USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -0.378 K(o=-0.6,f=-1.5) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.219 X(o=-0.6,f=-0.87) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 114 THR OG1 : rot -85:sc= 0.603 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 162:sc= -0.118 (180deg=-0.615) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 45 MET CE :methyl 156:sc= -0.214 (180deg=-0.857) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.0131 (180deg=-0.161) USER MOD Single : A 48 TYR OH : rot -32:sc= 0.392 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 100:sc= 0.0153 USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.0177 (180deg=-0.239) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.09 K(o=-0.09,f=-0.65) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.348 K(o=-0.35,f=-10!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -82:sc= 0.591 USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.422 USER MOD Single : A 96 THR OG1 : rot 83:sc= 0.327 USER MOD Single : A 98 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.043) USER MOD Single : A 99 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 100 HIS : no HE2:sc= -0.609 X(o=-0.61,f=-1.1) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -164:sc= -0.607 (180deg=-1.21) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 166:sc= -0.254 (180deg=-0.645) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.541 1.727 5.467 1.00 0.00 N ATOM 243 CA ALA A 19 19.440 3.163 5.217 1.00 0.00 C ATOM 244 C ALA A 19 18.295 3.493 4.263 1.00 0.00 C ATOM 245 O ALA A 19 17.407 4.277 4.599 1.00 0.00 O ATOM 246 CB ALA A 19 20.756 3.694 4.669 1.00 0.00 C ATOM 0 HA ALA A 19 19.225 3.651 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.668 4.765 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.551 3.513 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.993 3.185 3.735 1.00 0.00 H new ATOM 252 N GLU A 20 18.321 2.900 3.074 1.00 0.00 N ATOM 253 CA GLU A 20 17.282 3.143 2.079 1.00 0.00 C ATOM 254 C GLU A 20 15.917 2.702 2.596 1.00 0.00 C ATOM 255 O GLU A 20 14.896 3.309 2.271 1.00 0.00 O ATOM 256 CB GLU A 20 17.606 2.409 0.775 1.00 0.00 C ATOM 257 CG GLU A 20 16.647 2.734 -0.360 1.00 0.00 C ATOM 258 CD GLU A 20 16.640 4.207 -0.715 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.463 4.617 -1.560 1.00 0.00 O ATOM 260 OE2 GLU A 20 15.812 4.952 -0.147 1.00 0.00 O ATOM 0 H GLU A 20 19.048 2.249 2.776 1.00 0.00 H new ATOM 0 HA GLU A 20 17.249 4.215 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.620 2.663 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.588 1.335 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.922 2.153 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.640 2.427 -0.078 1.00 0.00 H new ATOM 267 N PHE A 21 15.906 1.645 3.402 1.00 0.00 N ATOM 268 CA PHE A 21 14.665 1.123 3.962 1.00 0.00 C ATOM 269 C PHE A 21 13.946 2.186 4.788 1.00 0.00 C ATOM 270 O PHE A 21 12.782 2.497 4.536 1.00 0.00 O ATOM 271 CB PHE A 21 14.951 -0.108 4.825 1.00 0.00 C ATOM 272 CG PHE A 21 13.714 -0.737 5.405 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.982 -1.661 4.673 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.284 -0.403 6.678 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.844 -2.239 5.204 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.147 -0.978 7.214 1.00 0.00 C ATOM 277 CZ PHE A 21 11.426 -1.896 6.476 1.00 0.00 C ATOM 0 H PHE A 21 16.743 1.133 3.682 1.00 0.00 H new ATOM 0 HA PHE A 21 14.015 0.836 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.477 -0.849 4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.620 0.176 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.305 -1.931 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.843 0.315 7.259 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.282 -2.958 4.626 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.823 -0.710 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.537 -2.345 6.892 1.00 0.00 H new ATOM 287 N ASP A 22 14.647 2.743 5.772 1.00 0.00 N ATOM 288 CA ASP A 22 14.069 3.771 6.633 1.00 0.00 C ATOM 289 C ASP A 22 13.647 4.989 5.817 1.00 0.00 C ATOM 290 O ASP A 22 12.678 5.670 6.155 1.00 0.00 O ATOM 291 CB ASP A 22 15.068 4.185 7.715 1.00 0.00 C ATOM 292 CG ASP A 22 15.419 3.042 8.647 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.505 2.523 9.322 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.608 2.664 8.702 1.00 0.00 O ATOM 0 H ASP A 22 15.613 2.501 5.993 1.00 0.00 H new ATOM 0 HA ASP A 22 13.184 3.352 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.977 4.557 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.650 5.008 8.295 1.00 0.00 H new ATOM 299 N ALA A 23 14.379 5.255 4.739 1.00 0.00 N ATOM 300 CA ALA A 23 14.077 6.389 3.875 1.00 0.00 C ATOM 301 C ALA A 23 12.691 6.246 3.256 1.00 0.00 C ATOM 302 O ALA A 23 11.897 7.188 3.263 1.00 0.00 O ATOM 303 CB ALA A 23 15.133 6.521 2.787 1.00 0.00 C ATOM 0 H ALA A 23 15.183 4.701 4.444 1.00 0.00 H new ATOM 0 HA ALA A 23 14.086 7.294 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.894 7.372 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.110 6.674 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.152 5.612 2.186 1.00 0.00 H new ATOM 309 N VAL A 24 12.406 5.061 2.727 1.00 0.00 N ATOM 310 CA VAL A 24 11.116 4.794 2.103 1.00 0.00 C ATOM 311 C VAL A 24 9.980 4.925 3.113 1.00 0.00 C ATOM 312 O VAL A 24 8.924 5.474 2.799 1.00 0.00 O ATOM 313 CB VAL A 24 11.076 3.388 1.473 1.00 0.00 C ATOM 314 CG1 VAL A 24 9.745 3.148 0.775 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.233 3.208 0.502 1.00 0.00 C ATOM 0 H VAL A 24 13.051 4.271 2.718 1.00 0.00 H new ATOM 0 HA VAL A 24 10.984 5.537 1.316 1.00 0.00 H new ATOM 0 HB VAL A 24 11.178 2.651 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.738 2.150 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.934 3.232 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.608 3.890 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.190 2.210 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.163 3.953 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.177 3.331 1.033 1.00 0.00 H new ATOM 325 N VAL A 25 10.204 4.423 4.325 1.00 0.00 N ATOM 326 CA VAL A 25 9.195 4.489 5.378 1.00 0.00 C ATOM 327 C VAL A 25 8.748 5.928 5.615 1.00 0.00 C ATOM 328 O VAL A 25 7.558 6.198 5.781 1.00 0.00 O ATOM 329 CB VAL A 25 9.718 3.896 6.703 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.659 3.992 7.793 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.153 2.453 6.503 1.00 0.00 C ATOM 0 H VAL A 25 11.073 3.967 4.602 1.00 0.00 H new ATOM 0 HA VAL A 25 8.345 3.896 5.040 1.00 0.00 H new ATOM 0 HB VAL A 25 10.584 4.477 7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.050 3.568 8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.397 5.038 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.771 3.439 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.519 2.049 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.304 1.861 6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.948 2.412 5.758 1.00 0.00 H new ATOM 341 N GLY A 26 9.708 6.846 5.630 1.00 0.00 N ATOM 342 CA GLY A 26 9.390 8.246 5.841 1.00 0.00 C ATOM 343 C GLY A 26 8.540 8.820 4.723 1.00 0.00 C ATOM 344 O GLY A 26 7.556 9.517 4.977 1.00 0.00 O ATOM 0 H GLY A 26 10.700 6.646 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.863 8.357 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.314 8.818 5.921 1.00 0.00 H new ATOM 348 N TYR A 27 8.919 8.525 3.483 1.00 0.00 N ATOM 349 CA TYR A 27 8.185 9.018 2.323 1.00 0.00 C ATOM 350 C TYR A 27 6.763 8.467 2.297 1.00 0.00 C ATOM 351 O TYR A 27 5.832 9.151 1.878 1.00 0.00 O ATOM 352 CB TYR A 27 8.913 8.644 1.029 1.00 0.00 C ATOM 353 CG TYR A 27 10.249 9.336 0.857 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.353 10.719 0.945 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.404 8.606 0.602 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.570 11.355 0.786 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.624 9.235 0.441 1.00 0.00 C ATOM 358 CZ TYR A 27 12.702 10.609 0.535 1.00 0.00 C ATOM 359 OH TYR A 27 13.914 11.241 0.376 1.00 0.00 O ATOM 0 H TYR A 27 9.729 7.948 3.256 1.00 0.00 H new ATOM 0 HA TYR A 27 8.132 10.104 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.068 7.565 1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.275 8.890 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.468 11.307 1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.347 7.530 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.634 12.431 0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.512 8.653 0.243 1.00 0.00 H new ATOM 0 HH TYR A 27 14.611 10.574 0.207 1.00 0.00 H new ATOM 369 N LEU A 28 6.603 7.227 2.753 1.00 0.00 N ATOM 370 CA LEU A 28 5.293 6.585 2.776 1.00 0.00 C ATOM 371 C LEU A 28 4.330 7.338 3.688 1.00 0.00 C ATOM 372 O LEU A 28 3.199 7.631 3.300 1.00 0.00 O ATOM 373 CB LEU A 28 5.420 5.132 3.239 1.00 0.00 C ATOM 374 CG LEU A 28 6.120 4.191 2.254 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.314 2.818 2.877 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.326 4.082 0.961 1.00 0.00 C ATOM 0 H LEU A 28 7.363 6.648 3.111 1.00 0.00 H new ATOM 0 HA LEU A 28 4.893 6.603 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.965 5.115 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.422 4.743 3.441 1.00 0.00 H new ATOM 0 HG LEU A 28 7.100 4.606 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.813 2.162 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.925 2.909 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.343 2.397 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.840 3.409 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.332 3.691 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.237 5.068 0.504 1.00 0.00 H new ATOM 388 N GLU A 29 4.783 7.647 4.899 1.00 0.00 N ATOM 389 CA GLU A 29 3.959 8.366 5.862 1.00 0.00 C ATOM 390 C GLU A 29 3.522 9.713 5.298 1.00 0.00 C ATOM 391 O GLU A 29 2.380 10.137 5.488 1.00 0.00 O ATOM 392 CB GLU A 29 4.720 8.564 7.174 1.00 0.00 C ATOM 393 CG GLU A 29 4.991 7.268 7.918 1.00 0.00 C ATOM 394 CD GLU A 29 5.711 7.491 9.233 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.029 7.722 10.252 1.00 0.00 O ATOM 396 OE2 GLU A 29 6.959 7.434 9.243 1.00 0.00 O ATOM 0 H GLU A 29 5.716 7.410 5.236 1.00 0.00 H new ATOM 0 HA GLU A 29 3.068 7.770 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.668 9.058 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.149 9.232 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.047 6.757 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.589 6.610 7.288 1.00 0.00 H new ATOM 403 N ASP A 30 4.437 10.381 4.603 1.00 0.00 N ATOM 404 CA ASP A 30 4.146 11.679 4.005 1.00 0.00 C ATOM 405 C ASP A 30 3.024 11.560 2.978 1.00 0.00 C ATOM 406 O ASP A 30 2.224 12.480 2.807 1.00 0.00 O ATOM 407 CB ASP A 30 5.401 12.252 3.342 1.00 0.00 C ATOM 408 CG ASP A 30 5.174 13.640 2.776 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.344 14.623 3.527 1.00 0.00 O ATOM 410 OD2 ASP A 30 4.827 13.743 1.581 1.00 0.00 O ATOM 0 H ASP A 30 5.386 10.045 4.440 1.00 0.00 H new ATOM 0 HA ASP A 30 3.823 12.354 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.210 12.288 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.723 11.585 2.542 1.00 0.00 H new ATOM 415 N ILE A 31 2.973 10.418 2.297 1.00 0.00 N ATOM 416 CA ILE A 31 1.948 10.172 1.287 1.00 0.00 C ATOM 417 C ILE A 31 0.599 9.879 1.936 1.00 0.00 C ATOM 418 O ILE A 31 -0.441 10.324 1.452 1.00 0.00 O ATOM 419 CB ILE A 31 2.337 8.996 0.368 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.644 9.303 -0.366 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.222 8.706 -0.629 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.228 8.110 -1.091 1.00 0.00 C ATOM 0 H ILE A 31 3.630 9.648 2.426 1.00 0.00 H new ATOM 0 HA ILE A 31 1.867 11.078 0.686 1.00 0.00 H new ATOM 0 HB ILE A 31 2.486 8.110 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.468 10.103 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.375 9.675 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.514 7.873 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.310 8.447 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.043 9.589 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.153 8.403 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.437 7.315 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.515 7.751 -1.834 1.00 0.00 H new ATOM 434 N ILE A 32 0.621 9.127 3.032 1.00 0.00 N ATOM 435 CA ILE A 32 -0.604 8.777 3.744 1.00 0.00 C ATOM 436 C ILE A 32 -1.322 10.026 4.245 1.00 0.00 C ATOM 437 O ILE A 32 -2.552 10.075 4.281 1.00 0.00 O ATOM 438 CB ILE A 32 -0.314 7.846 4.940 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.389 6.573 4.463 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.603 7.501 5.673 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.920 5.716 5.590 1.00 0.00 C ATOM 0 H ILE A 32 1.473 8.748 3.446 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.245 8.253 3.035 1.00 0.00 H new ATOM 0 HB ILE A 32 0.345 8.368 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.309 5.984 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.215 6.848 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.379 6.844 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.068 8.415 6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.286 6.996 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.405 4.832 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.643 6.288 6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.096 5.410 6.234 1.00 0.00 H new ATOM 453 N MET A 33 -0.546 11.034 4.627 1.00 0.00 N ATOM 454 CA MET A 33 -1.105 12.283 5.128 1.00 0.00 C ATOM 455 C MET A 33 -1.125 13.349 4.037 1.00 0.00 C ATOM 456 O MET A 33 -1.279 14.537 4.319 1.00 0.00 O ATOM 457 CB MET A 33 -0.298 12.777 6.330 1.00 0.00 C ATOM 458 CG MET A 33 -0.295 11.802 7.496 1.00 0.00 C ATOM 459 SD MET A 33 0.673 12.392 8.899 1.00 0.00 S ATOM 460 CE MET A 33 -0.216 13.887 9.323 1.00 0.00 C ATOM 0 H MET A 33 0.473 11.010 4.599 1.00 0.00 H new ATOM 0 HA MET A 33 -2.132 12.095 5.441 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.730 12.961 6.017 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.705 13.731 6.665 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.321 11.624 7.818 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.105 10.845 7.162 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.047 14.192 10.336 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.052 14.680 8.625 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.289 13.701 9.267 1.00 0.00 H new ATOM 470 N ASP A 34 -0.971 12.915 2.791 1.00 0.00 N ATOM 471 CA ASP A 34 -0.975 13.830 1.657 1.00 0.00 C ATOM 472 C ASP A 34 -2.403 14.113 1.199 1.00 0.00 C ATOM 473 O ASP A 34 -3.207 13.194 1.040 1.00 0.00 O ATOM 474 CB ASP A 34 -0.155 13.251 0.503 1.00 0.00 C ATOM 475 CG ASP A 34 -0.011 14.225 -0.649 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.835 15.138 -0.553 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.745 14.076 -1.647 1.00 0.00 O ATOM 0 H ASP A 34 -0.842 11.935 2.541 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.521 14.769 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.834 12.974 0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.630 12.337 0.146 1.00 0.00 H new ATOM 482 N ASP A 35 -2.710 15.390 0.988 1.00 0.00 N ATOM 483 CA ASP A 35 -4.044 15.800 0.560 1.00 0.00 C ATOM 484 C ASP A 35 -4.459 15.092 -0.727 1.00 0.00 C ATOM 485 O ASP A 35 -5.547 14.522 -0.807 1.00 0.00 O ATOM 486 CB ASP A 35 -4.093 17.316 0.359 1.00 0.00 C ATOM 487 CG ASP A 35 -3.669 18.077 1.600 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.522 18.289 2.488 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.484 18.463 1.684 1.00 0.00 O ATOM 0 H ASP A 35 -2.052 16.160 1.107 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.746 15.517 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.444 17.591 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.106 17.611 0.083 1.00 0.00 H new ATOM 494 N GLU A 36 -3.588 15.133 -1.732 1.00 0.00 N ATOM 495 CA GLU A 36 -3.870 14.497 -3.017 1.00 0.00 C ATOM 496 C GLU A 36 -4.156 13.007 -2.842 1.00 0.00 C ATOM 497 O GLU A 36 -4.915 12.417 -3.611 1.00 0.00 O ATOM 498 CB GLU A 36 -2.694 14.697 -3.978 1.00 0.00 C ATOM 499 CG GLU A 36 -2.913 14.084 -5.352 1.00 0.00 C ATOM 500 CD GLU A 36 -4.100 14.688 -6.077 1.00 0.00 C ATOM 501 OE1 GLU A 36 -5.229 14.189 -5.887 1.00 0.00 O ATOM 502 OE2 GLU A 36 -3.901 15.659 -6.836 1.00 0.00 O ATOM 0 H GLU A 36 -2.682 15.599 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.758 14.968 -3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.508 15.765 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.797 14.263 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.015 14.222 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.064 13.010 -5.247 1.00 0.00 H new ATOM 509 N PHE A 37 -3.549 12.407 -1.823 1.00 0.00 N ATOM 510 CA PHE A 37 -3.739 10.987 -1.550 1.00 0.00 C ATOM 511 C PHE A 37 -5.120 10.725 -0.957 1.00 0.00 C ATOM 512 O PHE A 37 -5.775 9.739 -1.296 1.00 0.00 O ATOM 513 CB PHE A 37 -2.654 10.479 -0.597 1.00 0.00 C ATOM 514 CG PHE A 37 -2.828 9.042 -0.198 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.554 8.021 -1.094 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.269 8.711 1.074 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.715 6.698 -0.730 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.432 7.390 1.444 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.156 6.382 0.540 1.00 0.00 C ATOM 0 H PHE A 37 -2.922 12.882 -1.173 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.663 10.448 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.680 10.600 -1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.651 11.098 0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.210 8.262 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.488 9.495 1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.496 5.912 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.775 7.145 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.285 5.349 0.826 1.00 0.00 H new ATOM 529 N GLN A 38 -5.554 11.611 -0.069 1.00 0.00 N ATOM 530 CA GLN A 38 -6.856 11.475 0.574 1.00 0.00 C ATOM 531 C GLN A 38 -7.985 11.652 -0.437 1.00 0.00 C ATOM 532 O GLN A 38 -9.030 11.010 -0.333 1.00 0.00 O ATOM 533 CB GLN A 38 -7.000 12.499 1.699 1.00 0.00 C ATOM 534 CG GLN A 38 -5.951 12.357 2.791 1.00 0.00 C ATOM 535 CD GLN A 38 -6.150 13.347 3.924 1.00 0.00 C ATOM 536 OE1 GLN A 38 -7.273 13.759 4.213 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.056 13.730 4.573 1.00 0.00 N ATOM 0 H GLN A 38 -5.023 12.432 0.223 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.923 10.471 0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.938 13.502 1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.990 12.401 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.982 11.343 3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.960 12.499 2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.145 13.362 4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.127 14.392 5.346 1.00 0.00 H new ATOM 546 N LEU A 39 -7.766 12.527 -1.414 1.00 0.00 N ATOM 547 CA LEU A 39 -8.764 12.790 -2.446 1.00 0.00 C ATOM 548 C LEU A 39 -8.943 11.565 -3.338 1.00 0.00 C ATOM 549 O LEU A 39 -10.067 11.161 -3.636 1.00 0.00 O ATOM 550 CB LEU A 39 -8.342 14.001 -3.288 1.00 0.00 C ATOM 551 CG LEU A 39 -9.486 14.817 -3.907 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.285 13.978 -4.894 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.394 15.375 -2.821 1.00 0.00 C ATOM 0 H LEU A 39 -6.906 13.066 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.716 13.009 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.745 14.664 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.694 13.652 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.047 15.652 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.089 14.581 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.629 13.635 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.710 13.117 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.198 15.950 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.818 14.553 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.816 16.022 -2.161 1.00 0.00 H new ATOM 565 N LEU A 40 -7.827 10.977 -3.754 1.00 0.00 N ATOM 566 CA LEU A 40 -7.850 9.798 -4.615 1.00 0.00 C ATOM 567 C LEU A 40 -8.507 8.608 -3.916 1.00 0.00 C ATOM 568 O LEU A 40 -9.413 7.979 -4.461 1.00 0.00 O ATOM 569 CB LEU A 40 -6.424 9.428 -5.032 1.00 0.00 C ATOM 570 CG LEU A 40 -6.307 8.199 -5.936 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.715 8.538 -7.360 1.00 0.00 C ATOM 572 CD2 LEU A 40 -4.890 7.647 -5.903 1.00 0.00 C ATOM 0 H LEU A 40 -6.891 11.298 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.440 10.041 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.980 10.281 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.833 9.255 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.985 7.432 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.624 7.650 -7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.748 8.885 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.065 9.323 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.825 6.773 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.194 8.410 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.634 7.361 -4.883 1.00 0.00 H new ATOM 584 N GLN A 41 -8.043 8.309 -2.706 1.00 0.00 N ATOM 585 CA GLN A 41 -8.565 7.184 -1.935 1.00 0.00 C ATOM 586 C GLN A 41 -10.058 7.331 -1.650 1.00 0.00 C ATOM 587 O GLN A 41 -10.838 6.418 -1.911 1.00 0.00 O ATOM 588 CB GLN A 41 -7.798 7.048 -0.617 1.00 0.00 C ATOM 589 CG GLN A 41 -8.230 5.856 0.223 1.00 0.00 C ATOM 590 CD GLN A 41 -7.482 5.767 1.539 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.068 6.782 2.101 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.306 4.549 2.042 1.00 0.00 N ATOM 0 H GLN A 41 -7.304 8.832 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.427 6.285 -2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.733 6.961 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.931 7.959 -0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.300 5.925 0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.069 4.939 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.665 3.735 1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.812 4.429 2.926 1.00 0.00 H new ATOM 601 N ARG A 42 -10.450 8.482 -1.116 1.00 0.00 N ATOM 602 CA ARG A 42 -11.848 8.738 -0.778 1.00 0.00 C ATOM 603 C ARG A 42 -12.745 8.746 -2.014 1.00 0.00 C ATOM 604 O ARG A 42 -13.875 8.256 -1.973 1.00 0.00 O ATOM 605 CB ARG A 42 -11.976 10.073 -0.043 1.00 0.00 C ATOM 606 CG ARG A 42 -13.360 10.320 0.534 1.00 0.00 C ATOM 607 CD ARG A 42 -13.477 11.712 1.132 1.00 0.00 C ATOM 608 NE ARG A 42 -13.368 12.756 0.116 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.496 14.054 0.374 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.726 14.468 1.614 1.00 0.00 N ATOM 611 NH2 ARG A 42 -13.394 14.942 -0.607 1.00 0.00 N ATOM 0 H ARG A 42 -9.819 9.255 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.178 7.926 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.244 10.105 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.729 10.882 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.108 10.196 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.573 9.575 1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.433 11.806 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.697 11.852 1.880 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.183 12.473 -0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.805 13.790 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.824 15.464 1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.217 14.629 -1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.493 15.937 -0.406 1.00 0.00 H new ATOM 625 N ASN A 43 -12.242 9.305 -3.110 1.00 0.00 N ATOM 626 CA ASN A 43 -13.010 9.391 -4.351 1.00 0.00 C ATOM 627 C ASN A 43 -13.429 8.011 -4.853 1.00 0.00 C ATOM 628 O ASN A 43 -14.595 7.792 -5.185 1.00 0.00 O ATOM 629 CB ASN A 43 -12.201 10.111 -5.430 1.00 0.00 C ATOM 630 CG ASN A 43 -12.979 10.279 -6.721 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.206 10.388 -6.710 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.268 10.300 -7.842 1.00 0.00 N ATOM 0 H ASN A 43 -11.306 9.706 -3.166 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.914 9.961 -4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.899 11.091 -5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.288 9.551 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.737 10.410 -8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.253 10.206 -7.804 1.00 0.00 H new ATOM 639 N PHE A 44 -12.478 7.084 -4.908 1.00 0.00 N ATOM 640 CA PHE A 44 -12.760 5.734 -5.386 1.00 0.00 C ATOM 641 C PHE A 44 -13.476 4.899 -4.328 1.00 0.00 C ATOM 642 O PHE A 44 -14.396 4.144 -4.646 1.00 0.00 O ATOM 643 CB PHE A 44 -11.469 5.045 -5.824 1.00 0.00 C ATOM 644 CG PHE A 44 -11.005 5.476 -7.185 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.304 6.661 -7.349 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.278 4.704 -8.304 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.883 7.066 -8.601 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.860 5.105 -9.558 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.162 6.288 -9.707 1.00 0.00 C ATOM 0 H PHE A 44 -11.510 7.241 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.426 5.820 -6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.686 5.256 -5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.622 3.966 -5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.084 7.275 -6.488 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.824 3.779 -8.194 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.336 7.990 -8.714 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.079 4.494 -10.421 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.835 6.604 -10.687 1.00 0.00 H new ATOM 659 N MET A 45 -13.058 5.033 -3.073 1.00 0.00 N ATOM 660 CA MET A 45 -13.677 4.282 -1.985 1.00 0.00 C ATOM 661 C MET A 45 -15.163 4.608 -1.881 1.00 0.00 C ATOM 662 O MET A 45 -15.951 3.806 -1.379 1.00 0.00 O ATOM 663 CB MET A 45 -12.977 4.573 -0.655 1.00 0.00 C ATOM 664 CG MET A 45 -11.652 3.844 -0.494 1.00 0.00 C ATOM 665 SD MET A 45 -10.963 4.006 1.166 1.00 0.00 S ATOM 666 CE MET A 45 -12.227 3.198 2.146 1.00 0.00 C ATOM 0 H MET A 45 -12.299 5.650 -2.785 1.00 0.00 H new ATOM 0 HA MET A 45 -13.569 3.220 -2.207 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.805 5.646 -0.572 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.639 4.292 0.164 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.793 2.788 -0.722 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.937 4.234 -1.219 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.790 2.838 3.078 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.024 3.908 2.369 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.637 2.356 1.588 1.00 0.00 H new ATOM 676 N ASP A 46 -15.539 5.792 -2.357 1.00 0.00 N ATOM 677 CA ASP A 46 -16.933 6.223 -2.331 1.00 0.00 C ATOM 678 C ASP A 46 -17.811 5.243 -3.104 1.00 0.00 C ATOM 679 O ASP A 46 -18.986 5.059 -2.789 1.00 0.00 O ATOM 680 CB ASP A 46 -17.067 7.626 -2.926 1.00 0.00 C ATOM 681 CG ASP A 46 -18.497 8.128 -2.916 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.222 7.877 -3.902 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.893 8.772 -1.922 1.00 0.00 O ATOM 0 H ASP A 46 -14.897 6.471 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.265 6.246 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.439 8.317 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.695 7.619 -3.951 1.00 0.00 H new ATOM 688 N LYS A 47 -17.228 4.620 -4.124 1.00 0.00 N ATOM 689 CA LYS A 47 -17.944 3.658 -4.954 1.00 0.00 C ATOM 690 C LYS A 47 -17.746 2.236 -4.437 1.00 0.00 C ATOM 691 O LYS A 47 -18.708 1.490 -4.246 1.00 0.00 O ATOM 692 CB LYS A 47 -17.450 3.746 -6.398 1.00 0.00 C ATOM 693 CG LYS A 47 -18.316 2.992 -7.395 1.00 0.00 C ATOM 694 CD LYS A 47 -19.631 3.708 -7.649 1.00 0.00 C ATOM 695 CE LYS A 47 -20.467 2.986 -8.693 1.00 0.00 C ATOM 696 NZ LYS A 47 -20.840 1.612 -8.256 1.00 0.00 N ATOM 0 H LYS A 47 -16.256 4.766 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.006 3.900 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.404 4.795 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.433 3.356 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.775 2.879 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.515 1.988 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.193 3.780 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.433 4.727 -7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.371 3.561 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.910 2.930 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.556 1.225 -8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.997 1.003 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.227 1.648 -7.292 1.00 0.00 H new ATOM 710 N TYR A 48 -16.488 1.876 -4.206 1.00 0.00 N ATOM 711 CA TYR A 48 -16.134 0.543 -3.728 1.00 0.00 C ATOM 712 C TYR A 48 -16.901 0.163 -2.464 1.00 0.00 C ATOM 713 O TYR A 48 -17.530 -0.890 -2.409 1.00 0.00 O ATOM 714 CB TYR A 48 -14.630 0.462 -3.456 1.00 0.00 C ATOM 715 CG TYR A 48 -13.781 0.316 -4.701 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.827 1.262 -5.718 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.928 -0.771 -4.856 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.049 1.129 -6.853 1.00 0.00 C ATOM 719 CE2 TYR A 48 -12.145 -0.909 -5.986 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.209 0.042 -6.982 1.00 0.00 C ATOM 721 OH TYR A 48 -11.432 -0.092 -8.109 1.00 0.00 O ATOM 0 H TYR A 48 -15.689 2.495 -4.344 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.409 -0.163 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.320 1.360 -2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.436 -0.384 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.482 2.115 -5.620 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.877 -1.520 -4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.098 1.872 -7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.486 -1.758 -6.089 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.906 0.285 -8.880 1.00 0.00 H new ATOM 731 N TYR A 49 -16.845 1.024 -1.452 1.00 0.00 N ATOM 732 CA TYR A 49 -17.522 0.757 -0.182 1.00 0.00 C ATOM 733 C TYR A 49 -19.008 0.464 -0.388 1.00 0.00 C ATOM 734 O TYR A 49 -19.604 -0.315 0.354 1.00 0.00 O ATOM 735 CB TYR A 49 -17.339 1.939 0.782 1.00 0.00 C ATOM 736 CG TYR A 49 -18.557 2.830 0.916 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.883 3.751 -0.072 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.385 2.744 2.030 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.997 4.560 0.045 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.500 3.551 2.154 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.802 4.457 1.159 1.00 0.00 C ATOM 742 OH TYR A 49 -21.911 5.262 1.279 1.00 0.00 O ATOM 0 H TYR A 49 -16.340 1.910 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.066 -0.131 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.077 1.552 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.498 2.543 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.255 3.836 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.153 2.035 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.236 5.270 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.132 3.473 3.026 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.370 5.063 2.122 1.00 0.00 H new ATOM 752 N LEU A 50 -19.599 1.094 -1.399 1.00 0.00 N ATOM 753 CA LEU A 50 -21.015 0.908 -1.689 1.00 0.00 C ATOM 754 C LEU A 50 -21.251 -0.368 -2.494 1.00 0.00 C ATOM 755 O LEU A 50 -22.329 -0.959 -2.435 1.00 0.00 O ATOM 756 CB LEU A 50 -21.560 2.137 -2.414 1.00 0.00 C ATOM 757 CG LEU A 50 -21.870 1.962 -3.895 1.00 0.00 C ATOM 758 CD1 LEU A 50 -23.271 1.403 -4.079 1.00 0.00 C ATOM 759 CD2 LEU A 50 -21.724 3.292 -4.603 1.00 0.00 C ATOM 0 H LEU A 50 -19.119 1.736 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.554 0.795 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -22.471 2.457 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -20.837 2.946 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 50 -21.165 1.253 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.478 1.283 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -23.344 0.435 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.997 2.089 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.946 3.166 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -22.418 4.013 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -20.703 3.656 -4.487 1.00 0.00 H new ATOM 771 N GLU A 51 -20.233 -0.797 -3.231 1.00 0.00 N ATOM 772 CA GLU A 51 -20.331 -1.997 -4.043 1.00 0.00 C ATOM 773 C GLU A 51 -20.121 -3.247 -3.189 1.00 0.00 C ATOM 774 O GLU A 51 -20.827 -4.244 -3.342 1.00 0.00 O ATOM 775 CB GLU A 51 -19.304 -1.923 -5.178 1.00 0.00 C ATOM 776 CG GLU A 51 -18.744 -3.266 -5.604 1.00 0.00 C ATOM 777 CD GLU A 51 -19.786 -4.160 -6.250 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.222 -3.842 -7.376 1.00 0.00 O ATOM 779 OE2 GLU A 51 -20.160 -5.178 -5.634 1.00 0.00 O ATOM 0 H GLU A 51 -19.329 -0.328 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.330 -2.062 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.768 -1.446 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.480 -1.282 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.924 -3.107 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.326 -3.773 -4.734 1.00 0.00 H new ATOM 786 N PHE A 52 -19.155 -3.181 -2.278 1.00 0.00 N ATOM 787 CA PHE A 52 -18.851 -4.309 -1.404 1.00 0.00 C ATOM 788 C PHE A 52 -19.860 -4.408 -0.267 1.00 0.00 C ATOM 789 O PHE A 52 -19.652 -3.859 0.815 1.00 0.00 O ATOM 790 CB PHE A 52 -17.435 -4.180 -0.839 1.00 0.00 C ATOM 791 CG PHE A 52 -16.358 -4.504 -1.835 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.186 -3.728 -2.970 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.516 -5.586 -1.635 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.196 -4.026 -3.887 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.525 -5.889 -2.548 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.364 -5.107 -3.676 1.00 0.00 C ATOM 0 H PHE A 52 -18.570 -2.359 -2.126 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.914 -5.221 -1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.289 -3.162 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.334 -4.842 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.833 -2.880 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.636 -6.200 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -15.073 -3.414 -4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.877 -6.736 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.589 -5.341 -4.391 1.00 0.00 H new ATOM 806 N GLU A 53 -20.961 -5.105 -0.525 1.00 0.00 N ATOM 807 CA GLU A 53 -22.002 -5.286 0.479 1.00 0.00 C ATOM 808 C GLU A 53 -21.797 -6.599 1.228 1.00 0.00 C ATOM 809 O GLU A 53 -21.443 -7.615 0.630 1.00 0.00 O ATOM 810 CB GLU A 53 -23.385 -5.266 -0.174 1.00 0.00 C ATOM 811 CG GLU A 53 -24.528 -5.440 0.813 1.00 0.00 C ATOM 812 CD GLU A 53 -25.888 -5.396 0.144 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.349 -6.454 -0.334 1.00 0.00 O ATOM 814 OE2 GLU A 53 -26.491 -4.304 0.095 1.00 0.00 O ATOM 0 H GLU A 53 -21.155 -5.553 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.939 -4.462 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.514 -4.322 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.437 -6.059 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.413 -6.392 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.473 -4.656 1.568 1.00 0.00 H new ATOM 821 N ASP A 54 -22.019 -6.572 2.538 1.00 0.00 N ATOM 822 CA ASP A 54 -21.854 -7.754 3.364 1.00 0.00 C ATOM 823 C ASP A 54 -22.931 -8.792 3.065 1.00 0.00 C ATOM 824 O ASP A 54 -24.068 -8.674 3.522 1.00 0.00 O ATOM 825 CB ASP A 54 -21.892 -7.359 4.839 1.00 0.00 C ATOM 826 CG ASP A 54 -23.079 -6.477 5.173 1.00 0.00 C ATOM 827 OD1 ASP A 54 -22.984 -5.249 4.964 1.00 0.00 O ATOM 828 OD2 ASP A 54 -24.104 -7.013 5.645 1.00 0.00 O ATOM 0 H ASP A 54 -22.314 -5.740 3.048 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.888 -8.203 3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.928 -8.259 5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -20.971 -6.836 5.096 1.00 0.00 H new ATOM 833 N THR A 55 -22.564 -9.807 2.288 1.00 0.00 N ATOM 834 CA THR A 55 -23.493 -10.870 1.925 1.00 0.00 C ATOM 835 C THR A 55 -22.819 -12.236 2.008 1.00 0.00 C ATOM 836 O THR A 55 -21.620 -12.332 2.273 1.00 0.00 O ATOM 837 CB THR A 55 -24.053 -10.672 0.504 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.982 -10.642 -0.447 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.857 -9.382 0.414 1.00 0.00 C ATOM 0 H THR A 55 -21.628 -9.915 1.898 1.00 0.00 H new ATOM 0 HA THR A 55 -24.317 -10.827 2.638 1.00 0.00 H new ATOM 0 HB THR A 55 -24.713 -11.509 0.278 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.903 -11.518 -0.878 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.242 -9.263 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.689 -9.422 1.117 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.216 -8.536 0.659 1.00 0.00 H new ATOM 847 N GLU A 56 -23.596 -13.289 1.780 1.00 0.00 N ATOM 848 CA GLU A 56 -23.075 -14.650 1.831 1.00 0.00 C ATOM 849 C GLU A 56 -22.632 -15.116 0.448 1.00 0.00 C ATOM 850 O GLU A 56 -21.687 -15.895 0.318 1.00 0.00 O ATOM 851 CB GLU A 56 -24.130 -15.607 2.388 1.00 0.00 C ATOM 852 CG GLU A 56 -24.499 -15.338 3.839 1.00 0.00 C ATOM 853 CD GLU A 56 -25.226 -14.020 4.027 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.463 -13.995 3.858 1.00 0.00 O ATOM 855 OE2 GLU A 56 -24.558 -13.013 4.343 1.00 0.00 O ATOM 0 H GLU A 56 -24.590 -13.226 1.558 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.209 -14.652 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -25.029 -15.538 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.762 -16.629 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.127 -16.150 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.593 -15.338 4.445 1.00 0.00 H new ATOM 862 N GLU A 57 -23.321 -14.635 -0.582 1.00 0.00 N ATOM 863 CA GLU A 57 -23.004 -15.006 -1.956 1.00 0.00 C ATOM 864 C GLU A 57 -21.845 -14.172 -2.494 1.00 0.00 C ATOM 865 O GLU A 57 -21.858 -12.943 -2.409 1.00 0.00 O ATOM 866 CB GLU A 57 -24.234 -14.828 -2.847 1.00 0.00 C ATOM 867 CG GLU A 57 -24.022 -15.293 -4.279 1.00 0.00 C ATOM 868 CD GLU A 57 -25.272 -15.157 -5.125 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.083 -16.107 -5.142 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.440 -14.101 -5.770 1.00 0.00 O ATOM 0 H GLU A 57 -24.103 -13.987 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.704 -16.054 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -25.068 -15.380 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.518 -13.776 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.217 -14.713 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -23.701 -16.335 -4.276 1.00 0.00 H new ATOM 877 N ASN A 58 -20.845 -14.849 -3.049 1.00 0.00 N ATOM 878 CA ASN A 58 -19.678 -14.175 -3.607 1.00 0.00 C ATOM 879 C ASN A 58 -19.829 -13.995 -5.114 1.00 0.00 C ATOM 880 O ASN A 58 -20.058 -14.959 -5.843 1.00 0.00 O ATOM 881 CB ASN A 58 -18.408 -14.970 -3.304 1.00 0.00 C ATOM 882 CG ASN A 58 -18.153 -15.119 -1.816 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.554 -14.117 -1.041 1.00 0.00 O flip ATOM 884 ND2 ASN A 58 -17.597 -16.121 -1.369 1.00 0.00 N flip ATOM 0 H ASN A 58 -20.819 -15.866 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.600 -13.192 -3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.486 -15.959 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.555 -14.475 -3.767 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.305 -16.867 -2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.428 -16.206 -0.367 1.00 0.00 H new ATOM 891 N LYS A 59 -19.698 -12.755 -5.572 1.00 0.00 N ATOM 892 CA LYS A 59 -19.820 -12.448 -6.992 1.00 0.00 C ATOM 893 C LYS A 59 -18.448 -12.390 -7.657 1.00 0.00 C ATOM 894 O LYS A 59 -17.444 -12.104 -7.006 1.00 0.00 O ATOM 895 CB LYS A 59 -20.550 -11.117 -7.185 1.00 0.00 C ATOM 896 CG LYS A 59 -21.963 -11.113 -6.624 1.00 0.00 C ATOM 897 CD LYS A 59 -22.649 -9.776 -6.853 1.00 0.00 C ATOM 898 CE LYS A 59 -24.067 -9.774 -6.302 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.093 -10.032 -4.835 1.00 0.00 N ATOM 0 H LYS A 59 -19.507 -11.946 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.397 -13.244 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.975 -10.324 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.589 -10.884 -8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.544 -11.907 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.932 -11.329 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.072 -8.984 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.672 -9.556 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.536 -8.812 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.657 -10.534 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.037 -9.808 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.878 -11.033 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.383 -9.435 -4.365 1.00 0.00 H new ATOM 913 N LEU A 60 -18.414 -12.668 -8.956 1.00 0.00 N ATOM 914 CA LEU A 60 -17.167 -12.645 -9.712 1.00 0.00 C ATOM 915 C LEU A 60 -16.786 -11.216 -10.084 1.00 0.00 C ATOM 916 O LEU A 60 -15.662 -10.953 -10.514 1.00 0.00 O ATOM 917 CB LEU A 60 -17.300 -13.498 -10.977 1.00 0.00 C ATOM 918 CG LEU A 60 -16.024 -13.635 -11.812 1.00 0.00 C ATOM 919 CD1 LEU A 60 -14.940 -14.356 -11.024 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.317 -14.368 -13.112 1.00 0.00 C ATOM 0 H LEU A 60 -19.237 -12.912 -9.508 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.379 -13.060 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.635 -14.495 -10.690 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.081 -13.068 -11.605 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.662 -12.635 -12.053 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.042 -14.443 -11.636 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.710 -13.791 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.290 -15.351 -10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.400 -14.457 -13.694 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.704 -15.363 -12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.058 -13.810 -13.685 1.00 0.00 H new ATOM 932 N ILE A 61 -17.729 -10.295 -9.913 1.00 0.00 N ATOM 933 CA ILE A 61 -17.501 -8.891 -10.231 1.00 0.00 C ATOM 934 C ILE A 61 -16.405 -8.294 -9.347 1.00 0.00 C ATOM 935 O ILE A 61 -15.826 -7.254 -9.670 1.00 0.00 O ATOM 936 CB ILE A 61 -18.797 -8.065 -10.067 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.618 -6.658 -10.642 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.202 -7.996 -8.602 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.414 -6.635 -12.142 1.00 0.00 C ATOM 0 H ILE A 61 -18.662 -10.498 -9.554 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.180 -8.847 -11.272 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.593 -8.562 -10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.495 -6.060 -10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.762 -6.184 -10.161 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.116 -7.411 -8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.374 -9.004 -8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.406 -7.524 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.295 -5.605 -12.477 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.521 -7.205 -12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.280 -7.078 -12.634 1.00 0.00 H new ATOM 951 N TYR A 62 -16.118 -8.966 -8.237 1.00 0.00 N ATOM 952 CA TYR A 62 -15.094 -8.500 -7.310 1.00 0.00 C ATOM 953 C TYR A 62 -13.694 -8.660 -7.896 1.00 0.00 C ATOM 954 O TYR A 62 -12.753 -7.998 -7.459 1.00 0.00 O ATOM 955 CB TYR A 62 -15.194 -9.254 -5.980 1.00 0.00 C ATOM 956 CG TYR A 62 -16.467 -8.973 -5.213 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.839 -7.670 -4.900 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.295 -10.007 -4.798 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.001 -7.409 -4.198 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.458 -9.755 -4.096 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.805 -8.454 -3.798 1.00 0.00 C ATOM 962 OH TYR A 62 -19.963 -8.198 -3.099 1.00 0.00 O ATOM 0 H TYR A 62 -16.579 -9.832 -7.958 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.267 -7.438 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.127 -10.324 -6.174 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.340 -8.988 -5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -16.210 -6.849 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.025 -11.027 -5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -18.277 -6.391 -3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.091 -10.572 -3.783 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.415 -9.043 -2.894 1.00 0.00 H new ATOM 972 N THR A 63 -13.557 -9.538 -8.889 1.00 0.00 N ATOM 973 CA THR A 63 -12.261 -9.772 -9.522 1.00 0.00 C ATOM 974 C THR A 63 -11.835 -8.582 -10.390 1.00 0.00 C ATOM 975 O THR A 63 -10.732 -8.061 -10.222 1.00 0.00 O ATOM 976 CB THR A 63 -12.263 -11.061 -10.372 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.621 -12.183 -9.557 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.896 -11.302 -10.997 1.00 0.00 C ATOM 0 H THR A 63 -14.322 -10.095 -9.270 1.00 0.00 H new ATOM 0 HA THR A 63 -11.539 -9.892 -8.714 1.00 0.00 H new ATOM 0 HB THR A 63 -12.995 -10.941 -11.171 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.622 -12.997 -10.103 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.923 -12.216 -11.591 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.636 -10.460 -11.639 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.149 -11.403 -10.210 1.00 0.00 H new ATOM 986 N PRO A 64 -12.693 -8.124 -11.332 1.00 0.00 N ATOM 987 CA PRO A 64 -12.366 -6.981 -12.191 1.00 0.00 C ATOM 988 C PRO A 64 -12.227 -5.690 -11.392 1.00 0.00 C ATOM 989 O PRO A 64 -11.302 -4.907 -11.615 1.00 0.00 O ATOM 990 CB PRO A 64 -13.556 -6.890 -13.153 1.00 0.00 C ATOM 991 CG PRO A 64 -14.667 -7.600 -12.463 1.00 0.00 C ATOM 992 CD PRO A 64 -14.022 -8.683 -11.647 1.00 0.00 C ATOM 0 HA PRO A 64 -11.411 -7.114 -12.698 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.819 -5.852 -13.358 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.325 -7.356 -14.111 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.232 -6.917 -11.828 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.369 -8.020 -13.184 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.592 -8.899 -10.743 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.944 -9.616 -12.206 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.151 -5.474 -10.458 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.126 -4.278 -9.623 1.00 0.00 C ATOM 1002 C ILE A 65 -11.827 -4.203 -8.823 1.00 0.00 C ATOM 1003 O ILE A 65 -11.238 -3.132 -8.675 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.331 -4.245 -8.659 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.639 -4.193 -9.454 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.230 -3.053 -7.717 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.880 -4.319 -8.594 1.00 0.00 C ATOM 0 H ILE A 65 -13.924 -6.110 -10.262 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.187 -3.415 -10.286 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.323 -5.155 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.683 -3.253 -10.004 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.637 -4.994 -10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -15.088 -3.047 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.313 -3.127 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.217 -2.131 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.767 -4.274 -9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.860 -5.271 -8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.907 -3.503 -7.872 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.387 -5.349 -8.312 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.154 -5.416 -7.537 1.00 0.00 C ATOM 1021 C PHE A 66 -8.964 -4.982 -8.387 1.00 0.00 C ATOM 1022 O PHE A 66 -8.098 -4.237 -7.928 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.933 -6.838 -7.010 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.680 -6.997 -6.195 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.665 -6.662 -4.851 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.518 -7.484 -6.774 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.515 -6.810 -4.098 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.366 -7.635 -6.027 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.364 -7.297 -4.687 1.00 0.00 C ATOM 0 H PHE A 66 -11.866 -6.243 -8.421 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.243 -4.736 -6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.790 -7.127 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.895 -7.526 -7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.562 -6.281 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.514 -7.748 -7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.516 -6.545 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.468 -8.017 -6.490 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.464 -7.413 -4.101 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.934 -5.451 -9.631 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.858 -5.106 -10.551 1.00 0.00 C ATOM 1041 C ASN A 67 -7.773 -3.596 -10.733 1.00 0.00 C ATOM 1042 O ASN A 67 -6.682 -3.035 -10.843 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.078 -5.786 -11.902 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.137 -7.297 -11.783 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.507 -7.888 -10.907 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.899 -7.929 -12.668 1.00 0.00 N ATOM 0 H ASN A 67 -9.643 -6.071 -10.024 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.917 -5.458 -10.128 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.006 -5.422 -12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.272 -5.508 -12.581 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.979 -8.945 -12.638 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.404 -7.398 -13.378 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.932 -2.943 -10.764 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.987 -1.494 -10.922 1.00 0.00 C ATOM 1055 C GLU A 68 -8.286 -0.806 -9.756 1.00 0.00 C ATOM 1056 O GLU A 68 -7.513 0.132 -9.949 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.439 -1.017 -11.012 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.578 0.492 -11.137 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.006 0.929 -11.400 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.747 1.155 -10.421 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.381 1.046 -12.586 1.00 0.00 O ATOM 0 H GLU A 68 -9.843 -3.394 -10.682 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.474 -1.232 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.915 -1.490 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.978 -1.351 -10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.221 0.963 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.939 0.846 -11.946 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.564 -1.284 -8.547 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.962 -0.722 -7.343 1.00 0.00 C ATOM 1070 C TYR A 69 -6.441 -0.844 -7.389 1.00 0.00 C ATOM 1071 O TYR A 69 -5.720 0.000 -6.854 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.505 -1.433 -6.103 1.00 0.00 C ATOM 1073 CG TYR A 69 -8.054 -0.815 -4.799 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.778 0.212 -4.208 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.906 -1.262 -4.158 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.369 0.778 -3.015 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.491 -0.701 -2.966 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.225 0.317 -2.398 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.815 0.878 -1.210 1.00 0.00 O ATOM 0 H TYR A 69 -9.203 -2.060 -8.375 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.222 0.335 -7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.594 -1.427 -6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.191 -2.477 -6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.675 0.574 -4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.328 -2.061 -4.599 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.942 1.577 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.595 -1.059 -2.481 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.993 0.439 -0.908 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.957 -1.903 -8.028 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.522 -2.133 -8.137 1.00 0.00 C ATOM 1091 C ILE A 70 -3.877 -1.167 -9.127 1.00 0.00 C ATOM 1092 O ILE A 70 -3.015 -0.370 -8.760 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.221 -3.581 -8.571 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.858 -4.577 -7.594 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.718 -3.810 -8.670 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.339 -4.463 -6.174 1.00 0.00 C ATOM 0 H ILE A 70 -6.535 -2.613 -8.477 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.098 -1.961 -7.148 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.655 -3.743 -9.558 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.937 -4.426 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.680 -5.590 -7.955 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.526 -4.838 -8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.293 -3.126 -9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.258 -3.630 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.837 -5.200 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.264 -4.644 -6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.542 -3.463 -5.792 1.00 0.00 H new ATOM 1108 N SER A 71 -4.306 -1.233 -10.382 1.00 0.00 N ATOM 1109 CA SER A 71 -3.759 -0.370 -11.424 1.00 0.00 C ATOM 1110 C SER A 71 -3.933 1.108 -11.081 1.00 0.00 C ATOM 1111 O SER A 71 -3.183 1.954 -11.565 1.00 0.00 O ATOM 1112 CB SER A 71 -4.424 -0.672 -12.768 1.00 0.00 C ATOM 1113 OG SER A 71 -3.894 0.148 -13.796 1.00 0.00 O ATOM 0 H SER A 71 -5.031 -1.875 -10.703 1.00 0.00 H new ATOM 0 HA SER A 71 -2.691 -0.577 -11.493 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.276 -1.721 -13.023 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.499 -0.512 -12.689 1.00 0.00 H new ATOM 0 HG SER A 71 -4.335 -0.066 -14.645 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.937 1.426 -10.269 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.184 2.813 -9.883 1.00 0.00 C ATOM 1121 C LEU A 72 -4.437 3.193 -8.602 1.00 0.00 C ATOM 1122 O LEU A 72 -3.549 4.047 -8.620 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.692 3.043 -9.704 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.146 4.504 -9.557 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.864 5.026 -8.155 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.477 5.390 -10.600 1.00 0.00 C ATOM 0 H LEU A 72 -5.587 0.750 -9.868 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.808 3.452 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.208 2.609 -10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.020 2.493 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.223 4.535 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.195 6.062 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.401 4.419 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.794 4.972 -7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.815 6.419 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.395 5.346 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.741 5.040 -11.598 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.801 2.548 -7.495 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.189 2.836 -6.198 1.00 0.00 C ATOM 1140 C VAL A 73 -2.776 2.274 -6.074 1.00 0.00 C ATOM 1141 O VAL A 73 -1.822 3.023 -5.865 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.050 2.296 -5.040 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.420 2.634 -3.697 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.464 2.850 -5.128 1.00 0.00 C ATOM 0 H VAL A 73 -5.517 1.822 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.128 3.922 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.100 1.210 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.044 2.243 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.429 2.185 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.335 3.716 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.060 2.459 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.433 3.938 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.914 2.550 -6.074 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.646 0.954 -6.191 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.341 0.307 -6.068 1.00 0.00 C ATOM 1156 C GLU A 74 -0.321 0.966 -6.989 1.00 0.00 C ATOM 1157 O GLU A 74 0.821 1.207 -6.595 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.454 -1.189 -6.383 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.195 -1.985 -6.070 1.00 0.00 C ATOM 1160 CD GLU A 74 0.899 -1.792 -7.103 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.725 -2.264 -8.247 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.931 -1.175 -6.767 1.00 0.00 O ATOM 0 H GLU A 74 -3.421 0.316 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.999 0.423 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.286 -1.607 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.695 -1.310 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.181 -1.689 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.447 -3.044 -6.009 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.742 1.267 -8.211 1.00 0.00 N ATOM 1170 CA LYS A 75 0.138 1.903 -9.181 1.00 0.00 C ATOM 1171 C LYS A 75 0.469 3.327 -8.749 1.00 0.00 C ATOM 1172 O LYS A 75 1.577 3.809 -8.971 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.516 1.915 -10.562 1.00 0.00 C ATOM 1174 CG LYS A 75 0.438 2.277 -11.688 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.306 2.554 -12.984 1.00 0.00 C ATOM 1176 CE LYS A 75 0.644 2.990 -14.089 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.077 3.292 -15.355 1.00 0.00 N ATOM 0 H LYS A 75 -1.685 1.081 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 75 1.064 1.330 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.942 0.932 -10.761 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.343 2.625 -10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.018 3.156 -11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.146 1.463 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.842 1.658 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.053 3.330 -12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.195 3.873 -13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.378 2.204 -14.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.606 3.585 -16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.583 2.442 -15.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.759 4.060 -15.191 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.503 3.995 -8.130 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.311 5.364 -7.661 1.00 0.00 C ATOM 1193 C TYR A 76 0.846 5.441 -6.669 1.00 0.00 C ATOM 1194 O TYR A 76 1.690 6.333 -6.758 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.594 5.890 -7.013 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.470 7.295 -6.465 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.512 8.397 -7.309 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.313 7.517 -5.102 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.401 9.682 -6.812 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.201 8.799 -4.598 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.246 9.877 -5.455 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.135 11.154 -4.956 1.00 0.00 O ATOM 0 H TYR A 76 -1.429 3.611 -7.942 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.069 5.987 -8.522 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.398 5.867 -7.749 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.883 5.219 -6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.633 8.247 -8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.278 6.675 -4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.435 10.528 -7.482 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.079 8.955 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.033 11.117 -3.982 1.00 0.00 H new ATOM 1212 N ILE A 77 0.883 4.505 -5.724 1.00 0.00 N ATOM 1213 CA ILE A 77 1.943 4.476 -4.721 1.00 0.00 C ATOM 1214 C ILE A 77 3.303 4.240 -5.372 1.00 0.00 C ATOM 1215 O ILE A 77 4.281 4.915 -5.051 1.00 0.00 O ATOM 1216 CB ILE A 77 1.698 3.378 -3.663 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.379 3.626 -2.924 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.860 3.323 -2.678 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.016 2.529 -1.942 1.00 0.00 C ATOM 0 H ILE A 77 0.193 3.759 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 77 1.936 5.448 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 77 1.629 2.417 -4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.445 4.573 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.423 3.728 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.673 2.545 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.782 3.100 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.957 4.285 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.929 2.773 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.083 1.583 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.799 2.442 -1.188 1.00 0.00 H new ATOM 1231 N GLU A 78 3.354 3.275 -6.286 1.00 0.00 N ATOM 1232 CA GLU A 78 4.594 2.943 -6.980 1.00 0.00 C ATOM 1233 C GLU A 78 5.121 4.132 -7.779 1.00 0.00 C ATOM 1234 O GLU A 78 6.308 4.451 -7.724 1.00 0.00 O ATOM 1235 CB GLU A 78 4.373 1.749 -7.911 1.00 0.00 C ATOM 1236 CG GLU A 78 5.644 1.271 -8.595 1.00 0.00 C ATOM 1237 CD GLU A 78 5.418 0.043 -9.455 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.481 -1.081 -8.914 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.177 0.206 -10.670 1.00 0.00 O ATOM 0 H GLU A 78 2.551 2.710 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 78 5.338 2.684 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.946 0.926 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.641 2.022 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.043 2.075 -9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.397 1.047 -7.839 1.00 0.00 H new ATOM 1246 N GLU A 79 4.230 4.786 -8.518 1.00 0.00 N ATOM 1247 CA GLU A 79 4.606 5.932 -9.341 1.00 0.00 C ATOM 1248 C GLU A 79 5.113 7.091 -8.487 1.00 0.00 C ATOM 1249 O GLU A 79 6.096 7.743 -8.836 1.00 0.00 O ATOM 1250 CB GLU A 79 3.418 6.389 -10.189 1.00 0.00 C ATOM 1251 CG GLU A 79 3.010 5.386 -11.256 1.00 0.00 C ATOM 1252 CD GLU A 79 1.849 5.872 -12.101 1.00 0.00 C ATOM 1253 OE1 GLU A 79 2.099 6.535 -13.129 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.689 5.589 -11.735 1.00 0.00 O ATOM 0 H GLU A 79 3.241 4.542 -8.564 1.00 0.00 H new ATOM 0 HA GLU A 79 5.417 5.616 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.567 6.577 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.667 7.336 -10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.864 5.181 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.738 4.444 -10.779 1.00 0.00 H new ATOM 1261 N GLN A 80 4.440 7.340 -7.368 1.00 0.00 N ATOM 1262 CA GLN A 80 4.820 8.427 -6.470 1.00 0.00 C ATOM 1263 C GLN A 80 6.253 8.263 -5.973 1.00 0.00 C ATOM 1264 O GLN A 80 7.014 9.229 -5.918 1.00 0.00 O ATOM 1265 CB GLN A 80 3.859 8.493 -5.282 1.00 0.00 C ATOM 1266 CG GLN A 80 2.508 9.100 -5.625 1.00 0.00 C ATOM 1267 CD GLN A 80 2.608 10.567 -5.996 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.798 10.914 -7.162 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.477 11.438 -5.003 1.00 0.00 N ATOM 0 H GLN A 80 3.628 6.804 -7.061 1.00 0.00 H new ATOM 0 HA GLN A 80 4.761 9.359 -7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.707 7.487 -4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.319 9.078 -4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.065 8.548 -6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.837 8.989 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.321 11.106 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.533 12.439 -5.192 1.00 0.00 H new ATOM 1278 N LEU A 81 6.616 7.037 -5.614 1.00 0.00 N ATOM 1279 CA LEU A 81 7.959 6.755 -5.118 1.00 0.00 C ATOM 1280 C LEU A 81 8.987 6.840 -6.242 1.00 0.00 C ATOM 1281 O LEU A 81 10.122 7.265 -6.025 1.00 0.00 O ATOM 1282 CB LEU A 81 8.006 5.368 -4.474 1.00 0.00 C ATOM 1283 CG LEU A 81 7.080 5.176 -3.271 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.143 3.741 -2.773 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.446 6.145 -2.156 1.00 0.00 C ATOM 0 H LEU A 81 6.001 6.224 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 81 8.206 7.507 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.752 4.625 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.030 5.165 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 81 6.058 5.385 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.478 3.623 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.832 3.065 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.164 3.504 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.777 5.994 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.475 5.967 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.349 7.169 -2.517 1.00 0.00 H new ATOM 1297 N LEU A 82 8.580 6.436 -7.440 1.00 0.00 N ATOM 1298 CA LEU A 82 9.464 6.461 -8.600 1.00 0.00 C ATOM 1299 C LEU A 82 9.776 7.892 -9.030 1.00 0.00 C ATOM 1300 O LEU A 82 10.808 8.150 -9.650 1.00 0.00 O ATOM 1301 CB LEU A 82 8.831 5.693 -9.762 1.00 0.00 C ATOM 1302 CG LEU A 82 8.768 4.174 -9.577 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.955 3.535 -10.691 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.170 3.584 -9.534 1.00 0.00 C ATOM 0 H LEU A 82 7.642 6.086 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 82 10.401 5.980 -8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.819 6.067 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.393 5.910 -10.670 1.00 0.00 H new ATOM 0 HG LEU A 82 8.276 3.963 -8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.921 2.456 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.941 3.935 -10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.419 3.755 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.106 2.504 -9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.687 3.806 -10.468 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.723 4.019 -8.701 1.00 0.00 H new ATOM 1316 N GLN A 83 8.883 8.819 -8.697 1.00 0.00 N ATOM 1317 CA GLN A 83 9.070 10.222 -9.055 1.00 0.00 C ATOM 1318 C GLN A 83 10.302 10.808 -8.370 1.00 0.00 C ATOM 1319 O GLN A 83 10.839 11.825 -8.808 1.00 0.00 O ATOM 1320 CB GLN A 83 7.829 11.038 -8.690 1.00 0.00 C ATOM 1321 CG GLN A 83 6.652 10.805 -9.624 1.00 0.00 C ATOM 1322 CD GLN A 83 5.444 11.651 -9.266 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.580 12.756 -8.742 1.00 0.00 O ATOM 1324 NE2 GLN A 83 4.255 11.132 -9.548 1.00 0.00 N ATOM 0 H GLN A 83 8.025 8.625 -8.181 1.00 0.00 H new ATOM 0 HA GLN A 83 9.223 10.272 -10.133 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.529 10.791 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.085 12.097 -8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.956 11.027 -10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.374 9.751 -9.596 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.190 10.212 -9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.406 11.654 -9.330 1.00 0.00 H new ATOM 1333 N ARG A 84 10.745 10.162 -7.295 1.00 0.00 N ATOM 1334 CA ARG A 84 11.915 10.626 -6.556 1.00 0.00 C ATOM 1335 C ARG A 84 13.003 9.557 -6.527 1.00 0.00 C ATOM 1336 O ARG A 84 14.168 9.850 -6.259 1.00 0.00 O ATOM 1337 CB ARG A 84 11.526 11.018 -5.131 1.00 0.00 C ATOM 1338 CG ARG A 84 10.529 12.163 -5.069 1.00 0.00 C ATOM 1339 CD ARG A 84 10.244 12.578 -3.635 1.00 0.00 C ATOM 1340 NE ARG A 84 11.448 13.048 -2.954 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.443 13.611 -1.750 1.00 0.00 C ATOM 1342 NH1 ARG A 84 10.301 13.776 -1.094 1.00 0.00 N ATOM 1343 NH2 ARG A 84 12.581 14.012 -1.201 1.00 0.00 N ATOM 0 H ARG A 84 10.313 9.319 -6.917 1.00 0.00 H new ATOM 0 HA ARG A 84 12.310 11.503 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.102 10.150 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.425 11.299 -4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.918 13.016 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.600 11.864 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.492 13.367 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.825 11.733 -3.089 1.00 0.00 H new ATOM 0 HE ARG A 84 12.344 12.938 -3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.423 13.470 -1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.301 14.208 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.461 13.889 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.577 14.444 -0.277 1.00 0.00 H new ATOM 1357 N ILE A 85 12.613 8.316 -6.801 1.00 0.00 N ATOM 1358 CA ILE A 85 13.554 7.203 -6.813 1.00 0.00 C ATOM 1359 C ILE A 85 13.330 6.316 -8.037 1.00 0.00 C ATOM 1360 O ILE A 85 12.647 5.295 -7.954 1.00 0.00 O ATOM 1361 CB ILE A 85 13.433 6.342 -5.538 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.467 7.228 -4.290 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.552 5.310 -5.492 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.163 6.482 -3.008 1.00 0.00 C ATOM 0 H ILE A 85 11.651 8.056 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 85 14.555 7.634 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 85 12.478 5.817 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.452 7.688 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.746 8.037 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.456 4.709 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.486 4.663 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.516 5.819 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.205 7.173 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.166 6.045 -3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.898 5.690 -2.865 1.00 0.00 H new ATOM 1376 N PRO A 86 13.894 6.702 -9.197 1.00 0.00 N ATOM 1377 CA PRO A 86 13.750 5.936 -10.441 1.00 0.00 C ATOM 1378 C PRO A 86 14.415 4.567 -10.359 1.00 0.00 C ATOM 1379 O PRO A 86 14.317 3.761 -11.284 1.00 0.00 O ATOM 1380 CB PRO A 86 14.446 6.809 -11.496 1.00 0.00 C ATOM 1381 CG PRO A 86 14.579 8.157 -10.870 1.00 0.00 C ATOM 1382 CD PRO A 86 14.705 7.914 -9.396 1.00 0.00 C ATOM 0 HA PRO A 86 12.704 5.733 -10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.421 6.401 -11.762 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.860 6.858 -12.414 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.453 8.682 -11.255 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.711 8.778 -11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.742 7.760 -9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.327 8.754 -8.813 1.00 0.00 H new ATOM 1390 N GLU A 87 15.091 4.311 -9.244 1.00 0.00 N ATOM 1391 CA GLU A 87 15.775 3.039 -9.035 1.00 0.00 C ATOM 1392 C GLU A 87 15.079 2.221 -7.953 1.00 0.00 C ATOM 1393 O GLU A 87 15.647 1.268 -7.418 1.00 0.00 O ATOM 1394 CB GLU A 87 17.235 3.282 -8.645 1.00 0.00 C ATOM 1395 CG GLU A 87 18.020 4.063 -9.685 1.00 0.00 C ATOM 1396 CD GLU A 87 19.468 4.270 -9.287 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.748 5.236 -8.546 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.323 3.467 -9.717 1.00 0.00 O ATOM 0 H GLU A 87 15.180 4.969 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 87 15.742 2.478 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.265 3.822 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.723 2.321 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.981 3.534 -10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.547 5.033 -9.839 1.00 0.00 H new ATOM 1405 N PHE A 88 13.842 2.595 -7.639 1.00 0.00 N ATOM 1406 CA PHE A 88 13.068 1.902 -6.616 1.00 0.00 C ATOM 1407 C PHE A 88 12.386 0.662 -7.190 1.00 0.00 C ATOM 1408 O PHE A 88 11.984 0.643 -8.353 1.00 0.00 O ATOM 1409 CB PHE A 88 12.021 2.843 -6.017 1.00 0.00 C ATOM 1410 CG PHE A 88 11.249 2.238 -4.879 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.771 2.237 -3.595 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.004 1.669 -5.093 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.064 1.681 -2.546 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.293 1.112 -4.047 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.824 1.118 -2.772 1.00 0.00 C ATOM 0 H PHE A 88 13.354 3.375 -8.079 1.00 0.00 H new ATOM 0 HA PHE A 88 13.754 1.584 -5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.516 3.749 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.324 3.142 -6.799 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.741 2.676 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.585 1.661 -6.088 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.481 1.687 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.323 0.672 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.270 0.683 -1.953 1.00 0.00 H new ATOM 1425 N ASN A 89 12.262 -0.371 -6.361 1.00 0.00 N ATOM 1426 CA ASN A 89 11.624 -1.617 -6.774 1.00 0.00 C ATOM 1427 C ASN A 89 10.512 -1.991 -5.798 1.00 0.00 C ATOM 1428 O ASN A 89 10.771 -2.546 -4.731 1.00 0.00 O ATOM 1429 CB ASN A 89 12.657 -2.743 -6.856 1.00 0.00 C ATOM 1430 CG ASN A 89 12.116 -3.984 -7.539 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.917 -4.259 -7.499 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.003 -4.744 -8.173 1.00 0.00 N ATOM 0 H ASN A 89 12.596 -0.369 -5.397 1.00 0.00 H new ATOM 0 HA ASN A 89 11.188 -1.472 -7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.534 -2.388 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.987 -3.002 -5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.699 -5.592 -8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.988 -4.479 -8.181 1.00 0.00 H new ATOM 1439 N MET A 90 9.275 -1.679 -6.172 1.00 0.00 N ATOM 1440 CA MET A 90 8.118 -1.967 -5.329 1.00 0.00 C ATOM 1441 C MET A 90 7.941 -3.469 -5.119 1.00 0.00 C ATOM 1442 O MET A 90 7.522 -3.910 -4.049 1.00 0.00 O ATOM 1443 CB MET A 90 6.853 -1.376 -5.956 1.00 0.00 C ATOM 1444 CG MET A 90 5.634 -1.437 -5.050 1.00 0.00 C ATOM 1445 SD MET A 90 5.868 -0.529 -3.510 1.00 0.00 S ATOM 1446 CE MET A 90 4.237 -0.668 -2.780 1.00 0.00 C ATOM 0 H MET A 90 9.047 -1.225 -7.056 1.00 0.00 H new ATOM 0 HA MET A 90 8.290 -1.508 -4.355 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.043 -0.337 -6.224 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.634 -1.909 -6.881 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.772 -1.031 -5.579 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.407 -2.478 -4.822 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.223 -0.154 -1.819 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.501 -0.215 -3.444 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.993 -1.720 -2.632 1.00 0.00 H new ATOM 1456 N ALA A 91 8.261 -4.251 -6.146 1.00 0.00 N ATOM 1457 CA ALA A 91 8.130 -5.701 -6.073 1.00 0.00 C ATOM 1458 C ALA A 91 9.056 -6.297 -5.017 1.00 0.00 C ATOM 1459 O ALA A 91 8.613 -7.031 -4.132 1.00 0.00 O ATOM 1460 CB ALA A 91 8.412 -6.323 -7.433 1.00 0.00 C ATOM 0 H ALA A 91 8.613 -3.904 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 91 7.105 -5.928 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.311 -7.406 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.701 -5.937 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.426 -6.072 -7.745 1.00 0.00 H new ATOM 1466 N ALA A 92 10.342 -5.977 -5.113 1.00 0.00 N ATOM 1467 CA ALA A 92 11.332 -6.487 -4.170 1.00 0.00 C ATOM 1468 C ALA A 92 11.157 -5.869 -2.787 1.00 0.00 C ATOM 1469 O ALA A 92 11.444 -6.505 -1.773 1.00 0.00 O ATOM 1470 CB ALA A 92 12.737 -6.225 -4.692 1.00 0.00 C ATOM 0 H ALA A 92 10.724 -5.366 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 92 11.181 -7.562 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.467 -6.610 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.868 -6.725 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.884 -5.152 -4.819 1.00 0.00 H new ATOM 1476 N PHE A 93 10.684 -4.627 -2.751 1.00 0.00 N ATOM 1477 CA PHE A 93 10.477 -3.924 -1.490 1.00 0.00 C ATOM 1478 C PHE A 93 9.366 -4.576 -0.673 1.00 0.00 C ATOM 1479 O PHE A 93 9.511 -4.788 0.530 1.00 0.00 O ATOM 1480 CB PHE A 93 10.143 -2.452 -1.748 1.00 0.00 C ATOM 1481 CG PHE A 93 9.916 -1.658 -0.493 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.988 -1.247 0.286 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.633 -1.325 -0.091 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.780 -0.517 1.441 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.421 -0.597 1.065 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.496 -0.193 1.832 1.00 0.00 C ATOM 0 H PHE A 93 10.437 -4.087 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 93 11.403 -3.984 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.956 -1.997 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.250 -2.394 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.995 -1.500 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.789 -1.638 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.622 -0.200 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.416 -0.344 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.333 0.375 2.736 1.00 0.00 H new ATOM 1496 N THR A 94 8.255 -4.889 -1.334 1.00 0.00 N ATOM 1497 CA THR A 94 7.119 -5.515 -0.667 1.00 0.00 C ATOM 1498 C THR A 94 7.478 -6.902 -0.144 1.00 0.00 C ATOM 1499 O THR A 94 7.141 -7.256 0.986 1.00 0.00 O ATOM 1500 CB THR A 94 5.907 -5.633 -1.610 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.299 -6.258 -2.837 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.311 -4.264 -1.900 1.00 0.00 C ATOM 0 H THR A 94 8.118 -4.719 -2.330 1.00 0.00 H new ATOM 0 HA THR A 94 6.856 -4.872 0.173 1.00 0.00 H new ATOM 0 HB THR A 94 5.150 -6.244 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.705 -5.591 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.457 -4.373 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.986 -3.804 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.063 -3.633 -2.373 1.00 0.00 H new ATOM 1510 N THR A 95 8.163 -7.684 -0.974 1.00 0.00 N ATOM 1511 CA THR A 95 8.572 -9.032 -0.595 1.00 0.00 C ATOM 1512 C THR A 95 9.410 -9.006 0.679 1.00 0.00 C ATOM 1513 O THR A 95 9.183 -9.791 1.599 1.00 0.00 O ATOM 1514 CB THR A 95 9.377 -9.710 -1.721 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.579 -9.793 -2.908 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.828 -11.105 -1.312 1.00 0.00 C ATOM 0 H THR A 95 8.446 -7.407 -1.914 1.00 0.00 H new ATOM 0 HA THR A 95 7.664 -9.607 -0.417 1.00 0.00 H new ATOM 0 HB THR A 95 10.263 -9.105 -1.914 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.567 -8.921 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.393 -11.558 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.459 -11.038 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.955 -11.719 -1.091 1.00 0.00 H new ATOM 1524 N THR A 96 10.376 -8.097 0.723 1.00 0.00 N ATOM 1525 CA THR A 96 11.247 -7.957 1.884 1.00 0.00 C ATOM 1526 C THR A 96 10.481 -7.364 3.063 1.00 0.00 C ATOM 1527 O THR A 96 10.789 -7.637 4.222 1.00 0.00 O ATOM 1528 CB THR A 96 12.462 -7.066 1.562 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.189 -7.609 0.453 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.388 -6.943 2.764 1.00 0.00 C ATOM 0 H THR A 96 10.577 -7.444 -0.034 1.00 0.00 H new ATOM 0 HA THR A 96 11.602 -8.953 2.150 1.00 0.00 H new ATOM 0 HB THR A 96 12.091 -6.073 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.762 -7.333 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.236 -6.309 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.844 -6.501 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.748 -7.932 3.049 1.00 0.00 H new ATOM 1538 N LEU A 97 9.476 -6.553 2.748 1.00 0.00 N ATOM 1539 CA LEU A 97 8.650 -5.909 3.766 1.00 0.00 C ATOM 1540 C LEU A 97 7.921 -6.944 4.619 1.00 0.00 C ATOM 1541 O LEU A 97 7.751 -6.760 5.824 1.00 0.00 O ATOM 1542 CB LEU A 97 7.635 -4.972 3.103 1.00 0.00 C ATOM 1543 CG LEU A 97 7.291 -3.706 3.894 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.427 -2.776 3.056 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.583 -4.056 5.195 1.00 0.00 C ATOM 0 H LEU A 97 9.212 -6.325 1.790 1.00 0.00 H new ATOM 0 HA LEU A 97 9.305 -5.330 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.023 -4.676 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.715 -5.529 2.925 1.00 0.00 H new ATOM 0 HG LEU A 97 8.222 -3.194 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.191 -1.881 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.967 -2.494 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.503 -3.286 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.349 -3.141 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.661 -4.593 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.232 -4.685 5.805 1.00 0.00 H new ATOM 1557 N GLN A 98 7.496 -8.034 3.985 1.00 0.00 N ATOM 1558 CA GLN A 98 6.766 -9.092 4.680 1.00 0.00 C ATOM 1559 C GLN A 98 7.497 -9.539 5.941 1.00 0.00 C ATOM 1560 O GLN A 98 6.868 -9.858 6.951 1.00 0.00 O ATOM 1561 CB GLN A 98 6.552 -10.288 3.749 1.00 0.00 C ATOM 1562 CG GLN A 98 5.716 -9.963 2.522 1.00 0.00 C ATOM 1563 CD GLN A 98 4.303 -9.537 2.874 1.00 0.00 C ATOM 1564 OE1 GLN A 98 3.396 -10.365 2.959 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.111 -8.240 3.083 1.00 0.00 N ATOM 0 H GLN A 98 7.644 -8.208 2.991 1.00 0.00 H new ATOM 0 HA GLN A 98 5.798 -8.688 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.523 -10.665 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.067 -11.089 4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.201 -9.167 1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.677 -10.837 1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.892 -7.589 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.182 -7.894 3.325 1.00 0.00 H new ATOM 1574 N HIS A 99 8.822 -9.562 5.883 1.00 0.00 N ATOM 1575 CA HIS A 99 9.624 -9.961 7.032 1.00 0.00 C ATOM 1576 C HIS A 99 9.896 -8.762 7.934 1.00 0.00 C ATOM 1577 O HIS A 99 9.886 -8.875 9.161 1.00 0.00 O ATOM 1578 CB HIS A 99 10.941 -10.584 6.568 1.00 0.00 C ATOM 1579 CG HIS A 99 10.754 -11.797 5.710 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.928 -13.083 6.175 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.401 -11.914 4.408 1.00 0.00 C ATOM 1582 CE1 HIS A 99 10.687 -13.939 5.197 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.366 -13.255 4.115 1.00 0.00 N ATOM 0 H HIS A 99 9.363 -9.310 5.056 1.00 0.00 H new ATOM 0 HA HIS A 99 9.067 -10.704 7.602 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.511 -9.839 6.013 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.535 -10.854 7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.187 -11.104 3.727 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.743 -15.015 5.271 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.130 -13.657 3.208 1.00 0.00 H new ATOM 1592 N HIS A 100 10.121 -7.607 7.316 1.00 0.00 N ATOM 1593 CA HIS A 100 10.394 -6.383 8.059 1.00 0.00 C ATOM 1594 C HIS A 100 9.136 -5.876 8.754 1.00 0.00 C ATOM 1595 O HIS A 100 9.171 -4.875 9.469 1.00 0.00 O ATOM 1596 CB HIS A 100 10.949 -5.306 7.127 1.00 0.00 C ATOM 1597 CG HIS A 100 12.376 -5.533 6.735 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.353 -4.570 6.865 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.988 -6.621 6.210 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.506 -5.055 6.437 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.311 -6.296 6.035 1.00 0.00 N ATOM 0 H HIS A 100 10.120 -7.493 6.302 1.00 0.00 H new ATOM 0 HA HIS A 100 11.140 -6.610 8.821 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.336 -5.264 6.227 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.865 -4.335 7.616 1.00 0.00 H new ATOM 0 HD1 HIS A 100 13.209 -3.630 7.234 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.523 -7.567 5.973 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.447 -4.525 6.420 1.00 0.00 H new ATOM 1610 N LYS A 101 8.024 -6.572 8.534 1.00 0.00 N ATOM 1611 CA LYS A 101 6.758 -6.195 9.147 1.00 0.00 C ATOM 1612 C LYS A 101 6.824 -6.386 10.659 1.00 0.00 C ATOM 1613 O LYS A 101 6.026 -5.817 11.404 1.00 0.00 O ATOM 1614 CB LYS A 101 5.613 -7.028 8.564 1.00 0.00 C ATOM 1615 CG LYS A 101 4.236 -6.602 9.053 1.00 0.00 C ATOM 1616 CD LYS A 101 3.143 -7.520 8.526 1.00 0.00 C ATOM 1617 CE LYS A 101 3.260 -8.923 9.106 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.207 -9.832 8.574 1.00 0.00 N ATOM 0 H LYS A 101 7.976 -7.398 7.937 1.00 0.00 H new ATOM 0 HA LYS A 101 6.571 -5.143 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.641 -6.957 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.771 -8.076 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.220 -6.605 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.037 -5.579 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.167 -7.104 8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.202 -7.569 7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.244 -9.331 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.183 -8.875 10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.320 -10.777 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.268 -9.456 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.296 -9.898 7.540 1.00 0.00 H new ATOM 1632 N ASP A 102 7.787 -7.189 11.103 1.00 0.00 N ATOM 1633 CA ASP A 102 7.960 -7.459 12.526 1.00 0.00 C ATOM 1634 C ASP A 102 8.631 -6.280 13.226 1.00 0.00 C ATOM 1635 O ASP A 102 8.707 -6.237 14.454 1.00 0.00 O ATOM 1636 CB ASP A 102 8.791 -8.727 12.727 1.00 0.00 C ATOM 1637 CG ASP A 102 8.833 -9.170 14.177 1.00 0.00 C ATOM 1638 OD1 ASP A 102 7.900 -9.878 14.608 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.800 -8.808 14.879 1.00 0.00 O ATOM 0 H ASP A 102 8.458 -7.663 10.499 1.00 0.00 H new ATOM 0 HA ASP A 102 6.974 -7.605 12.966 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.376 -9.530 12.117 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.807 -8.551 12.375 1.00 0.00 H new ATOM 1644 N GLU A 103 9.113 -5.322 12.438 1.00 0.00 N ATOM 1645 CA GLU A 103 9.779 -4.145 12.986 1.00 0.00 C ATOM 1646 C GLU A 103 8.996 -2.874 12.667 1.00 0.00 C ATOM 1647 O GLU A 103 8.569 -2.154 13.571 1.00 0.00 O ATOM 1648 CB GLU A 103 11.203 -4.034 12.437 1.00 0.00 C ATOM 1649 CG GLU A 103 11.988 -2.865 13.013 1.00 0.00 C ATOM 1650 CD GLU A 103 13.386 -2.758 12.434 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.551 -2.066 11.407 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.315 -3.364 13.007 1.00 0.00 O ATOM 0 H GLU A 103 9.055 -5.338 11.420 1.00 0.00 H new ATOM 0 HA GLU A 103 9.823 -4.258 14.069 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.738 -4.960 12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.159 -3.932 11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.447 -1.939 12.820 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.055 -2.975 14.095 1.00 0.00 H new ATOM 1659 N VAL A 104 8.812 -2.602 11.376 1.00 0.00 N ATOM 1660 CA VAL A 104 8.083 -1.414 10.939 1.00 0.00 C ATOM 1661 C VAL A 104 6.684 -1.371 11.545 1.00 0.00 C ATOM 1662 O VAL A 104 6.148 -2.397 11.964 1.00 0.00 O ATOM 1663 CB VAL A 104 7.971 -1.356 9.401 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.979 -2.392 8.891 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.575 0.039 8.943 1.00 0.00 C ATOM 0 H VAL A 104 9.157 -3.188 10.616 1.00 0.00 H new ATOM 0 HA VAL A 104 8.650 -0.550 11.286 1.00 0.00 H new ATOM 0 HB VAL A 104 8.950 -1.588 8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.917 -2.332 7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.312 -3.388 9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.997 -2.198 9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.502 0.058 7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.611 0.304 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.328 0.756 9.268 1.00 0.00 H new ATOM 1675 N ALA A 105 6.098 -0.178 11.587 1.00 0.00 N ATOM 1676 CA ALA A 105 4.762 0.002 12.138 1.00 0.00 C ATOM 1677 C ALA A 105 3.753 -0.908 11.447 1.00 0.00 C ATOM 1678 O ALA A 105 3.393 -0.687 10.291 1.00 0.00 O ATOM 1679 CB ALA A 105 4.332 1.455 12.014 1.00 0.00 C ATOM 0 H ALA A 105 6.530 0.680 11.244 1.00 0.00 H new ATOM 0 HA ALA A 105 4.794 -0.270 13.193 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.332 1.575 12.430 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.030 2.089 12.560 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.325 1.744 10.963 1.00 0.00 H new ATOM 1685 N GLY A 106 3.305 -1.934 12.163 1.00 0.00 N ATOM 1686 CA GLY A 106 2.342 -2.866 11.605 1.00 0.00 C ATOM 1687 C GLY A 106 1.006 -2.213 11.310 1.00 0.00 C ATOM 1688 O GLY A 106 0.304 -2.615 10.383 1.00 0.00 O ATOM 0 H GLY A 106 3.592 -2.137 13.121 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.745 -3.293 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.194 -3.691 12.302 1.00 0.00 H new ATOM 1692 N ASP A 107 0.655 -1.204 12.102 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.607 -0.495 11.924 1.00 0.00 C ATOM 1694 C ASP A 107 -0.638 0.254 10.596 1.00 0.00 C ATOM 1695 O ASP A 107 -1.682 0.344 9.950 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.833 0.485 13.079 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.955 -0.216 14.416 1.00 0.00 C ATOM 1698 OD1 ASP A 107 0.085 -0.417 15.078 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.090 -0.565 14.802 1.00 0.00 O ATOM 0 H ASP A 107 1.227 -0.859 12.873 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.407 -1.235 11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.006 1.194 13.118 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.738 1.062 12.890 1.00 0.00 H new ATOM 1704 N ILE A 108 0.510 0.790 10.191 1.00 0.00 N ATOM 1705 CA ILE A 108 0.600 1.531 8.938 1.00 0.00 C ATOM 1706 C ILE A 108 0.525 0.593 7.737 1.00 0.00 C ATOM 1707 O ILE A 108 -0.264 0.810 6.816 1.00 0.00 O ATOM 1708 CB ILE A 108 1.908 2.346 8.859 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.974 3.371 9.994 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.034 3.032 7.504 1.00 0.00 C ATOM 1711 CD1 ILE A 108 0.902 4.433 9.914 1.00 0.00 C ATOM 0 H ILE A 108 1.386 0.725 10.709 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.248 2.215 8.914 1.00 0.00 H new ATOM 0 HB ILE A 108 2.747 1.659 8.971 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.887 2.850 10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.952 3.852 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.963 3.601 7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.039 2.280 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.190 3.706 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.011 5.124 10.750 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.001 4.980 8.976 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.080 3.963 9.958 1.00 0.00 H new ATOM 1723 N PHE A 109 1.340 -0.458 7.755 1.00 0.00 N ATOM 1724 CA PHE A 109 1.357 -1.423 6.661 1.00 0.00 C ATOM 1725 C PHE A 109 0.020 -2.146 6.559 1.00 0.00 C ATOM 1726 O PHE A 109 -0.378 -2.577 5.478 1.00 0.00 O ATOM 1727 CB PHE A 109 2.492 -2.434 6.835 1.00 0.00 C ATOM 1728 CG PHE A 109 2.667 -3.342 5.646 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.706 -2.821 4.360 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.783 -4.713 5.812 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.858 -3.649 3.263 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.934 -5.546 4.719 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.973 -5.013 3.443 1.00 0.00 C ATOM 0 H PHE A 109 1.994 -0.662 8.511 1.00 0.00 H new ATOM 0 HA PHE A 109 1.528 -0.873 5.736 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.424 -1.897 7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.298 -3.039 7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.616 -1.755 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.755 -5.135 6.806 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.887 -3.230 2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.022 -6.613 4.861 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.093 -5.663 2.589 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.663 -2.282 7.694 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.957 -2.953 7.735 1.00 0.00 C ATOM 1745 C ASP A 110 -2.883 -2.415 6.648 1.00 0.00 C ATOM 1746 O ASP A 110 -3.664 -3.162 6.058 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.602 -2.771 9.111 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.983 -3.388 9.190 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.075 -4.613 9.413 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.975 -2.645 9.032 1.00 0.00 O ATOM 0 H ASP A 110 -0.340 -1.935 8.597 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.796 -4.016 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.963 -3.221 9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.669 -1.707 9.340 1.00 0.00 H new ATOM 1755 N MET A 111 -2.792 -1.114 6.389 1.00 0.00 N ATOM 1756 CA MET A 111 -3.611 -0.482 5.361 1.00 0.00 C ATOM 1757 C MET A 111 -3.114 -0.883 3.975 1.00 0.00 C ATOM 1758 O MET A 111 -3.900 -1.193 3.080 1.00 0.00 O ATOM 1759 CB MET A 111 -3.577 1.042 5.521 1.00 0.00 C ATOM 1760 CG MET A 111 -4.386 1.796 4.476 1.00 0.00 C ATOM 1761 SD MET A 111 -3.487 2.040 2.930 1.00 0.00 S ATOM 1762 CE MET A 111 -2.100 3.028 3.491 1.00 0.00 C ATOM 0 H MET A 111 -2.160 -0.478 6.876 1.00 0.00 H new ATOM 0 HA MET A 111 -4.641 -0.820 5.473 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.952 1.301 6.511 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.541 1.378 5.475 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.306 1.249 4.272 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.675 2.767 4.879 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.615 3.494 2.633 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.456 3.801 4.172 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.385 2.390 4.009 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.795 -0.882 3.819 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.162 -1.241 2.554 1.00 0.00 C ATOM 1774 C LEU A 112 -1.407 -2.707 2.209 1.00 0.00 C ATOM 1775 O LEU A 112 -1.348 -3.094 1.045 1.00 0.00 O ATOM 1776 CB LEU A 112 0.341 -0.961 2.622 1.00 0.00 C ATOM 1777 CG LEU A 112 0.721 0.513 2.779 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.210 0.653 3.048 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.328 1.302 1.539 1.00 0.00 C ATOM 0 H LEU A 112 -1.138 -0.635 4.559 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.607 -0.631 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.761 -1.519 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.808 -1.346 1.715 1.00 0.00 H new ATOM 0 HG LEU A 112 0.176 0.919 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.462 1.708 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.466 0.122 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.772 0.230 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.606 2.348 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.845 0.895 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.749 1.229 1.388 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.687 -3.516 3.228 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.936 -4.943 3.031 1.00 0.00 C ATOM 1793 C LEU A 113 -2.969 -5.174 1.935 1.00 0.00 C ATOM 1794 O LEU A 113 -2.974 -6.221 1.287 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.400 -5.598 4.335 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.286 -5.907 5.337 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.872 -6.413 6.646 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.317 -6.928 4.760 1.00 0.00 C ATOM 0 H LEU A 113 -1.747 -3.208 4.199 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.997 -5.402 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.127 -4.943 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.918 -6.526 4.093 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.739 -4.986 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.065 -6.628 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.528 -5.652 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.444 -7.322 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.468 -7.135 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.853 -7.849 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.128 -6.532 3.847 1.00 0.00 H new ATOM 1810 N THR A 114 -3.847 -4.194 1.740 1.00 0.00 N ATOM 1811 CA THR A 114 -4.887 -4.281 0.718 1.00 0.00 C ATOM 1812 C THR A 114 -4.306 -4.509 -0.682 1.00 0.00 C ATOM 1813 O THR A 114 -5.051 -4.597 -1.658 1.00 0.00 O ATOM 1814 CB THR A 114 -5.746 -3.005 0.695 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.924 -1.866 0.409 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.454 -2.802 2.026 1.00 0.00 C ATOM 0 H THR A 114 -3.859 -3.328 2.278 1.00 0.00 H new ATOM 0 HA THR A 114 -5.505 -5.139 0.983 1.00 0.00 H new ATOM 0 HB THR A 114 -6.499 -3.116 -0.085 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.517 -1.539 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.055 -1.893 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.101 -3.656 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.714 -2.711 2.821 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.979 -4.603 -0.782 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.324 -4.827 -2.067 1.00 0.00 C ATOM 1826 C PHE A 115 -2.707 -6.188 -2.642 1.00 0.00 C ATOM 1827 O PHE A 115 -2.847 -6.341 -3.856 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.799 -4.754 -1.920 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.246 -3.358 -1.814 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.749 -2.330 -2.597 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.792 -3.078 -0.936 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.230 -1.053 -2.506 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.312 -1.802 -0.840 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.801 -0.789 -1.625 1.00 0.00 C ATOM 0 H PHE A 115 -2.341 -4.527 0.010 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.658 -4.044 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.505 -5.315 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.340 -5.248 -2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.556 -2.530 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.198 -3.867 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.630 -0.262 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.118 -1.597 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.206 0.209 -1.551 1.00 0.00 H new ATOM 1844 N THR A 116 -2.877 -7.171 -1.762 1.00 0.00 N ATOM 1845 CA THR A 116 -3.238 -8.521 -2.184 1.00 0.00 C ATOM 1846 C THR A 116 -4.140 -9.202 -1.159 1.00 0.00 C ATOM 1847 O THR A 116 -4.988 -10.020 -1.514 1.00 0.00 O ATOM 1848 CB THR A 116 -1.987 -9.395 -2.402 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.175 -9.391 -1.221 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.172 -8.896 -3.586 1.00 0.00 C ATOM 0 H THR A 116 -2.771 -7.058 -0.754 1.00 0.00 H new ATOM 0 HA THR A 116 -3.776 -8.419 -3.127 1.00 0.00 H new ATOM 0 HB THR A 116 -2.316 -10.412 -2.614 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.383 -9.950 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.295 -9.530 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.783 -8.930 -4.488 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.853 -7.870 -3.402 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.951 -8.861 0.113 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.744 -9.448 1.189 1.00 0.00 C ATOM 1860 C ASP A 117 -6.215 -9.059 1.061 1.00 0.00 C ATOM 1861 O ASP A 117 -6.647 -8.039 1.600 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.205 -9.004 2.552 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.768 -9.828 3.693 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.304 -10.972 3.884 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.670 -9.331 4.396 1.00 0.00 O ATOM 0 H ASP A 117 -3.256 -8.182 0.424 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.666 -10.532 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.118 -9.083 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.449 -7.954 2.711 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.977 -9.880 0.345 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.399 -9.626 0.143 1.00 0.00 C ATOM 1872 C PHE A 118 -9.142 -9.589 1.475 1.00 0.00 C ATOM 1873 O PHE A 118 -10.210 -8.987 1.585 1.00 0.00 O ATOM 1874 CB PHE A 118 -9.007 -10.700 -0.762 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.438 -10.433 -1.131 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.749 -9.534 -2.138 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.472 -11.077 -0.469 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -12.064 -9.282 -2.479 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.790 -10.829 -0.806 1.00 0.00 C ATOM 1880 CZ PHE A 118 -13.086 -9.930 -1.813 1.00 0.00 C ATOM 0 H PHE A 118 -6.633 -10.728 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.503 -8.653 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.413 -10.775 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.944 -11.665 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.954 -9.024 -2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.246 -11.780 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.293 -8.579 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.587 -11.337 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 118 -14.114 -9.734 -2.079 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.569 -10.237 2.483 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.176 -10.276 3.809 1.00 0.00 C ATOM 1892 C LEU A 119 -9.189 -8.884 4.431 1.00 0.00 C ATOM 1893 O LEU A 119 -10.179 -8.472 5.035 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.409 -11.252 4.711 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.242 -11.957 5.791 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -9.807 -10.954 6.786 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -10.364 -12.769 5.155 1.00 0.00 C ATOM 0 H LEU A 119 -7.686 -10.742 2.408 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.205 -10.620 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.946 -12.012 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.601 -10.708 5.200 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.586 -12.637 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.393 -11.480 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.989 -10.420 7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.445 -10.242 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.944 -13.262 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -11.014 -12.106 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.938 -13.521 4.491 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.084 -8.161 4.273 1.00 0.00 N ATOM 1910 CA ALA A 120 -7.964 -6.816 4.821 1.00 0.00 C ATOM 1911 C ALA A 120 -8.739 -5.811 3.978 1.00 0.00 C ATOM 1912 O ALA A 120 -9.252 -4.820 4.491 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.502 -6.413 4.917 1.00 0.00 C ATOM 0 H ALA A 120 -7.259 -8.486 3.769 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.393 -6.818 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.428 -5.406 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.974 -7.110 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.053 -6.433 3.924 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.816 -6.079 2.679 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.525 -5.205 1.753 1.00 0.00 C ATOM 1921 C PHE A 121 -11.023 -5.207 2.053 1.00 0.00 C ATOM 1922 O PHE A 121 -11.634 -4.152 2.244 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.271 -5.664 0.312 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.561 -4.619 -0.731 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.087 -3.324 -0.589 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.299 -4.939 -1.858 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.346 -2.368 -1.552 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.560 -3.987 -2.826 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.083 -2.700 -2.672 1.00 0.00 C ATOM 0 H PHE A 121 -8.394 -6.899 2.243 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.154 -4.187 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.230 -5.973 0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.884 -6.542 0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.509 -3.060 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.675 -5.944 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.973 -1.362 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.136 -4.249 -3.701 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.286 -1.954 -3.426 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.604 -6.401 2.102 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.027 -6.553 2.384 1.00 0.00 C ATOM 1941 C LYS A 122 -13.359 -6.055 3.786 1.00 0.00 C ATOM 1942 O LYS A 122 -14.334 -5.329 3.983 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.441 -8.020 2.239 1.00 0.00 C ATOM 1944 CG LYS A 122 -14.916 -8.268 2.511 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.263 -9.744 2.401 1.00 0.00 C ATOM 1946 CE LYS A 122 -16.743 -9.989 2.648 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.085 -11.437 2.589 1.00 0.00 N ATOM 0 H LYS A 122 -11.110 -7.280 1.950 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.583 -5.952 1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.205 -8.357 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.847 -8.625 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.169 -7.907 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.518 -7.698 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.993 -10.109 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.674 -10.312 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.019 -9.591 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.329 -9.447 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.103 -11.561 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.846 -11.812 1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.545 -11.951 3.314 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.541 -6.449 4.758 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.746 -6.045 6.144 1.00 0.00 C ATOM 1963 C GLU A 123 -12.617 -4.532 6.295 1.00 0.00 C ATOM 1964 O GLU A 123 -13.237 -3.930 7.172 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.741 -6.750 7.058 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.936 -6.443 8.535 1.00 0.00 C ATOM 1967 CD GLU A 123 -10.949 -7.180 9.419 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -9.843 -6.647 9.646 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -11.282 -8.289 9.885 1.00 0.00 O ATOM 0 H GLU A 123 -11.729 -7.048 4.610 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.755 -6.336 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.819 -7.827 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.732 -6.459 6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.832 -5.370 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.951 -6.712 8.827 1.00 0.00 H new ATOM 1976 N MET A 124 -11.808 -3.923 5.433 1.00 0.00 N ATOM 1977 CA MET A 124 -11.597 -2.479 5.470 1.00 0.00 C ATOM 1978 C MET A 124 -12.879 -1.733 5.121 1.00 0.00 C ATOM 1979 O MET A 124 -13.262 -0.786 5.809 1.00 0.00 O ATOM 1980 CB MET A 124 -10.481 -2.078 4.502 1.00 0.00 C ATOM 1981 CG MET A 124 -10.188 -0.586 4.493 1.00 0.00 C ATOM 1982 SD MET A 124 -8.859 -0.148 3.354 1.00 0.00 S ATOM 1983 CE MET A 124 -9.582 -0.628 1.788 1.00 0.00 C ATOM 0 H MET A 124 -11.288 -4.406 4.701 1.00 0.00 H new ATOM 0 HA MET A 124 -11.303 -2.207 6.484 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.571 -2.617 4.767 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.755 -2.392 3.495 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.092 -0.043 4.217 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.919 -0.266 5.500 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.000 -0.200 0.972 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.580 -1.715 1.704 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.607 -0.262 1.733 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.537 -2.160 4.048 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.776 -1.525 3.615 1.00 0.00 C ATOM 1995 C PHE A 125 -15.885 -1.709 4.646 1.00 0.00 C ATOM 1996 O PHE A 125 -16.639 -0.779 4.928 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.219 -2.086 2.264 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.300 -1.724 1.133 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.004 -0.397 0.859 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.733 -2.708 0.341 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.161 -0.061 -0.182 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.890 -2.379 -0.700 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.603 -1.053 -0.962 1.00 0.00 C ATOM 0 H PHE A 125 -13.234 -2.940 3.465 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.583 -0.457 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.285 -3.172 2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.221 -1.720 2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.438 0.383 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.954 -3.746 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.939 0.976 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.455 -3.157 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.943 -0.793 -1.776 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.982 -2.911 5.207 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.002 -3.203 6.210 1.00 0.00 C ATOM 2015 C LEU A 126 -16.828 -2.319 7.443 1.00 0.00 C ATOM 2016 O LEU A 126 -17.805 -1.820 8.002 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.952 -4.681 6.611 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.882 -5.605 5.818 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.520 -5.600 4.340 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.826 -7.020 6.374 1.00 0.00 C ATOM 0 H LEU A 126 -15.369 -3.696 4.985 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.976 -2.989 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.928 -5.037 6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.201 -4.762 7.669 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.901 -5.231 5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.194 -6.263 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.613 -4.588 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.494 -5.945 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.492 -7.663 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.806 -7.399 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.139 -7.013 7.418 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.581 -2.125 7.860 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.282 -1.300 9.026 1.00 0.00 C ATOM 2034 C ASP A 127 -15.458 0.181 8.703 1.00 0.00 C ATOM 2035 O ASP A 127 -15.812 0.980 9.572 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.857 -1.566 9.515 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.486 -0.720 10.717 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.792 -1.136 11.855 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -12.888 0.360 10.522 1.00 0.00 O ATOM 0 H ASP A 127 -14.760 -2.528 7.408 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.982 -1.565 9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.756 -2.620 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.156 -1.367 8.705 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.211 0.541 7.447 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.341 1.925 7.008 1.00 0.00 C ATOM 2046 C TYR A 128 -16.805 2.357 6.993 1.00 0.00 C ATOM 2047 O TYR A 128 -17.145 3.443 7.461 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.731 2.099 5.615 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.714 3.532 5.132 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -13.723 4.412 5.548 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.688 4.005 4.261 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -13.702 5.722 5.110 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.673 5.314 3.817 1.00 0.00 C ATOM 2054 CZ TYR A 128 -14.678 6.168 4.246 1.00 0.00 C ATOM 2055 OH TYR A 128 -14.660 7.472 3.807 1.00 0.00 O ATOM 0 H TYR A 128 -14.920 -0.107 6.716 1.00 0.00 H new ATOM 0 HA TYR A 128 -14.803 2.556 7.715 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.710 1.716 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.292 1.492 4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -12.956 4.066 6.225 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.469 3.339 3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -12.924 6.393 5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.436 5.666 3.138 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.416 7.624 3.203 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.666 1.498 6.455 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.093 1.792 6.380 1.00 0.00 C ATOM 2067 C ARG A 129 -19.708 1.858 7.774 1.00 0.00 C ATOM 2068 O ARG A 129 -20.535 2.724 8.057 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.812 0.732 5.542 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.305 0.981 5.396 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.972 -0.101 4.561 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.410 0.118 4.426 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.188 -0.578 3.602 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.671 -1.535 2.845 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.487 -0.317 3.537 1.00 0.00 N ATOM 0 H ARG A 129 -17.400 0.594 6.065 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.213 2.764 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.360 0.696 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.658 -0.246 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.767 1.017 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.469 1.953 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.515 -0.128 3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.795 -1.074 5.020 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.842 0.846 4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.673 -1.740 2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.271 -2.067 2.214 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.889 0.418 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.083 -0.851 2.905 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.301 0.935 8.638 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.811 0.887 10.002 1.00 0.00 C ATOM 2091 C ALA A 130 -19.456 2.159 10.763 1.00 0.00 C ATOM 2092 O ALA A 130 -20.230 2.633 11.595 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.261 -0.333 10.725 1.00 0.00 C ATOM 0 H ALA A 130 -18.619 0.210 8.417 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.897 0.812 9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.649 -0.358 11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.567 -1.237 10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.173 -0.280 10.753 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.281 2.707 10.471 1.00 0.00 N ATOM 2100 CA GLU A 131 -17.820 3.922 11.124 1.00 0.00 C ATOM 2101 C GLU A 131 -18.693 5.113 10.743 1.00 0.00 C ATOM 2102 O GLU A 131 -18.823 6.070 11.507 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.365 4.192 10.744 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.760 5.389 11.453 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.758 5.236 12.961 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.806 4.629 13.495 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.709 5.725 13.609 1.00 0.00 O ATOM 0 H GLU A 131 -17.631 2.326 9.784 1.00 0.00 H new ATOM 0 HA GLU A 131 -17.892 3.783 12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -15.770 3.308 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.304 4.350 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -14.737 5.533 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.318 6.286 11.184 1.00 0.00 H new