1 GLU A 58 16.067 -1.371 8.544 1.00 0.00 O ATOM 894 OE2 GLU A 58 17.204 -2.752 7.268 1.00 0.00 O ATOM 0 H GLU A 58 13.225 -2.777 4.299 1.00 0.00 H new ATOM 0 HA GLU A 58 15.084 -4.438 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.057 -2.370 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.025 -3.240 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.596 -2.091 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.752 -0.895 6.405 1.00 0.00 H new ATOM 901 N ILE A 59 11.921 -5.216 6.011 1.00 0.00 N ATOM 902 CA ILE A 59 11.017 -6.247 6.510 1.00 0.00 C ATOM 903 C ILE A 59 11.114 -7.519 5.668 1.00 0.00 C ATOM 904 O ILE A 59 10.709 -7.533 4.506 1.00 0.00 O ATOM 905 CB ILE A 59 9.555 -5.759 6.511 1.00 0.00 C ATOM 906 CG1 ILE A 59 9.454 -4.385 7.176 1.00 0.00 C ATOM 907 CG2 ILE A 59 8.662 -6.765 7.219 1.00 0.00 C ATOM 908 CD1 ILE A 59 8.055 -3.808 7.161 1.00 0.00 C ATOM 0 H ILE A 59 11.469 -4.494 5.450 1.00 0.00 H new ATOM 0 HA ILE A 59 11.322 -6.466 7.533 1.00 0.00 H new ATOM 0 HB ILE A 59 9.217 -5.667 5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.795 -4.464 8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.129 -3.695 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.633 -6.406 7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.716 -7.724 6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.996 -6.887 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.058 -2.833 7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.718 -3.697 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.379 -4.478 7.693 1.00 0.00 H new ATOM 920 N PRO A 60 11.655 -8.610 6.243 1.00 0.00 N ATOM 921 CA PRO A 60 11.800 -9.883 5.530 1.00 0.00 C ATOM 922 C PRO A 60 10.475 -10.627 5.395 1.00 0.00 C ATOM 923 O PRO A 60 10.160 -11.164 4.333 1.00 0.00 O ATOM 924 CB PRO A 60 12.764 -10.669 6.417 1.00 0.00 C ATOM 925 CG PRO A 60 12.523 -10.145 7.790 1.00 0.00 C ATOM 926 CD PRO A 60 12.170 -8.691 7.625 1.00 0.00 C ATOM 0 HA PRO A 60 12.151 -9.743 4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.570 -11.740 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.799 -10.516 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.715 -10.689 8.279 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.409 -10.263 8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.420 -8.376 8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.040 -8.049 7.766 1.00 0.00 H new ATOM 934 N GLN A 61 9.704 -10.656 6.477 1.00 0.00 N ATOM 935 CA GLN A 61 8.414 -11.337 6.478 1.00 0.00 C ATOM 936 C GLN A 61 7.478 -10.736 5.435 1.00 0.00 C ATOM 937 O GLN A 61 7.824 -9.765 4.761 1.00 0.00 O ATOM 938 CB GLN A 61 7.774 -11.255 7.866 1.00 0.00 C ATOM 939 CG GLN A 61 8.106 -12.438 8.760 1.00 0.00 C ATOM 940 CD GLN A 61 7.114 -12.609 9.894 1.00 0.00 C ATOM 941 OE1 GLN A 61 7.211 -11.942 10.924 1.00 0.00 O ATOM 942 NE2 GLN A 61 6.152 -13.504 9.709 1.00 0.00 N ATOM 0 H GLN A 61 9.950 -10.216 7.364 1.00 0.00 H new ATOM 0 HA GLN A 61 8.583 -12.383 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.102 -10.338 8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.692 -11.187 7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.126 -13.348 8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.106 -12.307 9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.110 -14.035 8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.455 -13.661 10.437 1.00 0.00 H new ATOM 951 N ALA A 62 6.291 -11.320 5.307 1.00 0.00 N ATOM 952 CA ALA A 62 5.304 -10.843 4.346 1.00 0.00 C ATOM 953 C ALA A 62 4.171 -10.099 5.044 1.00 0.00 C ATOM 954 O ALA A 62 3.725 -9.050 4.579 1.00 0.00 O ATOM 955 CB ALA A 62 4.753 -12.007 3.534 1.00 0.00 C ATOM 0 H ALA A 62 5.990 -12.124 5.857 1.00 0.00 H new ATOM 0 HA ALA A 62 5.799 -10.145 3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.017 -11.637 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.567 -12.493 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.280 -12.726 4.203 1.00 0.00 H new ATOM 961 N GLU A 63 3.709 -10.648 6.164 1.00 0.00 N ATOM 962 CA GLU A 63 2.628 -10.035 6.926 1.00 0.00 C ATOM 963 C GLU A 63 3.019 -8.637 7.394 1.00 0.00 C ATOM 964 O GLU A 63 2.202 -7.716 7.378 1.00 0.00 O ATOM 965 CB GLU A 63 2.267 -10.907 8.130 1.00 0.00 C ATOM 966 CG GLU A 63 1.116 -10.355 8.956 1.00 0.00 C ATOM 967 CD GLU A 63 1.152 -10.832 10.394 1.00 0.00 C ATOM 968 OE1 GLU A 63 0.560 -11.894 10.683 1.00 0.00 O ATOM 969 OE2 GLU A 63 1.770 -10.144 11.233 1.00 0.00 O ATOM 0 H GLU A 63 4.067 -11.516 6.563 1.00 0.00 H new ATOM 0 HA GLU A 63 1.758 -9.951 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.006 -11.906 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.144 -11.012 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.149 -9.266 8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.171 -10.653 8.501 1.00 0.00 H new ATOM 976 N ASP A 64 4.271 -8.486 7.811 1.00 0.00 N ATOM 977 CA ASP A 64 4.771 -7.200 8.282 1.00 0.00 C ATOM 978 C ASP A 64 5.102 -6.282 7.110 1.00 0.00 C ATOM 979 O ASP A 64 4.994 -5.061 7.216 1.00 0.00 O ATOM 980 CB ASP A 64 6.011 -7.400 9.155 1.00 0.00 C ATOM 981 CG ASP A 64 5.764 -8.364 10.299 1.00 0.00 C ATOM 982 OD1 ASP A 64 4.622 -8.408 10.801 1.00 0.00 O ATOM 983 OD2 ASP A 64 6.714 -9.075 10.693 1.00 0.00 O ATOM 0 H ASP A 64 4.959 -9.239 7.832 1.00 0.00 H new ATOM 0 HA ASP A 64 3.988 -6.730 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.829 -7.774 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.328 -6.438 9.557 1.00 0.00 H new ATOM 988 N LYS A 65 5.504 -6.880 5.993 1.00 0.00 N ATOM 989 CA LYS A 65 5.851 -6.117 4.800 1.00 0.00 C ATOM 990 C LYS A 65 4.658 -5.302 4.309 1.00 0.00 C ATOM 991 O LYS A 65 4.816 -4.182 3.824 1.00 0.00 O ATOM 992 CB LYS A 65 6.335 -7.056 3.693 1.00 0.00 C ATOM 993 CG LYS A 65 7.579 -6.559 2.976 1.00 0.00 C ATOM 994 CD LYS A 65 8.431 -7.714 2.475 1.00 0.00 C ATOM 995 CE LYS A 65 9.500 -7.238 1.504 1.00 0.00 C ATOM 996 NZ LYS A 65 9.094 -7.447 0.086 1.00 0.00 N ATOM 0 H LYS A 65 5.597 -7.890 5.889 1.00 0.00 H new ATOM 0 HA LYS A 65 6.655 -5.428 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.541 -8.036 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.535 -7.189 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.289 -5.928 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.167 -5.938 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.903 -8.213 3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.795 -8.451 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.699 -6.180 1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.430 -7.772 1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.849 -7.110 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.929 -8.460 -0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.220 -6.917 -0.107 1.00 0.00 H new ATOM 1010 N LEU A 66 3.465 -5.873 4.438 1.00 0.00 N ATOM 1011 CA LEU A 66 2.245 -5.200 4.006 1.00 0.00 C ATOM 1012 C LEU A 66 1.934 -4.007 4.904 1.00 0.00 C ATOM 1013 O LEU A 66 1.357 -3.015 4.458 1.00 0.00 O ATOM 1014 CB LEU A 66 1.069 -6.178 4.012 1.00 0.00 C ATOM 1015 CG LEU A 66 0.020 -5.937 2.926 1.00 0.00 C ATOM 1016 CD1 LEU A 66 0.624 -6.147 1.546 1.00 0.00 C ATOM 1017 CD2 LEU A 66 -1.178 -6.852 3.130 1.00 0.00 C ATOM 0 H LEU A 66 3.317 -6.800 4.838 1.00 0.00 H new ATOM 0 HA LEU A 66 2.401 -4.836 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.458 -7.190 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.580 -6.129 4.985 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.320 -4.904 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.137 -5.971 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.450 -5.451 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.992 -7.170 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.915 -6.667 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.854 -7.892 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.625 -6.654 4.104 1.00 0.00 H new ATOM 1029 N ASP A 67 2.320 -4.110 6.172 1.00 0.00 N ATOM 1030 CA ASP A 67 2.081 -3.039 7.132 1.00 0.00 C ATOM 1031 C ASP A 67 2.759 -1.747 6.688 1.00 0.00 C ATOM 1032 O ASP A 67 2.285 -0.651 6.990 1.00 0.00 O ATOM 1033 CB ASP A 67 2.590 -3.446 8.517 1.00 0.00 C ATOM 1034 CG ASP A 67 1.696 -2.939 9.633 1.00 0.00 C ATOM 1035 OD1 ASP A 67 1.366 -1.735 9.629 1.00 0.00 O ATOM 1036 OD2 ASP A 67 1.326 -3.748 10.510 1.00 0.00 O ATOM 0 H ASP A 67 2.799 -4.924 6.558 1.00 0.00 H new ATOM 0 HA ASP A 67 1.006 -2.864 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.655 -4.533 8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.599 -3.059 8.659 1.00 0.00 H new ATOM 1041 N ARG A 68 3.869 -1.882 5.971 1.00 0.00 N ATOM 1042 CA ARG A 68 4.612 -0.724 5.486 1.00 0.00 C ATOM 1043 C ARG A 68 4.048 -0.234 4.156 1.00 0.00 C ATOM 1044 O ARG A 68 4.099 0.957 3.851 1.00 0.00 O ATOM 1045 CB ARG A 68 6.094 -1.072 5.328 1.00 0.00 C ATOM 1046 CG ARG A 68 7.024 0.104 5.570 1.00 0.00 C ATOM 1047 CD ARG A 68 7.464 0.178 7.024 1.00 0.00 C ATOM 1048 NE ARG A 68 6.730 1.199 7.767 1.00 0.00 N ATOM 1049 CZ ARG A 68 7.123 1.688 8.941 1.00 0.00 C ATOM 1050 NH1 ARG A 68 8.241 1.253 9.509 1.00 0.00 N ATOM 1051 NH2 ARG A 68 6.397 2.617 9.549 1.00 0.00 N ATOM 0 H ARG A 68 4.274 -2.782 5.713 1.00 0.00 H new ATOM 0 HA ARG A 68 4.510 0.075 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.347 -1.873 6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.263 -1.457 4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.900 0.014 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.520 1.030 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.315 -0.792 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.531 0.394 7.069 1.00 0.00 H new ATOM 0 HE ARG A 68 5.865 1.558 7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.804 0.540 9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.537 1.632 10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.538 2.957 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.698 2.992 10.449 1.00 0.00 H new ATOM 1065 N LEU A 69 3.511 -1.161 3.370 1.00 0.00 N ATOM 1066 CA LEU A 69 2.937 -0.823 2.071 1.00 0.00 C ATOM 1067 C LEU A 69 1.795 0.175 2.223 1.00 0.00 C ATOM 1068 O LEU A 69 1.563 1.008 1.346 1.00 0.00 O ATOM 1069 CB LEU A 69 2.435 -2.086 1.369 1.00 0.00 C ATOM 1070 CG LEU A 69 2.190 -1.939 -0.133 1.00 0.00 C ATOM 1071 CD1 LEU A 69 3.484 -1.594 -0.853 1.00 0.00 C ATOM 1072 CD2 LEU A 69 1.584 -3.212 -0.702 1.00 0.00 C ATOM 0 H LEU A 69 3.461 -2.151 3.609 1.00 0.00 H new ATOM 0 HA LEU A 69 3.718 -0.364 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.161 -2.884 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.506 -2.402 1.844 1.00 0.00 H new ATOM 0 HG LEU A 69 1.483 -1.124 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.290 -1.493 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.877 -0.654 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.214 -2.387 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.417 -3.089 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.266 -4.046 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.634 -3.416 -0.207 1.00 0.00 H new ATOM 1084 N PHE A 70 1.083 0.087 3.341 1.00 0.00 N ATOM 1085 CA PHE A 70 -0.037 0.982 3.608 1.00 0.00 C ATOM 1086 C PHE A 70 0.450 2.314 4.170 1.00 0.00 C ATOM 1087 O PHE A 70 -0.185 3.350 3.976 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.016 0.330 4.586 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.962 -0.638 3.935 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.500 -1.842 3.428 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -3.312 -0.345 3.831 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -2.367 -2.735 2.829 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -4.184 -1.234 3.233 1.00 0.00 C ATOM 1094 CZ PHE A 70 -3.711 -2.431 2.731 1.00 0.00 C ATOM 0 H PHE A 70 1.262 -0.596 4.078 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.549 1.173 2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.451 -0.191 5.359 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.593 1.110 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.450 -2.085 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.687 0.589 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.994 -3.670 2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.234 -0.994 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.391 -3.128 2.263 1.00 0.00 H new ATOM 1104 N GLU A 71 1.579 2.279 4.871 1.00 0.00 N ATOM 1105 CA GLU A 71 2.149 3.483 5.464 1.00 0.00 C ATOM 1106 C GLU A 71 2.529 4.496 4.387 1.00 0.00 C ATOM 1107 O GLU A 71 2.128 5.659 4.446 1.00 0.00 O ATOM 1108 CB GLU A 71 3.377 3.131 6.306 1.00 0.00 C ATOM 1109 CG GLU A 71 3.438 3.875 7.630 1.00 0.00 C ATOM 1110 CD GLU A 71 4.455 5.000 7.619 1.00 0.00 C ATOM 1111 OE1 GLU A 71 4.419 5.824 6.681 1.00 0.00 O ATOM 1112 OE2 GLU A 71 5.288 5.056 8.548 1.00 0.00 O ATOM 0 H GLU A 71 2.117 1.430 5.042 1.00 0.00 H new ATOM 0 HA GLU A 71 1.392 3.932 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.379 2.059 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.277 3.352 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.453 4.282 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.686 3.173 8.426 1.00 0.00 H new ATOM 1119 N ILE A 72 3.306 4.048 3.406 1.00 0.00 N ATOM 1120 CA ILE A 72 3.740 4.917 2.319 1.00 0.00 C ATOM 1121 C ILE A 72 2.570 5.297 1.417 1.00 0.00 C ATOM 1122 O ILE A 72 2.232 6.473 1.284 1.00 0.00 O ATOM 1123 CB ILE A 72 4.838 4.249 1.467 1.00 0.00 C ATOM 1124 CG1 ILE A 72 5.973 3.744 2.360 1.00 0.00 C ATOM 1125 CG2 ILE A 72 5.371 5.226 0.428 1.00 0.00 C ATOM 1126 CD1 ILE A 72 6.817 2.668 1.713 1.00 0.00 C ATOM 0 H ILE A 72 3.648 3.089 3.342 1.00 0.00 H new ATOM 0 HA ILE A 72 4.147 5.818 2.779 1.00 0.00 H new ATOM 0 HB ILE A 72 4.403 3.396 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.613 4.584 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.550 3.355 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.145 4.740 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.558 5.542 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.792 6.097 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.602 2.357 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.189 1.811 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.269 3.059 0.801 1.00 0.00 H new ATOM 1138 N ILE A 73 1.956 4.293 0.798 1.00 0.00 N ATOM 1139 CA ILE A 73 0.824 4.525 -0.093 1.00 0.00 C ATOM 1140 C ILE A 73 -0.331 5.193 0.647 1.00 0.00 C ATOM 1141 O ILE A 73 -1.138 5.901 0.046 1.00 0.00 O ATOM 1142 CB ILE A 73 0.325 3.209 -0.724 1.00 0.00 C ATOM 1143 CG1 ILE A 73 1.483 2.470 -1.400 1.00 0.00 C ATOM 1144 CG2 ILE A 73 -0.789 3.487 -1.723 1.00 0.00 C ATOM 1145 CD1 ILE A 73 1.073 1.163 -2.043 1.00 0.00 C ATOM 0 H ILE A 73 2.222 3.313 0.897 1.00 0.00 H new ATOM 0 HA ILE A 73 1.175 5.187 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.074 2.574 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.922 3.117 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.259 2.274 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.130 2.548 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.621 3.974 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.415 4.139 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.944 0.695 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.661 0.498 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.319 1.354 -2.806 1.00 0.00 H new ATOM 1157 N GLY A 74 -0.404 4.965 1.956 1.00 0.00 N ATOM 1158 CA GLY A 74 -1.465 5.552 2.754 1.00 0.00 C ATOM 1159 C GLY A 74 -1.498 7.066 2.657 1.00 0.00 C ATOM 1160 O GLY A 74 -2.552 7.681 2.814 1.00 0.00 O ATOM 0 H GLY A 74 0.253 4.384 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.424 5.150 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.334 5.261 3.796 1.00 0.00 H new ATOM 1164 N VAL A 75 -0.341 7.667 2.399 1.00 0.00 N ATOM 1165 CA VAL A 75 -0.243 9.117 2.283 1.00 0.00 C ATOM 1166 C VAL A 75 0.295 9.526 0.915 1.00 0.00 C ATOM 1167 O VAL A 75 0.983 10.537 0.784 1.00 0.00 O ATOM 1168 CB VAL A 75 0.665 9.709 3.377 1.00 0.00 C ATOM 1169 CG1 VAL A 75 0.560 11.227 3.397 1.00 0.00 C ATOM 1170 CG2 VAL A 75 0.314 9.126 4.738 1.00 0.00 C ATOM 0 H VAL A 75 0.541 7.172 2.266 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.252 9.511 2.406 1.00 0.00 H new ATOM 0 HB VAL A 75 1.697 9.442 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.209 11.626 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.867 11.626 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.471 11.518 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.966 9.557 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.724 9.359 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.448 8.044 4.716 1.00 0.00 H new ATOM 1180 N LYS A 76 -0.024 8.732 -0.101 1.00 0.00 N ATOM 1181 CA LYS A 76 0.426 9.012 -1.460 1.00 0.00 C ATOM 1182 C LYS A 76 -0.645 9.766 -2.242 1.00 0.00 C ATOM 1183 O LYS A 76 -0.520 10.967 -2.484 1.00 0.00 O ATOM 1184 CB LYS A 76 0.783 7.709 -2.180 1.00 0.00 C ATOM 1185 CG LYS A 76 2.280 7.505 -2.363 1.00 0.00 C ATOM 1186 CD LYS A 76 2.671 7.512 -3.833 1.00 0.00 C ATOM 1187 CE LYS A 76 4.179 7.446 -4.009 1.00 0.00 C ATOM 1188 NZ LYS A 76 4.639 8.252 -5.174 1.00 0.00 N ATOM 0 H LYS A 76 -0.592 7.890 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 76 1.315 9.640 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.376 6.869 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.301 7.700 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.822 8.292 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.577 6.558 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.207 6.664 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.287 8.415 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.666 7.807 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.484 6.408 -4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.673 8.180 -5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.194 7.892 -6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.371 9.247 -5.035 1.00 0.00 H new ATOM 1202 N SER A 77 -1.696 9.054 -2.634 1.00 0.00 N ATOM 1203 CA SER A 77 -2.790 9.656 -3.387 1.00 0.00 C ATOM 1204 C SER A 77 -3.925 8.659 -3.589 1.00 0.00 C ATOM 1205 O SER A 77 -3.745 7.454 -3.413 1.00 0.00 O ATOM 1206 CB SER A 77 -2.287 10.157 -4.744 1.00 0.00 C ATOM 1207 OG SER A 77 -2.885 11.396 -5.083 1.00 0.00 O ATOM 0 H SER A 77 -1.813 8.059 -2.443 1.00 0.00 H new ATOM 0 HA SER A 77 -3.171 10.501 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.203 10.268 -4.715 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.511 9.419 -5.514 1.00 0.00 H new ATOM 0 HG SER A 77 -2.546 11.696 -5.952 1.00 0.00 H new ATOM 1213 N GLN A 78 -5.095 9.169 -3.958 1.00 0.00 N ATOM 1214 CA GLN A 78 -6.261 8.323 -4.184 1.00 0.00 C ATOM 1215 C GLN A 78 -5.994 7.305 -5.288 1.00 0.00 C ATOM 1216 O GLN A 78 -6.575 6.220 -5.301 1.00 0.00 O ATOM 1217 CB GLN A 78 -7.476 9.180 -4.546 1.00 0.00 C ATOM 1218 CG GLN A 78 -8.775 8.688 -3.929 1.00 0.00 C ATOM 1219 CD GLN A 78 -9.849 9.758 -3.903 1.00 0.00 C ATOM 1220 OE1 GLN A 78 -9.692 10.825 -4.496 1.00 0.00 O ATOM 1221 NE2 GLN A 78 -10.948 9.477 -3.212 1.00 0.00 N ATOM 0 H GLN A 78 -5.261 10.164 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.468 7.781 -3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.296 10.205 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.584 9.202 -5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.138 7.828 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.583 8.346 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -11.035 8.579 -2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.705 10.159 -3.158 1.00 0.00 H new ATOM 1230 N GLU A 79 -5.112 7.662 -6.216 1.00 0.00 N ATOM 1231 CA GLU A 79 -4.769 6.780 -7.326 1.00 0.00 C ATOM 1232 C GLU A 79 -4.033 5.539 -6.832 1.00 0.00 C ATOM 1233 O GLU A 79 -4.131 4.468 -7.431 1.00 0.00 O ATOM 1234 CB GLU A 79 -3.907 7.525 -8.347 1.00 0.00 C ATOM 1235 CG GLU A 79 -4.715 8.277 -9.392 1.00 0.00 C ATOM 1236 CD GLU A 79 -5.054 7.419 -10.595 1.00 0.00 C ATOM 1237 OE1 GLU A 79 -4.132 7.104 -11.377 1.00 0.00 O ATOM 1238 OE2 GLU A 79 -6.240 7.064 -10.757 1.00 0.00 O ATOM 0 H GLU A 79 -4.622 8.556 -6.221 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.696 6.462 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.263 8.230 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.254 6.811 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.637 8.642 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.153 9.151 -9.721 1.00 0.00 H new ATOM 1245 N ALA A 80 -3.292 5.689 -5.738 1.00 0.00 N ATOM 1246 CA ALA A 80 -2.539 4.579 -5.169 1.00 0.00 C ATOM 1247 C ALA A 80 -3.245 4.002 -3.947 1.00 0.00 C ATOM 1248 O ALA A 80 -3.177 2.800 -3.689 1.00 0.00 O ATOM 1249 CB ALA A 80 -1.132 5.031 -4.802 1.00 0.00 C ATOM 0 H ALA A 80 -3.198 6.568 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.475 3.793 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.580 4.193 -4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.620 5.388 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.188 5.836 -4.070 1.00 0.00 H new ATOM 1255 N SER A 81 -3.923 4.865 -3.197 1.00 0.00 N ATOM 1256 CA SER A 81 -4.641 4.439 -2.002 1.00 0.00 C ATOM 1257 C SER A 81 -5.859 3.597 -2.369 1.00 0.00 C ATOM 1258 O SER A 81 -6.143 2.586 -1.726 1.00 0.00 O ATOM 1259 CB SER A 81 -5.078 5.656 -1.184 1.00 0.00 C ATOM 1260 OG SER A 81 -6.069 5.304 -0.233 1.00 0.00 O ATOM 0 H SER A 81 -3.990 5.863 -3.396 1.00 0.00 H new ATOM 0 HA SER A 81 -3.966 3.828 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.215 6.083 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.467 6.425 -1.851 1.00 0.00 H new ATOM 0 HG SER A 81 -6.885 5.818 -0.405 1.00 0.00 H new ATOM 1266 N GLN A 82 -6.575 4.020 -3.406 1.00 0.00 N ATOM 1267 CA GLN A 82 -7.763 3.305 -3.858 1.00 0.00 C ATOM 1268 C GLN A 82 -7.388 1.965 -4.482 1.00 0.00 C ATOM 1269 O GLN A 82 -8.158 1.005 -4.423 1.00 0.00 O ATOM 1270 CB GLN A 82 -8.540 4.152 -4.866 1.00 0.00 C ATOM 1271 CG GLN A 82 -9.902 3.580 -5.219 1.00 0.00 C ATOM 1272 CD GLN A 82 -10.872 3.623 -4.054 1.00 0.00 C ATOM 1273 OE1 GLN A 82 -11.632 4.580 -3.899 1.00 0.00 O ATOM 1274 NE2 GLN A 82 -10.850 2.585 -3.227 1.00 0.00 N ATOM 0 H GLN A 82 -6.353 4.854 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.395 3.116 -2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.671 5.155 -4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.949 4.251 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.321 4.138 -6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.784 2.548 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.204 1.814 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.479 2.559 -2.425 1.00 0.00 H new ATOM 1283 N THR A 83 -6.205 1.905 -5.082 1.00 0.00 N ATOM 1284 CA THR A 83 -5.732 0.682 -5.719 1.00 0.00 C ATOM 1285 C THR A 83 -5.189 -0.300 -4.685 1.00 0.00 C ATOM 1286 O THR A 83 -5.264 -1.515 -4.870 1.00 0.00 O ATOM 1287 CB THR A 83 -4.648 1.003 -6.750 1.00 0.00 C ATOM 1288 OG1 THR A 83 -5.005 2.138 -7.517 1.00 0.00 O ATOM 1289 CG2 THR A 83 -4.381 -0.135 -7.711 1.00 0.00 C ATOM 0 H THR A 83 -5.556 2.689 -5.141 1.00 0.00 H new ATOM 0 HA THR A 83 -6.579 0.218 -6.224 1.00 0.00 H new ATOM 0 HB THR A 83 -3.744 1.188 -6.170 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.786 2.952 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.602 0.158 -8.415 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.054 -1.013 -7.154 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.294 -0.371 -8.258 1.00 0.00 H new ATOM 1297 N LEU A 84 -4.643 0.234 -3.597 1.00 0.00 N ATOM 1298 CA LEU A 84 -4.087 -0.597 -2.536 1.00 0.00 C ATOM 1299 C LEU A 84 -5.186 -1.366 -1.809 1.00 0.00 C ATOM 1300 O LEU A 84 -5.038 -2.552 -1.518 1.00 0.00 O ATOM 1301 CB LEU A 84 -3.307 0.263 -1.540 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.656 -0.509 -0.391 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -1.545 -1.407 -0.914 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -2.117 0.453 0.657 1.00 0.00 C ATOM 0 H LEU A 84 -4.574 1.237 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.409 -1.317 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.530 0.804 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.982 1.009 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.414 -1.138 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.093 -1.948 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.958 -2.119 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.786 -0.798 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.657 -0.112 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.372 1.106 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.935 1.055 1.053 1.00 0.00 H new ATOM 1316 N LEU A 85 -6.286 -0.681 -1.517 1.00 0.00 N ATOM 1317 CA LEU A 85 -7.409 -1.300 -0.822 1.00 0.00 C ATOM 1318 C LEU A 85 -8.195 -2.213 -1.756 1.00 0.00 C ATOM 1319 O LEU A 85 -8.783 -3.204 -1.323 1.00 0.00 O ATOM 1320 CB LEU A 85 -8.333 -0.227 -0.243 1.00 0.00 C ATOM 1321 CG LEU A 85 -7.720 0.624 0.871 1.00 0.00 C ATOM 1322 CD1 LEU A 85 -8.338 2.013 0.882 1.00 0.00 C ATOM 1323 CD2 LEU A 85 -7.904 -0.055 2.220 1.00 0.00 C ATOM 0 H LEU A 85 -6.424 0.302 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.008 -1.904 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.649 0.433 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.230 -0.711 0.143 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.652 0.726 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.890 2.604 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.156 2.500 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.412 1.932 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.462 0.563 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.968 -0.187 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.414 -1.029 2.207 1.00 0.00 H new ATOM 1335 N ASP A 86 -8.204 -1.872 -3.042 1.00 0.00 N ATOM 1336 CA ASP A 86 -8.921 -2.663 -4.036 1.00 0.00 C ATOM 1337 C ASP A 86 -8.079 -3.845 -4.506 1.00 0.00 C ATOM 1338 O ASP A 86 -8.596 -4.945 -4.704 1.00 0.00 O ATOM 1339 CB ASP A 86 -9.304 -1.789 -5.232 1.00 0.00 C ATOM 1340 CG ASP A 86 -10.522 -2.315 -5.966 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -10.550 -3.524 -6.278 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -11.446 -1.517 -6.231 1.00 0.00 O ATOM 0 H ASP A 86 -7.724 -1.055 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.827 -3.050 -3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.501 -0.774 -4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.463 -1.734 -5.923 1.00 0.00 H new ATOM 1347 N SER A 87 -6.784 -3.611 -4.683 1.00 0.00 N ATOM 1348 CA SER A 87 -5.871 -4.656 -5.133 1.00 0.00 C ATOM 1349 C SER A 87 -5.907 -5.861 -4.196 1.00 0.00 C ATOM 1350 O SER A 87 -5.669 -6.993 -4.616 1.00 0.00 O ATOM 1351 CB SER A 87 -4.444 -4.111 -5.222 1.00 0.00 C ATOM 1352 OG SER A 87 -3.513 -5.153 -5.459 1.00 0.00 O ATOM 0 H SER A 87 -6.342 -2.706 -4.522 1.00 0.00 H new ATOM 0 HA SER A 87 -6.195 -4.980 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.382 -3.375 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.190 -3.596 -4.296 1.00 0.00 H new ATOM 0 HG SER A 87 -2.609 -4.778 -5.513 1.00 0.00 H new ATOM 1358 N VAL A 88 -6.205 -5.610 -2.926 1.00 0.00 N ATOM 1359 CA VAL A 88 -6.271 -6.675 -1.932 1.00 0.00 C ATOM 1360 C VAL A 88 -7.448 -7.606 -2.197 1.00 0.00 C ATOM 1361 O VAL A 88 -7.267 -8.801 -2.434 1.00 0.00 O ATOM 1362 CB VAL A 88 -6.391 -6.104 -0.505 1.00 0.00 C ATOM 1363 CG1 VAL A 88 -6.296 -7.218 0.527 1.00 0.00 C ATOM 1364 CG2 VAL A 88 -5.324 -5.047 -0.259 1.00 0.00 C ATOM 0 H VAL A 88 -6.405 -4.679 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.342 -7.240 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.368 -5.630 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.383 -6.795 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.101 -7.934 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.335 -7.724 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.426 -4.656 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.336 -5.492 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.445 -4.234 -0.975 1.00 0.00 H new ATOM 1374 N TYR A 89 -8.656 -7.053 -2.152 1.00 0.00 N ATOM 1375 CA TYR A 89 -9.865 -7.836 -2.386 1.00 0.00 C ATOM 1376 C TYR A 89 -9.985 -8.234 -3.854 1.00 0.00 C ATOM 1377 O TYR A 89 -10.537 -9.285 -4.179 1.00 0.00 O ATOM 1378 CB TYR A 89 -11.101 -7.042 -1.958 1.00 0.00 C ATOM 1379 CG TYR A 89 -10.982 -6.433 -0.579 1.00 0.00 C ATOM 1380 CD1 TYR A 89 -10.648 -7.216 0.520 1.00 0.00 C ATOM 1381 CD2 TYR A 89 -11.204 -5.076 -0.376 1.00 0.00 C ATOM 1382 CE1 TYR A 89 -10.539 -6.662 1.782 1.00 0.00 C ATOM 1383 CE2 TYR A 89 -11.097 -4.516 0.882 1.00 0.00 C ATOM 1384 CZ TYR A 89 -10.764 -5.313 1.958 1.00 0.00 C ATOM 1385 OH TYR A 89 -10.656 -4.759 3.212 1.00 0.00 O ATOM 0 H TYR A 89 -8.824 -6.066 -1.956 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.799 -8.745 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -11.281 -6.248 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.971 -7.699 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -10.471 -8.273 0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -11.464 -4.449 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.279 -7.283 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.273 -3.460 1.023 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.845 -3.799 3.163 1.00 0.00 H new ATOM 1395 N SER A 90 -9.468 -7.386 -4.737 1.00 0.00 N ATOM 1396 CA SER A 90 -9.519 -7.650 -6.170 1.00 0.00 C ATOM 1397 C SER A 90 -8.773 -8.934 -6.517 1.00 0.00 C ATOM 1398 O SER A 90 -9.250 -9.746 -7.309 1.00 0.00 O ATOM 1399 CB SER A 90 -8.924 -6.475 -6.947 1.00 0.00 C ATOM 1400 OG SER A 90 -9.029 -6.681 -8.346 1.00 0.00 O ATOM 0 H SER A 90 -9.009 -6.510 -4.485 1.00 0.00 H new ATOM 0 HA SER A 90 -10.564 -7.773 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.440 -5.555 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.877 -6.347 -6.673 1.00 0.00 H new ATOM 0 HG SER A 90 -8.643 -5.915 -8.819 1.00 0.00 H new ATOM 1406 N HIS A 91 -7.597 -9.110 -5.921 1.00 0.00 N ATOM 1407 CA HIS A 91 -6.786 -10.296 -6.169 1.00 0.00 C ATOM 1408 C HIS A 91 -7.186 -11.437 -5.240 1.00 0.00 C ATOM 1409 O HIS A 91 -7.163 -12.604 -5.628 1.00 0.00 O ATOM 1410 CB HIS A 91 -5.302 -9.971 -5.985 1.00 0.00 C ATOM 1411 CG HIS A 91 -4.702 -9.240 -7.146 1.00 0.00 C ATOM 1412 ND1 HIS A 91 -4.966 -9.540 -8.464 1.00 0.00 N ATOM 1413 CD2 HIS A 91 -3.831 -8.199 -7.168 1.00 0.00 C ATOM 1414 CE1 HIS A 91 -4.265 -8.694 -9.228 1.00 0.00 C ATOM 1415 NE2 HIS A 91 -3.559 -7.858 -8.491 1.00 0.00 N ATOM 0 H HIS A 91 -7.186 -8.447 -5.264 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.959 -10.613 -7.197 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -5.179 -9.370 -5.084 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.752 -10.899 -5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.415 -7.713 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.276 -8.695 -10.308 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.942 -7.116 -8.821 1.00 0.00 H new ATOM 1423 N LEU A 92 -7.552 -11.092 -4.009 1.00 0.00 N ATOM 1424 CA LEU A 92 -7.957 -12.087 -3.025 1.00 0.00 C ATOM 1425 C LEU A 92 -9.462 -12.027 -2.774 1.00 0.00 C ATOM 1426 O LEU A 92 -9.915 -11.400 -1.816 1.00 0.00 O ATOM 1427 CB LEU A 92 -7.200 -11.874 -1.713 1.00 0.00 C ATOM 1428 CG LEU A 92 -5.687 -12.088 -1.796 1.00 0.00 C ATOM 1429 CD1 LEU A 92 -5.042 -11.868 -0.437 1.00 0.00 C ATOM 1430 CD2 LEU A 92 -5.375 -13.482 -2.318 1.00 0.00 C ATOM 0 H LEU A 92 -7.576 -10.130 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.714 -13.073 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.389 -10.859 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -7.607 -12.552 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.273 -11.360 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.966 -12.024 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.237 -10.849 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.460 -12.572 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.295 -13.617 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.802 -14.226 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.805 -13.603 -3.312 1.00 0.00 H new ATOM 1442 N PRO A 93 -10.259 -12.681 -3.636 1.00 0.00 N ATOM 1443 CA PRO A 93 -11.719 -12.699 -3.503 1.00 0.00 C ATOM 1444 C PRO A 93 -12.186 -13.575 -2.345 1.00 0.00 C ATOM 1445 O PRO A 93 -13.258 -13.354 -1.780 1.00 0.00 O ATOM 1446 CB PRO A 93 -12.186 -13.282 -4.837 1.00 0.00 C ATOM 1447 CG PRO A 93 -11.051 -14.133 -5.293 1.00 0.00 C ATOM 1448 CD PRO A 93 -9.800 -13.454 -4.807 1.00 0.00 C ATOM 0 HA PRO A 93 -12.122 -11.709 -3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.097 -13.868 -4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.406 -12.495 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.131 -15.141 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.046 -14.228 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.031 -14.177 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.372 -12.807 -5.572 1.00 0.00 H new ATOM 1456 N ASP A 94 -11.377 -14.570 -1.998 1.00 0.00 N ATOM 1457 CA ASP A 94 -11.707 -15.482 -0.908 1.00 0.00 C ATOM 1458 C ASP A 94 -11.892 -14.722 0.403 1.00 0.00 C ATOM 1459 O ASP A 94 -12.678 -15.126 1.260 1.00 0.00 O ATOM 1460 CB ASP A 94 -10.613 -16.538 -0.751 1.00 0.00 C ATOM 1461 CG ASP A 94 -11.177 -17.925 -0.515 1.00 0.00 C ATOM 1462 OD1 ASP A 94 -11.419 -18.643 -1.507 1.00 0.00 O ATOM 1463 OD2 ASP A 94 -11.377 -18.293 0.661 1.00 0.00 O ATOM 0 H ASP A 94 -10.487 -14.766 -2.456 1.00 0.00 H new ATOM 0 HA ASP A 94 -12.647 -15.977 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.992 -16.549 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.966 -16.265 0.083 1.00 0.00 H new ATOM 1468 N LEU A 95 -11.163 -13.620 0.551 1.00 0.00 N ATOM 1469 CA LEU A 95 -11.247 -12.805 1.758 1.00 0.00 C ATOM 1470 C LEU A 95 -12.605 -12.124 1.863 1.00 0.00 C ATOM 1471 O LEU A 95 -13.280 -12.213 2.888 1.00 0.00 O ATOM 1472 CB LEU A 95 -10.135 -11.755 1.768 1.00 0.00 C ATOM 1473 CG LEU A 95 -8.722 -12.305 1.568 1.00 0.00 C ATOM 1474 CD1 LEU A 95 -7.722 -11.169 1.431 1.00 0.00 C ATOM 1475 CD2 LEU A 95 -8.340 -13.218 2.723 1.00 0.00 C ATOM 0 H LEU A 95 -10.508 -13.271 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 95 -11.124 -13.463 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.338 -11.025 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.169 -11.221 2.718 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.705 -12.888 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.722 -11.579 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.986 -10.553 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.739 -10.558 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.332 -13.601 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.373 -12.657 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.041 -14.051 2.775 1.00 0.00 H new