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= -0.141 K(o=-0.14,f=-1.2) USER MOD Set 1.2: A 83 GLN : amide:sc= 0 K(o=-0.14,f=-1.2) USER MOD Set 2.1: A 45 MET CE :methyl 158:sc= -0.169 (180deg=-0.758) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 114 THR OG1 : rot -83:sc= 0.294 USER MOD Set 2.4: A 124 MET CE :methyl 159:sc= -0.193 (180deg=-0.785) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 141:sc= -0.118 (180deg=-0.555) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0174 (180deg=-0.235) USER MOD Single : A 48 TYR OH : rot 100:sc= -0.47 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.515 K(o=-0.52,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0372 (180deg=-0.298) 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= -0.293 K(o=-0.29,f=-0.86) USER MOD Single : A 71 SER OG : rot 78:sc= 0.199 USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -0.0685 (180deg=-0.437) USER MOD Single : A 76 TYR OH : rot 34:sc= 1.24 USER MOD Single : A 89 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.37) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -81:sc= 1.17 USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.959 USER MOD Single : A 96 THR OG1 : rot 84:sc= 0.654 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 99 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-3.9!) USER MOD Single : A 100 HIS : no HD1:sc= -0.391 K(o=-0.39,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -168:sc= -0.907 (180deg=-1.31!) 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 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.653 1.648 5.867 1.00 0.00 N ATOM 243 CA ALA A 19 18.998 2.951 5.882 1.00 0.00 C ATOM 244 C ALA A 19 18.024 3.093 4.718 1.00 0.00 C ATOM 245 O ALA A 19 17.091 3.895 4.773 1.00 0.00 O ATOM 246 CB ALA A 19 20.037 4.061 5.840 1.00 0.00 C ATOM 0 HA ALA A 19 18.428 3.032 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.536 5.029 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.691 3.980 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.630 3.970 4.930 1.00 0.00 H new ATOM 252 N GLU A 20 18.250 2.313 3.665 1.00 0.00 N ATOM 253 CA GLU A 20 17.398 2.353 2.481 1.00 0.00 C ATOM 254 C GLU A 20 15.938 2.088 2.842 1.00 0.00 C ATOM 255 O GLU A 20 15.039 2.784 2.371 1.00 0.00 O ATOM 256 CB GLU A 20 17.875 1.323 1.455 1.00 0.00 C ATOM 257 CG GLU A 20 17.035 1.287 0.187 1.00 0.00 C ATOM 258 CD GLU A 20 17.049 2.606 -0.561 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.187 3.463 -0.271 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.920 2.782 -1.438 1.00 0.00 O ATOM 0 H GLU A 20 19.018 1.644 3.608 1.00 0.00 H new ATOM 0 HA GLU A 20 17.467 3.352 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.909 1.541 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.866 0.335 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.406 0.499 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.007 1.030 0.444 1.00 0.00 H new ATOM 267 N PHE A 21 15.709 1.081 3.679 1.00 0.00 N ATOM 268 CA PHE A 21 14.355 0.730 4.097 1.00 0.00 C ATOM 269 C PHE A 21 13.694 1.896 4.828 1.00 0.00 C ATOM 270 O PHE A 21 12.578 2.295 4.494 1.00 0.00 O ATOM 271 CB PHE A 21 14.378 -0.508 4.996 1.00 0.00 C ATOM 272 CG PHE A 21 13.016 -1.090 5.253 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.204 -0.576 6.251 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.549 -2.152 4.494 1.00 0.00 C ATOM 275 CE1 PHE A 21 10.950 -1.109 6.486 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.297 -2.689 4.725 1.00 0.00 C ATOM 277 CZ PHE A 21 10.496 -2.166 5.723 1.00 0.00 C ATOM 0 H PHE A 21 16.441 0.495 4.081 1.00 0.00 H new ATOM 0 HA PHE A 21 13.772 0.507 3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.008 -1.269 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.838 -0.246 5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.554 0.250 6.852 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.171 -2.564 3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.326 -0.699 7.266 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.945 -3.516 4.127 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.517 -2.584 5.905 1.00 0.00 H new ATOM 287 N ASP A 22 14.391 2.434 5.824 1.00 0.00 N ATOM 288 CA ASP A 22 13.873 3.554 6.606 1.00 0.00 C ATOM 289 C ASP A 22 13.514 4.729 5.702 1.00 0.00 C ATOM 290 O ASP A 22 12.554 5.454 5.962 1.00 0.00 O ATOM 291 CB ASP A 22 14.900 3.994 7.650 1.00 0.00 C ATOM 292 CG ASP A 22 15.266 2.877 8.608 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.519 2.666 9.586 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.299 2.213 8.379 1.00 0.00 O ATOM 0 H ASP A 22 15.316 2.113 6.110 1.00 0.00 H new ATOM 0 HA ASP A 22 12.969 3.221 7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.800 4.345 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.502 4.837 8.214 1.00 0.00 H new ATOM 299 N ALA A 23 14.292 4.910 4.640 1.00 0.00 N ATOM 300 CA ALA A 23 14.057 5.996 3.695 1.00 0.00 C ATOM 301 C ALA A 23 12.682 5.869 3.050 1.00 0.00 C ATOM 302 O ALA A 23 11.900 6.821 3.035 1.00 0.00 O ATOM 303 CB ALA A 23 15.142 6.010 2.629 1.00 0.00 C ATOM 0 H ALA A 23 15.091 4.318 4.412 1.00 0.00 H new ATOM 0 HA ALA A 23 14.089 6.938 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.955 6.825 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.114 6.153 3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.136 5.062 2.091 1.00 0.00 H new ATOM 309 N VAL A 24 12.394 4.684 2.518 1.00 0.00 N ATOM 310 CA VAL A 24 11.114 4.427 1.869 1.00 0.00 C ATOM 311 C VAL A 24 9.951 4.657 2.830 1.00 0.00 C ATOM 312 O VAL A 24 8.947 5.265 2.464 1.00 0.00 O ATOM 313 CB VAL A 24 11.036 2.990 1.324 1.00 0.00 C ATOM 314 CG1 VAL A 24 9.783 2.802 0.482 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.284 2.655 0.521 1.00 0.00 C ATOM 0 H VAL A 24 13.031 3.887 2.524 1.00 0.00 H new ATOM 0 HA VAL A 24 11.039 5.127 1.037 1.00 0.00 H new ATOM 0 HB VAL A 24 10.981 2.304 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.747 1.779 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.901 2.995 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.801 3.497 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.211 1.635 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.374 3.346 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.163 2.743 1.160 1.00 0.00 H new ATOM 325 N VAL A 25 10.095 4.164 4.060 1.00 0.00 N ATOM 326 CA VAL A 25 9.054 4.319 5.070 1.00 0.00 C ATOM 327 C VAL A 25 8.678 5.786 5.241 1.00 0.00 C ATOM 328 O VAL A 25 7.501 6.125 5.373 1.00 0.00 O ATOM 329 CB VAL A 25 9.494 3.749 6.433 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.400 3.941 7.473 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.859 2.278 6.303 1.00 0.00 C ATOM 0 H VAL A 25 10.920 3.656 4.378 1.00 0.00 H new ATOM 0 HA VAL A 25 8.187 3.758 4.720 1.00 0.00 H new ATOM 0 HB VAL A 25 10.378 4.294 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.730 3.532 8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.189 5.004 7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.496 3.424 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.167 1.892 7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.993 1.718 5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.678 2.168 5.593 1.00 0.00 H new ATOM 341 N GLY A 26 9.686 6.652 5.239 1.00 0.00 N ATOM 342 CA GLY A 26 9.443 8.073 5.389 1.00 0.00 C ATOM 343 C GLY A 26 8.616 8.637 4.251 1.00 0.00 C ATOM 344 O GLY A 26 7.666 9.387 4.479 1.00 0.00 O ATOM 0 H GLY A 26 10.667 6.394 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.929 8.254 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.396 8.599 5.438 1.00 0.00 H new ATOM 348 N TYR A 27 8.974 8.271 3.023 1.00 0.00 N ATOM 349 CA TYR A 27 8.254 8.744 1.846 1.00 0.00 C ATOM 350 C TYR A 27 6.822 8.221 1.841 1.00 0.00 C ATOM 351 O TYR A 27 5.929 8.841 1.265 1.00 0.00 O ATOM 352 CB TYR A 27 8.976 8.313 0.567 1.00 0.00 C ATOM 353 CG TYR A 27 10.378 8.873 0.442 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.616 10.237 0.564 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.462 8.036 0.203 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.894 10.750 0.451 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.742 8.544 0.090 1.00 0.00 C ATOM 358 CZ TYR A 27 12.952 9.900 0.216 1.00 0.00 C ATOM 359 OH TYR A 27 14.227 10.407 0.104 1.00 0.00 O ATOM 0 H TYR A 27 9.757 7.650 2.818 1.00 0.00 H new ATOM 0 HA TYR A 27 8.224 9.833 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.025 7.225 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.389 8.630 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.789 10.906 0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.301 6.973 0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.063 11.812 0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.574 7.881 -0.096 1.00 0.00 H new ATOM 0 HH TYR A 27 14.857 9.675 -0.060 1.00 0.00 H new ATOM 369 N LEU A 28 6.610 7.076 2.486 1.00 0.00 N ATOM 370 CA LEU A 28 5.282 6.476 2.559 1.00 0.00 C ATOM 371 C LEU A 28 4.355 7.313 3.433 1.00 0.00 C ATOM 372 O LEU A 28 3.226 7.614 3.045 1.00 0.00 O ATOM 373 CB LEU A 28 5.367 5.048 3.105 1.00 0.00 C ATOM 374 CG LEU A 28 6.041 4.035 2.176 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.206 2.697 2.880 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.238 3.867 0.895 1.00 0.00 C ATOM 0 H LEU A 28 7.339 6.547 2.964 1.00 0.00 H new ATOM 0 HA LEU A 28 4.872 6.444 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.911 5.069 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.358 4.700 3.326 1.00 0.00 H new ATOM 0 HG LEU A 28 7.029 4.413 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.687 1.988 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.823 2.827 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.227 2.315 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.733 3.143 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.236 3.512 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.168 4.826 0.381 1.00 0.00 H new ATOM 388 N GLU A 29 4.842 7.690 4.612 1.00 0.00 N ATOM 389 CA GLU A 29 4.057 8.495 5.542 1.00 0.00 C ATOM 390 C GLU A 29 3.682 9.835 4.919 1.00 0.00 C ATOM 391 O GLU A 29 2.574 10.335 5.120 1.00 0.00 O ATOM 392 CB GLU A 29 4.839 8.726 6.836 1.00 0.00 C ATOM 393 CG GLU A 29 5.141 7.447 7.600 1.00 0.00 C ATOM 394 CD GLU A 29 6.005 7.687 8.823 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.443 7.997 9.894 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.242 7.561 8.710 1.00 0.00 O ATOM 0 H GLU A 29 5.776 7.451 4.946 1.00 0.00 H new ATOM 0 HA GLU A 29 3.141 7.950 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.777 9.228 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.271 9.398 7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.204 6.982 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.644 6.743 6.937 1.00 0.00 H new ATOM 403 N ASP A 30 4.612 10.412 4.166 1.00 0.00 N ATOM 404 CA ASP A 30 4.382 11.695 3.512 1.00 0.00 C ATOM 405 C ASP A 30 3.207 11.607 2.544 1.00 0.00 C ATOM 406 O ASP A 30 2.474 12.577 2.352 1.00 0.00 O ATOM 407 CB ASP A 30 5.639 12.143 2.767 1.00 0.00 C ATOM 408 CG ASP A 30 5.461 13.486 2.085 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.723 14.520 2.735 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.061 13.503 0.903 1.00 0.00 O ATOM 0 H ASP A 30 5.534 10.011 3.993 1.00 0.00 H new ATOM 0 HA ASP A 30 4.143 12.430 4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.471 12.202 3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.903 11.393 2.022 1.00 0.00 H new ATOM 415 N ILE A 31 3.034 10.437 1.937 1.00 0.00 N ATOM 416 CA ILE A 31 1.951 10.221 0.987 1.00 0.00 C ATOM 417 C ILE A 31 0.635 9.941 1.706 1.00 0.00 C ATOM 418 O ILE A 31 -0.411 10.462 1.327 1.00 0.00 O ATOM 419 CB ILE A 31 2.264 9.050 0.032 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.551 9.330 -0.748 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.102 8.814 -0.922 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.053 8.139 -1.536 1.00 0.00 C ATOM 0 H ILE A 31 3.631 9.624 2.087 1.00 0.00 H new ATOM 0 HA ILE A 31 1.854 11.137 0.405 1.00 0.00 H new ATOM 0 HB ILE A 31 2.408 8.147 0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.378 10.161 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.327 9.647 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.341 7.985 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.205 8.574 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.927 9.714 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.967 8.411 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.258 7.313 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.295 7.835 -2.258 1.00 0.00 H new ATOM 434 N ILE A 32 0.694 9.115 2.746 1.00 0.00 N ATOM 435 CA ILE A 32 -0.496 8.764 3.513 1.00 0.00 C ATOM 436 C ILE A 32 -1.149 10.001 4.122 1.00 0.00 C ATOM 437 O ILE A 32 -2.366 10.045 4.308 1.00 0.00 O ATOM 438 CB ILE A 32 -0.165 7.758 4.635 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.397 6.466 4.036 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.402 7.464 5.474 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.908 5.486 5.070 1.00 0.00 C ATOM 0 H ILE A 32 1.553 8.676 3.077 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.195 8.301 2.816 1.00 0.00 H new ATOM 0 HB ILE A 32 0.590 8.199 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.380 5.983 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.209 6.716 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.148 6.753 6.260 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.764 8.388 5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.180 7.041 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.290 4.596 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.708 5.950 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.094 5.205 5.739 1.00 0.00 H new ATOM 453 N MET A 33 -0.337 11.008 4.427 1.00 0.00 N ATOM 454 CA MET A 33 -0.843 12.241 5.018 1.00 0.00 C ATOM 455 C MET A 33 -1.003 13.333 3.964 1.00 0.00 C ATOM 456 O MET A 33 -1.362 14.467 4.282 1.00 0.00 O ATOM 457 CB MET A 33 0.094 12.718 6.128 1.00 0.00 C ATOM 458 CG MET A 33 0.280 11.702 7.242 1.00 0.00 C ATOM 459 SD MET A 33 1.434 12.258 8.510 1.00 0.00 S ATOM 460 CE MET A 33 0.584 13.709 9.128 1.00 0.00 C ATOM 0 H MET A 33 0.672 10.995 4.275 1.00 0.00 H new ATOM 0 HA MET A 33 -1.825 12.032 5.443 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.066 12.953 5.696 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.299 13.642 6.552 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.686 11.494 7.702 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.639 10.765 6.816 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.700 13.765 10.210 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.010 14.602 8.671 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.475 13.644 8.879 1.00 0.00 H new ATOM 470 N ASP A 34 -0.738 12.983 2.710 1.00 0.00 N ATOM 471 CA ASP A 34 -0.854 13.934 1.610 1.00 0.00 C ATOM 472 C ASP A 34 -2.320 14.222 1.300 1.00 0.00 C ATOM 473 O ASP A 34 -3.135 13.305 1.200 1.00 0.00 O ATOM 474 CB ASP A 34 -0.147 13.393 0.366 1.00 0.00 C ATOM 475 CG ASP A 34 -0.141 14.388 -0.777 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.776 15.234 -0.822 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.053 14.321 -1.627 1.00 0.00 O ATOM 0 H ASP A 34 -0.442 12.048 2.430 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.376 14.867 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.880 13.131 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.639 12.476 0.042 1.00 0.00 H new ATOM 482 N ASP A 35 -2.649 15.502 1.150 1.00 0.00 N ATOM 483 CA ASP A 35 -4.018 15.919 0.860 1.00 0.00 C ATOM 484 C ASP A 35 -4.531 15.283 -0.430 1.00 0.00 C ATOM 485 O ASP A 35 -5.648 14.765 -0.473 1.00 0.00 O ATOM 486 CB ASP A 35 -4.096 17.443 0.753 1.00 0.00 C ATOM 487 CG ASP A 35 -3.660 18.135 2.030 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.483 18.233 2.963 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.494 18.580 2.094 1.00 0.00 O ATOM 0 H ASP A 35 -1.983 16.271 1.225 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.650 15.581 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.468 17.779 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.119 17.736 0.515 1.00 0.00 H new ATOM 494 N GLU A 36 -3.716 15.330 -1.479 1.00 0.00 N ATOM 495 CA GLU A 36 -4.095 14.762 -2.769 1.00 0.00 C ATOM 496 C GLU A 36 -4.323 13.257 -2.652 1.00 0.00 C ATOM 497 O GLU A 36 -5.092 12.673 -3.418 1.00 0.00 O ATOM 498 CB GLU A 36 -3.010 15.051 -3.812 1.00 0.00 C ATOM 499 CG GLU A 36 -3.533 15.153 -5.236 1.00 0.00 C ATOM 500 CD GLU A 36 -4.035 13.829 -5.780 1.00 0.00 C ATOM 501 OE1 GLU A 36 -3.194 12.962 -6.099 1.00 0.00 O ATOM 502 OE2 GLU A 36 -5.267 13.660 -5.887 1.00 0.00 O ATOM 0 H GLU A 36 -2.789 15.755 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.028 15.227 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.510 15.984 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.258 14.263 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.342 15.883 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.739 15.528 -5.883 1.00 0.00 H new ATOM 509 N PHE A 37 -3.659 12.635 -1.684 1.00 0.00 N ATOM 510 CA PHE A 37 -3.787 11.198 -1.469 1.00 0.00 C ATOM 511 C PHE A 37 -5.089 10.862 -0.749 1.00 0.00 C ATOM 512 O PHE A 37 -5.761 9.889 -1.087 1.00 0.00 O ATOM 513 CB PHE A 37 -2.593 10.672 -0.670 1.00 0.00 C ATOM 514 CG PHE A 37 -2.689 9.211 -0.332 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.431 8.246 -1.292 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.038 8.803 0.947 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.520 6.901 -0.984 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.128 7.460 1.261 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.868 6.508 0.294 1.00 0.00 C ATOM 0 H PHE A 37 -3.026 13.103 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.804 10.713 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.681 10.845 -1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.504 11.244 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.157 8.548 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.242 9.543 1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.318 6.158 -1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.401 7.155 2.260 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.937 5.458 0.537 1.00 0.00 H new ATOM 529 N GLN A 38 -5.439 11.669 0.249 1.00 0.00 N ATOM 530 CA GLN A 38 -6.665 11.453 1.010 1.00 0.00 C ATOM 531 C GLN A 38 -7.893 11.727 0.150 1.00 0.00 C ATOM 532 O GLN A 38 -8.905 11.036 0.258 1.00 0.00 O ATOM 533 CB GLN A 38 -6.689 12.348 2.251 1.00 0.00 C ATOM 534 CG GLN A 38 -5.576 12.049 3.240 1.00 0.00 C ATOM 535 CD GLN A 38 -5.555 13.021 4.404 1.00 0.00 C ATOM 536 OE1 GLN A 38 -5.942 14.181 4.265 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.102 12.553 5.561 1.00 0.00 N ATOM 0 H GLN A 38 -4.892 12.476 0.549 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.687 10.410 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.615 13.390 1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.650 12.233 2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.696 11.035 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.617 12.085 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.791 11.584 5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.065 13.162 6.378 1.00 0.00 H new ATOM 546 N LEU A 39 -7.793 12.738 -0.705 1.00 0.00 N ATOM 547 CA LEU A 39 -8.894 13.109 -1.586 1.00 0.00 C ATOM 548 C LEU A 39 -9.141 12.025 -2.629 1.00 0.00 C ATOM 549 O LEU A 39 -10.279 11.615 -2.852 1.00 0.00 O ATOM 550 CB LEU A 39 -8.588 14.446 -2.271 1.00 0.00 C ATOM 551 CG LEU A 39 -9.761 15.085 -3.021 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.603 16.597 -3.063 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.866 14.526 -4.433 1.00 0.00 C ATOM 0 H LEU A 39 -6.959 13.316 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.797 13.216 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.236 15.149 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.769 14.295 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.680 14.844 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.444 17.036 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.577 16.988 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.674 16.852 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.705 14.993 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.945 14.735 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.023 13.448 -4.387 1.00 0.00 H new ATOM 565 N LEU A 40 -8.067 11.564 -3.263 1.00 0.00 N ATOM 566 CA LEU A 40 -8.164 10.531 -4.288 1.00 0.00 C ATOM 567 C LEU A 40 -8.620 9.200 -3.697 1.00 0.00 C ATOM 568 O LEU A 40 -9.544 8.568 -4.209 1.00 0.00 O ATOM 569 CB LEU A 40 -6.813 10.359 -4.993 1.00 0.00 C ATOM 570 CG LEU A 40 -6.724 9.171 -5.954 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.927 9.548 -7.193 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.091 7.972 -5.263 1.00 0.00 C ATOM 0 H LEU A 40 -7.117 11.891 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.912 10.849 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.592 11.271 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.037 10.251 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.735 8.900 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.873 8.692 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.416 10.379 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.919 9.844 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.036 7.137 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.087 8.233 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.696 7.686 -4.403 1.00 0.00 H new ATOM 584 N GLN A 41 -7.965 8.779 -2.620 1.00 0.00 N ATOM 585 CA GLN A 41 -8.294 7.516 -1.967 1.00 0.00 C ATOM 586 C GLN A 41 -9.764 7.463 -1.562 1.00 0.00 C ATOM 587 O GLN A 41 -10.481 6.532 -1.925 1.00 0.00 O ATOM 588 CB GLN A 41 -7.412 7.314 -0.733 1.00 0.00 C ATOM 589 CG GLN A 41 -7.702 6.024 0.018 1.00 0.00 C ATOM 590 CD GLN A 41 -6.842 5.864 1.253 1.00 0.00 C ATOM 591 OE1 GLN A 41 -5.754 5.291 1.196 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.325 6.372 2.380 1.00 0.00 N ATOM 0 H GLN A 41 -7.202 9.294 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.109 6.715 -2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.366 7.319 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.550 8.157 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.753 6.004 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.538 5.176 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.232 6.839 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.789 6.295 3.245 1.00 0.00 H new ATOM 601 N ARG A 42 -10.205 8.468 -0.815 1.00 0.00 N ATOM 602 CA ARG A 42 -11.587 8.530 -0.354 1.00 0.00 C ATOM 603 C ARG A 42 -12.558 8.638 -1.526 1.00 0.00 C ATOM 604 O ARG A 42 -13.630 8.035 -1.511 1.00 0.00 O ATOM 605 CB ARG A 42 -11.777 9.717 0.589 1.00 0.00 C ATOM 606 CG ARG A 42 -10.998 9.596 1.888 1.00 0.00 C ATOM 607 CD ARG A 42 -11.150 10.844 2.743 1.00 0.00 C ATOM 608 NE ARG A 42 -10.431 10.734 4.009 1.00 0.00 N ATOM 609 CZ ARG A 42 -10.300 11.737 4.872 1.00 0.00 C ATOM 610 NH1 ARG A 42 -10.824 12.923 4.598 1.00 0.00 N ATOM 611 NH2 ARG A 42 -9.641 11.556 6.009 1.00 0.00 N ATOM 0 H ARG A 42 -9.625 9.252 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.802 7.606 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.472 10.629 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.837 9.820 0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.348 8.727 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.943 9.430 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.781 11.708 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.207 11.020 2.941 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.005 9.837 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.329 13.068 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.722 13.691 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.233 10.646 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.542 12.327 6.669 1.00 0.00 H new ATOM 625 N ASN A 43 -12.174 9.409 -2.538 1.00 0.00 N ATOM 626 CA ASN A 43 -13.014 9.609 -3.716 1.00 0.00 C ATOM 627 C ASN A 43 -13.420 8.278 -4.346 1.00 0.00 C ATOM 628 O ASN A 43 -14.597 8.055 -4.634 1.00 0.00 O ATOM 629 CB ASN A 43 -12.283 10.468 -4.748 1.00 0.00 C ATOM 630 CG ASN A 43 -13.141 10.769 -5.961 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.131 10.027 -6.943 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.891 11.864 -5.897 1.00 0.00 N ATOM 0 H ASN A 43 -11.284 9.907 -2.567 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.920 10.122 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.974 11.404 -4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.375 9.955 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.490 12.118 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.868 12.450 -5.063 1.00 0.00 H new ATOM 639 N PHE A 44 -12.446 7.400 -4.554 1.00 0.00 N ATOM 640 CA PHE A 44 -12.711 6.099 -5.159 1.00 0.00 C ATOM 641 C PHE A 44 -13.374 5.145 -4.168 1.00 0.00 C ATOM 642 O PHE A 44 -14.289 4.408 -4.529 1.00 0.00 O ATOM 643 CB PHE A 44 -11.417 5.483 -5.696 1.00 0.00 C ATOM 644 CG PHE A 44 -11.008 6.028 -7.035 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.277 7.202 -7.128 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.353 5.365 -8.201 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.899 7.705 -8.358 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.978 5.862 -9.434 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.250 7.033 -9.513 1.00 0.00 C ATOM 0 H PHE A 44 -11.468 7.564 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.401 6.257 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.615 5.659 -4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.543 4.403 -5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.999 7.730 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.922 4.449 -8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.330 8.621 -8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.254 5.335 -10.336 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.956 7.423 -10.476 1.00 0.00 H new ATOM 659 N MET A 45 -12.915 5.167 -2.918 1.00 0.00 N ATOM 660 CA MET A 45 -13.470 4.294 -1.886 1.00 0.00 C ATOM 661 C MET A 45 -14.976 4.494 -1.738 1.00 0.00 C ATOM 662 O MET A 45 -15.687 3.597 -1.288 1.00 0.00 O ATOM 663 CB MET A 45 -12.776 4.536 -0.544 1.00 0.00 C ATOM 664 CG MET A 45 -11.369 3.964 -0.475 1.00 0.00 C ATOM 665 SD MET A 45 -10.618 4.148 1.154 1.00 0.00 S ATOM 666 CE MET A 45 -11.707 3.131 2.149 1.00 0.00 C ATOM 0 H MET A 45 -12.163 5.777 -2.596 1.00 0.00 H new ATOM 0 HA MET A 45 -13.292 3.265 -2.197 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.733 5.609 -0.355 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.378 4.096 0.251 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.398 2.907 -0.739 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.743 4.461 -1.217 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.188 2.823 3.057 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.596 3.703 2.416 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.000 2.248 1.581 1.00 0.00 H new ATOM 676 N ASP A 46 -15.458 5.676 -2.114 1.00 0.00 N ATOM 677 CA ASP A 46 -16.883 5.984 -2.024 1.00 0.00 C ATOM 678 C ASP A 46 -17.710 5.008 -2.854 1.00 0.00 C ATOM 679 O ASP A 46 -18.856 4.710 -2.520 1.00 0.00 O ATOM 680 CB ASP A 46 -17.154 7.417 -2.491 1.00 0.00 C ATOM 681 CG ASP A 46 -16.628 8.457 -1.520 1.00 0.00 C ATOM 682 OD1 ASP A 46 -16.982 8.386 -0.325 1.00 0.00 O ATOM 683 OD2 ASP A 46 -15.862 9.342 -1.956 1.00 0.00 O ATOM 0 H ASP A 46 -14.885 6.435 -2.483 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.177 5.887 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.693 7.570 -3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -18.227 7.556 -2.620 1.00 0.00 H new ATOM 688 N LYS A 47 -17.127 4.517 -3.943 1.00 0.00 N ATOM 689 CA LYS A 47 -17.815 3.579 -4.825 1.00 0.00 C ATOM 690 C LYS A 47 -17.490 2.134 -4.454 1.00 0.00 C ATOM 691 O LYS A 47 -18.357 1.262 -4.495 1.00 0.00 O ATOM 692 CB LYS A 47 -17.424 3.841 -6.283 1.00 0.00 C ATOM 693 CG LYS A 47 -18.576 3.693 -7.265 1.00 0.00 C ATOM 694 CD LYS A 47 -19.024 2.245 -7.394 1.00 0.00 C ATOM 695 CE LYS A 47 -20.189 2.109 -8.361 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.397 2.835 -7.879 1.00 0.00 N ATOM 0 H LYS A 47 -16.179 4.753 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.888 3.731 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.017 4.849 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.628 3.152 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.415 4.306 -6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.272 4.068 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.190 1.634 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.315 1.864 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.898 2.496 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.429 1.054 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.227 2.531 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.551 2.623 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.258 3.859 -7.999 1.00 0.00 H new ATOM 710 N TYR A 48 -16.236 1.889 -4.088 1.00 0.00 N ATOM 711 CA TYR A 48 -15.790 0.547 -3.724 1.00 0.00 C ATOM 712 C TYR A 48 -16.547 0.002 -2.515 1.00 0.00 C ATOM 713 O TYR A 48 -17.081 -1.107 -2.560 1.00 0.00 O ATOM 714 CB TYR A 48 -14.286 0.547 -3.437 1.00 0.00 C ATOM 715 CG TYR A 48 -13.423 0.577 -4.680 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.478 1.647 -5.563 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.549 -0.465 -4.967 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.691 1.679 -6.697 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.757 -0.441 -6.100 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.832 0.633 -6.961 1.00 0.00 C ATOM 721 OH TYR A 48 -11.045 0.661 -8.087 1.00 0.00 O ATOM 0 H TYR A 48 -15.509 2.603 -4.035 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.000 -0.106 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.044 1.411 -2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.037 -0.341 -2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.148 2.469 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.488 -1.307 -4.294 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.748 2.519 -7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.083 -1.259 -6.309 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.139 0.947 -7.846 1.00 0.00 H new ATOM 731 N TYR A 49 -16.597 0.782 -1.436 1.00 0.00 N ATOM 732 CA TYR A 49 -17.280 0.354 -0.217 1.00 0.00 C ATOM 733 C TYR A 49 -18.756 0.059 -0.479 1.00 0.00 C ATOM 734 O TYR A 49 -19.419 -0.594 0.328 1.00 0.00 O ATOM 735 CB TYR A 49 -17.118 1.408 0.890 1.00 0.00 C ATOM 736 CG TYR A 49 -18.303 2.335 1.065 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.505 3.412 0.211 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.214 2.138 2.096 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.581 4.264 0.380 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.293 2.984 2.270 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.472 4.044 1.409 1.00 0.00 C ATOM 742 OH TYR A 49 -21.545 4.890 1.579 1.00 0.00 O ATOM 0 H TYR A 49 -16.175 1.709 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.816 -0.573 0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.933 0.896 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.234 2.008 0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.811 3.587 -0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.076 1.308 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.723 5.098 -0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -20.992 2.815 3.076 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.076 4.595 2.348 1.00 0.00 H new ATOM 752 N LEU A 50 -19.268 0.543 -1.608 1.00 0.00 N ATOM 753 CA LEU A 50 -20.663 0.318 -1.969 1.00 0.00 C ATOM 754 C LEU A 50 -20.849 -1.055 -2.607 1.00 0.00 C ATOM 755 O LEU A 50 -21.748 -1.807 -2.233 1.00 0.00 O ATOM 756 CB LEU A 50 -21.154 1.408 -2.925 1.00 0.00 C ATOM 757 CG LEU A 50 -21.345 2.788 -2.292 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.716 3.814 -3.352 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.409 2.735 -1.207 1.00 0.00 C ATOM 0 H LEU A 50 -18.739 1.092 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.254 0.357 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.442 1.497 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.102 1.090 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.403 3.090 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.848 4.789 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.921 3.873 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.645 3.516 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.531 3.725 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.355 2.411 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.105 2.030 -0.433 1.00 0.00 H new ATOM 771 N GLU A 51 -19.993 -1.373 -3.575 1.00 0.00 N ATOM 772 CA GLU A 51 -20.062 -2.655 -4.268 1.00 0.00 C ATOM 773 C GLU A 51 -19.850 -3.813 -3.298 1.00 0.00 C ATOM 774 O GLU A 51 -20.463 -4.872 -3.438 1.00 0.00 O ATOM 775 CB GLU A 51 -19.024 -2.709 -5.392 1.00 0.00 C ATOM 776 CG GLU A 51 -19.156 -1.571 -6.391 1.00 0.00 C ATOM 777 CD GLU A 51 -18.193 -1.701 -7.554 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.031 -1.267 -7.414 1.00 0.00 O ATOM 779 OE2 GLU A 51 -18.602 -2.239 -8.605 1.00 0.00 O ATOM 0 H GLU A 51 -19.244 -0.760 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.057 -2.752 -4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.025 -2.686 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.119 -3.658 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.177 -1.543 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.979 -0.623 -5.882 1.00 0.00 H new ATOM 786 N PHE A 52 -18.979 -3.609 -2.313 1.00 0.00 N ATOM 787 CA PHE A 52 -18.699 -4.640 -1.321 1.00 0.00 C ATOM 788 C PHE A 52 -19.847 -4.754 -0.323 1.00 0.00 C ATOM 789 O PHE A 52 -19.847 -4.099 0.720 1.00 0.00 O ATOM 790 CB PHE A 52 -17.389 -4.345 -0.587 1.00 0.00 C ATOM 791 CG PHE A 52 -16.166 -4.757 -1.355 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.785 -4.069 -2.496 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.399 -5.834 -0.939 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.663 -4.446 -3.207 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.275 -6.216 -1.646 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.906 -5.521 -2.782 1.00 0.00 C ATOM 0 H PHE A 52 -18.457 -2.742 -2.182 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.597 -5.591 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.333 -3.277 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.396 -4.860 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.373 -3.228 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.683 -6.381 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.377 -3.901 -4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.686 -7.057 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.028 -5.817 -3.336 1.00 0.00 H new ATOM 806 N GLU A 53 -20.827 -5.584 -0.660 1.00 0.00 N ATOM 807 CA GLU A 53 -21.987 -5.793 0.198 1.00 0.00 C ATOM 808 C GLU A 53 -21.718 -6.916 1.195 1.00 0.00 C ATOM 809 O GLU A 53 -21.117 -7.932 0.851 1.00 0.00 O ATOM 810 CB GLU A 53 -23.216 -6.126 -0.652 1.00 0.00 C ATOM 811 CG GLU A 53 -24.483 -6.345 0.159 1.00 0.00 C ATOM 812 CD GLU A 53 -24.923 -5.099 0.903 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.585 -4.240 0.284 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.605 -4.983 2.105 1.00 0.00 O ATOM 0 H GLU A 53 -20.841 -6.125 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.179 -4.875 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.386 -5.316 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.010 -7.023 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -25.284 -6.668 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.317 -7.151 0.874 1.00 0.00 H new ATOM 821 N ASP A 54 -22.162 -6.721 2.433 1.00 0.00 N ATOM 822 CA ASP A 54 -21.973 -7.709 3.476 1.00 0.00 C ATOM 823 C ASP A 54 -22.794 -8.965 3.202 1.00 0.00 C ATOM 824 O ASP A 54 -23.982 -9.028 3.522 1.00 0.00 O ATOM 825 CB ASP A 54 -22.359 -7.105 4.823 1.00 0.00 C ATOM 826 CG ASP A 54 -23.605 -6.244 4.740 1.00 0.00 C ATOM 827 OD1 ASP A 54 -24.719 -6.796 4.870 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.468 -5.019 4.545 1.00 0.00 O ATOM 0 H ASP A 54 -22.657 -5.881 2.734 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.922 -7.999 3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.523 -7.907 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.531 -6.504 5.198 1.00 0.00 H new ATOM 833 N THR A 55 -22.151 -9.963 2.601 1.00 0.00 N ATOM 834 CA THR A 55 -22.816 -11.221 2.281 1.00 0.00 C ATOM 835 C THR A 55 -21.899 -12.411 2.548 1.00 0.00 C ATOM 836 O THR A 55 -20.773 -12.244 3.018 1.00 0.00 O ATOM 837 CB THR A 55 -23.269 -11.261 0.809 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.144 -11.068 -0.056 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.313 -10.190 0.533 1.00 0.00 C ATOM 0 H THR A 55 -21.170 -9.924 2.326 1.00 0.00 H new ATOM 0 HA THR A 55 -23.693 -11.286 2.926 1.00 0.00 H new ATOM 0 HB THR A 55 -23.713 -12.238 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.441 -11.097 -0.990 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.617 -10.239 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.181 -10.355 1.171 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.890 -9.207 0.743 1.00 0.00 H new ATOM 847 N GLU A 56 -22.388 -13.610 2.247 1.00 0.00 N ATOM 848 CA GLU A 56 -21.612 -14.829 2.456 1.00 0.00 C ATOM 849 C GLU A 56 -21.165 -15.426 1.126 1.00 0.00 C ATOM 850 O GLU A 56 -20.144 -16.109 1.053 1.00 0.00 O ATOM 851 CB GLU A 56 -22.433 -15.856 3.237 1.00 0.00 C ATOM 852 CG GLU A 56 -22.847 -15.381 4.620 1.00 0.00 C ATOM 853 CD GLU A 56 -23.567 -16.454 5.413 1.00 0.00 C ATOM 854 OE1 GLU A 56 -24.807 -16.550 5.294 1.00 0.00 O ATOM 855 OE2 GLU A 56 -22.891 -17.199 6.153 1.00 0.00 O ATOM 0 H GLU A 56 -23.318 -13.764 1.858 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.725 -14.568 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.327 -16.105 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.852 -16.773 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -21.962 -15.060 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.495 -14.510 4.522 1.00 0.00 H new ATOM 862 N GLU A 57 -21.937 -15.164 0.074 1.00 0.00 N ATOM 863 CA GLU A 57 -21.622 -15.679 -1.254 1.00 0.00 C ATOM 864 C GLU A 57 -20.680 -14.735 -1.996 1.00 0.00 C ATOM 865 O GLU A 57 -20.874 -13.519 -1.991 1.00 0.00 O ATOM 866 CB GLU A 57 -22.906 -15.877 -2.062 1.00 0.00 C ATOM 867 CG GLU A 57 -22.676 -16.491 -3.433 1.00 0.00 C ATOM 868 CD GLU A 57 -22.103 -17.893 -3.356 1.00 0.00 C ATOM 869 OE1 GLU A 57 -20.863 -18.024 -3.267 1.00 0.00 O ATOM 870 OE2 GLU A 57 -22.893 -18.860 -3.384 1.00 0.00 O ATOM 0 H GLU A 57 -22.785 -14.598 0.116 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.122 -16.640 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.586 -16.515 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.401 -14.913 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.620 -16.518 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -21.997 -15.856 -4.002 1.00 0.00 H new ATOM 877 N ASN A 58 -19.661 -15.305 -2.633 1.00 0.00 N ATOM 878 CA ASN A 58 -18.691 -14.517 -3.385 1.00 0.00 C ATOM 879 C ASN A 58 -19.180 -14.281 -4.811 1.00 0.00 C ATOM 880 O ASN A 58 -20.033 -15.014 -5.311 1.00 0.00 O ATOM 881 CB ASN A 58 -17.333 -15.221 -3.408 1.00 0.00 C ATOM 882 CG ASN A 58 -16.770 -15.443 -2.017 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.515 -15.627 -1.055 1.00 0.00 O ATOM 884 ND2 ASN A 58 -15.446 -15.422 -1.902 1.00 0.00 N ATOM 0 H ASN A 58 -19.486 -16.310 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.579 -13.552 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.434 -16.182 -3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.629 -14.627 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.011 -15.562 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.865 -15.266 -2.726 1.00 0.00 H new ATOM 891 N LYS A 59 -18.635 -13.258 -5.461 1.00 0.00 N ATOM 892 CA LYS A 59 -19.024 -12.929 -6.827 1.00 0.00 C ATOM 893 C LYS A 59 -17.798 -12.689 -7.703 1.00 0.00 C ATOM 894 O LYS A 59 -16.694 -12.478 -7.201 1.00 0.00 O ATOM 895 CB LYS A 59 -19.921 -11.690 -6.837 1.00 0.00 C ATOM 896 CG LYS A 59 -21.154 -11.824 -5.956 1.00 0.00 C ATOM 897 CD LYS A 59 -21.957 -10.532 -5.913 1.00 0.00 C ATOM 898 CE LYS A 59 -22.577 -10.213 -7.264 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.538 -11.265 -7.698 1.00 0.00 N ATOM 0 H LYS A 59 -17.924 -12.644 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.577 -13.776 -7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.340 -10.829 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.236 -11.488 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -21.783 -12.631 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -20.851 -12.098 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.743 -10.616 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.310 -9.711 -5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.090 -9.253 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.789 -10.112 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.132 -10.896 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.013 -12.098 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.141 -11.537 -6.895 1.00 0.00 H new ATOM 913 N LEU A 60 -18.002 -12.725 -9.016 1.00 0.00 N ATOM 914 CA LEU A 60 -16.918 -12.511 -9.968 1.00 0.00 C ATOM 915 C LEU A 60 -16.628 -11.023 -10.137 1.00 0.00 C ATOM 916 O LEU A 60 -15.581 -10.643 -10.660 1.00 0.00 O ATOM 917 CB LEU A 60 -17.267 -13.129 -11.326 1.00 0.00 C ATOM 918 CG LEU A 60 -17.153 -14.657 -11.411 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.729 -15.109 -11.122 1.00 0.00 C ATOM 920 CD2 LEU A 60 -18.131 -15.328 -10.455 1.00 0.00 C ATOM 0 H LEU A 60 -18.910 -12.901 -9.446 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.025 -12.997 -9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.287 -12.844 -11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.615 -12.692 -12.082 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.409 -14.958 -12.427 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.672 -16.196 -11.188 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.051 -14.665 -11.851 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.443 -14.791 -10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.032 -16.411 -10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.913 -15.017 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -19.149 -15.038 -10.713 1.00 0.00 H new ATOM 932 N ILE A 61 -17.562 -10.188 -9.692 1.00 0.00 N ATOM 933 CA ILE A 61 -17.411 -8.740 -9.799 1.00 0.00 C ATOM 934 C ILE A 61 -16.220 -8.242 -8.982 1.00 0.00 C ATOM 935 O ILE A 61 -15.702 -7.149 -9.222 1.00 0.00 O ATOM 936 CB ILE A 61 -18.691 -8.012 -9.336 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.617 -6.520 -9.674 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.908 -8.212 -7.843 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.632 -6.233 -11.160 1.00 0.00 C ATOM 0 H ILE A 61 -18.432 -10.489 -9.253 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.234 -8.515 -10.851 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.540 -8.441 -9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.457 -6.008 -9.205 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.708 -6.103 -9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.815 -7.692 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.009 -9.276 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.055 -7.812 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.577 -5.157 -11.323 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.777 -6.716 -11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.553 -6.619 -11.596 1.00 0.00 H new ATOM 951 N TYR A 62 -15.781 -9.051 -8.023 1.00 0.00 N ATOM 952 CA TYR A 62 -14.652 -8.684 -7.174 1.00 0.00 C ATOM 953 C TYR A 62 -13.336 -8.738 -7.944 1.00 0.00 C ATOM 954 O TYR A 62 -12.332 -8.178 -7.504 1.00 0.00 O ATOM 955 CB TYR A 62 -14.578 -9.601 -5.951 1.00 0.00 C ATOM 956 CG TYR A 62 -15.715 -9.400 -4.975 1.00 0.00 C ATOM 957 CD1 TYR A 62 -15.807 -8.240 -4.218 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.698 -10.368 -4.814 1.00 0.00 C ATOM 959 CE1 TYR A 62 -16.845 -8.050 -3.326 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.741 -10.184 -3.925 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.809 -9.024 -3.183 1.00 0.00 C ATOM 962 OH TYR A 62 -18.845 -8.837 -2.298 1.00 0.00 O ATOM 0 H TYR A 62 -16.188 -9.963 -7.814 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.811 -7.658 -6.841 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.576 -10.639 -6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.633 -9.430 -5.435 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.055 -7.473 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.647 -11.279 -5.392 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.900 -7.142 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.499 -10.945 -3.812 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.438 -9.617 -2.319 1.00 0.00 H new ATOM 972 N THR A 63 -13.341 -9.410 -9.092 1.00 0.00 N ATOM 973 CA THR A 63 -12.136 -9.524 -9.906 1.00 0.00 C ATOM 974 C THR A 63 -11.833 -8.212 -10.639 1.00 0.00 C ATOM 975 O THR A 63 -10.719 -7.697 -10.542 1.00 0.00 O ATOM 976 CB THR A 63 -12.234 -10.679 -10.922 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.595 -11.891 -10.249 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.913 -10.876 -11.649 1.00 0.00 C ATOM 0 H THR A 63 -14.160 -9.881 -9.477 1.00 0.00 H new ATOM 0 HA THR A 63 -11.317 -9.742 -9.221 1.00 0.00 H new ATOM 0 HB THR A 63 -13.000 -10.424 -11.655 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.657 -12.621 -10.900 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.008 -11.697 -12.360 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.651 -9.962 -12.182 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.132 -11.111 -10.926 1.00 0.00 H new ATOM 986 N PRO A 64 -12.807 -7.645 -11.387 1.00 0.00 N ATOM 987 CA PRO A 64 -12.602 -6.380 -12.102 1.00 0.00 C ATOM 988 C PRO A 64 -12.398 -5.214 -11.141 1.00 0.00 C ATOM 989 O PRO A 64 -11.580 -4.329 -11.391 1.00 0.00 O ATOM 990 CB PRO A 64 -13.893 -6.195 -12.903 1.00 0.00 C ATOM 991 CG PRO A 64 -14.908 -7.018 -12.189 1.00 0.00 C ATOM 992 CD PRO A 64 -14.159 -8.187 -11.619 1.00 0.00 C ATOM 0 HA PRO A 64 -11.709 -6.405 -12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.189 -5.147 -12.939 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.769 -6.527 -13.934 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.394 -6.443 -11.401 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.692 -7.350 -12.870 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.613 -8.543 -10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.141 -9.029 -12.311 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.150 -5.218 -10.041 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.038 -4.162 -9.042 1.00 0.00 C ATOM 1002 C ILE A 65 -11.632 -4.130 -8.448 1.00 0.00 C ATOM 1003 O ILE A 65 -11.042 -3.063 -8.280 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.065 -4.344 -7.904 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.490 -4.224 -8.450 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.827 -3.319 -6.803 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.556 -4.603 -7.444 1.00 0.00 C ATOM 0 H ILE A 65 -13.839 -5.937 -9.822 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.243 -3.219 -9.549 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.940 -5.340 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.660 -3.199 -8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.589 -4.861 -9.329 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.560 -3.461 -6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.823 -3.447 -6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.928 -2.314 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.541 -4.494 -7.899 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.412 -5.638 -7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.484 -3.950 -6.574 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.104 -5.310 -8.132 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.765 -5.422 -7.562 1.00 0.00 C ATOM 1021 C PHE A 66 -8.718 -4.904 -8.544 1.00 0.00 C ATOM 1022 O PHE A 66 -7.820 -4.152 -8.168 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.469 -6.878 -7.195 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.144 -7.077 -6.516 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.003 -6.835 -5.158 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.039 -7.511 -7.232 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.788 -7.021 -4.529 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -5.821 -7.700 -6.608 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.695 -7.454 -5.255 1.00 0.00 C ATOM 0 H PHE A 66 -11.583 -6.201 -8.261 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.722 -4.813 -6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.260 -7.246 -6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.497 -7.484 -8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.854 -6.497 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.131 -7.704 -8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.692 -6.828 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.969 -8.040 -7.178 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.744 -7.600 -4.765 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.848 -5.311 -9.804 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.914 -4.894 -10.845 1.00 0.00 C ATOM 1041 C ASN A 67 -7.876 -3.373 -10.970 1.00 0.00 C ATOM 1042 O ASN A 67 -6.829 -2.790 -11.245 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.305 -5.515 -12.188 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.305 -7.031 -12.145 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.544 -7.642 -11.394 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.161 -7.647 -12.952 1.00 0.00 N ATOM 0 H ASN A 67 -9.591 -5.929 -10.128 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.920 -5.242 -10.564 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.296 -5.162 -12.474 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.612 -5.176 -12.958 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.206 -8.666 -12.966 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.774 -7.101 -13.558 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.026 -2.738 -10.765 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.122 -1.287 -10.856 1.00 0.00 C ATOM 1055 C GLU A 68 -8.414 -0.625 -9.678 1.00 0.00 C ATOM 1056 O GLU A 68 -7.811 0.439 -9.821 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.588 -0.853 -10.896 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.771 0.643 -11.090 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.174 1.138 -12.393 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.877 1.092 -13.425 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -9.003 1.571 -12.383 1.00 0.00 O ATOM 0 H GLU A 68 -9.903 -3.206 -10.535 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.634 -0.970 -11.777 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.093 -1.381 -11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.073 -1.153 -9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.834 0.881 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.308 1.173 -10.258 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.492 -1.263 -8.515 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.859 -0.740 -7.309 1.00 0.00 C ATOM 1070 C TYR A 69 -6.340 -0.770 -7.443 1.00 0.00 C ATOM 1071 O TYR A 69 -5.640 0.101 -6.925 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.291 -1.560 -6.092 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.888 -0.948 -4.771 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.699 -0.009 -4.145 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.701 -1.310 -4.146 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.338 0.553 -2.936 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.333 -0.754 -2.936 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.154 0.176 -2.334 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.792 0.730 -1.129 1.00 0.00 O ATOM 0 H TYR A 69 -8.988 -2.144 -8.382 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.175 0.294 -7.174 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.374 -1.679 -6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.859 -2.558 -6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.627 0.286 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.055 -2.038 -4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.978 1.283 -2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.407 -1.046 -2.464 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.933 0.356 -0.842 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.838 -1.783 -8.137 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.405 -1.934 -8.345 1.00 0.00 C ATOM 1091 C ILE A 70 -3.886 -0.923 -9.364 1.00 0.00 C ATOM 1092 O ILE A 70 -2.857 -0.285 -9.153 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.061 -3.359 -8.822 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.610 -4.395 -7.835 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.556 -3.519 -8.994 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.994 -4.313 -6.453 1.00 0.00 C ATOM 0 H ILE A 70 -6.405 -2.514 -8.566 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.921 -1.752 -7.386 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.530 -3.524 -9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.689 -4.265 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.440 -5.393 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.334 -4.531 -9.331 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.196 -2.803 -9.733 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.059 -3.337 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.434 -5.078 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.918 -4.474 -6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.186 -3.328 -6.027 1.00 0.00 H new ATOM 1108 N SER A 71 -4.606 -0.775 -10.465 1.00 0.00 N ATOM 1109 CA SER A 71 -4.206 0.155 -11.512 1.00 0.00 C ATOM 1110 C SER A 71 -4.311 1.603 -11.039 1.00 0.00 C ATOM 1111 O SER A 71 -3.565 2.468 -11.499 1.00 0.00 O ATOM 1112 CB SER A 71 -5.068 -0.051 -12.759 1.00 0.00 C ATOM 1113 OG SER A 71 -4.939 -1.372 -13.257 1.00 0.00 O ATOM 0 H SER A 71 -5.468 -1.285 -10.658 1.00 0.00 H new ATOM 0 HA SER A 71 -3.163 -0.046 -11.758 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.112 0.150 -12.520 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.774 0.662 -13.530 1.00 0.00 H new ATOM 0 HG SER A 71 -5.476 -1.982 -12.709 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.248 1.869 -10.135 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.443 3.222 -9.619 1.00 0.00 C ATOM 1121 C LEU A 72 -4.595 3.490 -8.373 1.00 0.00 C ATOM 1122 O LEU A 72 -3.703 4.339 -8.388 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.929 3.444 -9.302 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.403 4.904 -9.270 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.814 5.647 -8.080 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.053 5.613 -10.571 1.00 0.00 C ATOM 0 H LEU A 72 -5.882 1.171 -9.745 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.119 3.922 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.522 2.907 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.144 2.992 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.488 4.900 -9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.167 6.678 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.126 5.160 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.726 5.636 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.398 6.646 -10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.973 5.597 -10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.537 5.104 -11.404 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.870 2.750 -7.301 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.161 2.932 -6.036 1.00 0.00 C ATOM 1140 C VAL A 73 -2.733 2.388 -6.067 1.00 0.00 C ATOM 1141 O VAL A 73 -1.775 3.137 -5.873 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.924 2.277 -4.869 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.220 2.544 -3.546 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.359 2.776 -4.824 1.00 0.00 C ATOM 0 H VAL A 73 -5.580 2.018 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.106 4.010 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.940 1.199 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.776 2.072 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.211 2.133 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.168 3.619 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.883 2.303 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.364 3.857 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.861 2.526 -5.759 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.593 1.086 -6.304 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.275 0.450 -6.329 1.00 0.00 C ATOM 1156 C GLU A 74 -0.319 1.191 -7.258 1.00 0.00 C ATOM 1157 O GLU A 74 0.846 1.408 -6.922 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.393 -1.011 -6.767 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.252 -1.896 -6.285 1.00 0.00 C ATOM 1160 CD GLU A 74 1.078 -1.538 -6.919 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.265 -1.837 -8.118 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.934 -0.959 -6.217 1.00 0.00 O ATOM 0 H GLU A 74 -3.372 0.451 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.871 0.490 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.335 -1.416 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.435 -1.051 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.167 -1.813 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.487 -2.937 -6.507 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.815 1.585 -8.424 1.00 0.00 N ATOM 1170 CA LYS A 75 0.005 2.292 -9.398 1.00 0.00 C ATOM 1171 C LYS A 75 0.337 3.701 -8.922 1.00 0.00 C ATOM 1172 O LYS A 75 1.415 4.220 -9.207 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.706 2.349 -10.749 1.00 0.00 C ATOM 1174 CG LYS A 75 0.110 1.760 -11.888 1.00 0.00 C ATOM 1175 CD LYS A 75 1.351 2.590 -12.186 1.00 0.00 C ATOM 1176 CE LYS A 75 0.991 3.962 -12.737 1.00 0.00 C ATOM 1177 NZ LYS A 75 0.182 3.866 -13.982 1.00 0.00 N ATOM 0 H LYS A 75 -1.779 1.427 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 75 0.940 1.743 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.652 1.813 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.944 3.387 -10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.406 0.742 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.509 1.698 -12.783 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.938 2.706 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.978 2.062 -12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.434 4.521 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.904 4.523 -12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.200 4.779 -14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.580 3.129 -14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.800 3.623 -13.740 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.593 4.318 -8.199 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.386 5.669 -7.688 1.00 0.00 C ATOM 1193 C TYR A 76 0.767 5.710 -6.686 1.00 0.00 C ATOM 1194 O TYR A 76 1.524 6.679 -6.641 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.664 6.195 -7.033 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.534 7.606 -6.503 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.697 8.703 -7.341 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.248 7.841 -5.164 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.575 9.993 -6.859 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.126 9.128 -4.676 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.291 10.200 -5.526 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.169 11.482 -5.042 1.00 0.00 O ATOM 0 H TYR A 76 -1.494 3.906 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.129 6.308 -8.533 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.476 6.162 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.942 5.532 -6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.923 8.545 -8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.119 7.004 -4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.702 10.835 -7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.902 9.293 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.788 12.073 -5.520 1.00 0.00 H new ATOM 1212 N ILE A 77 0.897 4.658 -5.885 1.00 0.00 N ATOM 1213 CA ILE A 77 1.961 4.586 -4.888 1.00 0.00 C ATOM 1214 C ILE A 77 3.321 4.377 -5.549 1.00 0.00 C ATOM 1215 O ILE A 77 4.293 5.063 -5.227 1.00 0.00 O ATOM 1216 CB ILE A 77 1.712 3.448 -3.874 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.415 3.699 -3.099 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.890 3.319 -2.916 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.025 2.558 -2.183 1.00 0.00 C ATOM 0 H ILE A 77 0.281 3.845 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 77 1.960 5.538 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 77 1.612 2.512 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.526 4.608 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.393 3.877 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.697 2.512 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.796 3.098 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.021 4.255 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.903 2.806 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.118 1.652 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.815 2.394 -1.450 1.00 0.00 H new ATOM 1231 N GLU A 78 3.379 3.427 -6.476 1.00 0.00 N ATOM 1232 CA GLU A 78 4.620 3.115 -7.177 1.00 0.00 C ATOM 1233 C GLU A 78 5.073 4.271 -8.066 1.00 0.00 C ATOM 1234 O GLU A 78 6.267 4.518 -8.210 1.00 0.00 O ATOM 1235 CB GLU A 78 4.445 1.851 -8.022 1.00 0.00 C ATOM 1236 CG GLU A 78 5.716 1.403 -8.724 1.00 0.00 C ATOM 1237 CD GLU A 78 5.500 0.180 -9.595 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.439 -0.939 -9.041 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.391 0.340 -10.829 1.00 0.00 O ATOM 0 H GLU A 78 2.581 2.859 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 78 5.390 2.948 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.090 1.043 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.671 2.029 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.095 2.220 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.481 1.184 -7.979 1.00 0.00 H new ATOM 1246 N GLU A 79 4.119 4.983 -8.654 1.00 0.00 N ATOM 1247 CA GLU A 79 4.442 6.099 -9.537 1.00 0.00 C ATOM 1248 C GLU A 79 5.003 7.282 -8.750 1.00 0.00 C ATOM 1249 O GLU A 79 6.035 7.847 -9.110 1.00 0.00 O ATOM 1250 CB GLU A 79 3.202 6.522 -10.336 1.00 0.00 C ATOM 1251 CG GLU A 79 2.203 7.361 -9.558 1.00 0.00 C ATOM 1252 CD GLU A 79 1.105 7.928 -10.436 1.00 0.00 C ATOM 1253 OE1 GLU A 79 1.289 9.040 -10.975 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.060 7.261 -10.586 1.00 0.00 O ATOM 0 H GLU A 79 3.121 4.810 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 79 5.212 5.767 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.525 7.085 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.698 5.627 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.756 6.751 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.728 8.180 -9.066 1.00 0.00 H new ATOM 1261 N GLN A 80 4.317 7.639 -7.675 1.00 0.00 N ATOM 1262 CA GLN A 80 4.730 8.761 -6.835 1.00 0.00 C ATOM 1263 C GLN A 80 6.089 8.519 -6.185 1.00 0.00 C ATOM 1264 O GLN A 80 6.828 9.466 -5.913 1.00 0.00 O ATOM 1265 CB GLN A 80 3.683 9.030 -5.753 1.00 0.00 C ATOM 1266 CG GLN A 80 2.367 9.559 -6.297 1.00 0.00 C ATOM 1267 CD GLN A 80 2.522 10.891 -7.005 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.758 10.943 -8.211 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.391 11.979 -6.255 1.00 0.00 N ATOM 0 H GLN A 80 3.469 7.168 -7.360 1.00 0.00 H new ATOM 0 HA GLN A 80 4.819 9.633 -7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.495 8.107 -5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.087 9.749 -5.040 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.945 8.831 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.657 9.668 -5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.195 11.891 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.486 12.903 -6.676 1.00 0.00 H new ATOM 1278 N LEU A 81 6.423 7.257 -5.938 1.00 0.00 N ATOM 1279 CA LEU A 81 7.696 6.922 -5.309 1.00 0.00 C ATOM 1280 C LEU A 81 8.839 6.999 -6.312 1.00 0.00 C ATOM 1281 O LEU A 81 9.926 7.485 -6.000 1.00 0.00 O ATOM 1282 CB LEU A 81 7.640 5.520 -4.695 1.00 0.00 C ATOM 1283 CG LEU A 81 6.866 5.414 -3.379 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.775 3.965 -2.930 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.527 6.265 -2.303 1.00 0.00 C ATOM 0 H LEU A 81 5.835 6.454 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 81 7.878 7.650 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.188 4.842 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.660 5.174 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 81 5.855 5.788 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.221 3.909 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.260 3.380 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.779 3.566 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.964 6.178 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.548 5.920 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.543 7.307 -2.622 1.00 0.00 H new ATOM 1297 N LEU A 82 8.576 6.525 -7.520 1.00 0.00 N ATOM 1298 CA LEU A 82 9.578 6.511 -8.577 1.00 0.00 C ATOM 1299 C LEU A 82 9.895 7.921 -9.063 1.00 0.00 C ATOM 1300 O LEU A 82 10.965 8.165 -9.621 1.00 0.00 O ATOM 1301 CB LEU A 82 9.101 5.636 -9.741 1.00 0.00 C ATOM 1302 CG LEU A 82 8.971 4.127 -9.451 1.00 0.00 C ATOM 1303 CD1 LEU A 82 10.005 3.344 -10.244 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.116 3.810 -7.967 1.00 0.00 C ATOM 0 H LEU A 82 7.671 6.142 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 82 10.496 6.089 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.131 6.006 -10.072 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.793 5.766 -10.573 1.00 0.00 H new ATOM 0 HG LEU A 82 7.969 3.829 -9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.900 2.281 -10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.852 3.515 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.005 3.674 -9.963 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.017 2.735 -7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.096 4.138 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.339 4.330 -7.406 1.00 0.00 H new ATOM 1316 N GLN A 83 8.961 8.844 -8.854 1.00 0.00 N ATOM 1317 CA GLN A 83 9.157 10.230 -9.268 1.00 0.00 C ATOM 1318 C GLN A 83 10.432 10.807 -8.655 1.00 0.00 C ATOM 1319 O GLN A 83 10.960 11.812 -9.132 1.00 0.00 O ATOM 1320 CB GLN A 83 7.955 11.087 -8.865 1.00 0.00 C ATOM 1321 CG GLN A 83 6.750 10.916 -9.774 1.00 0.00 C ATOM 1322 CD GLN A 83 5.573 11.769 -9.346 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.389 12.046 -8.160 1.00 0.00 O ATOM 1324 NE2 GLN A 83 4.769 12.193 -10.314 1.00 0.00 N ATOM 0 H GLN A 83 8.065 8.659 -8.403 1.00 0.00 H new ATOM 0 HA GLN A 83 9.255 10.244 -10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.667 10.836 -7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.252 12.136 -8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.030 11.175 -10.795 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.451 9.868 -9.782 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.960 11.939 -11.283 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.961 12.773 -10.088 1.00 0.00 H new ATOM 1333 N ARG A 84 10.921 10.165 -7.596 1.00 0.00 N ATOM 1334 CA ARG A 84 12.134 10.615 -6.922 1.00 0.00 C ATOM 1335 C ARG A 84 13.217 9.540 -6.963 1.00 0.00 C ATOM 1336 O ARG A 84 14.401 9.831 -6.790 1.00 0.00 O ATOM 1337 CB ARG A 84 11.828 10.991 -5.471 1.00 0.00 C ATOM 1338 CG ARG A 84 13.013 11.597 -4.738 1.00 0.00 C ATOM 1339 CD ARG A 84 12.648 11.985 -3.315 1.00 0.00 C ATOM 1340 NE ARG A 84 11.528 12.922 -3.274 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.237 13.679 -2.222 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.977 13.605 -1.123 1.00 0.00 N ATOM 1343 NH2 ARG A 84 10.204 14.509 -2.266 1.00 0.00 N ATOM 0 H ARG A 84 10.496 9.333 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 84 12.503 11.495 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.000 11.700 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.496 10.101 -4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.836 10.883 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.365 12.477 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.392 11.089 -2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.514 12.433 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 84 10.935 12.999 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.771 12.966 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.752 14.187 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.632 14.567 -3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.982 15.090 -1.457 1.00 0.00 H new ATOM 1357 N ILE A 85 12.805 8.295 -7.193 1.00 0.00 N ATOM 1358 CA ILE A 85 13.742 7.179 -7.253 1.00 0.00 C ATOM 1359 C ILE A 85 13.527 6.350 -8.521 1.00 0.00 C ATOM 1360 O ILE A 85 12.635 5.502 -8.567 1.00 0.00 O ATOM 1361 CB ILE A 85 13.599 6.257 -6.023 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.621 7.082 -4.732 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.711 5.217 -6.013 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.226 6.294 -3.500 1.00 0.00 C ATOM 0 H ILE A 85 11.830 8.035 -7.340 1.00 0.00 H new ATOM 0 HA ILE A 85 14.744 7.607 -7.263 1.00 0.00 H new ATOM 0 HB ILE A 85 12.642 5.739 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.622 7.488 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.946 7.931 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.599 4.573 -5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.653 4.614 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.678 5.719 -5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.265 6.943 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.213 5.910 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.916 5.461 -3.364 1.00 0.00 H new ATOM 1376 N PRO A 86 14.336 6.585 -9.573 1.00 0.00 N ATOM 1377 CA PRO A 86 14.213 5.850 -10.837 1.00 0.00 C ATOM 1378 C PRO A 86 14.763 4.433 -10.739 1.00 0.00 C ATOM 1379 O PRO A 86 14.569 3.616 -11.639 1.00 0.00 O ATOM 1380 CB PRO A 86 15.045 6.688 -11.807 1.00 0.00 C ATOM 1381 CG PRO A 86 16.086 7.321 -10.950 1.00 0.00 C ATOM 1382 CD PRO A 86 15.429 7.578 -9.620 1.00 0.00 C ATOM 0 HA PRO A 86 13.174 5.725 -11.143 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.493 6.069 -12.584 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.434 7.438 -12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.950 6.666 -10.838 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.445 8.250 -11.394 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.128 7.443 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.048 8.597 -9.552 1.00 0.00 H new ATOM 1390 N GLU A 87 15.448 4.153 -9.639 1.00 0.00 N ATOM 1391 CA GLU A 87 16.029 2.835 -9.407 1.00 0.00 C ATOM 1392 C GLU A 87 15.289 2.111 -8.288 1.00 0.00 C ATOM 1393 O GLU A 87 15.777 1.117 -7.749 1.00 0.00 O ATOM 1394 CB GLU A 87 17.511 2.963 -9.048 1.00 0.00 C ATOM 1395 CG GLU A 87 18.343 3.640 -10.124 1.00 0.00 C ATOM 1396 CD GLU A 87 18.335 2.877 -11.434 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.193 1.987 -11.607 1.00 0.00 O ATOM 1398 OE2 GLU A 87 17.471 3.171 -12.285 1.00 0.00 O ATOM 0 H GLU A 87 15.616 4.824 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 87 15.933 2.255 -10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.604 3.528 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.917 1.969 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.962 4.647 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.370 3.742 -9.773 1.00 0.00 H new ATOM 1405 N PHE A 88 14.107 2.615 -7.948 1.00 0.00 N ATOM 1406 CA PHE A 88 13.296 2.028 -6.889 1.00 0.00 C ATOM 1407 C PHE A 88 12.883 0.602 -7.236 1.00 0.00 C ATOM 1408 O PHE A 88 12.690 0.267 -8.405 1.00 0.00 O ATOM 1409 CB PHE A 88 12.049 2.879 -6.650 1.00 0.00 C ATOM 1410 CG PHE A 88 11.342 2.571 -5.360 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.836 3.041 -4.153 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.179 1.816 -5.355 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.184 2.764 -2.967 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.524 1.536 -4.172 1.00 0.00 C ATOM 1415 CZ PHE A 88 10.027 2.010 -2.976 1.00 0.00 C ATOM 0 H PHE A 88 13.689 3.432 -8.393 1.00 0.00 H new ATOM 0 HA PHE A 88 13.899 2.000 -5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.332 3.932 -6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.355 2.731 -7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.741 3.630 -4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.781 1.443 -6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.579 3.137 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.619 0.947 -4.182 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.516 1.791 -2.050 1.00 0.00 H new ATOM 1425 N ASN A 89 12.748 -0.232 -6.210 1.00 0.00 N ATOM 1426 CA ASN A 89 12.348 -1.621 -6.397 1.00 0.00 C ATOM 1427 C ASN A 89 11.214 -1.984 -5.444 1.00 0.00 C ATOM 1428 O ASN A 89 11.440 -2.583 -4.391 1.00 0.00 O ATOM 1429 CB ASN A 89 13.538 -2.556 -6.178 1.00 0.00 C ATOM 1430 CG ASN A 89 14.631 -2.351 -7.208 1.00 0.00 C ATOM 1431 OD1 ASN A 89 15.535 -1.537 -7.019 1.00 0.00 O ATOM 1432 ND2 ASN A 89 14.555 -3.093 -8.308 1.00 0.00 N ATOM 0 H ASN A 89 12.910 0.031 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 89 11.995 -1.739 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.947 -2.392 -5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.196 -3.590 -6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.263 -3.000 -9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.788 -3.756 -8.424 1.00 0.00 H new ATOM 1439 N MET A 90 9.994 -1.607 -5.816 1.00 0.00 N ATOM 1440 CA MET A 90 8.823 -1.883 -4.992 1.00 0.00 C ATOM 1441 C MET A 90 8.526 -3.378 -4.952 1.00 0.00 C ATOM 1442 O MET A 90 7.854 -3.862 -4.041 1.00 0.00 O ATOM 1443 CB MET A 90 7.607 -1.121 -5.525 1.00 0.00 C ATOM 1444 CG MET A 90 6.429 -1.108 -4.564 1.00 0.00 C ATOM 1445 SD MET A 90 5.079 -0.059 -5.135 1.00 0.00 S ATOM 1446 CE MET A 90 3.981 -0.120 -3.721 1.00 0.00 C ATOM 0 H MET A 90 9.791 -1.109 -6.683 1.00 0.00 H new ATOM 0 HA MET A 90 9.036 -1.547 -3.977 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.899 -0.094 -5.743 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.292 -1.569 -6.467 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.062 -2.126 -4.431 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.766 -0.761 -3.587 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.096 0.483 -3.922 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.683 -1.152 -3.536 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.496 0.272 -2.844 1.00 0.00 H new ATOM 1456 N ALA A 91 9.029 -4.105 -5.943 1.00 0.00 N ATOM 1457 CA ALA A 91 8.816 -5.546 -6.018 1.00 0.00 C ATOM 1458 C ALA A 91 9.507 -6.265 -4.864 1.00 0.00 C ATOM 1459 O ALA A 91 8.872 -7.007 -4.113 1.00 0.00 O ATOM 1460 CB ALA A 91 9.313 -6.084 -7.352 1.00 0.00 C ATOM 0 H ALA A 91 9.587 -3.721 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 91 7.745 -5.735 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.148 -7.161 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.770 -5.601 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.378 -5.876 -7.454 1.00 0.00 H new ATOM 1466 N ALA A 92 10.811 -6.040 -4.730 1.00 0.00 N ATOM 1467 CA ALA A 92 11.590 -6.665 -3.667 1.00 0.00 C ATOM 1468 C ALA A 92 11.271 -6.039 -2.315 1.00 0.00 C ATOM 1469 O ALA A 92 11.422 -6.677 -1.272 1.00 0.00 O ATOM 1470 CB ALA A 92 13.077 -6.546 -3.963 1.00 0.00 C ATOM 0 H ALA A 92 11.350 -5.430 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 92 11.321 -7.720 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.646 -7.017 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.301 -7.043 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.351 -5.493 -4.033 1.00 0.00 H new ATOM 1476 N PHE A 93 10.830 -4.785 -2.339 1.00 0.00 N ATOM 1477 CA PHE A 93 10.491 -4.068 -1.117 1.00 0.00 C ATOM 1478 C PHE A 93 9.229 -4.641 -0.479 1.00 0.00 C ATOM 1479 O PHE A 93 9.188 -4.885 0.727 1.00 0.00 O ATOM 1480 CB PHE A 93 10.300 -2.580 -1.411 1.00 0.00 C ATOM 1481 CG PHE A 93 9.996 -1.759 -0.189 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.996 -1.445 0.717 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.709 -1.306 0.055 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.720 -0.693 1.843 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.427 -0.554 1.180 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.434 -0.248 2.075 1.00 0.00 C ATOM 0 H PHE A 93 10.699 -4.244 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 93 11.316 -4.189 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.203 -2.193 -1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.489 -2.461 -2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.003 -1.792 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.918 -1.543 -0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.509 -0.454 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.420 -0.206 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.215 0.339 2.955 1.00 0.00 H new ATOM 1496 N THR A 94 8.202 -4.852 -1.295 1.00 0.00 N ATOM 1497 CA THR A 94 6.938 -5.395 -0.810 1.00 0.00 C ATOM 1498 C THR A 94 7.108 -6.826 -0.312 1.00 0.00 C ATOM 1499 O THR A 94 6.600 -7.188 0.749 1.00 0.00 O ATOM 1500 CB THR A 94 5.857 -5.371 -1.906 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.359 -5.976 -3.104 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.411 -3.945 -2.199 1.00 0.00 C ATOM 0 H THR A 94 8.220 -4.655 -2.296 1.00 0.00 H new ATOM 0 HA THR A 94 6.620 -4.760 0.017 1.00 0.00 H new ATOM 0 HB THR A 94 4.997 -5.936 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.905 -5.326 -3.595 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.647 -3.955 -2.977 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.001 -3.499 -1.293 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.265 -3.359 -2.537 1.00 0.00 H new ATOM 1510 N THR A 95 7.827 -7.636 -1.085 1.00 0.00 N ATOM 1511 CA THR A 95 8.066 -9.030 -0.726 1.00 0.00 C ATOM 1512 C THR A 95 8.716 -9.144 0.650 1.00 0.00 C ATOM 1513 O THR A 95 8.339 -9.993 1.457 1.00 0.00 O ATOM 1514 CB THR A 95 8.963 -9.729 -1.766 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.388 -9.605 -3.072 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.145 -11.201 -1.428 1.00 0.00 C ATOM 0 H THR A 95 8.255 -7.350 -1.966 1.00 0.00 H new ATOM 0 HA THR A 95 7.094 -9.522 -0.704 1.00 0.00 H new ATOM 0 HB THR A 95 9.940 -9.246 -1.749 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.573 -8.711 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.782 -11.670 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.610 -11.294 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.173 -11.695 -1.417 1.00 0.00 H new ATOM 1524 N THR A 96 9.695 -8.282 0.909 1.00 0.00 N ATOM 1525 CA THR A 96 10.404 -8.283 2.183 1.00 0.00 C ATOM 1526 C THR A 96 9.560 -7.653 3.287 1.00 0.00 C ATOM 1527 O THR A 96 9.680 -8.014 4.456 1.00 0.00 O ATOM 1528 CB THR A 96 11.741 -7.523 2.073 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.537 -8.085 1.022 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.514 -7.579 3.381 1.00 0.00 C ATOM 0 H THR A 96 10.016 -7.572 0.251 1.00 0.00 H new ATOM 0 HA THR A 96 10.602 -9.324 2.438 1.00 0.00 H new ATOM 0 HB THR A 96 11.518 -6.480 1.849 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.267 -7.697 0.164 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.452 -7.035 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.920 -7.125 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.725 -8.618 3.635 1.00 0.00 H new ATOM 1538 N LEU A 97 8.705 -6.713 2.903 1.00 0.00 N ATOM 1539 CA LEU A 97 7.838 -6.021 3.852 1.00 0.00 C ATOM 1540 C LEU A 97 6.862 -6.987 4.519 1.00 0.00 C ATOM 1541 O LEU A 97 6.534 -6.835 5.697 1.00 0.00 O ATOM 1542 CB LEU A 97 7.065 -4.905 3.146 1.00 0.00 C ATOM 1543 CG LEU A 97 6.941 -3.598 3.935 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.230 -2.542 3.104 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.206 -3.826 5.247 1.00 0.00 C ATOM 0 H LEU A 97 8.592 -6.410 1.935 1.00 0.00 H new ATOM 0 HA LEU A 97 8.470 -5.587 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.553 -4.692 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.063 -5.268 2.916 1.00 0.00 H new ATOM 0 HG LEU A 97 7.945 -3.242 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.150 -1.620 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.797 -2.353 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.232 -2.895 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.130 -2.884 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.206 -4.208 5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.754 -4.549 5.850 1.00 0.00 H new ATOM 1557 N GLN A 98 6.401 -7.979 3.760 1.00 0.00 N ATOM 1558 CA GLN A 98 5.444 -8.960 4.268 1.00 0.00 C ATOM 1559 C GLN A 98 5.893 -9.556 5.601 1.00 0.00 C ATOM 1560 O GLN A 98 5.076 -9.756 6.499 1.00 0.00 O ATOM 1561 CB GLN A 98 5.235 -10.077 3.244 1.00 0.00 C ATOM 1562 CG GLN A 98 4.704 -9.585 1.908 1.00 0.00 C ATOM 1563 CD GLN A 98 4.505 -10.707 0.907 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.209 -11.716 0.940 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.542 -10.533 0.009 1.00 0.00 N ATOM 0 H GLN A 98 6.675 -8.125 2.789 1.00 0.00 H new ATOM 0 HA GLN A 98 4.502 -8.439 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.182 -10.592 3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.540 -10.810 3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.755 -9.072 2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.397 -8.853 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.983 -9.680 0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.361 -11.252 -0.691 1.00 0.00 H new ATOM 1574 N HIS A 99 7.184 -9.837 5.730 1.00 0.00 N ATOM 1575 CA HIS A 99 7.712 -10.403 6.966 1.00 0.00 C ATOM 1576 C HIS A 99 8.357 -9.319 7.824 1.00 0.00 C ATOM 1577 O HIS A 99 8.386 -9.415 9.053 1.00 0.00 O ATOM 1578 CB HIS A 99 8.727 -11.509 6.663 1.00 0.00 C ATOM 1579 CG HIS A 99 9.949 -11.030 5.943 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.050 -10.511 6.591 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.244 -11.002 4.622 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.968 -10.183 5.699 1.00 0.00 C ATOM 1583 NE2 HIS A 99 11.504 -10.472 4.498 1.00 0.00 N ATOM 0 H HIS A 99 7.880 -9.684 5.000 1.00 0.00 H new ATOM 0 HA HIS A 99 6.880 -10.836 7.521 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.029 -11.978 7.599 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.242 -12.279 6.063 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.141 -10.398 7.601 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.607 -11.335 3.816 1.00 0.00 H new ATOM 0 HE1 HIS A 99 12.934 -9.752 5.916 1.00 0.00 H new ATOM 1592 N HIS A 100 8.855 -8.277 7.168 1.00 0.00 N ATOM 1593 CA HIS A 100 9.506 -7.177 7.866 1.00 0.00 C ATOM 1594 C HIS A 100 8.488 -6.345 8.638 1.00 0.00 C ATOM 1595 O HIS A 100 8.851 -5.417 9.361 1.00 0.00 O ATOM 1596 CB HIS A 100 10.265 -6.290 6.877 1.00 0.00 C ATOM 1597 CG HIS A 100 11.319 -5.445 7.520 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.066 -4.198 8.055 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.640 -5.674 7.714 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.185 -3.698 8.548 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.153 -4.573 8.355 1.00 0.00 N ATOM 0 H HIS A 100 8.820 -8.172 6.154 1.00 0.00 H new ATOM 0 HA HIS A 100 10.215 -7.601 8.576 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.729 -6.920 6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.555 -5.642 6.363 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.187 -6.557 7.420 1.00 0.00 H new ATOM 0 HE1 HIS A 100 12.290 -2.736 9.028 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.126 -4.452 8.636 1.00 0.00 H new ATOM 1610 N LYS A 101 7.211 -6.681 8.476 1.00 0.00 N ATOM 1611 CA LYS A 101 6.142 -5.969 9.163 1.00 0.00 C ATOM 1612 C LYS A 101 6.248 -6.171 10.670 1.00 0.00 C ATOM 1613 O LYS A 101 5.625 -5.449 11.448 1.00 0.00 O ATOM 1614 CB LYS A 101 4.775 -6.447 8.670 1.00 0.00 C ATOM 1615 CG LYS A 101 4.489 -7.908 8.984 1.00 0.00 C ATOM 1616 CD LYS A 101 3.089 -8.311 8.546 1.00 0.00 C ATOM 1617 CE LYS A 101 2.020 -7.645 9.399 1.00 0.00 C ATOM 1618 NZ LYS A 101 0.648 -8.005 8.950 1.00 0.00 N ATOM 0 H LYS A 101 6.893 -7.442 7.875 1.00 0.00 H new ATOM 0 HA LYS A 101 6.245 -4.907 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.999 -5.829 9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.715 -6.298 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.223 -8.539 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.599 -8.079 10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.942 -8.039 7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.985 -9.394 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.150 -7.940 10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.144 -6.563 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.051 -7.531 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.514 -7.701 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.521 -9.035 9.015 1.00 0.00 H new ATOM 1632 N ASP A 102 7.041 -7.160 11.076 1.00 0.00 N ATOM 1633 CA ASP A 102 7.227 -7.455 12.491 1.00 0.00 C ATOM 1634 C ASP A 102 8.099 -6.391 13.148 1.00 0.00 C ATOM 1635 O ASP A 102 8.233 -6.349 14.372 1.00 0.00 O ATOM 1636 CB ASP A 102 7.859 -8.838 12.668 1.00 0.00 C ATOM 1637 CG ASP A 102 7.875 -9.286 14.117 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.851 -8.965 14.827 1.00 0.00 O ATOM 1639 OD2 ASP A 102 6.913 -9.960 14.540 1.00 0.00 O ATOM 0 H ASP A 102 7.563 -7.768 10.445 1.00 0.00 H new ATOM 0 HA ASP A 102 6.250 -7.451 12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.308 -9.565 12.072 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.879 -8.820 12.285 1.00 0.00 H new ATOM 1644 N GLU A 103 8.692 -5.531 12.323 1.00 0.00 N ATOM 1645 CA GLU A 103 9.553 -4.463 12.815 1.00 0.00 C ATOM 1646 C GLU A 103 8.935 -3.095 12.536 1.00 0.00 C ATOM 1647 O GLU A 103 8.629 -2.341 13.461 1.00 0.00 O ATOM 1648 CB GLU A 103 10.933 -4.558 12.165 1.00 0.00 C ATOM 1649 CG GLU A 103 11.658 -5.861 12.461 1.00 0.00 C ATOM 1650 CD GLU A 103 12.994 -5.960 11.752 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.979 -5.380 12.254 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.054 -6.619 10.691 1.00 0.00 O ATOM 0 H GLU A 103 8.590 -5.555 11.308 1.00 0.00 H new ATOM 0 HA GLU A 103 9.659 -4.578 13.894 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.825 -4.449 11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.546 -3.725 12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.814 -5.949 13.536 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.029 -6.699 12.161 1.00 0.00 H new ATOM 1659 N VAL A 104 8.758 -2.778 11.256 1.00 0.00 N ATOM 1660 CA VAL A 104 8.172 -1.503 10.857 1.00 0.00 C ATOM 1661 C VAL A 104 6.750 -1.369 11.394 1.00 0.00 C ATOM 1662 O VAL A 104 6.123 -2.363 11.763 1.00 0.00 O ATOM 1663 CB VAL A 104 8.153 -1.344 9.321 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.117 -2.264 8.691 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.894 0.105 8.934 1.00 0.00 C ATOM 0 H VAL A 104 9.012 -3.387 10.478 1.00 0.00 H new ATOM 0 HA VAL A 104 8.796 -0.717 11.282 1.00 0.00 H new ATOM 0 HB VAL A 104 9.133 -1.630 8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.124 -2.133 7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.356 -3.300 8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.129 -2.019 9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.885 0.195 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.930 0.421 9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.682 0.737 9.344 1.00 0.00 H new ATOM 1675 N ALA A 105 6.251 -0.138 11.440 1.00 0.00 N ATOM 1676 CA ALA A 105 4.903 0.124 11.929 1.00 0.00 C ATOM 1677 C ALA A 105 3.881 -0.752 11.213 1.00 0.00 C ATOM 1678 O ALA A 105 3.573 -0.535 10.041 1.00 0.00 O ATOM 1679 CB ALA A 105 4.555 1.594 11.749 1.00 0.00 C ATOM 0 H ALA A 105 6.761 0.694 11.144 1.00 0.00 H new ATOM 0 HA ALA A 105 4.873 -0.120 12.991 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.546 1.777 12.118 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.262 2.206 12.308 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.607 1.853 10.692 1.00 0.00 H new ATOM 1685 N GLY A 106 3.360 -1.746 11.927 1.00 0.00 N ATOM 1686 CA GLY A 106 2.378 -2.642 11.345 1.00 0.00 C ATOM 1687 C GLY A 106 1.067 -1.943 11.051 1.00 0.00 C ATOM 1688 O GLY A 106 0.359 -2.308 10.112 1.00 0.00 O ATOM 0 H GLY A 106 3.601 -1.946 12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.777 -3.065 10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.199 -3.474 12.026 1.00 0.00 H new ATOM 1692 N ASP A 107 0.743 -0.939 11.859 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.491 -0.181 11.683 1.00 0.00 C ATOM 1694 C ASP A 107 -0.481 0.569 10.356 1.00 0.00 C ATOM 1695 O ASP A 107 -1.517 0.710 9.704 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.677 0.805 12.837 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.783 0.113 14.183 1.00 0.00 C ATOM 1698 OD1 ASP A 107 0.268 -0.279 14.734 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.916 -0.033 14.688 1.00 0.00 O ATOM 0 H ASP A 107 1.318 -0.631 12.643 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.324 -0.884 11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.162 1.500 12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.577 1.396 12.664 1.00 0.00 H new ATOM 1704 N ILE A 108 0.693 1.051 9.960 1.00 0.00 N ATOM 1705 CA ILE A 108 0.833 1.791 8.712 1.00 0.00 C ATOM 1706 C ILE A 108 0.720 0.859 7.508 1.00 0.00 C ATOM 1707 O ILE A 108 -0.049 1.118 6.583 1.00 0.00 O ATOM 1708 CB ILE A 108 2.182 2.538 8.648 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.305 3.529 9.808 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.340 3.252 7.314 1.00 0.00 C ATOM 1711 CD1 ILE A 108 1.231 4.593 9.815 1.00 0.00 C ATOM 0 H ILE A 108 1.560 0.942 10.486 1.00 0.00 H new ATOM 0 HA ILE A 108 0.023 2.520 8.682 1.00 0.00 H new ATOM 0 HB ILE A 108 2.983 1.804 8.738 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.266 2.980 10.749 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.281 4.011 9.760 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.298 3.772 7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.303 2.523 6.505 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.532 3.973 7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.383 5.258 10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.283 5.168 8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.252 4.121 9.894 1.00 0.00 H new ATOM 1723 N PHE A 109 1.482 -0.232 7.532 1.00 0.00 N ATOM 1724 CA PHE A 109 1.457 -1.198 6.441 1.00 0.00 C ATOM 1725 C PHE A 109 0.095 -1.872 6.349 1.00 0.00 C ATOM 1726 O PHE A 109 -0.326 -2.294 5.272 1.00 0.00 O ATOM 1727 CB PHE A 109 2.556 -2.250 6.609 1.00 0.00 C ATOM 1728 CG PHE A 109 2.642 -3.212 5.452 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.653 -2.746 4.145 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.704 -4.579 5.672 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.721 -3.625 3.079 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.773 -5.463 4.610 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.782 -4.985 3.313 1.00 0.00 C ATOM 0 H PHE A 109 2.121 -0.467 8.292 1.00 0.00 H new ATOM 0 HA PHE A 109 1.642 -0.655 5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.516 -1.747 6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.376 -2.811 7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.608 -1.683 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.698 -4.958 6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.726 -3.249 2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.820 -6.526 4.794 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.837 -5.674 2.483 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.587 -1.975 7.488 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.902 -2.603 7.541 1.00 0.00 C ATOM 1745 C ASP A 110 -2.811 -2.047 6.450 1.00 0.00 C ATOM 1746 O ASP A 110 -3.657 -2.761 5.912 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.540 -2.390 8.916 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.947 -2.951 8.992 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.089 -4.185 9.121 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.906 -2.154 8.927 1.00 0.00 O ATOM 0 H ASP A 110 -0.249 -1.631 8.387 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.775 -3.672 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.921 -2.863 9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.564 -1.324 9.142 1.00 0.00 H new ATOM 1755 N MET A 111 -2.633 -0.771 6.127 1.00 0.00 N ATOM 1756 CA MET A 111 -3.426 -0.132 5.085 1.00 0.00 C ATOM 1757 C MET A 111 -2.989 -0.637 3.713 1.00 0.00 C ATOM 1758 O MET A 111 -3.818 -0.982 2.868 1.00 0.00 O ATOM 1759 CB MET A 111 -3.280 1.392 5.165 1.00 0.00 C ATOM 1760 CG MET A 111 -4.002 2.143 4.054 1.00 0.00 C ATOM 1761 SD MET A 111 -3.028 2.259 2.540 1.00 0.00 S ATOM 1762 CE MET A 111 -1.605 3.181 3.120 1.00 0.00 C ATOM 0 H MET A 111 -1.948 -0.160 6.571 1.00 0.00 H new ATOM 0 HA MET A 111 -4.475 -0.387 5.234 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.661 1.733 6.127 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.221 1.647 5.133 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.945 1.642 3.836 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.247 3.147 4.400 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.017 3.517 2.266 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.940 4.046 3.692 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.991 2.542 3.755 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.677 -0.685 3.508 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.102 -1.146 2.250 1.00 0.00 C ATOM 1774 C LEU A 112 -1.432 -2.616 1.998 1.00 0.00 C ATOM 1775 O LEU A 112 -1.413 -3.073 0.857 1.00 0.00 O ATOM 1776 CB LEU A 112 0.415 -0.943 2.255 1.00 0.00 C ATOM 1777 CG LEU A 112 0.883 0.515 2.270 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.393 0.586 2.428 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.453 1.231 0.999 1.00 0.00 C ATOM 0 H LEU A 112 -0.986 -0.407 4.205 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.539 -0.556 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.829 -1.449 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.833 -1.432 1.375 1.00 0.00 H new ATOM 0 HG LEU A 112 0.418 1.014 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.709 1.629 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.684 0.111 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.871 0.069 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.796 2.265 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.889 0.730 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.634 1.211 0.920 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.738 -3.349 3.067 1.00 0.00 N ATOM 1792 CA LEU A 113 -2.064 -4.772 2.959 1.00 0.00 C ATOM 1793 C LEU A 113 -3.113 -5.019 1.880 1.00 0.00 C ATOM 1794 O LEU A 113 -3.167 -6.101 1.296 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.565 -5.319 4.299 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.490 -5.532 5.367 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -2.116 -6.045 6.655 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.428 -6.504 4.874 1.00 0.00 C ATOM 0 H LEU A 113 -1.767 -2.982 4.018 1.00 0.00 H new ATOM 0 HA LEU A 113 -1.149 -5.295 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.314 -4.633 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.067 -6.270 4.119 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.013 -4.573 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.338 -6.191 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.841 -5.318 7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.618 -6.993 6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.327 -6.642 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.891 -7.463 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.042 -6.104 3.976 1.00 0.00 H new ATOM 1810 N THR A 114 -3.949 -4.016 1.625 1.00 0.00 N ATOM 1811 CA THR A 114 -4.999 -4.124 0.615 1.00 0.00 C ATOM 1812 C THR A 114 -4.440 -4.517 -0.757 1.00 0.00 C ATOM 1813 O THR A 114 -5.199 -4.730 -1.702 1.00 0.00 O ATOM 1814 CB THR A 114 -5.774 -2.802 0.470 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.879 -1.746 0.099 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.478 -2.442 1.769 1.00 0.00 C ATOM 0 H THR A 114 -3.920 -3.117 2.105 1.00 0.00 H new ATOM 0 HA THR A 114 -5.672 -4.909 0.961 1.00 0.00 H new ATOM 0 HB THR A 114 -6.525 -2.932 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.436 -1.396 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.019 -1.504 1.642 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.180 -3.233 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.740 -2.331 2.564 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.115 -4.613 -0.862 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.475 -4.982 -2.122 1.00 0.00 C ATOM 1826 C PHE A 115 -2.845 -6.404 -2.532 1.00 0.00 C ATOM 1827 O PHE A 115 -2.990 -6.694 -3.720 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.950 -4.866 -2.005 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.431 -3.452 -1.976 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.044 -2.453 -2.717 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.677 -3.125 -1.208 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.564 -1.158 -2.692 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.161 -1.831 -1.181 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.541 -0.848 -1.924 1.00 0.00 C ATOM 0 H PHE A 115 -2.467 -4.441 -0.093 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.833 -4.293 -2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.628 -5.376 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.493 -5.390 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.907 -2.690 -3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.167 -3.890 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.052 -0.389 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.024 -1.589 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.919 0.163 -1.905 1.00 0.00 H new ATOM 1844 N THR A 116 -3.002 -7.285 -1.548 1.00 0.00 N ATOM 1845 CA THR A 116 -3.350 -8.677 -1.821 1.00 0.00 C ATOM 1846 C THR A 116 -4.232 -9.263 -0.723 1.00 0.00 C ATOM 1847 O THR A 116 -5.029 -10.165 -0.976 1.00 0.00 O ATOM 1848 CB THR A 116 -2.093 -9.556 -1.965 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.266 -9.422 -0.803 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.299 -9.175 -3.207 1.00 0.00 C ATOM 0 H THR A 116 -2.894 -7.062 -0.559 1.00 0.00 H new ATOM 0 HA THR A 116 -3.901 -8.675 -2.762 1.00 0.00 H new ATOM 0 HB THR A 116 -2.414 -10.593 -2.066 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.470 -9.985 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.417 -9.811 -3.284 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.921 -9.308 -4.092 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.989 -8.132 -3.135 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.080 -8.750 0.496 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.864 -9.229 1.632 1.00 0.00 C ATOM 1860 C ASP A 117 -6.354 -8.996 1.404 1.00 0.00 C ATOM 1861 O ASP A 117 -6.908 -7.983 1.835 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.414 -8.532 2.917 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.968 -8.829 3.263 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.074 -8.172 2.688 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.729 -9.717 4.108 1.00 0.00 O ATOM 0 H ASP A 117 -3.422 -8.004 0.722 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.697 -10.301 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.544 -7.455 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.054 -8.848 3.741 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.999 -9.943 0.726 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.424 -9.842 0.431 1.00 0.00 C ATOM 1872 C PHE A 118 -9.236 -9.700 1.713 1.00 0.00 C ATOM 1873 O PHE A 118 -10.285 -9.055 1.725 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.888 -11.071 -0.354 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.302 -10.969 -0.857 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.586 -10.285 -2.029 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.345 -11.557 -0.159 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.884 -10.190 -2.495 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.644 -11.465 -0.621 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.915 -10.781 -1.790 1.00 0.00 C ATOM 0 H PHE A 118 -6.555 -10.790 0.371 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.585 -8.951 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.220 -11.223 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.801 -11.952 0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.784 -9.821 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.140 -12.093 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.092 -9.654 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.448 -11.928 -0.068 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.930 -10.708 -2.152 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.746 -10.305 2.789 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.425 -10.241 4.078 1.00 0.00 C ATOM 1892 C LEU A 119 -9.400 -8.819 4.629 1.00 0.00 C ATOM 1893 O LEU A 119 -10.388 -8.343 5.190 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.772 -11.201 5.080 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.065 -12.691 4.863 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.562 -12.960 4.911 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.477 -13.172 3.544 1.00 0.00 C ATOM 0 H LEU A 119 -7.881 -10.845 2.794 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.462 -10.541 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.693 -11.053 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.100 -10.928 6.083 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.591 -13.249 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.746 -14.023 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.954 -12.663 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.060 -12.387 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.698 -14.231 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.915 -12.605 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.397 -13.024 3.552 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.263 -8.147 4.467 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.107 -6.779 4.948 1.00 0.00 C ATOM 1911 C ALA A 120 -8.820 -5.792 4.031 1.00 0.00 C ATOM 1912 O ALA A 120 -9.234 -4.715 4.461 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.632 -6.426 5.069 1.00 0.00 C ATOM 0 H ALA A 120 -7.437 -8.528 4.006 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.564 -6.711 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.531 -5.402 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.151 -7.107 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.155 -6.516 4.093 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.959 -6.168 2.763 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.621 -5.321 1.776 1.00 0.00 C ATOM 1921 C PHE A 121 -11.109 -5.189 2.093 1.00 0.00 C ATOM 1922 O PHE A 121 -11.635 -4.081 2.230 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.424 -5.912 0.375 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.631 -4.932 -0.748 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.047 -3.673 -0.712 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.401 -5.275 -1.848 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.231 -2.779 -1.750 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.587 -4.384 -2.888 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.001 -3.135 -2.839 1.00 0.00 C ATOM 0 H PHE A 121 -8.621 -7.057 2.394 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.177 -4.326 1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.415 -6.319 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.114 -6.746 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.442 -3.389 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.862 -6.251 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.772 -1.802 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.190 -4.665 -3.739 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.145 -2.438 -3.651 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.778 -6.331 2.223 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.203 -6.351 2.528 1.00 0.00 C ATOM 1941 C LYS A 122 -13.465 -5.766 3.912 1.00 0.00 C ATOM 1942 O LYS A 122 -14.376 -4.959 4.091 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.743 -7.781 2.451 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.230 -7.887 2.749 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.712 -9.327 2.680 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.192 -9.435 3.008 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.672 -10.844 2.957 1.00 0.00 N ATOM 0 H LYS A 122 -11.355 -7.254 2.122 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.720 -5.738 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.551 -8.180 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.194 -8.406 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.433 -7.482 3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.789 -7.281 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.529 -9.726 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.138 -9.938 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.374 -9.025 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.765 -8.831 2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.686 -10.874 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.522 -11.228 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.144 -11.416 3.647 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.658 -6.177 4.886 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.802 -5.693 6.254 1.00 0.00 C ATOM 1963 C GLU A 123 -12.647 -4.176 6.312 1.00 0.00 C ATOM 1964 O GLU A 123 -13.238 -3.513 7.164 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.767 -6.358 7.164 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.840 -5.898 8.611 1.00 0.00 C ATOM 1967 CD GLU A 123 -10.805 -6.572 9.490 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -9.659 -6.080 9.543 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -11.141 -7.594 10.125 1.00 0.00 O ATOM 0 H GLU A 123 -11.898 -6.844 4.753 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.802 -5.953 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.906 -7.439 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.769 -6.152 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.699 -4.818 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.835 -6.105 9.004 1.00 0.00 H new ATOM 1976 N MET A 124 -11.850 -3.634 5.396 1.00 0.00 N ATOM 1977 CA MET A 124 -11.615 -2.197 5.341 1.00 0.00 C ATOM 1978 C MET A 124 -12.885 -1.455 4.935 1.00 0.00 C ATOM 1979 O MET A 124 -13.259 -0.461 5.557 1.00 0.00 O ATOM 1980 CB MET A 124 -10.489 -1.879 4.355 1.00 0.00 C ATOM 1981 CG MET A 124 -10.127 -0.404 4.297 1.00 0.00 C ATOM 1982 SD MET A 124 -8.827 -0.052 3.096 1.00 0.00 S ATOM 1983 CE MET A 124 -9.632 -0.537 1.570 1.00 0.00 C ATOM 0 H MET A 124 -11.356 -4.169 4.682 1.00 0.00 H new ATOM 0 HA MET A 124 -11.321 -1.864 6.336 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.603 -2.451 4.632 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.785 -2.211 3.360 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.016 0.174 4.044 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.803 -0.075 5.284 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.138 -0.052 0.728 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.570 -1.619 1.454 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.679 -0.235 1.599 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.543 -1.943 3.887 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.771 -1.318 3.402 1.00 0.00 C ATOM 1995 C PHE A 125 -15.905 -1.457 4.414 1.00 0.00 C ATOM 1996 O PHE A 125 -16.564 -0.474 4.754 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.187 -1.929 2.064 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.188 -1.698 0.966 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.805 -0.412 0.618 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.629 -2.767 0.287 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.884 -0.197 -0.388 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.707 -2.558 -0.720 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.334 -1.272 -1.058 1.00 0.00 C ATOM 0 H PHE A 125 -13.249 -2.765 3.359 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.569 -0.256 3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.333 -3.002 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.148 -1.510 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.232 0.432 1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.917 -3.775 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.594 0.810 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.278 -3.400 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.613 -1.107 -1.845 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.133 -2.680 4.887 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.191 -2.939 5.859 1.00 0.00 C ATOM 2015 C LEU A 126 -17.018 -2.067 7.099 1.00 0.00 C ATOM 2016 O LEU A 126 -17.997 -1.592 7.676 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.205 -4.419 6.255 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.005 -5.339 5.326 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.433 -5.320 3.916 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.024 -6.756 5.876 1.00 0.00 C ATOM 0 H LEU A 126 -15.600 -3.506 4.613 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.144 -2.689 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.176 -4.777 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.612 -4.505 7.262 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.029 -4.969 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.019 -5.981 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.472 -4.305 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.398 -5.661 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.596 -7.399 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.003 -7.130 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.487 -6.757 6.863 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.769 -1.857 7.503 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.473 -1.034 8.669 1.00 0.00 C ATOM 2034 C ASP A 127 -15.792 0.430 8.381 1.00 0.00 C ATOM 2035 O ASP A 127 -16.276 1.156 9.249 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.001 -1.181 9.067 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.646 -0.356 10.289 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.257 0.818 10.120 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.755 -0.887 11.414 1.00 0.00 O ATOM 0 H ASP A 127 -14.947 -2.245 7.040 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.096 -1.373 9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.784 -2.231 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.370 -0.878 8.232 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.521 0.849 7.148 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.777 2.222 6.728 1.00 0.00 C ATOM 2046 C TYR A 128 -17.261 2.557 6.850 1.00 0.00 C ATOM 2047 O TYR A 128 -17.628 3.616 7.360 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.311 2.425 5.286 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.384 3.861 4.816 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.375 4.764 5.126 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.459 4.311 4.059 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.435 6.075 4.695 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.525 5.621 3.624 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.511 6.499 3.945 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.574 7.804 3.514 1.00 0.00 O ATOM 0 H TYR A 128 -15.123 0.255 6.421 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.218 2.891 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.283 2.074 5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.919 1.806 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.530 4.436 5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.255 3.626 3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.642 6.765 4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.367 5.956 3.036 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.396 7.938 2.997 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.111 1.647 6.381 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.554 1.847 6.444 1.00 0.00 C ATOM 2067 C ARG A 129 -20.038 1.833 7.889 1.00 0.00 C ATOM 2068 O ARG A 129 -20.992 2.526 8.243 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.278 0.764 5.639 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.790 0.922 5.632 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.461 -0.183 4.831 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.915 -0.042 4.816 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.730 -0.875 4.179 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -24.237 -1.906 3.505 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -26.041 -0.678 4.214 1.00 0.00 N ATOM 0 H ARG A 129 -17.825 0.766 5.954 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.781 2.821 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.914 0.782 4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.025 -0.213 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.163 0.909 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.054 1.891 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -22.085 -0.169 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.195 -1.151 5.255 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.328 0.741 5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.229 -2.061 3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.866 -2.544 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.424 0.114 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.666 -1.318 3.724 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.371 1.036 8.721 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.727 0.931 10.131 1.00 0.00 C ATOM 2091 C ALA A 130 -19.582 2.278 10.828 1.00 0.00 C ATOM 2092 O ALA A 130 -20.383 2.631 11.694 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.866 -0.118 10.817 1.00 0.00 C ATOM 0 H ALA A 130 -18.581 0.454 8.441 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.771 0.624 10.198 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.143 -0.185 11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.021 -1.085 10.339 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.816 0.163 10.736 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.551 3.027 10.445 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.300 4.339 11.030 1.00 0.00 C ATOM 2101 C GLU A 131 -19.461 5.288 10.748 1.00 0.00 C ATOM 2102 O GLU A 131 -19.749 6.184 11.542 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.000 4.926 10.477 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.766 4.101 10.809 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.528 3.981 12.303 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.015 4.950 12.901 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.852 2.918 12.873 1.00 0.00 O ATOM 0 H GLU A 131 -17.877 2.747 9.732 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.205 4.218 12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.085 5.017 9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.870 5.933 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.874 3.104 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -14.893 4.556 10.341 1.00 0.00 H new