USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 834 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 21 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 27 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.06) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 32 SER OG : rot -112:sc= 0.212 USER MOD Single : A 36 MET CE :methyl 160:sc= -0.11 (180deg=-0.627) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 56 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.018) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 72 THR OG1 : rot 56:sc= 2.01 USER MOD Single : A 76 GLN : amide:sc= 0.127 K(o=0.13,f=-0.66) USER MOD Single : A 77 GLN : amide:sc= -1.01 K(o=-1,f=-5.2!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 87 CYS SG : rot 71:sc= 0.424 USER MOD Single : A 89 THR OG1 : rot 18:sc= 0.018 USER MOD Single : A 97 MET CE :methyl -108:sc= -0.0153 (180deg=-0.276) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.7) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 111 SER OG : rot -85:sc= 1.07 USER MOD Single : A 120 MET CE :methyl -114:sc= -1.69 (180deg=-5.07!) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 10.459 13.387 -1.359 1.00 0.00 N ATOM 229 CA ARG A 15 11.598 14.100 -0.789 1.00 0.00 C ATOM 230 C ARG A 15 11.451 14.250 0.718 1.00 0.00 C ATOM 231 O ARG A 15 12.224 14.957 1.362 1.00 0.00 O ATOM 232 CB ARG A 15 11.805 15.460 -1.474 1.00 0.00 C ATOM 233 CG ARG A 15 10.528 16.153 -1.930 1.00 0.00 C ATOM 234 CD ARG A 15 9.766 16.806 -0.786 1.00 0.00 C ATOM 235 NE ARG A 15 8.581 17.500 -1.282 1.00 0.00 N ATOM 236 CZ ARG A 15 8.061 18.602 -0.741 1.00 0.00 C ATOM 237 NH1 ARG A 15 8.590 19.140 0.352 1.00 0.00 N ATOM 238 NH2 ARG A 15 7.012 19.168 -1.312 1.00 0.00 N ATOM 0 HA ARG A 15 12.492 13.504 -0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.332 16.120 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.453 15.319 -2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.778 16.911 -2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.882 15.426 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.472 16.048 -0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.415 17.511 -0.266 1.00 0.00 H new ATOM 0 HE ARG A 15 8.116 17.113 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.405 18.710 0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.181 19.983 0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.610 18.761 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.605 20.011 -0.908 1.00 0.00 H new ATOM 252 N ALA A 16 10.452 13.571 1.267 1.00 0.00 N ATOM 253 CA ALA A 16 10.242 13.509 2.705 1.00 0.00 C ATOM 254 C ALA A 16 9.292 12.367 3.033 1.00 0.00 C ATOM 255 O ALA A 16 8.082 12.472 2.811 1.00 0.00 O ATOM 256 CB ALA A 16 9.697 14.827 3.236 1.00 0.00 C ATOM 0 H ALA A 16 9.764 13.047 0.726 1.00 0.00 H new ATOM 0 HA ALA A 16 11.201 13.328 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.550 14.752 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.406 15.627 3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.745 15.048 2.754 1.00 0.00 H new ATOM 262 N ALA A 17 9.846 11.268 3.526 1.00 0.00 N ATOM 263 CA ALA A 17 9.051 10.092 3.835 1.00 0.00 C ATOM 264 C ALA A 17 9.294 9.625 5.264 1.00 0.00 C ATOM 265 O ALA A 17 10.362 9.109 5.594 1.00 0.00 O ATOM 266 CB ALA A 17 9.363 8.971 2.852 1.00 0.00 C ATOM 0 H ALA A 17 10.842 11.168 3.720 1.00 0.00 H new ATOM 0 HA ALA A 17 7.999 10.361 3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.760 8.096 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.132 9.301 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.420 8.713 2.918 1.00 0.00 H new ATOM 272 N ASP A 18 8.297 9.830 6.106 1.00 0.00 N ATOM 273 CA ASP A 18 8.333 9.367 7.485 1.00 0.00 C ATOM 274 C ASP A 18 7.115 8.508 7.756 1.00 0.00 C ATOM 275 O ASP A 18 6.198 8.437 6.939 1.00 0.00 O ATOM 276 CB ASP A 18 8.320 10.540 8.476 1.00 0.00 C ATOM 277 CG ASP A 18 9.574 11.382 8.444 1.00 0.00 C ATOM 278 OD1 ASP A 18 10.619 10.914 8.940 1.00 0.00 O ATOM 279 OD2 ASP A 18 9.508 12.531 7.966 1.00 0.00 O ATOM 0 H ASP A 18 7.439 10.322 5.855 1.00 0.00 H new ATOM 0 HA ASP A 18 9.254 8.800 7.621 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.461 11.176 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.182 10.150 9.484 1.00 0.00 H new ATOM 284 N GLY A 19 7.092 7.868 8.908 1.00 0.00 N ATOM 285 CA GLY A 19 5.898 7.180 9.331 1.00 0.00 C ATOM 286 C GLY A 19 4.861 8.146 9.869 1.00 0.00 C ATOM 287 O GLY A 19 3.704 7.784 10.074 1.00 0.00 O ATOM 0 H GLY A 19 7.877 7.812 9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.479 6.626 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.151 6.450 10.100 1.00 0.00 H new ATOM 291 N ARG A 20 5.286 9.383 10.092 1.00 0.00 N ATOM 292 CA ARG A 20 4.416 10.412 10.643 1.00 0.00 C ATOM 293 C ARG A 20 4.183 11.542 9.642 1.00 0.00 C ATOM 294 O ARG A 20 3.277 12.356 9.818 1.00 0.00 O ATOM 295 CB ARG A 20 5.024 10.967 11.931 1.00 0.00 C ATOM 296 CG ARG A 20 5.079 9.950 13.058 1.00 0.00 C ATOM 297 CD ARG A 20 6.036 10.382 14.156 1.00 0.00 C ATOM 298 NE ARG A 20 7.418 10.426 13.680 1.00 0.00 N ATOM 299 CZ ARG A 20 8.401 9.677 14.181 1.00 0.00 C ATOM 300 NH1 ARG A 20 8.159 8.844 15.189 1.00 0.00 N ATOM 301 NH2 ARG A 20 9.626 9.764 13.676 1.00 0.00 N ATOM 0 H ARG A 20 6.236 9.699 9.898 1.00 0.00 H new ATOM 0 HA ARG A 20 3.450 9.958 10.862 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.033 11.324 11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.442 11.829 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.081 9.816 13.476 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.391 8.984 12.662 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.746 11.366 14.525 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.962 9.692 14.996 1.00 0.00 H new ATOM 0 HE ARG A 20 7.643 11.068 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.220 8.777 15.581 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.913 8.272 15.570 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.815 10.404 12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.378 9.191 14.060 1.00 0.00 H new ATOM 315 N HIS A 21 4.998 11.588 8.592 1.00 0.00 N ATOM 316 CA HIS A 21 4.881 12.625 7.568 1.00 0.00 C ATOM 317 C HIS A 21 5.135 12.036 6.191 1.00 0.00 C ATOM 318 O HIS A 21 6.020 11.206 6.025 1.00 0.00 O ATOM 319 CB HIS A 21 5.876 13.767 7.808 1.00 0.00 C ATOM 320 CG HIS A 21 5.675 14.503 9.097 1.00 0.00 C ATOM 321 ND1 HIS A 21 6.643 14.595 10.074 1.00 0.00 N ATOM 322 CD2 HIS A 21 4.610 15.197 9.561 1.00 0.00 C ATOM 323 CE1 HIS A 21 6.180 15.309 11.082 1.00 0.00 C ATOM 324 NE2 HIS A 21 4.948 15.686 10.796 1.00 0.00 N ATOM 0 H HIS A 21 5.749 10.918 8.427 1.00 0.00 H new ATOM 0 HA HIS A 21 3.868 13.023 7.624 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.887 13.361 7.790 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.802 14.476 6.984 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.668 15.339 9.052 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.718 15.545 11.988 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.346 16.249 11.396 1.00 0.00 H new ATOM 333 N ALA A 22 4.364 12.466 5.212 1.00 0.00 N ATOM 334 CA ALA A 22 4.525 11.989 3.846 1.00 0.00 C ATOM 335 C ALA A 22 4.281 13.119 2.862 1.00 0.00 C ATOM 336 O ALA A 22 3.179 13.660 2.786 1.00 0.00 O ATOM 337 CB ALA A 22 3.582 10.829 3.565 1.00 0.00 C ATOM 0 H ALA A 22 3.615 13.148 5.334 1.00 0.00 H new ATOM 0 HA ALA A 22 5.548 11.634 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.720 10.489 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.798 10.010 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.552 11.156 3.704 1.00 0.00 H new ATOM 343 N LYS A 23 5.313 13.489 2.125 1.00 0.00 N ATOM 344 CA LYS A 23 5.200 14.576 1.170 1.00 0.00 C ATOM 345 C LYS A 23 5.326 14.059 -0.253 1.00 0.00 C ATOM 346 O LYS A 23 6.432 13.896 -0.773 1.00 0.00 O ATOM 347 CB LYS A 23 6.260 15.643 1.440 1.00 0.00 C ATOM 348 CG LYS A 23 6.195 16.211 2.846 1.00 0.00 C ATOM 349 CD LYS A 23 7.214 17.317 3.051 1.00 0.00 C ATOM 350 CE LYS A 23 7.317 17.709 4.515 1.00 0.00 C ATOM 351 NZ LYS A 23 8.319 18.782 4.731 1.00 0.00 N ATOM 0 H LYS A 23 6.235 13.055 2.169 1.00 0.00 H new ATOM 0 HA LYS A 23 4.215 15.027 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.248 15.214 1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.140 16.454 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.194 16.598 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.372 15.415 3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.189 16.987 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.933 18.188 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.343 18.045 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.588 16.835 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.359 19.021 5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.254 18.453 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.047 19.625 4.187 1.00 0.00 H new ATOM 365 N VAL A 24 4.187 13.776 -0.864 1.00 0.00 N ATOM 366 CA VAL A 24 4.151 13.331 -2.246 1.00 0.00 C ATOM 367 C VAL A 24 4.068 14.545 -3.157 1.00 0.00 C ATOM 368 O VAL A 24 3.029 15.209 -3.216 1.00 0.00 O ATOM 369 CB VAL A 24 2.951 12.398 -2.520 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.999 11.855 -3.943 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.912 11.259 -1.514 1.00 0.00 C ATOM 0 H VAL A 24 3.271 13.847 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 24 5.062 12.765 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 24 2.038 12.983 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.144 11.201 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.967 12.684 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.921 11.291 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.059 10.615 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.832 10.678 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.818 11.666 -0.507 1.00 0.00 H new ATOM 381 N ASN A 25 5.176 14.838 -3.837 1.00 0.00 N ATOM 382 CA ASN A 25 5.302 16.038 -4.671 1.00 0.00 C ATOM 383 C ASN A 25 5.357 17.284 -3.796 1.00 0.00 C ATOM 384 O ASN A 25 6.417 17.880 -3.613 1.00 0.00 O ATOM 385 CB ASN A 25 4.146 16.156 -5.674 1.00 0.00 C ATOM 386 CG ASN A 25 4.251 17.390 -6.556 1.00 0.00 C ATOM 387 OD1 ASN A 25 5.345 17.854 -6.875 1.00 0.00 O ATOM 388 ND2 ASN A 25 3.110 17.931 -6.955 1.00 0.00 N ATOM 0 H ASN A 25 6.011 14.253 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 25 6.230 15.950 -5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.126 15.266 -6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.202 16.183 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.119 18.761 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.222 17.517 -6.670 1.00 0.00 H new ATOM 395 N GLU A 26 4.216 17.650 -3.235 1.00 0.00 N ATOM 396 CA GLU A 26 4.121 18.830 -2.387 1.00 0.00 C ATOM 397 C GLU A 26 3.128 18.613 -1.249 1.00 0.00 C ATOM 398 O GLU A 26 3.375 19.025 -0.115 1.00 0.00 O ATOM 399 CB GLU A 26 3.715 20.054 -3.214 1.00 0.00 C ATOM 400 CG GLU A 26 3.532 21.324 -2.393 1.00 0.00 C ATOM 401 CD GLU A 26 4.814 21.807 -1.735 1.00 0.00 C ATOM 402 OE1 GLU A 26 5.305 21.142 -0.799 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.320 22.876 -2.133 1.00 0.00 O ATOM 0 H GLU A 26 3.338 17.145 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 26 5.104 19.008 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.474 20.233 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.784 19.834 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.144 22.112 -3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.782 21.145 -1.623 1.00 0.00 H new ATOM 410 N GLN A 27 2.016 17.954 -1.547 1.00 0.00 N ATOM 411 CA GLN A 27 0.952 17.790 -0.567 1.00 0.00 C ATOM 412 C GLN A 27 1.381 16.839 0.547 1.00 0.00 C ATOM 413 O GLN A 27 1.655 15.660 0.304 1.00 0.00 O ATOM 414 CB GLN A 27 -0.324 17.272 -1.241 1.00 0.00 C ATOM 415 CG GLN A 27 -1.529 17.243 -0.311 1.00 0.00 C ATOM 416 CD GLN A 27 -2.791 16.727 -0.983 1.00 0.00 C ATOM 417 OE1 GLN A 27 -3.900 17.133 -0.636 1.00 0.00 O ATOM 418 NE2 GLN A 27 -2.636 15.820 -1.934 1.00 0.00 N ATOM 0 H GLN A 27 1.828 17.527 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 27 0.745 18.765 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.553 17.901 -2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.143 16.266 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.301 16.615 0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.712 18.249 0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.700 15.508 -2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.452 15.433 -2.407 1.00 0.00 H new ATOM 427 N ILE A 28 1.456 17.367 1.761 1.00 0.00 N ATOM 428 CA ILE A 28 1.788 16.567 2.926 1.00 0.00 C ATOM 429 C ILE A 28 0.565 15.773 3.359 1.00 0.00 C ATOM 430 O ILE A 28 -0.352 16.311 3.981 1.00 0.00 O ATOM 431 CB ILE A 28 2.273 17.442 4.103 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.412 18.360 3.652 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.723 16.565 5.265 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.846 19.354 4.708 1.00 0.00 C ATOM 0 H ILE A 28 1.290 18.353 1.963 1.00 0.00 H new ATOM 0 HA ILE A 28 2.600 15.894 2.650 1.00 0.00 H new ATOM 0 HB ILE A 28 1.443 18.063 4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.268 17.749 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.098 18.904 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.062 17.196 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.889 15.949 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.541 15.922 4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.656 19.970 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.003 19.991 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.192 18.818 5.592 1.00 0.00 H new ATOM 446 N LEU A 29 0.545 14.503 3.011 1.00 0.00 N ATOM 447 CA LEU A 29 -0.602 13.659 3.286 1.00 0.00 C ATOM 448 C LEU A 29 -0.497 13.024 4.664 1.00 0.00 C ATOM 449 O LEU A 29 0.174 12.012 4.844 1.00 0.00 O ATOM 450 CB LEU A 29 -0.742 12.584 2.206 1.00 0.00 C ATOM 451 CG LEU A 29 -1.147 13.109 0.827 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.056 12.008 -0.218 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.556 13.678 0.873 1.00 0.00 C ATOM 0 H LEU A 29 1.313 14.030 2.535 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.495 14.284 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.207 12.056 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.483 11.854 2.533 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.456 13.904 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.349 12.404 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.032 11.639 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.723 11.190 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.831 14.048 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.254 12.897 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.594 14.497 1.591 1.00 0.00 H new ATOM 465 N GLN A 30 -1.152 13.645 5.635 1.00 0.00 N ATOM 466 CA GLN A 30 -1.232 13.106 6.988 1.00 0.00 C ATOM 467 C GLN A 30 -2.450 12.193 7.110 1.00 0.00 C ATOM 468 O GLN A 30 -3.136 12.167 8.133 1.00 0.00 O ATOM 469 CB GLN A 30 -1.318 14.248 8.005 1.00 0.00 C ATOM 470 CG GLN A 30 -2.410 15.263 7.696 1.00 0.00 C ATOM 471 CD GLN A 30 -2.585 16.285 8.801 1.00 0.00 C ATOM 472 OE1 GLN A 30 -1.935 17.332 8.807 1.00 0.00 O ATOM 473 NE2 GLN A 30 -3.467 15.991 9.742 1.00 0.00 N ATOM 0 H GLN A 30 -1.641 14.532 5.510 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.334 12.524 7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.495 13.828 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.357 14.762 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.170 15.777 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.353 14.740 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.984 15.113 9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.630 16.642 10.510 1.00 0.00 H new ATOM 482 N GLN A 31 -2.700 11.439 6.050 1.00 0.00 N ATOM 483 CA GLN A 31 -3.859 10.564 5.967 1.00 0.00 C ATOM 484 C GLN A 31 -3.422 9.196 5.461 1.00 0.00 C ATOM 485 O GLN A 31 -2.243 8.848 5.537 1.00 0.00 O ATOM 486 CB GLN A 31 -4.901 11.161 5.012 1.00 0.00 C ATOM 487 CG GLN A 31 -5.324 12.577 5.370 1.00 0.00 C ATOM 488 CD GLN A 31 -6.302 13.167 4.373 1.00 0.00 C ATOM 489 OE1 GLN A 31 -7.097 12.455 3.762 1.00 0.00 O ATOM 490 NE2 GLN A 31 -6.243 14.476 4.192 1.00 0.00 N ATOM 0 H GLN A 31 -2.104 11.417 5.222 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.305 10.462 6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.496 11.158 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.782 10.520 5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.778 12.576 6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.440 13.213 5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.570 15.034 4.718 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.871 14.928 3.527 1.00 0.00 H new ATOM 499 N SER A 32 -4.366 8.424 4.952 1.00 0.00 N ATOM 500 CA SER A 32 -4.050 7.153 4.333 1.00 0.00 C ATOM 501 C SER A 32 -4.413 7.217 2.856 1.00 0.00 C ATOM 502 O SER A 32 -5.489 7.700 2.498 1.00 0.00 O ATOM 503 CB SER A 32 -4.802 6.017 5.023 1.00 0.00 C ATOM 504 OG SER A 32 -4.347 4.752 4.581 1.00 0.00 O ATOM 0 H SER A 32 -5.359 8.657 4.956 1.00 0.00 H new ATOM 0 HA SER A 32 -2.983 6.956 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.671 6.095 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.869 6.111 4.823 1.00 0.00 H new ATOM 0 HG SER A 32 -5.054 4.312 4.065 1.00 0.00 H new ATOM 510 N PHE A 33 -3.511 6.758 2.005 1.00 0.00 N ATOM 511 CA PHE A 33 -3.719 6.843 0.567 1.00 0.00 C ATOM 512 C PHE A 33 -3.076 5.663 -0.147 1.00 0.00 C ATOM 513 O PHE A 33 -2.233 4.964 0.420 1.00 0.00 O ATOM 514 CB PHE A 33 -3.153 8.162 0.024 1.00 0.00 C ATOM 515 CG PHE A 33 -1.675 8.339 0.252 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.196 8.811 1.465 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.765 8.038 -0.751 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.159 8.977 1.673 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.591 8.203 -0.547 1.00 0.00 C ATOM 520 CZ PHE A 33 1.054 8.673 0.666 1.00 0.00 C ATOM 0 H PHE A 33 -2.630 6.324 2.282 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.792 6.814 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.354 8.217 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.683 8.992 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.891 9.052 2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.121 7.670 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.519 9.344 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.289 7.965 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.114 8.803 0.827 1.00 0.00 H new ATOM 530 N ILE A 34 -3.475 5.453 -1.395 1.00 0.00 N ATOM 531 CA ILE A 34 -2.940 4.366 -2.200 1.00 0.00 C ATOM 532 C ILE A 34 -2.128 4.927 -3.361 1.00 0.00 C ATOM 533 O ILE A 34 -2.682 5.517 -4.289 1.00 0.00 O ATOM 534 CB ILE A 34 -4.059 3.465 -2.762 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.028 3.056 -1.649 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.461 2.230 -3.427 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.260 2.338 -2.153 1.00 0.00 C ATOM 0 H ILE A 34 -4.171 6.025 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.305 3.764 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.614 4.029 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.505 2.411 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.335 3.947 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.262 1.604 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.808 2.537 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.885 1.665 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.900 2.079 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.806 2.988 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.963 1.429 -2.676 1.00 0.00 H new ATOM 549 N LEU A 35 -0.821 4.742 -3.303 1.00 0.00 N ATOM 550 CA LEU A 35 0.069 5.252 -4.333 1.00 0.00 C ATOM 551 C LEU A 35 0.552 4.115 -5.224 1.00 0.00 C ATOM 552 O LEU A 35 1.131 3.142 -4.747 1.00 0.00 O ATOM 553 CB LEU A 35 1.261 5.968 -3.688 1.00 0.00 C ATOM 554 CG LEU A 35 2.313 6.516 -4.657 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.702 7.540 -5.600 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.472 7.130 -3.886 1.00 0.00 C ATOM 0 H LEU A 35 -0.350 4.240 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.477 5.966 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.882 6.795 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.750 5.275 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 35 2.690 5.687 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.469 7.914 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.904 7.073 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.294 8.369 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.212 7.515 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.103 7.945 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.932 6.370 -3.254 1.00 0.00 H new ATOM 568 N MET A 36 0.290 4.230 -6.516 1.00 0.00 N ATOM 569 CA MET A 36 0.718 3.222 -7.472 1.00 0.00 C ATOM 570 C MET A 36 1.532 3.871 -8.583 1.00 0.00 C ATOM 571 O MET A 36 1.392 5.068 -8.834 1.00 0.00 O ATOM 572 CB MET A 36 -0.498 2.499 -8.065 1.00 0.00 C ATOM 573 CG MET A 36 -1.354 1.784 -7.031 1.00 0.00 C ATOM 574 SD MET A 36 -2.744 0.899 -7.766 1.00 0.00 S ATOM 575 CE MET A 36 -1.888 -0.322 -8.756 1.00 0.00 C ATOM 0 H MET A 36 -0.218 5.013 -6.927 1.00 0.00 H new ATOM 0 HA MET A 36 1.340 2.492 -6.955 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.116 3.223 -8.596 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.153 1.773 -8.802 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.734 1.080 -6.476 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.731 2.512 -6.312 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.564 -1.147 -8.982 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.550 0.135 -9.686 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.027 -0.699 -8.204 1.00 0.00 H new ATOM 585 N PRO A 37 2.403 3.101 -9.257 1.00 0.00 N ATOM 586 CA PRO A 37 3.192 3.586 -10.403 1.00 0.00 C ATOM 587 C PRO A 37 2.333 3.761 -11.655 1.00 0.00 C ATOM 588 O PRO A 37 2.798 3.583 -12.782 1.00 0.00 O ATOM 589 CB PRO A 37 4.232 2.476 -10.629 1.00 0.00 C ATOM 590 CG PRO A 37 4.131 1.583 -9.438 1.00 0.00 C ATOM 591 CD PRO A 37 2.719 1.703 -8.951 1.00 0.00 C ATOM 0 HA PRO A 37 3.632 4.564 -10.206 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.027 1.928 -11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.235 2.892 -10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.366 0.552 -9.702 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.838 1.883 -8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.051 1.013 -9.466 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.637 1.491 -7.885 1.00 0.00 H new ATOM 599 N ASP A 38 1.084 4.134 -11.442 1.00 0.00 N ATOM 600 CA ASP A 38 0.121 4.284 -12.515 1.00 0.00 C ATOM 601 C ASP A 38 -0.777 5.477 -12.218 1.00 0.00 C ATOM 602 O ASP A 38 -0.729 6.492 -12.912 1.00 0.00 O ATOM 603 CB ASP A 38 -0.702 3.000 -12.660 1.00 0.00 C ATOM 604 CG ASP A 38 -1.737 3.078 -13.760 1.00 0.00 C ATOM 605 OD1 ASP A 38 -1.353 3.100 -14.949 1.00 0.00 O ATOM 606 OD2 ASP A 38 -2.941 3.089 -13.439 1.00 0.00 O ATOM 0 H ASP A 38 0.709 4.342 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 38 0.640 4.461 -13.457 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.030 2.166 -12.861 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.201 2.787 -11.715 1.00 0.00 H new ATOM 611 N GLU A 39 -1.569 5.362 -11.160 1.00 0.00 N ATOM 612 CA GLU A 39 -2.376 6.474 -10.680 1.00 0.00 C ATOM 613 C GLU A 39 -2.287 6.572 -9.162 1.00 0.00 C ATOM 614 O GLU A 39 -1.564 5.805 -8.522 1.00 0.00 O ATOM 615 CB GLU A 39 -3.836 6.332 -11.120 1.00 0.00 C ATOM 616 CG GLU A 39 -4.038 6.490 -12.619 1.00 0.00 C ATOM 617 CD GLU A 39 -5.497 6.573 -13.006 1.00 0.00 C ATOM 618 OE1 GLU A 39 -6.113 5.518 -13.269 1.00 0.00 O ATOM 619 OE2 GLU A 39 -6.042 7.699 -13.054 1.00 0.00 O ATOM 0 H GLU A 39 -1.669 4.505 -10.616 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.982 7.391 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.206 5.354 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.438 7.078 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.525 7.390 -12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.577 5.647 -13.134 1.00 0.00 H new ATOM 626 N LEU A 40 -3.024 7.513 -8.593 1.00 0.00 N ATOM 627 CA LEU A 40 -2.974 7.766 -7.162 1.00 0.00 C ATOM 628 C LEU A 40 -4.377 7.871 -6.583 1.00 0.00 C ATOM 629 O LEU A 40 -5.198 8.655 -7.061 1.00 0.00 O ATOM 630 CB LEU A 40 -2.197 9.061 -6.886 1.00 0.00 C ATOM 631 CG LEU A 40 -2.247 9.573 -5.440 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.589 8.588 -4.488 1.00 0.00 C ATOM 633 CD2 LEU A 40 -1.581 10.936 -5.337 1.00 0.00 C ATOM 0 H LEU A 40 -3.667 8.117 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.464 6.930 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.154 8.902 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.583 9.841 -7.542 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.294 9.672 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.639 8.976 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.109 7.632 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.546 8.449 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.625 11.285 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.540 10.857 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.100 11.644 -5.982 1.00 0.00 H new ATOM 645 N VAL A 41 -4.650 7.070 -5.564 1.00 0.00 N ATOM 646 CA VAL A 41 -5.894 7.178 -4.825 1.00 0.00 C ATOM 647 C VAL A 41 -5.658 8.050 -3.602 1.00 0.00 C ATOM 648 O VAL A 41 -5.087 7.601 -2.607 1.00 0.00 O ATOM 649 CB VAL A 41 -6.436 5.801 -4.384 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.797 5.946 -3.715 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.516 4.848 -5.567 1.00 0.00 C ATOM 0 H VAL A 41 -4.024 6.337 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.642 7.622 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.742 5.381 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.160 4.964 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.705 6.585 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.501 6.393 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.900 3.884 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.183 5.262 -6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.522 4.714 -5.994 1.00 0.00 H new ATOM 661 N GLU A 42 -6.073 9.302 -3.699 1.00 0.00 N ATOM 662 CA GLU A 42 -5.796 10.288 -2.667 1.00 0.00 C ATOM 663 C GLU A 42 -6.797 10.171 -1.524 1.00 0.00 C ATOM 664 O GLU A 42 -6.468 10.438 -0.368 1.00 0.00 O ATOM 665 CB GLU A 42 -5.840 11.695 -3.273 1.00 0.00 C ATOM 666 CG GLU A 42 -5.433 12.799 -2.311 1.00 0.00 C ATOM 667 CD GLU A 42 -5.625 14.176 -2.907 1.00 0.00 C ATOM 668 OE1 GLU A 42 -6.756 14.700 -2.844 1.00 0.00 O ATOM 669 OE2 GLU A 42 -4.652 14.736 -3.457 1.00 0.00 O ATOM 0 H GLU A 42 -6.608 9.662 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.801 10.103 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.183 11.725 -4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.851 11.894 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.020 12.716 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.387 12.668 -2.032 1.00 0.00 H new ATOM 676 N HIS A 43 -8.013 9.756 -1.848 1.00 0.00 N ATOM 677 CA HIS A 43 -9.068 9.651 -0.851 1.00 0.00 C ATOM 678 C HIS A 43 -9.411 8.192 -0.559 1.00 0.00 C ATOM 679 O HIS A 43 -10.077 7.527 -1.351 1.00 0.00 O ATOM 680 CB HIS A 43 -10.316 10.414 -1.310 1.00 0.00 C ATOM 681 CG HIS A 43 -11.467 10.335 -0.351 1.00 0.00 C ATOM 682 ND1 HIS A 43 -11.409 10.808 0.942 1.00 0.00 N ATOM 683 CD2 HIS A 43 -12.714 9.832 -0.506 1.00 0.00 C ATOM 684 CE1 HIS A 43 -12.567 10.598 1.539 1.00 0.00 C ATOM 685 NE2 HIS A 43 -13.380 10.008 0.681 1.00 0.00 N ATOM 0 H HIS A 43 -8.293 9.487 -2.791 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.703 10.100 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.054 11.461 -1.461 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.634 10.022 -2.276 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.112 9.376 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -12.809 10.864 2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -14.343 9.729 0.869 1.00 0.00 H new ATOM 694 N TRP A 44 -8.943 7.708 0.580 1.00 0.00 N ATOM 695 CA TRP A 44 -9.268 6.370 1.045 1.00 0.00 C ATOM 696 C TRP A 44 -9.565 6.426 2.541 1.00 0.00 C ATOM 697 O TRP A 44 -8.669 6.656 3.354 1.00 0.00 O ATOM 698 CB TRP A 44 -8.114 5.405 0.746 1.00 0.00 C ATOM 699 CG TRP A 44 -8.446 3.963 1.007 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.547 3.280 0.571 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.658 3.021 1.744 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.498 1.977 1.005 1.00 0.00 N ATOM 703 CE2 TRP A 44 -8.344 1.792 1.722 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.437 3.098 2.421 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.853 0.652 2.353 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.949 1.966 3.047 1.00 0.00 C ATOM 707 CH2 TRP A 44 -6.655 0.757 3.007 1.00 0.00 C ATOM 0 H TRP A 44 -8.329 8.230 1.206 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.149 6.000 0.520 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.820 5.517 -0.298 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.252 5.685 1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.340 3.703 -0.028 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.205 1.264 0.823 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.885 4.026 2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.397 -0.281 2.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.008 2.015 3.575 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.246 -0.111 3.503 1.00 0.00 H new ATOM 718 N PRO A 45 -10.842 6.254 2.918 1.00 0.00 N ATOM 719 CA PRO A 45 -11.310 6.449 4.296 1.00 0.00 C ATOM 720 C PRO A 45 -10.882 5.339 5.261 1.00 0.00 C ATOM 721 O PRO A 45 -11.717 4.582 5.760 1.00 0.00 O ATOM 722 CB PRO A 45 -12.843 6.470 4.162 1.00 0.00 C ATOM 723 CG PRO A 45 -13.124 6.514 2.696 1.00 0.00 C ATOM 724 CD PRO A 45 -11.943 5.874 2.030 1.00 0.00 C ATOM 0 HA PRO A 45 -10.882 7.357 4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.287 5.586 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.268 7.337 4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.043 5.979 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.256 7.541 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.053 4.792 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.796 6.247 1.017 1.00 0.00 H new ATOM 732 N VAL A 46 -9.582 5.237 5.509 1.00 0.00 N ATOM 733 CA VAL A 46 -9.056 4.348 6.542 1.00 0.00 C ATOM 734 C VAL A 46 -7.956 5.070 7.321 1.00 0.00 C ATOM 735 O VAL A 46 -6.781 4.981 6.979 1.00 0.00 O ATOM 736 CB VAL A 46 -8.496 3.022 5.962 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.986 2.114 7.074 1.00 0.00 C ATOM 738 CG2 VAL A 46 -9.550 2.300 5.136 1.00 0.00 C ATOM 0 H VAL A 46 -8.867 5.762 5.006 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.885 4.088 7.200 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.660 3.273 5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.599 1.191 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.191 2.620 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.803 1.880 7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.132 1.374 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.410 2.070 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.864 2.937 4.310 1.00 0.00 H new ATOM 748 N PRO A 47 -8.338 5.828 8.362 1.00 0.00 N ATOM 749 CA PRO A 47 -7.402 6.662 9.127 1.00 0.00 C ATOM 750 C PRO A 47 -6.402 5.844 9.941 1.00 0.00 C ATOM 751 O PRO A 47 -5.244 6.230 10.089 1.00 0.00 O ATOM 752 CB PRO A 47 -8.311 7.472 10.065 1.00 0.00 C ATOM 753 CG PRO A 47 -9.697 7.287 9.540 1.00 0.00 C ATOM 754 CD PRO A 47 -9.709 5.946 8.872 1.00 0.00 C ATOM 0 HA PRO A 47 -6.791 7.276 8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.230 7.117 11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.031 8.525 10.069 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.429 7.328 10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.956 8.077 8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.951 5.147 9.573 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.445 5.900 8.069 1.00 0.00 H new ATOM 762 N SER A 48 -6.855 4.715 10.463 1.00 0.00 N ATOM 763 CA SER A 48 -6.022 3.882 11.313 1.00 0.00 C ATOM 764 C SER A 48 -6.503 2.437 11.251 1.00 0.00 C ATOM 765 O SER A 48 -7.425 2.113 10.499 1.00 0.00 O ATOM 766 CB SER A 48 -6.065 4.407 12.755 1.00 0.00 C ATOM 767 OG SER A 48 -5.097 3.767 13.576 1.00 0.00 O ATOM 0 H SER A 48 -7.797 4.355 10.312 1.00 0.00 H new ATOM 0 HA SER A 48 -4.991 3.919 10.961 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.889 5.483 12.756 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.059 4.246 13.172 1.00 0.00 H new ATOM 0 HG SER A 48 -5.151 4.126 14.486 1.00 0.00 H new ATOM 773 N LEU A 49 -5.880 1.572 12.043 1.00 0.00 N ATOM 774 CA LEU A 49 -6.262 0.170 12.089 1.00 0.00 C ATOM 775 C LEU A 49 -7.585 0.004 12.825 1.00 0.00 C ATOM 776 O LEU A 49 -8.072 0.937 13.468 1.00 0.00 O ATOM 777 CB LEU A 49 -5.180 -0.671 12.773 1.00 0.00 C ATOM 778 CG LEU A 49 -3.811 -0.669 12.089 1.00 0.00 C ATOM 779 CD1 LEU A 49 -2.882 -1.653 12.776 1.00 0.00 C ATOM 780 CD2 LEU A 49 -3.944 -1.004 10.611 1.00 0.00 C ATOM 0 H LEU A 49 -5.108 1.819 12.662 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.377 -0.180 11.063 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.057 -0.311 13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.532 -1.700 12.838 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.386 0.331 12.172 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.911 -1.643 12.281 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.759 -1.369 13.821 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.308 -2.655 12.720 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.958 -0.997 10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.390 -1.993 10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.580 -0.263 10.126 1.00 0.00 H new ATOM 792 N GLY A 50 -8.155 -1.184 12.736 1.00 0.00 N ATOM 793 CA GLY A 50 -9.439 -1.437 13.352 1.00 0.00 C ATOM 794 C GLY A 50 -10.504 -1.717 12.318 1.00 0.00 C ATOM 795 O GLY A 50 -11.128 -2.777 12.329 1.00 0.00 O ATOM 0 H GLY A 50 -7.750 -1.982 12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.357 -2.286 14.031 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.731 -0.576 13.953 1.00 0.00 H new ATOM 799 N GLN A 51 -10.706 -0.772 11.412 1.00 0.00 N ATOM 800 CA GLN A 51 -11.676 -0.945 10.338 1.00 0.00 C ATOM 801 C GLN A 51 -10.980 -1.491 9.093 1.00 0.00 C ATOM 802 O GLN A 51 -11.585 -1.640 8.029 1.00 0.00 O ATOM 803 CB GLN A 51 -12.373 0.382 10.020 1.00 0.00 C ATOM 804 CG GLN A 51 -13.611 0.225 9.147 1.00 0.00 C ATOM 805 CD GLN A 51 -14.181 1.552 8.692 1.00 0.00 C ATOM 806 OE1 GLN A 51 -13.801 2.076 7.646 1.00 0.00 O ATOM 807 NE2 GLN A 51 -15.096 2.106 9.471 1.00 0.00 N ATOM 0 H GLN A 51 -10.213 0.121 11.398 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.434 -1.658 10.663 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.656 0.867 10.954 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.666 1.043 9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.360 -0.376 8.273 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.374 -0.322 9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.384 1.639 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.513 3.000 9.212 1.00 0.00 H new ATOM 816 N LEU A 52 -9.694 -1.795 9.235 1.00 0.00 N ATOM 817 CA LEU A 52 -8.920 -2.339 8.131 1.00 0.00 C ATOM 818 C LEU A 52 -9.277 -3.803 7.905 1.00 0.00 C ATOM 819 O LEU A 52 -8.645 -4.710 8.446 1.00 0.00 O ATOM 820 CB LEU A 52 -7.415 -2.188 8.375 1.00 0.00 C ATOM 821 CG LEU A 52 -6.527 -2.632 7.208 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.802 -1.787 5.974 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.059 -2.553 7.592 1.00 0.00 C ATOM 0 H LEU A 52 -9.170 -1.674 10.101 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.171 -1.771 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.201 -1.143 8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.145 -2.766 9.259 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.765 -3.670 6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.162 -2.118 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.847 -1.896 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.595 -0.740 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.445 -2.872 6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.807 -1.526 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.871 -3.204 8.446 1.00 0.00 H new ATOM 835 N GLN A 53 -10.334 -4.008 7.143 1.00 0.00 N ATOM 836 CA GLN A 53 -10.773 -5.334 6.749 1.00 0.00 C ATOM 837 C GLN A 53 -11.077 -5.320 5.258 1.00 0.00 C ATOM 838 O GLN A 53 -11.164 -4.242 4.666 1.00 0.00 O ATOM 839 CB GLN A 53 -12.022 -5.741 7.541 1.00 0.00 C ATOM 840 CG GLN A 53 -11.770 -5.947 9.026 1.00 0.00 C ATOM 841 CD GLN A 53 -13.014 -6.385 9.773 1.00 0.00 C ATOM 842 OE1 GLN A 53 -14.133 -6.038 9.398 1.00 0.00 O ATOM 843 NE2 GLN A 53 -12.826 -7.150 10.835 1.00 0.00 N ATOM 0 H GLN A 53 -10.916 -3.255 6.777 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.988 -6.060 6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.786 -4.974 7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.423 -6.663 7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.989 -6.696 9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.398 -5.019 9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.881 -7.415 11.112 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.626 -7.475 11.377 1.00 0.00 H new ATOM 852 N PRO A 54 -11.238 -6.499 4.621 1.00 0.00 N ATOM 853 CA PRO A 54 -11.600 -6.600 3.199 1.00 0.00 C ATOM 854 C PRO A 54 -12.817 -5.745 2.835 1.00 0.00 C ATOM 855 O PRO A 54 -13.022 -5.417 1.673 1.00 0.00 O ATOM 856 CB PRO A 54 -11.912 -8.092 2.995 1.00 0.00 C ATOM 857 CG PRO A 54 -11.909 -8.704 4.357 1.00 0.00 C ATOM 858 CD PRO A 54 -11.046 -7.827 5.214 1.00 0.00 C ATOM 0 HA PRO A 54 -10.796 -6.233 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.879 -8.225 2.510 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.166 -8.562 2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.921 -8.764 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.518 -9.721 4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.356 -7.852 6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.001 -8.136 5.184 1.00 0.00 H new ATOM 866 N ALA A 55 -13.606 -5.379 3.840 1.00 0.00 N ATOM 867 CA ALA A 55 -14.762 -4.510 3.644 1.00 0.00 C ATOM 868 C ALA A 55 -14.359 -3.151 3.068 1.00 0.00 C ATOM 869 O ALA A 55 -15.065 -2.588 2.231 1.00 0.00 O ATOM 870 CB ALA A 55 -15.489 -4.320 4.963 1.00 0.00 C ATOM 0 H ALA A 55 -13.464 -5.673 4.806 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.424 -4.990 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.351 -3.671 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.824 -5.288 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.814 -3.865 5.688 1.00 0.00 H new ATOM 876 N HIS A 56 -13.226 -2.625 3.524 1.00 0.00 N ATOM 877 CA HIS A 56 -12.726 -1.337 3.040 1.00 0.00 C ATOM 878 C HIS A 56 -11.464 -1.525 2.203 1.00 0.00 C ATOM 879 O HIS A 56 -11.037 -0.619 1.487 1.00 0.00 O ATOM 880 CB HIS A 56 -12.445 -0.392 4.213 1.00 0.00 C ATOM 881 CG HIS A 56 -13.447 0.715 4.359 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.091 2.048 4.416 1.00 0.00 N ATOM 883 CD2 HIS A 56 -14.800 0.687 4.476 1.00 0.00 C ATOM 884 CE1 HIS A 56 -14.176 2.786 4.562 1.00 0.00 C ATOM 885 NE2 HIS A 56 -15.222 1.987 4.599 1.00 0.00 N ATOM 0 H HIS A 56 -12.635 -3.068 4.227 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.496 -0.892 2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.423 -0.972 5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.454 0.043 4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -15.426 -0.193 4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.201 3.863 4.638 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.191 2.287 4.703 1.00 0.00 H new ATOM 894 N MET A 57 -10.873 -2.710 2.302 1.00 0.00 N ATOM 895 CA MET A 57 -9.661 -3.041 1.555 1.00 0.00 C ATOM 896 C MET A 57 -10.029 -3.576 0.171 1.00 0.00 C ATOM 897 O MET A 57 -9.168 -3.773 -0.689 1.00 0.00 O ATOM 898 CB MET A 57 -8.851 -4.088 2.328 1.00 0.00 C ATOM 899 CG MET A 57 -7.460 -4.345 1.772 1.00 0.00 C ATOM 900 SD MET A 57 -6.363 -2.927 1.954 1.00 0.00 S ATOM 901 CE MET A 57 -4.829 -3.609 1.331 1.00 0.00 C ATOM 0 H MET A 57 -11.215 -3.464 2.897 1.00 0.00 H new ATOM 0 HA MET A 57 -9.057 -2.142 1.432 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.760 -3.765 3.365 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.405 -5.026 2.334 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.023 -5.204 2.281 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.538 -4.605 0.716 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.048 -2.850 1.378 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.539 -4.466 1.938 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.965 -3.926 0.297 1.00 0.00 H new ATOM 911 N ASP A 58 -11.327 -3.790 -0.029 1.00 0.00 N ATOM 912 CA ASP A 58 -11.855 -4.356 -1.269 1.00 0.00 C ATOM 913 C ASP A 58 -11.413 -3.552 -2.483 1.00 0.00 C ATOM 914 O ASP A 58 -11.041 -4.121 -3.506 1.00 0.00 O ATOM 915 CB ASP A 58 -13.383 -4.407 -1.210 1.00 0.00 C ATOM 916 CG ASP A 58 -14.006 -4.950 -2.480 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.098 -6.188 -2.620 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.435 -4.142 -3.329 1.00 0.00 O ATOM 0 H ASP A 58 -12.044 -3.576 0.664 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.458 -5.366 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.688 -5.028 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.768 -3.404 -1.023 1.00 0.00 H new ATOM 923 N ALA A 59 -11.441 -2.229 -2.354 1.00 0.00 N ATOM 924 CA ALA A 59 -11.045 -1.342 -3.441 1.00 0.00 C ATOM 925 C ALA A 59 -9.622 -1.637 -3.903 1.00 0.00 C ATOM 926 O ALA A 59 -9.342 -1.671 -5.101 1.00 0.00 O ATOM 927 CB ALA A 59 -11.166 0.110 -3.009 1.00 0.00 C ATOM 0 H ALA A 59 -11.735 -1.747 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.717 -1.519 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.867 0.760 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.199 0.323 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.519 0.289 -2.151 1.00 0.00 H new ATOM 933 N VAL A 60 -8.735 -1.879 -2.946 1.00 0.00 N ATOM 934 CA VAL A 60 -7.335 -2.141 -3.247 1.00 0.00 C ATOM 935 C VAL A 60 -7.193 -3.455 -4.008 1.00 0.00 C ATOM 936 O VAL A 60 -6.443 -3.549 -4.979 1.00 0.00 O ATOM 937 CB VAL A 60 -6.485 -2.206 -1.962 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.003 -2.295 -2.298 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.765 -1.005 -1.072 1.00 0.00 C ATOM 0 H VAL A 60 -8.962 -1.899 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.974 -1.317 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.763 -3.107 -1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.423 -2.340 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.817 -3.193 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.706 -1.416 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.155 -1.070 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.521 -0.089 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.820 -0.994 -0.797 1.00 0.00 H new ATOM 949 N LEU A 61 -7.934 -4.461 -3.570 1.00 0.00 N ATOM 950 CA LEU A 61 -7.894 -5.770 -4.204 1.00 0.00 C ATOM 951 C LEU A 61 -8.576 -5.728 -5.569 1.00 0.00 C ATOM 952 O LEU A 61 -8.154 -6.405 -6.505 1.00 0.00 O ATOM 953 CB LEU A 61 -8.564 -6.810 -3.306 1.00 0.00 C ATOM 954 CG LEU A 61 -7.928 -6.977 -1.922 1.00 0.00 C ATOM 955 CD1 LEU A 61 -8.730 -7.957 -1.083 1.00 0.00 C ATOM 956 CD2 LEU A 61 -6.485 -7.443 -2.048 1.00 0.00 C ATOM 0 H LEU A 61 -8.572 -4.396 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.851 -6.052 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.611 -6.536 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.547 -7.773 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.934 -6.008 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.264 -8.064 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.747 -7.585 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.755 -8.927 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.051 -7.556 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.456 -8.401 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.913 -6.707 -2.613 1.00 0.00 H new ATOM 968 N ALA A 62 -9.621 -4.912 -5.676 1.00 0.00 N ATOM 969 CA ALA A 62 -10.367 -4.764 -6.922 1.00 0.00 C ATOM 970 C ALA A 62 -9.528 -4.072 -7.993 1.00 0.00 C ATOM 971 O ALA A 62 -9.784 -4.221 -9.189 1.00 0.00 O ATOM 972 CB ALA A 62 -11.655 -3.994 -6.681 1.00 0.00 C ATOM 0 H ALA A 62 -9.972 -4.339 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.615 -5.762 -7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.199 -3.892 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.271 -4.532 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.419 -3.004 -6.289 1.00 0.00 H new ATOM 978 N LEU A 63 -8.531 -3.308 -7.563 1.00 0.00 N ATOM 979 CA LEU A 63 -7.604 -2.672 -8.493 1.00 0.00 C ATOM 980 C LEU A 63 -6.713 -3.720 -9.150 1.00 0.00 C ATOM 981 O LEU A 63 -6.144 -3.486 -10.217 1.00 0.00 O ATOM 982 CB LEU A 63 -6.740 -1.633 -7.771 1.00 0.00 C ATOM 983 CG LEU A 63 -7.500 -0.436 -7.198 1.00 0.00 C ATOM 984 CD1 LEU A 63 -6.548 0.496 -6.464 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.231 0.313 -8.303 1.00 0.00 C ATOM 0 H LEU A 63 -8.343 -3.114 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.187 -2.166 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.209 -2.128 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.986 -1.265 -8.467 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.239 -0.806 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.105 1.343 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.069 -0.043 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.787 0.858 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.766 1.161 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.510 0.672 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.941 -0.357 -8.788 1.00 0.00 H new ATOM 997 N ASN A 64 -6.622 -4.881 -8.503 1.00 0.00 N ATOM 998 CA ASN A 64 -5.804 -5.998 -8.978 1.00 0.00 C ATOM 999 C ASN A 64 -4.347 -5.590 -9.178 1.00 0.00 C ATOM 1000 O ASN A 64 -3.876 -5.463 -10.310 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.371 -6.593 -10.274 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.617 -7.425 -10.040 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.546 -8.644 -9.870 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -8.769 -6.776 -10.022 1.00 0.00 N ATOM 0 H ASN A 64 -7.115 -5.075 -7.631 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.835 -6.763 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.603 -5.786 -10.968 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.610 -7.212 -10.748 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.639 -7.285 -9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.788 -5.766 -10.167 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.622 -5.342 -8.080 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.194 -5.070 -8.125 1.00 0.00 C ATOM 1013 C PRO A 65 -1.382 -6.361 -8.164 1.00 0.00 C ATOM 1014 O PRO A 65 -1.912 -7.448 -7.921 1.00 0.00 O ATOM 1015 CB PRO A 65 -1.924 -4.307 -6.816 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.230 -4.251 -6.082 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.125 -5.281 -6.708 1.00 0.00 C ATOM 0 HA PRO A 65 -1.909 -4.511 -9.016 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.165 -4.814 -6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.550 -3.304 -7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.086 -4.457 -5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.673 -3.258 -6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.049 -6.245 -6.204 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.173 -4.984 -6.672 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.101 -6.240 -8.470 1.00 0.00 N ATOM 1026 CA ALA A 66 0.789 -7.390 -8.479 1.00 0.00 C ATOM 1027 C ALA A 66 1.393 -7.588 -7.097 1.00 0.00 C ATOM 1028 O ALA A 66 1.651 -8.711 -6.666 1.00 0.00 O ATOM 1029 CB ALA A 66 1.883 -7.207 -9.520 1.00 0.00 C ATOM 0 H ALA A 66 0.346 -5.357 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 66 0.215 -8.279 -8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.540 -8.076 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.432 -7.100 -10.507 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.461 -6.313 -9.287 1.00 0.00 H new ATOM 1035 N VAL A 67 1.607 -6.480 -6.403 1.00 0.00 N ATOM 1036 CA VAL A 67 2.143 -6.514 -5.052 1.00 0.00 C ATOM 1037 C VAL A 67 1.602 -5.330 -4.252 1.00 0.00 C ATOM 1038 O VAL A 67 1.340 -4.267 -4.812 1.00 0.00 O ATOM 1039 CB VAL A 67 3.693 -6.508 -5.066 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.232 -5.295 -5.808 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.257 -6.571 -3.654 1.00 0.00 C ATOM 0 H VAL A 67 1.416 -5.542 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 67 1.823 -7.440 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 67 4.019 -7.401 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.322 -5.319 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.875 -5.310 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.886 -4.385 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.346 -6.565 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.912 -5.708 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.918 -7.485 -3.167 1.00 0.00 H new ATOM 1051 N ILE A 68 1.394 -5.527 -2.959 1.00 0.00 N ATOM 1052 CA ILE A 68 0.865 -4.478 -2.104 1.00 0.00 C ATOM 1053 C ILE A 68 1.814 -4.203 -0.942 1.00 0.00 C ATOM 1054 O ILE A 68 2.242 -5.123 -0.241 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.533 -4.844 -1.547 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.503 -5.156 -2.692 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -1.080 -3.711 -0.686 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.875 -5.597 -2.226 1.00 0.00 C ATOM 0 H ILE A 68 1.584 -6.407 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 68 0.769 -3.582 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.431 -5.734 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.609 -4.270 -3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.073 -5.938 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.063 -3.987 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.404 -3.529 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.165 -2.806 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.506 -5.800 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.782 -6.502 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.326 -4.807 -1.625 1.00 0.00 H new ATOM 1070 N LEU A 69 2.144 -2.936 -0.751 1.00 0.00 N ATOM 1071 CA LEU A 69 2.990 -2.521 0.354 1.00 0.00 C ATOM 1072 C LEU A 69 2.154 -1.778 1.382 1.00 0.00 C ATOM 1073 O LEU A 69 1.539 -0.757 1.071 1.00 0.00 O ATOM 1074 CB LEU A 69 4.128 -1.623 -0.139 1.00 0.00 C ATOM 1075 CG LEU A 69 5.129 -2.291 -1.081 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.170 -1.285 -1.546 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.799 -3.473 -0.399 1.00 0.00 C ATOM 0 H LEU A 69 1.835 -2.172 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 69 3.428 -3.409 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.694 -0.762 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.669 -1.242 0.727 1.00 0.00 H new ATOM 0 HG LEU A 69 4.589 -2.660 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.876 -1.775 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.677 -0.468 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.705 -0.889 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.508 -3.935 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.327 -3.129 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.043 -4.204 -0.112 1.00 0.00 H new ATOM 1089 N LEU A 70 2.115 -2.298 2.595 1.00 0.00 N ATOM 1090 CA LEU A 70 1.331 -1.688 3.655 1.00 0.00 C ATOM 1091 C LEU A 70 2.244 -0.955 4.626 1.00 0.00 C ATOM 1092 O LEU A 70 3.080 -1.570 5.286 1.00 0.00 O ATOM 1093 CB LEU A 70 0.513 -2.750 4.397 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.407 -2.215 5.498 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.445 -1.264 4.919 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -1.085 -3.364 6.228 1.00 0.00 C ATOM 0 H LEU A 70 2.617 -3.142 2.872 1.00 0.00 H new ATOM 0 HA LEU A 70 0.642 -0.971 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.093 -3.291 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.200 -3.471 4.839 1.00 0.00 H new ATOM 0 HG LEU A 70 0.201 -1.661 6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.088 -0.896 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.942 -0.423 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.050 -1.791 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.735 -2.967 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.678 -3.944 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.328 -4.006 6.679 1.00 0.00 H new ATOM 1108 N GLY A 71 2.089 0.358 4.695 1.00 0.00 N ATOM 1109 CA GLY A 71 2.886 1.153 5.603 1.00 0.00 C ATOM 1110 C GLY A 71 2.090 1.584 6.816 1.00 0.00 C ATOM 1111 O GLY A 71 1.273 2.502 6.737 1.00 0.00 O ATOM 0 H GLY A 71 1.422 0.889 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.755 0.578 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.261 2.034 5.082 1.00 0.00 H new ATOM 1115 N THR A 72 2.312 0.912 7.934 1.00 0.00 N ATOM 1116 CA THR A 72 1.605 1.230 9.161 1.00 0.00 C ATOM 1117 C THR A 72 2.357 2.284 9.972 1.00 0.00 C ATOM 1118 O THR A 72 2.956 1.989 11.009 1.00 0.00 O ATOM 1119 CB THR A 72 1.376 -0.035 10.013 1.00 0.00 C ATOM 1120 OG1 THR A 72 2.590 -0.798 10.104 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.275 -0.898 9.413 1.00 0.00 C ATOM 0 H THR A 72 2.977 0.143 8.016 1.00 0.00 H new ATOM 0 HA THR A 72 0.634 1.639 8.883 1.00 0.00 H new ATOM 0 HB THR A 72 1.071 0.279 11.011 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.304 -0.234 10.468 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.131 -1.785 10.030 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.653 -0.328 9.374 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.558 -1.200 8.405 1.00 0.00 H new ATOM 1129 N GLY A 73 2.337 3.517 9.478 1.00 0.00 N ATOM 1130 CA GLY A 73 3.047 4.591 10.135 1.00 0.00 C ATOM 1131 C GLY A 73 4.544 4.356 10.167 1.00 0.00 C ATOM 1132 O GLY A 73 5.147 3.973 9.161 1.00 0.00 O ATOM 0 H GLY A 73 1.839 3.789 8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.840 5.529 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.676 4.698 11.154 1.00 0.00 H new ATOM 1136 N GLU A 74 5.144 4.585 11.326 1.00 0.00 N ATOM 1137 CA GLU A 74 6.576 4.384 11.503 1.00 0.00 C ATOM 1138 C GLU A 74 6.808 3.083 12.264 1.00 0.00 C ATOM 1139 O GLU A 74 7.887 2.829 12.801 1.00 0.00 O ATOM 1140 CB GLU A 74 7.182 5.571 12.263 1.00 0.00 C ATOM 1141 CG GLU A 74 8.697 5.670 12.154 1.00 0.00 C ATOM 1142 CD GLU A 74 9.165 5.929 10.734 1.00 0.00 C ATOM 1143 OE1 GLU A 74 9.264 7.115 10.348 1.00 0.00 O ATOM 1144 OE2 GLU A 74 9.431 4.952 10.005 1.00 0.00 O ATOM 0 H GLU A 74 4.659 4.912 12.162 1.00 0.00 H new ATOM 0 HA GLU A 74 7.062 4.319 10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.740 6.494 11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.908 5.493 13.315 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.052 6.472 12.801 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.145 4.745 12.517 1.00 0.00 H new ATOM 1151 N ARG A 75 5.777 2.251 12.291 1.00 0.00 N ATOM 1152 CA ARG A 75 5.815 0.995 13.018 1.00 0.00 C ATOM 1153 C ARG A 75 5.491 -0.152 12.078 1.00 0.00 C ATOM 1154 O ARG A 75 5.000 0.066 10.972 1.00 0.00 O ATOM 1155 CB ARG A 75 4.797 1.012 14.163 1.00 0.00 C ATOM 1156 CG ARG A 75 4.988 2.155 15.146 1.00 0.00 C ATOM 1157 CD ARG A 75 6.286 2.020 15.922 1.00 0.00 C ATOM 1158 NE ARG A 75 6.259 0.894 16.856 1.00 0.00 N ATOM 1159 CZ ARG A 75 6.823 0.925 18.064 1.00 0.00 C ATOM 1160 NH1 ARG A 75 7.481 2.010 18.460 1.00 0.00 N ATOM 1161 NH2 ARG A 75 6.735 -0.128 18.869 1.00 0.00 N ATOM 0 H ARG A 75 4.895 2.428 11.811 1.00 0.00 H new ATOM 0 HA ARG A 75 6.815 0.862 13.430 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.794 1.073 13.742 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.859 0.068 14.704 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.983 3.102 14.607 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.149 2.180 15.842 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.113 1.890 15.224 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.475 2.942 16.472 1.00 0.00 H new ATOM 0 HE ARG A 75 5.783 0.039 16.568 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.554 2.817 17.840 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.913 2.036 19.384 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.235 -0.963 18.564 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.167 -0.102 19.792 1.00 0.00 H new ATOM 1175 N GLN A 76 5.782 -1.365 12.505 1.00 0.00 N ATOM 1176 CA GLN A 76 5.353 -2.537 11.768 1.00 0.00 C ATOM 1177 C GLN A 76 4.192 -3.187 12.501 1.00 0.00 C ATOM 1178 O GLN A 76 4.387 -3.924 13.471 1.00 0.00 O ATOM 1179 CB GLN A 76 6.501 -3.530 11.594 1.00 0.00 C ATOM 1180 CG GLN A 76 6.155 -4.701 10.689 1.00 0.00 C ATOM 1181 CD GLN A 76 7.310 -5.663 10.524 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.129 -5.831 11.429 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.396 -6.292 9.363 1.00 0.00 N ATOM 0 H GLN A 76 6.311 -1.564 13.354 1.00 0.00 H new ATOM 0 HA GLN A 76 5.032 -2.231 10.772 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.365 -3.007 11.184 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.793 -3.911 12.573 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.298 -5.234 11.101 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.857 -4.325 9.711 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.697 -6.125 8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.161 -6.944 9.192 1.00 0.00 H new ATOM 1192 N GLN A 77 2.986 -2.871 12.069 1.00 0.00 N ATOM 1193 CA GLN A 77 1.793 -3.401 12.700 1.00 0.00 C ATOM 1194 C GLN A 77 1.275 -4.593 11.912 1.00 0.00 C ATOM 1195 O GLN A 77 1.207 -4.556 10.682 1.00 0.00 O ATOM 1196 CB GLN A 77 0.723 -2.316 12.812 1.00 0.00 C ATOM 1197 CG GLN A 77 1.198 -1.081 13.564 1.00 0.00 C ATOM 1198 CD GLN A 77 0.118 -0.028 13.712 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -0.042 0.844 12.860 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -0.628 -0.098 14.803 1.00 0.00 N ATOM 0 H GLN A 77 2.807 -2.248 11.281 1.00 0.00 H new ATOM 0 HA GLN A 77 2.043 -3.734 13.707 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.405 -2.024 11.811 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.151 -2.727 13.317 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.548 -1.377 14.553 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.050 -0.649 13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.464 -0.837 15.487 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.367 0.587 14.960 1.00 0.00 H new ATOM 1209 N PHE A 78 0.923 -5.650 12.624 1.00 0.00 N ATOM 1210 CA PHE A 78 0.493 -6.886 11.992 1.00 0.00 C ATOM 1211 C PHE A 78 -0.952 -6.775 11.519 1.00 0.00 C ATOM 1212 O PHE A 78 -1.867 -6.560 12.323 1.00 0.00 O ATOM 1213 CB PHE A 78 0.656 -8.062 12.957 1.00 0.00 C ATOM 1214 CG PHE A 78 2.076 -8.265 13.411 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.988 -8.923 12.603 1.00 0.00 C ATOM 1216 CD2 PHE A 78 2.499 -7.786 14.641 1.00 0.00 C ATOM 1217 CE1 PHE A 78 4.295 -9.104 13.013 1.00 0.00 C ATOM 1218 CE2 PHE A 78 3.805 -7.963 15.056 1.00 0.00 C ATOM 1219 CZ PHE A 78 4.705 -8.622 14.241 1.00 0.00 C ATOM 0 H PHE A 78 0.927 -5.677 13.644 1.00 0.00 H new ATOM 0 HA PHE A 78 1.122 -7.064 11.120 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.023 -7.898 13.829 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.303 -8.972 12.473 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.674 -9.299 11.641 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.800 -7.269 15.282 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.995 -9.622 12.374 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.122 -7.586 16.017 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.727 -8.760 14.563 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.172 -6.917 10.203 1.00 0.00 N ATOM 1230 CA PRO A 79 -2.497 -6.781 9.596 1.00 0.00 C ATOM 1231 C PRO A 79 -3.457 -7.873 10.048 1.00 0.00 C ATOM 1232 O PRO A 79 -3.037 -8.964 10.446 1.00 0.00 O ATOM 1233 CB PRO A 79 -2.232 -6.904 8.088 1.00 0.00 C ATOM 1234 CG PRO A 79 -0.759 -6.731 7.925 1.00 0.00 C ATOM 1235 CD PRO A 79 -0.142 -7.225 9.199 1.00 0.00 C ATOM 0 HA PRO A 79 -2.969 -5.841 9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.557 -7.873 7.711 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.780 -6.145 7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.392 -7.297 7.069 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.506 -5.686 7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.074 -8.293 9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.798 -6.718 9.416 1.00 0.00 H new ATOM 1243 N SER A 80 -4.745 -7.568 9.990 1.00 0.00 N ATOM 1244 CA SER A 80 -5.777 -8.521 10.359 1.00 0.00 C ATOM 1245 C SER A 80 -5.786 -9.704 9.391 1.00 0.00 C ATOM 1246 O SER A 80 -5.571 -9.536 8.186 1.00 0.00 O ATOM 1247 CB SER A 80 -7.137 -7.823 10.368 1.00 0.00 C ATOM 1248 OG SER A 80 -7.111 -6.667 11.194 1.00 0.00 O ATOM 0 H SER A 80 -5.100 -6.661 9.688 1.00 0.00 H new ATOM 0 HA SER A 80 -5.567 -8.905 11.357 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.412 -7.542 9.351 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.901 -8.513 10.726 1.00 0.00 H new ATOM 0 HG SER A 80 -7.991 -6.237 11.182 1.00 0.00 H new ATOM 1254 N THR A 81 -6.043 -10.891 9.926 1.00 0.00 N ATOM 1255 CA THR A 81 -6.017 -12.122 9.148 1.00 0.00 C ATOM 1256 C THR A 81 -7.029 -12.079 8.002 1.00 0.00 C ATOM 1257 O THR A 81 -6.795 -12.646 6.933 1.00 0.00 O ATOM 1258 CB THR A 81 -6.311 -13.332 10.056 1.00 0.00 C ATOM 1259 OG1 THR A 81 -5.502 -13.246 11.238 1.00 0.00 O ATOM 1260 CG2 THR A 81 -6.026 -14.644 9.338 1.00 0.00 C ATOM 0 H THR A 81 -6.275 -11.027 10.910 1.00 0.00 H new ATOM 0 HA THR A 81 -5.020 -12.223 8.719 1.00 0.00 H new ATOM 0 HB THR A 81 -7.368 -13.313 10.322 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.688 -14.013 11.818 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.243 -15.478 10.005 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.654 -14.717 8.450 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.977 -14.678 9.045 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.141 -11.383 8.231 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.188 -11.229 7.220 1.00 0.00 C ATOM 1270 C ASP A 82 -8.615 -10.652 5.932 1.00 0.00 C ATOM 1271 O ASP A 82 -8.930 -11.111 4.835 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.303 -10.308 7.725 1.00 0.00 C ATOM 1273 CG ASP A 82 -10.948 -10.802 9.001 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -11.763 -11.742 8.938 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -10.642 -10.249 10.076 1.00 0.00 O ATOM 0 H ASP A 82 -8.342 -10.913 9.114 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.599 -12.219 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.895 -9.312 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.066 -10.213 6.952 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.764 -9.647 6.078 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.160 -8.980 4.934 1.00 0.00 C ATOM 1282 C VAL A 83 -6.100 -9.871 4.299 1.00 0.00 C ATOM 1283 O VAL A 83 -6.013 -9.981 3.075 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.511 -7.639 5.343 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -5.972 -6.899 4.128 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -7.502 -6.772 6.104 1.00 0.00 C ATOM 0 H VAL A 83 -7.475 -9.274 6.982 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.955 -8.781 4.215 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.671 -7.860 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.521 -5.959 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.220 -7.513 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.788 -6.694 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.025 -5.833 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.366 -6.567 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.827 -7.295 7.004 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.309 -10.516 5.148 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.221 -11.378 4.698 1.00 0.00 C ATOM 1298 C LEU A 84 -4.742 -12.527 3.841 1.00 0.00 C ATOM 1299 O LEU A 84 -4.174 -12.840 2.795 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.455 -11.931 5.904 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.799 -10.875 6.798 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.159 -11.523 8.013 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.763 -10.084 6.015 1.00 0.00 C ATOM 0 H LEU A 84 -5.402 -10.458 6.162 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.548 -10.778 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.141 -12.522 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.682 -12.610 5.544 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.574 -10.190 7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.699 -10.755 8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.921 -12.048 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.397 -12.232 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.307 -9.338 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.993 -10.761 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.245 -9.586 5.174 1.00 0.00 H new ATOM 1315 N ALA A 85 -5.835 -13.141 4.284 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.425 -14.270 3.573 1.00 0.00 C ATOM 1317 C ALA A 85 -6.874 -13.866 2.172 1.00 0.00 C ATOM 1318 O ALA A 85 -6.639 -14.588 1.203 1.00 0.00 O ATOM 1319 CB ALA A 85 -7.597 -14.838 4.361 1.00 0.00 C ATOM 0 H ALA A 85 -6.331 -12.875 5.134 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.661 -15.041 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.027 -15.680 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.249 -15.176 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.355 -14.066 4.493 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.492 -12.693 2.072 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.008 -12.198 0.800 1.00 0.00 C ATOM 1327 C ALA A 86 -6.877 -11.898 -0.183 1.00 0.00 C ATOM 1328 O ALA A 86 -7.050 -11.994 -1.398 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.862 -10.959 1.025 1.00 0.00 C ATOM 0 H ALA A 86 -7.648 -12.065 2.860 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.628 -12.980 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.241 -10.600 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.700 -11.208 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.258 -10.181 1.492 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.715 -11.543 0.348 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.557 -11.264 -0.488 1.00 0.00 C ATOM 1337 C CYS A 87 -3.953 -12.564 -1.010 1.00 0.00 C ATOM 1338 O CYS A 87 -3.499 -12.637 -2.154 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.513 -10.471 0.300 1.00 0.00 C ATOM 1340 SG CYS A 87 -4.134 -8.910 0.968 1.00 0.00 S ATOM 0 H CYS A 87 -5.550 -11.442 1.349 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.879 -10.665 -1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.147 -11.087 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.661 -10.265 -0.348 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.972 -9.153 1.932 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.980 -13.596 -0.176 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.420 -14.891 -0.543 1.00 0.00 C ATOM 1348 C LEU A 88 -4.294 -15.588 -1.581 1.00 0.00 C ATOM 1349 O LEU A 88 -3.789 -16.302 -2.450 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.265 -15.778 0.695 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.312 -15.239 1.765 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.254 -16.183 2.954 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -0.921 -15.028 1.184 1.00 0.00 C ATOM 0 H LEU A 88 -4.384 -13.561 0.760 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.436 -14.721 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.247 -15.922 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.913 -16.759 0.378 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.692 -14.277 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.571 -15.783 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.249 -16.285 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.900 -17.160 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.257 -14.645 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.534 -15.977 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.974 -14.311 0.364 1.00 0.00 H new ATOM 1365 N THR A 89 -5.600 -15.376 -1.492 1.00 0.00 N ATOM 1366 CA THR A 89 -6.537 -15.965 -2.439 1.00 0.00 C ATOM 1367 C THR A 89 -6.497 -15.229 -3.776 1.00 0.00 C ATOM 1368 O THR A 89 -6.694 -15.827 -4.836 1.00 0.00 O ATOM 1369 CB THR A 89 -7.967 -15.954 -1.876 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.259 -14.666 -1.329 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.134 -17.017 -0.801 1.00 0.00 C ATOM 0 H THR A 89 -6.035 -14.799 -0.772 1.00 0.00 H new ATOM 0 HA THR A 89 -6.235 -17.000 -2.602 1.00 0.00 H new ATOM 0 HB THR A 89 -8.660 -16.173 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.616 -14.011 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.154 -16.990 -0.418 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.932 -18.000 -1.227 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.435 -16.824 0.013 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.238 -13.926 -3.726 1.00 0.00 N ATOM 1380 CA ARG A 90 -6.046 -13.143 -4.941 1.00 0.00 C ATOM 1381 C ARG A 90 -4.692 -13.459 -5.572 1.00 0.00 C ATOM 1382 O ARG A 90 -4.501 -13.289 -6.776 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.150 -11.643 -4.651 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.465 -10.998 -5.081 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.644 -11.430 -4.219 1.00 0.00 C ATOM 1386 NE ARG A 90 -9.127 -12.774 -4.542 1.00 0.00 N ATOM 1387 CZ ARG A 90 -9.976 -13.458 -3.772 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -10.445 -12.920 -2.651 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -10.378 -14.669 -4.134 1.00 0.00 N ATOM 0 H ARG A 90 -6.157 -13.392 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.836 -13.414 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.016 -11.484 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.329 -11.132 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.365 -9.914 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.668 -11.255 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.351 -11.398 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.459 -10.717 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.797 -13.211 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.156 -11.981 -2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.094 -13.446 -2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.038 -15.080 -5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.027 -15.189 -3.543 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.760 -13.925 -4.748 1.00 0.00 N ATOM 1404 CA GLY A 91 -2.437 -14.264 -5.234 1.00 0.00 C ATOM 1405 C GLY A 91 -1.512 -13.065 -5.233 1.00 0.00 C ATOM 1406 O GLY A 91 -0.564 -12.997 -6.013 1.00 0.00 O ATOM 0 H GLY A 91 -3.899 -14.074 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.012 -15.051 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.513 -14.663 -6.245 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.786 -12.123 -4.344 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.024 -10.888 -4.275 1.00 0.00 C ATOM 1412 C ILE A 92 -0.088 -10.914 -3.072 1.00 0.00 C ATOM 1413 O ILE A 92 -0.446 -11.422 -2.007 1.00 0.00 O ATOM 1414 CB ILE A 92 -1.959 -9.663 -4.167 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.012 -9.695 -5.277 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.154 -8.373 -4.244 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.070 -8.623 -5.139 1.00 0.00 C ATOM 0 H ILE A 92 -2.536 -12.192 -3.656 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.441 -10.804 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.467 -9.701 -3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.515 -9.582 -6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.495 -10.672 -5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.827 -7.519 -4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.435 -8.344 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.623 -8.332 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.782 -8.707 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.593 -8.748 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.598 -7.641 -5.166 1.00 0.00 H new ATOM 1429 N GLY A 93 1.115 -10.393 -3.253 1.00 0.00 N ATOM 1430 CA GLY A 93 2.055 -10.313 -2.156 1.00 0.00 C ATOM 1431 C GLY A 93 1.839 -9.068 -1.323 1.00 0.00 C ATOM 1432 O GLY A 93 1.954 -7.953 -1.826 1.00 0.00 O ATOM 0 H GLY A 93 1.457 -10.024 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.953 -11.196 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.072 -10.317 -2.547 1.00 0.00 H new ATOM 1436 N LEU A 94 1.507 -9.258 -0.055 1.00 0.00 N ATOM 1437 CA LEU A 94 1.281 -8.141 0.852 1.00 0.00 C ATOM 1438 C LEU A 94 2.420 -8.041 1.857 1.00 0.00 C ATOM 1439 O LEU A 94 2.601 -8.925 2.696 1.00 0.00 O ATOM 1440 CB LEU A 94 -0.058 -8.306 1.580 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.362 -7.247 2.646 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.377 -5.853 2.041 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.691 -7.545 3.322 1.00 0.00 C ATOM 0 H LEU A 94 1.388 -10.177 0.371 1.00 0.00 H new ATOM 0 HA LEU A 94 1.247 -7.221 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.858 -8.293 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.077 -9.288 2.052 1.00 0.00 H new ATOM 0 HG LEU A 94 0.429 -7.282 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.595 -5.121 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.597 -5.637 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.144 -5.800 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.894 -6.785 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.487 -7.539 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.646 -8.525 3.797 1.00 0.00 H new ATOM 1455 N GLU A 95 3.196 -6.973 1.760 1.00 0.00 N ATOM 1456 CA GLU A 95 4.324 -6.773 2.654 1.00 0.00 C ATOM 1457 C GLU A 95 4.043 -5.621 3.614 1.00 0.00 C ATOM 1458 O GLU A 95 3.838 -4.483 3.189 1.00 0.00 O ATOM 1459 CB GLU A 95 5.601 -6.498 1.853 1.00 0.00 C ATOM 1460 CG GLU A 95 5.857 -7.522 0.757 1.00 0.00 C ATOM 1461 CD GLU A 95 7.223 -7.379 0.119 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.616 -6.249 -0.228 1.00 0.00 O ATOM 1463 OE2 GLU A 95 7.919 -8.406 -0.040 1.00 0.00 O ATOM 0 H GLU A 95 3.065 -6.232 1.071 1.00 0.00 H new ATOM 0 HA GLU A 95 4.469 -7.684 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.534 -5.506 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.452 -6.484 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.761 -8.524 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.091 -7.422 -0.012 1.00 0.00 H new ATOM 1470 N ALA A 96 4.012 -5.925 4.904 1.00 0.00 N ATOM 1471 CA ALA A 96 3.790 -4.910 5.922 1.00 0.00 C ATOM 1472 C ALA A 96 5.116 -4.302 6.359 1.00 0.00 C ATOM 1473 O ALA A 96 5.984 -4.997 6.889 1.00 0.00 O ATOM 1474 CB ALA A 96 3.052 -5.500 7.114 1.00 0.00 C ATOM 0 H ALA A 96 4.138 -6.869 5.270 1.00 0.00 H new ATOM 0 HA ALA A 96 3.171 -4.121 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.895 -4.725 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.088 -5.890 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.643 -6.308 7.544 1.00 0.00 H new ATOM 1480 N MET A 97 5.267 -3.008 6.118 1.00 0.00 N ATOM 1481 CA MET A 97 6.501 -2.299 6.429 1.00 0.00 C ATOM 1482 C MET A 97 6.187 -0.941 7.041 1.00 0.00 C ATOM 1483 O MET A 97 5.040 -0.646 7.374 1.00 0.00 O ATOM 1484 CB MET A 97 7.340 -2.086 5.161 1.00 0.00 C ATOM 1485 CG MET A 97 7.785 -3.364 4.472 1.00 0.00 C ATOM 1486 SD MET A 97 8.786 -3.039 3.006 1.00 0.00 S ATOM 1487 CE MET A 97 9.107 -4.708 2.445 1.00 0.00 C ATOM 0 H MET A 97 4.542 -2.422 5.704 1.00 0.00 H new ATOM 0 HA MET A 97 7.065 -2.905 7.138 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.761 -1.491 4.454 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.223 -1.503 5.420 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.358 -3.971 5.173 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.908 -3.946 4.189 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.150 -4.961 2.634 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.462 -5.403 2.983 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.905 -4.778 1.376 1.00 0.00 H new ATOM 1497 N THR A 98 7.213 -0.120 7.182 1.00 0.00 N ATOM 1498 CA THR A 98 7.039 1.253 7.607 1.00 0.00 C ATOM 1499 C THR A 98 6.940 2.152 6.379 1.00 0.00 C ATOM 1500 O THR A 98 7.403 1.772 5.300 1.00 0.00 O ATOM 1501 CB THR A 98 8.211 1.706 8.500 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.461 1.460 7.837 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.193 0.967 9.828 1.00 0.00 C ATOM 0 H THR A 98 8.182 -0.386 7.006 1.00 0.00 H new ATOM 0 HA THR A 98 6.122 1.326 8.191 1.00 0.00 H new ATOM 0 HB THR A 98 8.101 2.774 8.688 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.199 1.753 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.029 1.302 10.442 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.256 1.173 10.346 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.281 -0.105 9.649 1.00 0.00 H new ATOM 1511 N ASN A 99 6.338 3.329 6.528 1.00 0.00 N ATOM 1512 CA ASN A 99 6.155 4.240 5.396 1.00 0.00 C ATOM 1513 C ASN A 99 7.487 4.575 4.735 1.00 0.00 C ATOM 1514 O ASN A 99 7.594 4.592 3.508 1.00 0.00 O ATOM 1515 CB ASN A 99 5.458 5.534 5.829 1.00 0.00 C ATOM 1516 CG ASN A 99 4.003 5.324 6.203 1.00 0.00 C ATOM 1517 OD1 ASN A 99 3.349 4.409 5.712 1.00 0.00 O ATOM 1518 ND2 ASN A 99 3.481 6.188 7.060 1.00 0.00 N ATOM 0 H ASN A 99 5.970 3.675 7.414 1.00 0.00 H new ATOM 0 HA ASN A 99 5.522 3.726 4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.989 5.959 6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.519 6.262 5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.502 6.106 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.058 6.935 7.446 1.00 0.00 H new ATOM 1525 N ALA A 100 8.507 4.813 5.551 1.00 0.00 N ATOM 1526 CA ALA A 100 9.827 5.173 5.045 1.00 0.00 C ATOM 1527 C ALA A 100 10.432 4.046 4.208 1.00 0.00 C ATOM 1528 O ALA A 100 11.016 4.290 3.152 1.00 0.00 O ATOM 1529 CB ALA A 100 10.752 5.531 6.199 1.00 0.00 C ATOM 0 H ALA A 100 8.445 4.763 6.568 1.00 0.00 H new ATOM 0 HA ALA A 100 9.712 6.042 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.734 5.798 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.338 6.376 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.848 4.675 6.868 1.00 0.00 H new ATOM 1535 N ALA A 101 10.274 2.813 4.674 1.00 0.00 N ATOM 1536 CA ALA A 101 10.850 1.660 3.991 1.00 0.00 C ATOM 1537 C ALA A 101 10.065 1.313 2.731 1.00 0.00 C ATOM 1538 O ALA A 101 10.644 0.976 1.697 1.00 0.00 O ATOM 1539 CB ALA A 101 10.903 0.463 4.929 1.00 0.00 C ATOM 0 H ALA A 101 9.753 2.585 5.521 1.00 0.00 H new ATOM 0 HA ALA A 101 11.865 1.920 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.335 -0.390 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.518 0.707 5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.894 0.214 5.258 1.00 0.00 H new ATOM 1545 N ALA A 102 8.744 1.413 2.822 1.00 0.00 N ATOM 1546 CA ALA A 102 7.868 1.071 1.709 1.00 0.00 C ATOM 1547 C ALA A 102 8.055 2.033 0.538 1.00 0.00 C ATOM 1548 O ALA A 102 8.003 1.627 -0.625 1.00 0.00 O ATOM 1549 CB ALA A 102 6.420 1.064 2.172 1.00 0.00 C ATOM 0 H ALA A 102 8.255 1.730 3.659 1.00 0.00 H new ATOM 0 HA ALA A 102 8.133 0.073 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.771 0.808 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.295 0.328 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.153 2.052 2.548 1.00 0.00 H new ATOM 1555 N ALA A 103 8.288 3.304 0.849 1.00 0.00 N ATOM 1556 CA ALA A 103 8.516 4.317 -0.179 1.00 0.00 C ATOM 1557 C ALA A 103 9.769 4.002 -0.987 1.00 0.00 C ATOM 1558 O ALA A 103 9.830 4.258 -2.190 1.00 0.00 O ATOM 1559 CB ALA A 103 8.638 5.697 0.451 1.00 0.00 C ATOM 0 H ALA A 103 8.324 3.659 1.805 1.00 0.00 H new ATOM 0 HA ALA A 103 7.659 4.309 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.808 6.439 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.718 5.936 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.476 5.706 1.148 1.00 0.00 H new ATOM 1565 N ARG A 104 10.756 3.426 -0.316 1.00 0.00 N ATOM 1566 CA ARG A 104 12.025 3.096 -0.947 1.00 0.00 C ATOM 1567 C ARG A 104 11.843 1.950 -1.939 1.00 0.00 C ATOM 1568 O ARG A 104 12.458 1.930 -3.007 1.00 0.00 O ATOM 1569 CB ARG A 104 13.050 2.731 0.128 1.00 0.00 C ATOM 1570 CG ARG A 104 14.473 2.581 -0.387 1.00 0.00 C ATOM 1571 CD ARG A 104 15.463 2.507 0.764 1.00 0.00 C ATOM 1572 NE ARG A 104 15.357 3.678 1.637 1.00 0.00 N ATOM 1573 CZ ARG A 104 15.806 3.725 2.892 1.00 0.00 C ATOM 1574 NH1 ARG A 104 16.476 2.700 3.405 1.00 0.00 N ATOM 1575 NH2 ARG A 104 15.608 4.812 3.628 1.00 0.00 N ATOM 0 H ARG A 104 10.701 3.176 0.671 1.00 0.00 H new ATOM 0 HA ARG A 104 12.390 3.962 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.036 3.498 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.747 1.796 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.550 1.681 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.721 3.424 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.282 1.602 1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 104 16.477 2.436 0.370 1.00 0.00 H new ATOM 0 HE ARG A 104 14.910 4.514 1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.650 1.870 2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 104 16.817 2.743 4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 104 15.112 5.612 3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 104 15.952 4.848 4.588 1.00 0.00 H new ATOM 1589 N THR A 105 10.984 1.006 -1.585 1.00 0.00 N ATOM 1590 CA THR A 105 10.681 -0.122 -2.453 1.00 0.00 C ATOM 1591 C THR A 105 9.816 0.317 -3.634 1.00 0.00 C ATOM 1592 O THR A 105 9.953 -0.198 -4.747 1.00 0.00 O ATOM 1593 CB THR A 105 9.962 -1.232 -1.663 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.707 -1.529 -0.475 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.812 -2.495 -2.497 1.00 0.00 C ATOM 0 H THR A 105 10.482 0.999 -0.697 1.00 0.00 H new ATOM 0 HA THR A 105 11.623 -0.513 -2.838 1.00 0.00 H new ATOM 0 HB THR A 105 8.965 -0.876 -1.402 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.250 -2.234 0.030 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.301 -3.259 -1.911 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.230 -2.273 -3.391 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.798 -2.859 -2.787 1.00 0.00 H new ATOM 1603 N TYR A 106 8.941 1.288 -3.383 1.00 0.00 N ATOM 1604 CA TYR A 106 8.050 1.815 -4.411 1.00 0.00 C ATOM 1605 C TYR A 106 8.832 2.312 -5.624 1.00 0.00 C ATOM 1606 O TYR A 106 8.463 2.027 -6.759 1.00 0.00 O ATOM 1607 CB TYR A 106 7.190 2.950 -3.841 1.00 0.00 C ATOM 1608 CG TYR A 106 6.381 3.687 -4.886 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.230 3.129 -5.428 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.777 4.941 -5.338 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.499 3.797 -6.392 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.050 5.617 -6.299 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.913 5.041 -6.823 1.00 0.00 C ATOM 1614 OH TYR A 106 4.191 5.708 -7.786 1.00 0.00 O ATOM 0 H TYR A 106 8.831 1.728 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 106 7.401 1.002 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.512 2.539 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.837 3.661 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.901 2.157 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.669 5.395 -4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.608 3.348 -6.806 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.371 6.591 -6.638 1.00 0.00 H new ATOM 0 HH TYR A 106 4.617 6.570 -7.976 1.00 0.00 H new ATOM 1624 N ASN A 107 9.921 3.035 -5.376 1.00 0.00 N ATOM 1625 CA ASN A 107 10.718 3.625 -6.454 1.00 0.00 C ATOM 1626 C ASN A 107 11.250 2.550 -7.404 1.00 0.00 C ATOM 1627 O ASN A 107 11.304 2.749 -8.620 1.00 0.00 O ATOM 1628 CB ASN A 107 11.884 4.434 -5.871 1.00 0.00 C ATOM 1629 CG ASN A 107 12.639 5.231 -6.924 1.00 0.00 C ATOM 1630 OD1 ASN A 107 12.294 6.378 -7.218 1.00 0.00 O ATOM 1631 ND2 ASN A 107 13.680 4.642 -7.493 1.00 0.00 N ATOM 0 H ASN A 107 10.274 3.228 -4.439 1.00 0.00 H new ATOM 0 HA ASN A 107 10.069 4.290 -7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.502 5.116 -5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.576 3.756 -5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.224 5.139 -8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 107 13.937 3.692 -7.226 1.00 0.00 H new ATOM 1638 N VAL A 108 11.618 1.404 -6.844 1.00 0.00 N ATOM 1639 CA VAL A 108 12.169 0.306 -7.631 1.00 0.00 C ATOM 1640 C VAL A 108 11.093 -0.330 -8.507 1.00 0.00 C ATOM 1641 O VAL A 108 11.323 -0.642 -9.677 1.00 0.00 O ATOM 1642 CB VAL A 108 12.788 -0.777 -6.721 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.491 -1.844 -7.548 1.00 0.00 C ATOM 1644 CG2 VAL A 108 13.747 -0.151 -5.722 1.00 0.00 C ATOM 0 H VAL A 108 11.545 1.210 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 108 12.950 0.724 -8.266 1.00 0.00 H new ATOM 0 HB VAL A 108 11.982 -1.257 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.919 -2.595 -6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.773 -2.318 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.286 -1.384 -8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.173 -0.930 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.547 0.360 -6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.209 0.566 -5.102 1.00 0.00 H new ATOM 1654 N LEU A 109 9.912 -0.501 -7.940 1.00 0.00 N ATOM 1655 CA LEU A 109 8.809 -1.128 -8.652 1.00 0.00 C ATOM 1656 C LEU A 109 8.174 -0.150 -9.637 1.00 0.00 C ATOM 1657 O LEU A 109 7.671 -0.550 -10.689 1.00 0.00 O ATOM 1658 CB LEU A 109 7.770 -1.643 -7.655 1.00 0.00 C ATOM 1659 CG LEU A 109 8.299 -2.678 -6.658 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.228 -3.047 -5.647 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.793 -3.919 -7.388 1.00 0.00 C ATOM 0 H LEU A 109 9.690 -0.214 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 109 9.197 -1.972 -9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.368 -0.796 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.941 -2.083 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 109 9.138 -2.236 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.625 -3.783 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.922 -2.156 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.367 -3.467 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.165 -4.643 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.972 -4.360 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.596 -3.644 -8.071 1.00 0.00 H new ATOM 1673 N ALA A 110 8.213 1.133 -9.296 1.00 0.00 N ATOM 1674 CA ALA A 110 7.678 2.179 -10.159 1.00 0.00 C ATOM 1675 C ALA A 110 8.489 2.297 -11.441 1.00 0.00 C ATOM 1676 O ALA A 110 7.930 2.433 -12.529 1.00 0.00 O ATOM 1677 CB ALA A 110 7.652 3.512 -9.427 1.00 0.00 C ATOM 0 H ALA A 110 8.612 1.475 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 110 6.657 1.906 -10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.250 4.281 -10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.023 3.428 -8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.665 3.783 -9.129 1.00 0.00 H new ATOM 1683 N SER A 111 9.808 2.233 -11.309 1.00 0.00 N ATOM 1684 CA SER A 111 10.688 2.323 -12.463 1.00 0.00 C ATOM 1685 C SER A 111 10.544 1.087 -13.352 1.00 0.00 C ATOM 1686 O SER A 111 10.653 1.177 -14.576 1.00 0.00 O ATOM 1687 CB SER A 111 12.140 2.518 -12.010 1.00 0.00 C ATOM 1688 OG SER A 111 12.456 1.672 -10.916 1.00 0.00 O ATOM 0 H SER A 111 10.289 2.119 -10.417 1.00 0.00 H new ATOM 0 HA SER A 111 10.399 3.191 -13.056 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.814 2.309 -12.841 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.298 3.558 -11.726 1.00 0.00 H new ATOM 0 HG SER A 111 12.186 2.105 -10.079 1.00 0.00 H new ATOM 1694 N GLU A 112 10.282 -0.062 -12.728 1.00 0.00 N ATOM 1695 CA GLU A 112 10.029 -1.290 -13.474 1.00 0.00 C ATOM 1696 C GLU A 112 8.689 -1.199 -14.201 1.00 0.00 C ATOM 1697 O GLU A 112 8.553 -1.651 -15.341 1.00 0.00 O ATOM 1698 CB GLU A 112 10.014 -2.498 -12.526 1.00 0.00 C ATOM 1699 CG GLU A 112 9.828 -3.826 -13.245 1.00 0.00 C ATOM 1700 CD GLU A 112 9.538 -4.976 -12.302 1.00 0.00 C ATOM 1701 OE1 GLU A 112 10.489 -5.547 -11.731 1.00 0.00 O ATOM 1702 OE2 GLU A 112 8.357 -5.334 -12.143 1.00 0.00 O ATOM 0 H GLU A 112 10.240 -0.166 -11.714 1.00 0.00 H new ATOM 0 HA GLU A 112 10.828 -1.418 -14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.949 -2.524 -11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.211 -2.371 -11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.010 -3.734 -13.959 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.727 -4.051 -13.818 1.00 0.00 H new ATOM 1709 N GLY A 113 7.716 -0.580 -13.552 1.00 0.00 N ATOM 1710 CA GLY A 113 6.388 -0.481 -14.122 1.00 0.00 C ATOM 1711 C GLY A 113 5.459 -1.543 -13.576 1.00 0.00 C ATOM 1712 O GLY A 113 4.488 -1.933 -14.230 1.00 0.00 O ATOM 0 H GLY A 113 7.822 -0.142 -12.637 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.975 0.506 -13.911 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.450 -0.576 -15.206 1.00 0.00 H new ATOM 1716 N ARG A 114 5.759 -2.014 -12.372 1.00 0.00 N ATOM 1717 CA ARG A 114 4.955 -3.038 -11.726 1.00 0.00 C ATOM 1718 C ARG A 114 3.892 -2.387 -10.855 1.00 0.00 C ATOM 1719 O ARG A 114 4.176 -1.441 -10.122 1.00 0.00 O ATOM 1720 CB ARG A 114 5.838 -3.947 -10.866 1.00 0.00 C ATOM 1721 CG ARG A 114 5.124 -5.187 -10.351 1.00 0.00 C ATOM 1722 CD ARG A 114 5.980 -5.956 -9.356 1.00 0.00 C ATOM 1723 NE ARG A 114 7.305 -6.269 -9.890 1.00 0.00 N ATOM 1724 CZ ARG A 114 8.127 -7.180 -9.372 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.739 -7.926 -8.343 1.00 0.00 N ATOM 1726 NH2 ARG A 114 9.338 -7.345 -9.889 1.00 0.00 N ATOM 0 H ARG A 114 6.559 -1.699 -11.822 1.00 0.00 H new ATOM 0 HA ARG A 114 4.474 -3.640 -12.497 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.705 -4.255 -11.451 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.213 -3.376 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.187 -4.897 -9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.870 -5.835 -11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.088 -5.370 -8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.473 -6.881 -9.083 1.00 0.00 H new ATOM 0 HE ARG A 114 7.620 -5.756 -10.713 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.808 -7.802 -7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.373 -8.622 -7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 114 9.637 -6.775 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.970 -8.042 -9.495 1.00 0.00 H new ATOM 1740 N ARG A 115 2.670 -2.886 -10.935 1.00 0.00 N ATOM 1741 CA ARG A 115 1.579 -2.340 -10.147 1.00 0.00 C ATOM 1742 C ARG A 115 1.702 -2.737 -8.682 1.00 0.00 C ATOM 1743 O ARG A 115 1.255 -3.812 -8.261 1.00 0.00 O ATOM 1744 CB ARG A 115 0.223 -2.769 -10.712 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.175 -1.995 -11.957 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.522 -2.445 -12.499 1.00 0.00 C ATOM 1747 NE ARG A 115 -1.980 -1.583 -13.586 1.00 0.00 N ATOM 1748 CZ ARG A 115 -1.692 -1.783 -14.869 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -0.990 -2.847 -15.242 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -2.118 -0.925 -15.787 1.00 0.00 N ATOM 0 H ARG A 115 2.409 -3.667 -11.537 1.00 0.00 H new ATOM 0 HA ARG A 115 1.643 -1.254 -10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.254 -3.833 -10.947 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.542 -2.634 -9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.214 -0.931 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.587 -2.126 -12.725 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.446 -3.472 -12.856 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.258 -2.440 -11.695 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.557 -0.777 -13.346 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.668 -3.517 -14.543 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.772 -2.995 -16.228 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.667 -0.111 -15.509 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.897 -1.079 -16.771 1.00 0.00 H new ATOM 1764 N VAL A 116 2.356 -1.874 -7.924 1.00 0.00 N ATOM 1765 CA VAL A 116 2.431 -2.020 -6.486 1.00 0.00 C ATOM 1766 C VAL A 116 1.451 -1.063 -5.821 1.00 0.00 C ATOM 1767 O VAL A 116 1.411 0.125 -6.141 1.00 0.00 O ATOM 1768 CB VAL A 116 3.865 -1.773 -5.952 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.395 -0.416 -6.390 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.904 -1.897 -4.436 1.00 0.00 C ATOM 0 H VAL A 116 2.847 -1.057 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 116 2.165 -3.048 -6.240 1.00 0.00 H new ATOM 0 HB VAL A 116 4.513 -2.538 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.402 -0.275 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.419 -0.369 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.744 0.370 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.920 -1.720 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.232 -1.161 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.588 -2.899 -4.145 1.00 0.00 H new ATOM 1780 N ALA A 117 0.635 -1.591 -4.933 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.299 -0.774 -4.187 1.00 0.00 C ATOM 1782 C ALA A 117 0.344 -0.310 -2.894 1.00 0.00 C ATOM 1783 O ALA A 117 0.407 -1.056 -1.918 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.583 -1.538 -3.910 1.00 0.00 C ATOM 0 H ALA A 117 0.600 -2.586 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.556 0.101 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.270 -0.904 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.045 -1.827 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.356 -2.432 -3.329 1.00 0.00 H new ATOM 1790 N LEU A 118 0.858 0.906 -2.904 1.00 0.00 N ATOM 1791 CA LEU A 118 1.500 1.468 -1.730 1.00 0.00 C ATOM 1792 C LEU A 118 0.464 2.150 -0.851 1.00 0.00 C ATOM 1793 O LEU A 118 0.053 3.280 -1.116 1.00 0.00 O ATOM 1794 CB LEU A 118 2.590 2.461 -2.151 1.00 0.00 C ATOM 1795 CG LEU A 118 3.339 3.147 -1.007 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.052 2.122 -0.141 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.329 4.159 -1.563 1.00 0.00 C ATOM 0 H LEU A 118 0.843 1.525 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 118 1.967 0.666 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.315 1.935 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.134 3.230 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 118 2.615 3.672 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.578 2.631 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.322 1.431 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.768 1.568 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.857 4.642 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 118 5.047 3.650 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.794 4.912 -2.142 1.00 0.00 H new ATOM 1809 N ALA A 119 0.021 1.441 0.174 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.961 1.970 1.101 1.00 0.00 C ATOM 1811 C ALA A 119 -0.266 2.557 2.318 1.00 0.00 C ATOM 1812 O ALA A 119 0.192 1.828 3.200 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.946 0.885 1.514 1.00 0.00 C ATOM 0 H ALA A 119 0.329 0.492 0.384 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.520 2.763 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.675 1.301 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.462 0.507 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.408 0.070 1.997 1.00 0.00 H new ATOM 1819 N MET A 120 -0.163 3.873 2.347 1.00 0.00 N ATOM 1820 CA MET A 120 0.519 4.558 3.431 1.00 0.00 C ATOM 1821 C MET A 120 -0.464 5.093 4.454 1.00 0.00 C ATOM 1822 O MET A 120 -1.298 5.943 4.140 1.00 0.00 O ATOM 1823 CB MET A 120 1.368 5.713 2.901 1.00 0.00 C ATOM 1824 CG MET A 120 2.743 5.300 2.415 1.00 0.00 C ATOM 1825 SD MET A 120 3.726 6.710 1.873 1.00 0.00 S ATOM 1826 CE MET A 120 5.326 5.944 1.661 1.00 0.00 C ATOM 0 H MET A 120 -0.544 4.491 1.630 1.00 0.00 H new ATOM 0 HA MET A 120 1.166 3.825 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.835 6.195 2.082 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.482 6.457 3.689 1.00 0.00 H new ATOM 0 HG2 MET A 120 3.268 4.780 3.216 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.638 4.594 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.024 6.351 2.393 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.236 4.867 1.805 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.696 6.146 0.656 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.369 4.580 5.670 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.094 5.141 6.794 1.00 0.00 C ATOM 1838 C ILE A 121 -0.167 6.103 7.520 1.00 0.00 C ATOM 1839 O ILE A 121 0.718 5.683 8.274 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.584 4.048 7.770 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.432 3.012 7.025 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.382 4.670 8.910 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.885 1.854 7.891 1.00 0.00 C ATOM 0 H ILE A 121 0.207 3.771 5.903 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.979 5.656 6.421 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.714 3.545 8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.309 3.507 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.857 2.622 6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.719 3.886 9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.752 5.374 9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.246 5.196 8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.480 1.163 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.013 1.333 8.287 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.488 2.231 8.717 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.332 7.388 7.259 1.00 0.00 N ATOM 1856 CA VAL A 122 0.610 8.385 7.735 1.00 0.00 C ATOM 1857 C VAL A 122 0.067 9.163 8.927 1.00 0.00 C ATOM 1858 O VAL A 122 -0.755 10.063 8.772 1.00 0.00 O ATOM 1859 CB VAL A 122 0.987 9.370 6.614 1.00 0.00 C ATOM 1860 CG1 VAL A 122 2.061 10.337 7.082 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.443 8.618 5.373 1.00 0.00 C ATOM 0 H VAL A 122 -1.111 7.766 6.719 1.00 0.00 H new ATOM 0 HA VAL A 122 1.499 7.842 8.055 1.00 0.00 H new ATOM 0 HB VAL A 122 0.100 9.949 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.311 11.023 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.693 10.904 7.937 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.951 9.779 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.705 9.331 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.314 8.009 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.637 7.974 5.021 1.00 0.00 H new ATOM 1871 N GLY A 123 0.528 8.787 10.116 1.00 0.00 N ATOM 1872 CA GLY A 123 0.227 9.538 11.325 1.00 0.00 C ATOM 1873 C GLY A 123 -1.257 9.670 11.621 1.00 0.00 C ATOM 1874 O GLY A 123 -1.681 10.645 12.243 1.00 0.00 O ATOM 0 H GLY A 123 1.112 7.965 10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.713 9.053 12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.659 10.535 11.237 1.00 0.00 H new