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= -1.36 K(o=-1.5,f=-0.21) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.113 K(o=-1.5,f=-0.86) USER MOD Set 2.1: A 41 GLN : amide:sc= -1.01 K(o=-0.43,f=0.54) USER MOD Set 2.2: A 69 TYR OH : rot -6:sc= 0.00125 USER MOD Set 2.3: A 114 THR OG1 : rot -82:sc= 0.579 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 43 ASN : amide:sc= -0.64 K(o=-0.64,f=-2.2!) USER MOD Single : A 45 MET CE :methyl -160:sc= -0.077 (180deg=-0.598) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.0117 (180deg=-0.173) USER MOD Single : A 48 TYR OH : rot -17:sc= 0.889 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 96:sc= 0.00746 USER MOD Single : A 58 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.15) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 36:sc= 0.031 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.247 K(o=-0.25,f=-0.76) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -0.0691 (180deg=-0.379) USER MOD Single : A 76 TYR OH : rot 161:sc= 0.247 USER MOD Single : A 89 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -85:sc= 0.733 USER MOD Single : A 95 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 96 THR OG1 : rot 83:sc= 0.0871 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 99 HIS : no HE2:sc= -2.15! C(o=-2.2!,f=-4.9!) USER MOD Single : A 100 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-2.3) USER MOD Single : A 101 LYS NZ :NH3+ -126:sc= -0.842 (180deg=-3.05!) USER MOD Single : A 111 MET CE :methyl 136:sc= -0.37 (180deg=-2.09) USER MOD Single : A 116 THR OG1 : rot -25:sc= 0.891 USER MOD Single : A 122 LYS NZ :NH3+ -110:sc= -0.145 (180deg=-0.45) USER MOD Single : A 124 MET CE :methyl 161:sc= -0.211 (180deg=-0.729) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.480 1.374 6.198 1.00 0.00 N ATOM 243 CA ALA A 19 19.523 2.791 5.850 1.00 0.00 C ATOM 244 C ALA A 19 18.603 3.115 4.676 1.00 0.00 C ATOM 245 O ALA A 19 17.712 3.957 4.790 1.00 0.00 O ATOM 246 CB ALA A 19 20.950 3.206 5.529 1.00 0.00 C ATOM 0 HA ALA A 19 19.167 3.355 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.972 4.265 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.584 3.032 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.319 2.620 4.688 1.00 0.00 H new ATOM 252 N GLU A 20 18.824 2.444 3.549 1.00 0.00 N ATOM 253 CA GLU A 20 18.017 2.673 2.354 1.00 0.00 C ATOM 254 C GLU A 20 16.547 2.365 2.618 1.00 0.00 C ATOM 255 O GLU A 20 15.667 3.151 2.262 1.00 0.00 O ATOM 256 CB GLU A 20 18.532 1.823 1.191 1.00 0.00 C ATOM 257 CG GLU A 20 17.782 2.055 -0.111 1.00 0.00 C ATOM 258 CD GLU A 20 18.308 1.201 -1.247 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.853 0.045 -1.381 1.00 0.00 O ATOM 260 OE2 GLU A 20 19.172 1.687 -2.006 1.00 0.00 O ATOM 0 H GLU A 20 19.553 1.739 3.438 1.00 0.00 H new ATOM 0 HA GLU A 20 18.103 3.726 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.589 2.038 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.457 0.770 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.724 1.840 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.858 3.107 -0.387 1.00 0.00 H new ATOM 267 N PHE A 21 16.284 1.219 3.239 1.00 0.00 N ATOM 268 CA PHE A 21 14.916 0.814 3.547 1.00 0.00 C ATOM 269 C PHE A 21 14.217 1.881 4.384 1.00 0.00 C ATOM 270 O PHE A 21 13.063 2.226 4.128 1.00 0.00 O ATOM 271 CB PHE A 21 14.908 -0.527 4.289 1.00 0.00 C ATOM 272 CG PHE A 21 13.529 -1.093 4.500 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.765 -0.703 5.590 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.998 -2.017 3.612 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.500 -1.220 5.788 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.732 -2.538 3.807 1.00 0.00 C ATOM 277 CZ PHE A 21 10.983 -2.139 4.896 1.00 0.00 C ATOM 0 H PHE A 21 16.998 0.555 3.538 1.00 0.00 H new ATOM 0 HA PHE A 21 14.375 0.698 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.505 -1.246 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.391 -0.399 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.164 0.014 6.292 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.580 -2.333 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.915 -0.906 6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.330 -3.256 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.994 -2.545 5.050 1.00 0.00 H new ATOM 287 N ASP A 22 14.926 2.402 5.382 1.00 0.00 N ATOM 288 CA ASP A 22 14.375 3.432 6.255 1.00 0.00 C ATOM 289 C ASP A 22 13.960 4.659 5.451 1.00 0.00 C ATOM 290 O ASP A 22 12.914 5.256 5.706 1.00 0.00 O ATOM 291 CB ASP A 22 15.397 3.831 7.322 1.00 0.00 C ATOM 292 CG ASP A 22 14.892 4.941 8.221 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.150 4.638 9.180 1.00 0.00 O ATOM 294 OD2 ASP A 22 15.235 6.115 7.966 1.00 0.00 O ATOM 0 H ASP A 22 15.883 2.127 5.605 1.00 0.00 H new ATOM 0 HA ASP A 22 13.492 3.022 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.643 2.960 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.319 4.152 6.836 1.00 0.00 H new ATOM 299 N ALA A 23 14.788 5.031 4.479 1.00 0.00 N ATOM 300 CA ALA A 23 14.505 6.184 3.633 1.00 0.00 C ATOM 301 C ALA A 23 13.159 6.028 2.938 1.00 0.00 C ATOM 302 O ALA A 23 12.361 6.964 2.891 1.00 0.00 O ATOM 303 CB ALA A 23 15.613 6.371 2.607 1.00 0.00 C ATOM 0 H ALA A 23 15.660 4.550 4.258 1.00 0.00 H new ATOM 0 HA ALA A 23 14.461 7.070 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.388 7.235 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.561 6.531 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.684 5.481 1.982 1.00 0.00 H new ATOM 309 N VAL A 24 12.916 4.837 2.400 1.00 0.00 N ATOM 310 CA VAL A 24 11.665 4.551 1.707 1.00 0.00 C ATOM 311 C VAL A 24 10.469 4.758 2.631 1.00 0.00 C ATOM 312 O VAL A 24 9.480 5.383 2.247 1.00 0.00 O ATOM 313 CB VAL A 24 11.638 3.108 1.166 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.413 2.887 0.291 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.913 2.799 0.396 1.00 0.00 C ATOM 0 H VAL A 24 13.569 4.054 2.431 1.00 0.00 H new ATOM 0 HA VAL A 24 11.600 5.245 0.869 1.00 0.00 H new ATOM 0 HB VAL A 24 11.579 2.426 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.412 1.863 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.511 3.061 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.438 3.579 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.874 1.776 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.007 3.488 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.773 2.912 1.056 1.00 0.00 H new ATOM 325 N VAL A 25 10.568 4.231 3.851 1.00 0.00 N ATOM 326 CA VAL A 25 9.493 4.355 4.830 1.00 0.00 C ATOM 327 C VAL A 25 9.079 5.813 5.012 1.00 0.00 C ATOM 328 O VAL A 25 7.889 6.129 5.051 1.00 0.00 O ATOM 329 CB VAL A 25 9.903 3.771 6.197 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.767 3.902 7.203 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.325 2.317 6.048 1.00 0.00 C ATOM 0 H VAL A 25 11.382 3.714 4.183 1.00 0.00 H new ATOM 0 HA VAL A 25 8.647 3.787 4.443 1.00 0.00 H new ATOM 0 HB VAL A 25 10.754 4.340 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.078 3.484 8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.515 4.955 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.894 3.362 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.611 1.920 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.494 1.736 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.173 2.252 5.366 1.00 0.00 H new ATOM 341 N GLY A 26 10.067 6.696 5.123 1.00 0.00 N ATOM 342 CA GLY A 26 9.780 8.109 5.292 1.00 0.00 C ATOM 343 C GLY A 26 8.977 8.674 4.137 1.00 0.00 C ATOM 344 O GLY A 26 7.970 9.353 4.344 1.00 0.00 O ATOM 0 H GLY A 26 11.059 6.459 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.230 8.257 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.716 8.659 5.385 1.00 0.00 H new ATOM 348 N TYR A 27 9.421 8.387 2.916 1.00 0.00 N ATOM 349 CA TYR A 27 8.738 8.867 1.720 1.00 0.00 C ATOM 350 C TYR A 27 7.304 8.353 1.667 1.00 0.00 C ATOM 351 O TYR A 27 6.416 9.021 1.139 1.00 0.00 O ATOM 352 CB TYR A 27 9.493 8.434 0.460 1.00 0.00 C ATOM 353 CG TYR A 27 10.888 9.012 0.352 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.110 10.376 0.503 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.982 8.195 0.096 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.381 10.908 0.403 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.256 8.720 -0.006 1.00 0.00 C ATOM 358 CZ TYR A 27 13.450 10.075 0.149 1.00 0.00 C ATOM 359 OH TYR A 27 14.718 10.601 0.049 1.00 0.00 O ATOM 0 H TYR A 27 10.251 7.824 2.730 1.00 0.00 H new ATOM 0 HA TYR A 27 8.714 9.956 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.559 7.346 0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.918 8.732 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.275 11.031 0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.834 7.132 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.536 11.970 0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.096 8.071 -0.206 1.00 0.00 H new ATOM 0 HH TYR A 27 15.358 9.881 -0.131 1.00 0.00 H new ATOM 369 N LEU A 28 7.083 7.161 2.216 1.00 0.00 N ATOM 370 CA LEU A 28 5.754 6.563 2.230 1.00 0.00 C ATOM 371 C LEU A 28 4.811 7.354 3.129 1.00 0.00 C ATOM 372 O LEU A 28 3.668 7.623 2.760 1.00 0.00 O ATOM 373 CB LEU A 28 5.824 5.105 2.700 1.00 0.00 C ATOM 374 CG LEU A 28 6.563 4.149 1.760 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.610 2.748 2.352 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.900 4.123 0.392 1.00 0.00 C ATOM 0 H LEU A 28 7.807 6.592 2.656 1.00 0.00 H new ATOM 0 HA LEU A 28 5.365 6.588 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.311 5.078 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.808 4.737 2.841 1.00 0.00 H new ATOM 0 HG LEU A 28 7.585 4.510 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.139 2.082 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.130 2.775 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.594 2.382 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.440 3.438 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.868 3.789 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.916 5.124 -0.039 1.00 0.00 H new ATOM 388 N GLU A 29 5.298 7.728 4.307 1.00 0.00 N ATOM 389 CA GLU A 29 4.499 8.487 5.263 1.00 0.00 C ATOM 390 C GLU A 29 4.017 9.802 4.658 1.00 0.00 C ATOM 391 O GLU A 29 2.860 10.184 4.825 1.00 0.00 O ATOM 392 CB GLU A 29 5.308 8.761 6.532 1.00 0.00 C ATOM 393 CG GLU A 29 5.733 7.496 7.260 1.00 0.00 C ATOM 394 CD GLU A 29 6.497 7.785 8.537 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.736 7.929 8.467 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.857 7.867 9.606 1.00 0.00 O ATOM 0 H GLU A 29 6.244 7.517 4.624 1.00 0.00 H new ATOM 0 HA GLU A 29 3.625 7.888 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.196 9.337 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.714 9.378 7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.849 6.903 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.354 6.892 6.598 1.00 0.00 H new ATOM 403 N ASP A 30 4.912 10.491 3.957 1.00 0.00 N ATOM 404 CA ASP A 30 4.573 11.764 3.330 1.00 0.00 C ATOM 405 C ASP A 30 3.427 11.598 2.333 1.00 0.00 C ATOM 406 O ASP A 30 2.617 12.507 2.149 1.00 0.00 O ATOM 407 CB ASP A 30 5.796 12.359 2.632 1.00 0.00 C ATOM 408 CG ASP A 30 6.899 12.717 3.609 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.789 13.775 4.267 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.872 11.942 3.719 1.00 0.00 O ATOM 0 H ASP A 30 5.875 10.190 3.809 1.00 0.00 H new ATOM 0 HA ASP A 30 4.247 12.447 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.178 11.645 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.499 13.251 2.080 1.00 0.00 H new ATOM 415 N ILE A 31 3.364 10.433 1.693 1.00 0.00 N ATOM 416 CA ILE A 31 2.317 10.152 0.714 1.00 0.00 C ATOM 417 C ILE A 31 0.995 9.819 1.401 1.00 0.00 C ATOM 418 O ILE A 31 -0.076 10.180 0.913 1.00 0.00 O ATOM 419 CB ILE A 31 2.716 8.983 -0.213 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.039 9.294 -0.916 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.619 8.717 -1.236 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.643 8.104 -1.632 1.00 0.00 C ATOM 0 H ILE A 31 4.025 9.669 1.834 1.00 0.00 H new ATOM 0 HA ILE A 31 2.191 11.054 0.115 1.00 0.00 H new ATOM 0 HB ILE A 31 2.846 8.086 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.878 10.096 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.753 9.665 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.916 7.890 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.694 8.460 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.461 9.610 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.578 8.401 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.837 7.307 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.949 7.746 -2.392 1.00 0.00 H new ATOM 434 N ILE A 32 1.077 9.133 2.537 1.00 0.00 N ATOM 435 CA ILE A 32 -0.114 8.752 3.289 1.00 0.00 C ATOM 436 C ILE A 32 -0.851 9.979 3.818 1.00 0.00 C ATOM 437 O ILE A 32 -2.077 10.063 3.729 1.00 0.00 O ATOM 438 CB ILE A 32 0.243 7.827 4.472 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.879 6.533 3.957 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.994 7.521 5.306 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.457 5.662 5.051 1.00 0.00 C ATOM 0 H ILE A 32 1.956 8.830 2.957 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.765 8.215 2.600 1.00 0.00 H new ATOM 0 HB ILE A 32 0.964 8.340 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.129 5.963 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.669 6.784 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.722 6.868 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.408 8.450 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.739 7.026 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.890 4.764 4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.231 6.214 5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.667 5.380 5.747 1.00 0.00 H new ATOM 453 N MET A 33 -0.100 10.928 4.367 1.00 0.00 N ATOM 454 CA MET A 33 -0.684 12.146 4.915 1.00 0.00 C ATOM 455 C MET A 33 -0.910 13.194 3.828 1.00 0.00 C ATOM 456 O MET A 33 -1.342 14.310 4.114 1.00 0.00 O ATOM 457 CB MET A 33 0.216 12.720 6.011 1.00 0.00 C ATOM 458 CG MET A 33 0.211 11.907 7.297 1.00 0.00 C ATOM 459 SD MET A 33 0.769 10.209 7.059 1.00 0.00 S ATOM 460 CE MET A 33 0.556 9.547 8.709 1.00 0.00 C ATOM 0 H MET A 33 0.916 10.876 4.444 1.00 0.00 H new ATOM 0 HA MET A 33 -1.652 11.886 5.343 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.237 12.781 5.635 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.103 13.738 6.234 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.852 12.395 8.031 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.797 11.898 7.711 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.860 8.500 8.723 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.170 10.113 9.410 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.492 9.624 9.000 1.00 0.00 H new ATOM 470 N ASP A 34 -0.620 12.831 2.582 1.00 0.00 N ATOM 471 CA ASP A 34 -0.800 13.750 1.463 1.00 0.00 C ATOM 472 C ASP A 34 -2.278 14.071 1.265 1.00 0.00 C ATOM 473 O ASP A 34 -3.121 13.175 1.246 1.00 0.00 O ATOM 474 CB ASP A 34 -0.213 13.157 0.181 1.00 0.00 C ATOM 475 CG ASP A 34 -0.259 14.132 -0.979 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.292 14.172 -1.679 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.737 14.856 -1.186 1.00 0.00 O ATOM 0 H ASP A 34 -0.261 11.912 2.323 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.271 14.675 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.820 12.859 0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.764 12.254 -0.084 1.00 0.00 H new ATOM 482 N ASP A 35 -2.584 15.357 1.120 1.00 0.00 N ATOM 483 CA ASP A 35 -3.962 15.806 0.933 1.00 0.00 C ATOM 484 C ASP A 35 -4.596 15.163 -0.297 1.00 0.00 C ATOM 485 O ASP A 35 -5.705 14.633 -0.227 1.00 0.00 O ATOM 486 CB ASP A 35 -4.008 17.330 0.807 1.00 0.00 C ATOM 487 CG ASP A 35 -3.505 18.027 2.057 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.288 18.296 2.138 1.00 0.00 O ATOM 489 OD2 ASP A 35 -4.328 18.303 2.955 1.00 0.00 O ATOM 0 H ASP A 35 -1.895 16.109 1.128 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.534 15.498 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.405 17.640 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.032 17.645 0.605 1.00 0.00 H new ATOM 494 N GLU A 36 -3.890 15.216 -1.423 1.00 0.00 N ATOM 495 CA GLU A 36 -4.389 14.641 -2.668 1.00 0.00 C ATOM 496 C GLU A 36 -4.602 13.136 -2.529 1.00 0.00 C ATOM 497 O GLU A 36 -5.410 12.545 -3.245 1.00 0.00 O ATOM 498 CB GLU A 36 -3.418 14.931 -3.814 1.00 0.00 C ATOM 499 CG GLU A 36 -3.911 14.451 -5.169 1.00 0.00 C ATOM 500 CD GLU A 36 -2.982 14.845 -6.298 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.049 14.071 -6.598 1.00 0.00 O ATOM 502 OE2 GLU A 36 -3.187 15.930 -6.883 1.00 0.00 O ATOM 0 H GLU A 36 -2.971 15.651 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.350 15.103 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.238 16.005 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.461 14.456 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.015 13.366 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.902 14.863 -5.358 1.00 0.00 H new ATOM 509 N PHE A 37 -3.875 12.523 -1.601 1.00 0.00 N ATOM 510 CA PHE A 37 -3.985 11.088 -1.368 1.00 0.00 C ATOM 511 C PHE A 37 -5.275 10.754 -0.627 1.00 0.00 C ATOM 512 O PHE A 37 -5.936 9.760 -0.931 1.00 0.00 O ATOM 513 CB PHE A 37 -2.778 10.586 -0.570 1.00 0.00 C ATOM 514 CG PHE A 37 -2.843 9.123 -0.230 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.521 8.163 -1.177 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.229 8.709 1.035 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.582 6.818 -0.867 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.291 7.365 1.350 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.968 6.418 0.397 1.00 0.00 C ATOM 0 H PHE A 37 -3.203 12.998 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.005 10.588 -2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.870 10.777 -1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.699 11.161 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.219 8.470 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.484 9.445 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.328 6.080 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.592 7.055 2.340 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.017 5.367 0.640 1.00 0.00 H new ATOM 529 N GLN A 38 -5.629 11.587 0.345 1.00 0.00 N ATOM 530 CA GLN A 38 -6.841 11.376 1.129 1.00 0.00 C ATOM 531 C GLN A 38 -8.086 11.581 0.274 1.00 0.00 C ATOM 532 O GLN A 38 -9.088 10.887 0.443 1.00 0.00 O ATOM 533 CB GLN A 38 -6.870 12.327 2.326 1.00 0.00 C ATOM 534 CG GLN A 38 -5.666 12.189 3.243 1.00 0.00 C ATOM 535 CD GLN A 38 -5.761 13.081 4.466 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.854 13.384 4.943 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.612 13.508 4.978 1.00 0.00 N ATOM 0 H GLN A 38 -5.094 12.415 0.609 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.835 10.347 1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.924 13.353 1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.777 12.145 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.573 11.151 3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.761 12.435 2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.729 13.231 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.613 14.112 5.800 1.00 0.00 H new ATOM 546 N LEU A 39 -8.013 12.539 -0.645 1.00 0.00 N ATOM 547 CA LEU A 39 -9.135 12.842 -1.527 1.00 0.00 C ATOM 548 C LEU A 39 -9.375 11.700 -2.513 1.00 0.00 C ATOM 549 O LEU A 39 -10.496 11.217 -2.656 1.00 0.00 O ATOM 550 CB LEU A 39 -8.866 14.147 -2.287 1.00 0.00 C ATOM 551 CG LEU A 39 -10.108 14.944 -2.706 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.966 14.148 -3.678 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.919 15.352 -1.485 1.00 0.00 C ATOM 0 H LEU A 39 -7.188 13.119 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.030 12.961 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.241 14.786 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.289 13.912 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.773 15.847 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.840 14.737 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.384 13.914 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.290 13.222 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.796 15.916 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.237 14.460 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.306 15.972 -0.831 1.00 0.00 H new ATOM 565 N LEU A 40 -8.311 11.274 -3.186 1.00 0.00 N ATOM 566 CA LEU A 40 -8.400 10.196 -4.168 1.00 0.00 C ATOM 567 C LEU A 40 -8.797 8.875 -3.512 1.00 0.00 C ATOM 568 O LEU A 40 -9.589 8.112 -4.065 1.00 0.00 O ATOM 569 CB LEU A 40 -7.059 10.046 -4.896 1.00 0.00 C ATOM 570 CG LEU A 40 -7.001 8.945 -5.958 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.082 9.357 -7.098 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.521 7.636 -5.346 1.00 0.00 C ATOM 0 H LEU A 40 -7.374 11.659 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.176 10.454 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.816 10.997 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.284 9.852 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.006 8.796 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.051 8.564 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.458 10.272 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.078 9.530 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.486 6.865 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.525 7.774 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.208 7.330 -4.557 1.00 0.00 H new ATOM 584 N GLN A 41 -8.245 8.612 -2.334 1.00 0.00 N ATOM 585 CA GLN A 41 -8.534 7.378 -1.611 1.00 0.00 C ATOM 586 C GLN A 41 -9.998 7.311 -1.186 1.00 0.00 C ATOM 587 O GLN A 41 -10.673 6.305 -1.407 1.00 0.00 O ATOM 588 CB GLN A 41 -7.630 7.265 -0.381 1.00 0.00 C ATOM 589 CG GLN A 41 -7.854 5.997 0.428 1.00 0.00 C ATOM 590 CD GLN A 41 -7.536 4.736 -0.354 1.00 0.00 C ATOM 591 OE1 GLN A 41 -8.154 3.691 -0.145 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.566 4.824 -1.256 1.00 0.00 N ATOM 0 H GLN A 41 -7.594 9.237 -1.858 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.338 6.543 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.589 7.302 -0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.796 8.130 0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.234 6.029 1.324 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.892 5.962 0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.080 5.709 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.307 4.006 -1.808 1.00 0.00 H new ATOM 601 N ARG A 42 -10.484 8.387 -0.576 1.00 0.00 N ATOM 602 CA ARG A 42 -11.865 8.447 -0.108 1.00 0.00 C ATOM 603 C ARG A 42 -12.848 8.502 -1.276 1.00 0.00 C ATOM 604 O ARG A 42 -13.958 7.977 -1.191 1.00 0.00 O ATOM 605 CB ARG A 42 -12.057 9.667 0.800 1.00 0.00 C ATOM 606 CG ARG A 42 -13.332 9.624 1.631 1.00 0.00 C ATOM 607 CD ARG A 42 -14.514 10.229 0.889 1.00 0.00 C ATOM 608 NE ARG A 42 -14.295 11.635 0.560 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.261 12.459 0.161 1.00 0.00 C ATOM 610 NH1 ARG A 42 -16.508 12.020 0.048 1.00 0.00 N ATOM 611 NH2 ARG A 42 -14.979 13.722 -0.125 1.00 0.00 N ATOM 0 H ARG A 42 -9.941 9.231 -0.394 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.069 7.538 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.201 9.747 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.066 10.567 0.185 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.559 8.591 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.175 10.164 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.693 9.666 -0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.412 10.136 1.500 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.348 12.006 0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.729 11.049 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.246 12.654 -0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.021 14.063 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.720 14.353 -0.431 1.00 0.00 H new ATOM 625 N ASN A 43 -12.430 9.133 -2.367 1.00 0.00 N ATOM 626 CA ASN A 43 -13.277 9.273 -3.549 1.00 0.00 C ATOM 627 C ASN A 43 -13.654 7.915 -4.137 1.00 0.00 C ATOM 628 O ASN A 43 -14.824 7.660 -4.424 1.00 0.00 O ATOM 629 CB ASN A 43 -12.564 10.121 -4.605 1.00 0.00 C ATOM 630 CG ASN A 43 -13.473 10.516 -5.754 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.403 9.790 -6.107 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.208 11.675 -6.343 1.00 0.00 N ATOM 0 H ASN A 43 -11.507 9.557 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.198 9.770 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.168 11.021 -4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.712 9.565 -4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.785 11.996 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.427 12.245 -6.018 1.00 0.00 H new ATOM 639 N PHE A 44 -12.663 7.048 -4.316 1.00 0.00 N ATOM 640 CA PHE A 44 -12.900 5.723 -4.884 1.00 0.00 C ATOM 641 C PHE A 44 -13.516 4.766 -3.867 1.00 0.00 C ATOM 642 O PHE A 44 -14.405 3.984 -4.203 1.00 0.00 O ATOM 643 CB PHE A 44 -11.595 5.139 -5.426 1.00 0.00 C ATOM 644 CG PHE A 44 -11.205 5.693 -6.766 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.665 6.962 -6.875 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.388 4.944 -7.918 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.310 7.475 -8.108 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.035 5.451 -9.154 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.496 6.719 -9.249 1.00 0.00 C ATOM 0 H PHE A 44 -11.690 7.237 -4.077 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.613 5.842 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.794 5.335 -4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.695 4.056 -5.504 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.519 7.558 -5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.811 3.953 -7.849 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.887 8.466 -8.180 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.180 4.857 -10.044 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.220 7.119 -10.214 1.00 0.00 H new ATOM 659 N MET A 45 -13.044 4.829 -2.626 1.00 0.00 N ATOM 660 CA MET A 45 -13.552 3.952 -1.572 1.00 0.00 C ATOM 661 C MET A 45 -15.044 4.181 -1.344 1.00 0.00 C ATOM 662 O MET A 45 -15.757 3.285 -0.891 1.00 0.00 O ATOM 663 CB MET A 45 -12.780 4.176 -0.270 1.00 0.00 C ATOM 664 CG MET A 45 -13.322 5.311 0.585 1.00 0.00 C ATOM 665 SD MET A 45 -12.387 5.541 2.111 1.00 0.00 S ATOM 666 CE MET A 45 -12.689 3.980 2.938 1.00 0.00 C ATOM 0 H MET A 45 -12.314 5.474 -2.324 1.00 0.00 H new ATOM 0 HA MET A 45 -13.408 2.921 -1.894 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.798 3.255 0.313 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.737 4.382 -0.509 1.00 0.00 H new ATOM 0 HG2 MET A 45 -13.302 6.236 0.009 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.365 5.110 0.830 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.494 4.090 4.005 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.727 3.684 2.788 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.030 3.216 2.525 1.00 0.00 H new ATOM 676 N ASP A 46 -15.504 5.387 -1.655 1.00 0.00 N ATOM 677 CA ASP A 46 -16.911 5.738 -1.485 1.00 0.00 C ATOM 678 C ASP A 46 -17.811 4.814 -2.301 1.00 0.00 C ATOM 679 O ASP A 46 -18.943 4.530 -1.909 1.00 0.00 O ATOM 680 CB ASP A 46 -17.147 7.192 -1.896 1.00 0.00 C ATOM 681 CG ASP A 46 -18.595 7.608 -1.738 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.980 8.006 -0.619 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.345 7.540 -2.736 1.00 0.00 O ATOM 0 H ASP A 46 -14.924 6.139 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.163 5.618 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.516 7.845 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.844 7.327 -2.934 1.00 0.00 H new ATOM 688 N LYS A 47 -17.303 4.349 -3.437 1.00 0.00 N ATOM 689 CA LYS A 47 -18.064 3.457 -4.307 1.00 0.00 C ATOM 690 C LYS A 47 -17.729 1.997 -4.024 1.00 0.00 C ATOM 691 O LYS A 47 -18.600 1.128 -4.073 1.00 0.00 O ATOM 692 CB LYS A 47 -17.777 3.777 -5.773 1.00 0.00 C ATOM 693 CG LYS A 47 -18.311 5.128 -6.221 1.00 0.00 C ATOM 694 CD LYS A 47 -19.829 5.176 -6.160 1.00 0.00 C ATOM 695 CE LYS A 47 -20.361 6.545 -6.551 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.978 6.915 -7.941 1.00 0.00 N ATOM 0 H LYS A 47 -16.368 4.574 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.123 3.614 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.700 3.750 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.214 2.998 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.896 5.912 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.980 5.331 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.245 4.420 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.161 4.930 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.447 6.552 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.979 7.294 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.509 7.760 -8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.958 7.116 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.199 6.128 -8.583 1.00 0.00 H new ATOM 710 N TYR A 48 -16.461 1.737 -3.736 1.00 0.00 N ATOM 711 CA TYR A 48 -16.000 0.384 -3.448 1.00 0.00 C ATOM 712 C TYR A 48 -16.744 -0.224 -2.262 1.00 0.00 C ATOM 713 O TYR A 48 -17.286 -1.324 -2.360 1.00 0.00 O ATOM 714 CB TYR A 48 -14.496 0.384 -3.165 1.00 0.00 C ATOM 715 CG TYR A 48 -13.632 0.335 -4.407 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.855 1.200 -5.472 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.589 -0.576 -4.511 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.063 1.157 -6.604 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.793 -0.625 -5.639 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.034 0.242 -6.682 1.00 0.00 C ATOM 721 OH TYR A 48 -11.245 0.198 -7.807 1.00 0.00 O ATOM 0 H TYR A 48 -15.730 2.447 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.206 -0.226 -4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.245 1.279 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.256 -0.472 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.660 1.917 -5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.397 -1.258 -3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.249 1.836 -7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.986 -1.340 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.695 0.666 -8.541 1.00 0.00 H new ATOM 731 N TYR A 49 -16.773 0.498 -1.145 1.00 0.00 N ATOM 732 CA TYR A 49 -17.439 0.013 0.060 1.00 0.00 C ATOM 733 C TYR A 49 -18.923 -0.259 -0.190 1.00 0.00 C ATOM 734 O TYR A 49 -19.570 -0.963 0.585 1.00 0.00 O ATOM 735 CB TYR A 49 -17.252 1.011 1.213 1.00 0.00 C ATOM 736 CG TYR A 49 -18.450 1.900 1.480 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.641 3.078 0.770 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.385 1.559 2.451 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.731 3.892 1.020 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.476 2.367 2.704 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.644 3.532 1.987 1.00 0.00 C ATOM 742 OH TYR A 49 -21.731 4.339 2.238 1.00 0.00 O ATOM 0 H TYR A 49 -16.344 1.419 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.977 -0.933 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.018 0.456 2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.390 1.641 0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.928 3.363 0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.256 0.648 3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.866 4.805 0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.194 2.087 3.460 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.277 3.941 2.948 1.00 0.00 H new ATOM 752 N LEU A 50 -19.455 0.300 -1.272 1.00 0.00 N ATOM 753 CA LEU A 50 -20.861 0.105 -1.617 1.00 0.00 C ATOM 754 C LEU A 50 -21.068 -1.241 -2.302 1.00 0.00 C ATOM 755 O LEU A 50 -22.009 -1.970 -1.988 1.00 0.00 O ATOM 756 CB LEU A 50 -21.353 1.236 -2.523 1.00 0.00 C ATOM 757 CG LEU A 50 -21.473 2.605 -1.849 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.824 3.673 -2.872 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.516 2.565 -0.742 1.00 0.00 C ATOM 0 H LEU A 50 -18.937 0.890 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.440 0.117 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.672 1.324 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.328 0.960 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.509 2.856 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.905 4.640 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.044 3.720 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.775 3.426 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.588 3.547 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.484 2.292 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.225 1.827 0.006 1.00 0.00 H new ATOM 771 N GLU A 51 -20.183 -1.563 -3.239 1.00 0.00 N ATOM 772 CA GLU A 51 -20.265 -2.825 -3.966 1.00 0.00 C ATOM 773 C GLU A 51 -19.904 -3.997 -3.057 1.00 0.00 C ATOM 774 O GLU A 51 -20.461 -5.088 -3.186 1.00 0.00 O ATOM 775 CB GLU A 51 -19.337 -2.796 -5.183 1.00 0.00 C ATOM 776 CG GLU A 51 -19.652 -1.676 -6.161 1.00 0.00 C ATOM 777 CD GLU A 51 -21.011 -1.837 -6.814 1.00 0.00 C ATOM 778 OE1 GLU A 51 -22.007 -1.345 -6.244 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.078 -2.457 -7.897 1.00 0.00 O ATOM 0 H GLU A 51 -19.401 -0.968 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.292 -2.958 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.307 -2.690 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.404 -3.751 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.615 -0.721 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.883 -1.646 -6.933 1.00 0.00 H new ATOM 786 N PHE A 52 -18.972 -3.762 -2.138 1.00 0.00 N ATOM 787 CA PHE A 52 -18.541 -4.796 -1.202 1.00 0.00 C ATOM 788 C PHE A 52 -19.520 -4.914 -0.040 1.00 0.00 C ATOM 789 O PHE A 52 -19.310 -4.330 1.024 1.00 0.00 O ATOM 790 CB PHE A 52 -17.137 -4.488 -0.674 1.00 0.00 C ATOM 791 CG PHE A 52 -16.036 -4.854 -1.630 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.766 -4.063 -2.734 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.272 -5.991 -1.420 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.754 -4.399 -3.613 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.258 -6.331 -2.296 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.999 -5.534 -3.393 1.00 0.00 C ATOM 0 H PHE A 52 -18.501 -2.865 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.517 -5.747 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.070 -3.424 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -16.985 -5.024 0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.353 -3.174 -2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.471 -6.618 -0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.554 -3.775 -4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.669 -7.219 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.207 -5.798 -4.078 1.00 0.00 H new ATOM 806 N GLU A 53 -20.595 -5.666 -0.253 1.00 0.00 N ATOM 807 CA GLU A 53 -21.609 -5.861 0.776 1.00 0.00 C ATOM 808 C GLU A 53 -21.485 -7.244 1.407 1.00 0.00 C ATOM 809 O GLU A 53 -21.170 -8.221 0.726 1.00 0.00 O ATOM 810 CB GLU A 53 -23.007 -5.681 0.183 1.00 0.00 C ATOM 811 CG GLU A 53 -23.301 -6.621 -0.975 1.00 0.00 C ATOM 812 CD GLU A 53 -24.672 -6.390 -1.581 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.643 -7.019 -1.110 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.775 -5.581 -2.527 1.00 0.00 O ATOM 0 H GLU A 53 -20.786 -6.151 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.452 -5.112 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.748 -5.840 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.119 -4.652 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.541 -6.491 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.230 -7.652 -0.628 1.00 0.00 H new ATOM 821 N ASP A 54 -21.734 -7.321 2.710 1.00 0.00 N ATOM 822 CA ASP A 54 -21.648 -8.585 3.433 1.00 0.00 C ATOM 823 C ASP A 54 -22.829 -9.488 3.093 1.00 0.00 C ATOM 824 O ASP A 54 -23.920 -9.334 3.644 1.00 0.00 O ATOM 825 CB ASP A 54 -21.597 -8.337 4.942 1.00 0.00 C ATOM 826 CG ASP A 54 -21.493 -9.625 5.736 1.00 0.00 C ATOM 827 OD1 ASP A 54 -20.357 -10.091 5.965 1.00 0.00 O ATOM 828 OD2 ASP A 54 -22.547 -10.167 6.128 1.00 0.00 O ATOM 0 H ASP A 54 -21.997 -6.522 3.287 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.730 -9.086 3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.743 -7.700 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.492 -7.795 5.249 1.00 0.00 H new ATOM 833 N THR A 55 -22.606 -10.427 2.179 1.00 0.00 N ATOM 834 CA THR A 55 -23.649 -11.358 1.765 1.00 0.00 C ATOM 835 C THR A 55 -23.088 -12.764 1.587 1.00 0.00 C ATOM 836 O THR A 55 -21.876 -12.974 1.657 1.00 0.00 O ATOM 837 CB THR A 55 -24.313 -10.914 0.448 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.325 -10.785 -0.581 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.043 -9.591 0.627 1.00 0.00 C ATOM 0 H THR A 55 -21.710 -10.563 1.710 1.00 0.00 H new ATOM 0 HA THR A 55 -24.399 -11.363 2.556 1.00 0.00 H new ATOM 0 HB THR A 55 -25.039 -11.674 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.293 -11.610 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.503 -9.299 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.815 -9.702 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.334 -8.823 0.938 1.00 0.00 H new ATOM 847 N GLU A 56 -23.977 -13.724 1.354 1.00 0.00 N ATOM 848 CA GLU A 56 -23.575 -15.112 1.165 1.00 0.00 C ATOM 849 C GLU A 56 -23.339 -15.415 -0.311 1.00 0.00 C ATOM 850 O GLU A 56 -22.746 -16.438 -0.657 1.00 0.00 O ATOM 851 CB GLU A 56 -24.641 -16.054 1.725 1.00 0.00 C ATOM 852 CG GLU A 56 -26.003 -15.887 1.071 1.00 0.00 C ATOM 853 CD GLU A 56 -27.010 -16.914 1.550 1.00 0.00 C ATOM 854 OE1 GLU A 56 -27.662 -16.669 2.586 1.00 0.00 O ATOM 855 OE2 GLU A 56 -27.146 -17.965 0.887 1.00 0.00 O ATOM 0 H GLU A 56 -24.983 -13.565 1.292 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.641 -15.269 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.309 -17.084 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -24.738 -15.883 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -26.382 -14.887 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.895 -15.967 -0.011 1.00 0.00 H new ATOM 862 N GLU A 57 -23.804 -14.521 -1.178 1.00 0.00 N ATOM 863 CA GLU A 57 -23.644 -14.697 -2.617 1.00 0.00 C ATOM 864 C GLU A 57 -22.425 -13.935 -3.127 1.00 0.00 C ATOM 865 O GLU A 57 -22.315 -12.723 -2.940 1.00 0.00 O ATOM 866 CB GLU A 57 -24.899 -14.226 -3.355 1.00 0.00 C ATOM 867 CG GLU A 57 -24.808 -14.379 -4.866 1.00 0.00 C ATOM 868 CD GLU A 57 -26.052 -13.887 -5.579 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.119 -12.680 -5.893 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.960 -14.709 -5.826 1.00 0.00 O ATOM 0 H GLU A 57 -24.294 -13.668 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 57 -23.494 -15.759 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -25.758 -14.790 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -25.081 -13.179 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.942 -13.827 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.644 -15.428 -5.112 1.00 0.00 H new ATOM 877 N ASN A 58 -21.511 -14.654 -3.772 1.00 0.00 N ATOM 878 CA ASN A 58 -20.304 -14.044 -4.312 1.00 0.00 C ATOM 879 C ASN A 58 -20.537 -13.568 -5.741 1.00 0.00 C ATOM 880 O ASN A 58 -21.248 -14.214 -6.511 1.00 0.00 O ATOM 881 CB ASN A 58 -19.143 -15.040 -4.275 1.00 0.00 C ATOM 882 CG ASN A 58 -19.429 -16.289 -5.084 1.00 0.00 C ATOM 883 OD1 ASN A 58 -19.136 -16.349 -6.278 1.00 0.00 O ATOM 884 ND2 ASN A 58 -20.002 -17.294 -4.435 1.00 0.00 N ATOM 0 H ASN A 58 -21.585 -15.659 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 58 -20.050 -13.182 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.243 -14.560 -4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.939 -15.319 -3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.217 -18.162 -4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.227 -17.199 -3.445 1.00 0.00 H new ATOM 891 N LYS A 59 -19.934 -12.437 -6.090 1.00 0.00 N ATOM 892 CA LYS A 59 -20.081 -11.875 -7.427 1.00 0.00 C ATOM 893 C LYS A 59 -18.740 -11.832 -8.151 1.00 0.00 C ATOM 894 O LYS A 59 -17.691 -11.695 -7.525 1.00 0.00 O ATOM 895 CB LYS A 59 -20.673 -10.466 -7.349 1.00 0.00 C ATOM 896 CG LYS A 59 -22.003 -10.403 -6.618 1.00 0.00 C ATOM 897 CD LYS A 59 -22.551 -8.986 -6.573 1.00 0.00 C ATOM 898 CE LYS A 59 -23.853 -8.919 -5.793 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.411 -7.539 -5.756 1.00 0.00 N ATOM 0 H LYS A 59 -19.339 -11.892 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.758 -12.518 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.961 -9.810 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.805 -10.080 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.722 -11.056 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.878 -10.778 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.816 -8.325 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.715 -8.625 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.581 -9.592 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.684 -9.269 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.299 -7.538 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.727 -6.900 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.597 -7.214 -6.726 1.00 0.00 H new ATOM 913 N LEU A 60 -18.783 -11.955 -9.473 1.00 0.00 N ATOM 914 CA LEU A 60 -17.570 -11.923 -10.281 1.00 0.00 C ATOM 915 C LEU A 60 -17.109 -10.485 -10.495 1.00 0.00 C ATOM 916 O LEU A 60 -16.019 -10.238 -11.010 1.00 0.00 O ATOM 917 CB LEU A 60 -17.811 -12.607 -11.631 1.00 0.00 C ATOM 918 CG LEU A 60 -16.566 -12.797 -12.501 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.557 -13.699 -11.804 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.948 -13.371 -13.857 1.00 0.00 C ATOM 0 H LEU A 60 -19.643 -12.078 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.787 -12.464 -9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.259 -13.584 -11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.539 -12.021 -12.191 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.103 -11.822 -12.656 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.679 -13.822 -12.439 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.260 -13.249 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.008 -14.673 -11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.051 -13.500 -14.463 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.435 -14.336 -13.719 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.632 -12.688 -14.361 1.00 0.00 H new ATOM 932 N ILE A 61 -17.953 -9.539 -10.090 1.00 0.00 N ATOM 933 CA ILE A 61 -17.645 -8.120 -10.234 1.00 0.00 C ATOM 934 C ILE A 61 -16.490 -7.709 -9.323 1.00 0.00 C ATOM 935 O ILE A 61 -15.883 -6.653 -9.508 1.00 0.00 O ATOM 936 CB ILE A 61 -18.880 -7.248 -9.918 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.631 -5.791 -10.319 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.235 -7.340 -8.440 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.441 -5.595 -11.808 1.00 0.00 C ATOM 0 H ILE A 61 -18.857 -9.731 -9.659 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.352 -7.960 -11.271 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.721 -7.625 -10.500 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.472 -5.183 -9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.746 -5.426 -9.797 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.107 -6.719 -8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.458 -8.376 -8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.394 -6.991 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.269 -4.539 -12.017 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.582 -6.176 -12.145 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.334 -5.929 -12.336 1.00 0.00 H new ATOM 951 N TYR A 62 -16.184 -8.554 -8.343 1.00 0.00 N ATOM 952 CA TYR A 62 -15.102 -8.272 -7.407 1.00 0.00 C ATOM 953 C TYR A 62 -13.738 -8.393 -8.081 1.00 0.00 C ATOM 954 O TYR A 62 -12.759 -7.804 -7.621 1.00 0.00 O ATOM 955 CB TYR A 62 -15.175 -9.216 -6.204 1.00 0.00 C ATOM 956 CG TYR A 62 -16.350 -8.949 -5.289 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.497 -7.722 -4.654 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.310 -9.925 -5.057 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.566 -7.476 -3.815 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.382 -9.688 -4.220 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.505 -8.463 -3.601 1.00 0.00 C ATOM 962 OH TYR A 62 -19.571 -8.223 -2.765 1.00 0.00 O ATOM 0 H TYR A 62 -16.668 -9.436 -8.177 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.222 -7.245 -7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.232 -10.244 -6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.252 -9.130 -5.630 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.763 -6.947 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.216 -10.887 -5.540 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.666 -6.517 -3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.120 -10.458 -4.051 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.862 -7.293 -2.865 1.00 0.00 H new ATOM 972 N THR A 63 -13.675 -9.154 -9.171 1.00 0.00 N ATOM 973 CA THR A 63 -12.419 -9.342 -9.893 1.00 0.00 C ATOM 974 C THR A 63 -11.988 -8.062 -10.621 1.00 0.00 C ATOM 975 O THR A 63 -10.861 -7.601 -10.440 1.00 0.00 O ATOM 976 CB THR A 63 -12.507 -10.507 -10.902 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.916 -11.705 -10.232 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.165 -10.738 -11.581 1.00 0.00 C ATOM 0 H THR A 63 -14.473 -9.647 -9.572 1.00 0.00 H new ATOM 0 HA THR A 63 -11.667 -9.588 -9.143 1.00 0.00 H new ATOM 0 HB THR A 63 -13.243 -10.244 -11.662 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.971 -12.439 -10.879 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.252 -11.564 -12.287 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.866 -9.835 -12.113 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.414 -10.981 -10.829 1.00 0.00 H new ATOM 986 N PRO A 64 -12.869 -7.459 -11.454 1.00 0.00 N ATOM 987 CA PRO A 64 -12.536 -6.225 -12.178 1.00 0.00 C ATOM 988 C PRO A 64 -12.314 -5.050 -11.233 1.00 0.00 C ATOM 989 O PRO A 64 -11.391 -4.256 -11.420 1.00 0.00 O ATOM 990 CB PRO A 64 -13.762 -5.977 -13.062 1.00 0.00 C ATOM 991 CG PRO A 64 -14.868 -6.719 -12.400 1.00 0.00 C ATOM 992 CD PRO A 64 -14.232 -7.925 -11.774 1.00 0.00 C ATOM 0 HA PRO A 64 -11.608 -6.323 -12.742 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.988 -4.913 -13.135 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.596 -6.338 -14.077 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.359 -6.101 -11.648 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.631 -7.009 -13.122 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.768 -8.245 -10.881 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.217 -8.773 -12.458 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.168 -4.944 -10.217 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.064 -3.871 -9.236 1.00 0.00 C ATOM 1002 C ILE A 65 -11.693 -3.878 -8.563 1.00 0.00 C ATOM 1003 O ILE A 65 -11.072 -2.829 -8.388 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.168 -3.984 -8.163 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.541 -3.734 -8.794 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.914 -3.006 -7.024 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.698 -4.000 -7.855 1.00 0.00 C ATOM 0 H ILE A 65 -13.940 -5.590 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.192 -2.930 -9.771 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.151 -4.993 -7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.592 -2.700 -9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.647 -4.366 -9.676 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.704 -3.102 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.951 -3.227 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.905 -1.988 -7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.638 -3.802 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.673 -5.041 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.617 -3.349 -6.985 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.224 -5.066 -8.191 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.925 -5.203 -7.545 1.00 0.00 C ATOM 1021 C PHE A 66 -8.809 -4.790 -8.498 1.00 0.00 C ATOM 1022 O PHE A 66 -7.871 -4.094 -8.108 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.704 -6.644 -7.079 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.414 -6.841 -6.335 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.315 -6.506 -4.994 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.300 -7.359 -6.977 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.128 -6.684 -4.307 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.111 -7.540 -6.295 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.025 -7.202 -4.958 1.00 0.00 C ATOM 0 H PHE A 66 -11.724 -5.945 -8.326 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.908 -4.546 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.533 -6.941 -6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.719 -7.304 -7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.174 -6.101 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.362 -7.624 -8.022 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.063 -6.418 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.250 -7.945 -6.807 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.097 -7.342 -4.423 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.919 -5.227 -9.749 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.926 -4.900 -10.764 1.00 0.00 C ATOM 1041 C ASN A 67 -7.850 -3.393 -10.974 1.00 0.00 C ATOM 1042 O ASN A 67 -6.805 -2.859 -11.346 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.267 -5.597 -12.083 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.309 -7.106 -11.946 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.602 -7.687 -11.121 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.138 -7.752 -12.756 1.00 0.00 N ATOM 0 H ASN A 67 -9.687 -5.809 -10.083 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.954 -5.252 -10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.233 -5.240 -12.440 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.528 -5.324 -12.837 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.207 -8.769 -12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.706 -7.232 -13.425 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.967 -2.714 -10.734 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.028 -1.266 -10.885 1.00 0.00 C ATOM 1055 C GLU A 68 -8.268 -0.584 -9.752 1.00 0.00 C ATOM 1056 O GLU A 68 -7.605 0.433 -9.958 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.482 -0.791 -10.899 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.628 0.716 -11.039 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.077 1.166 -11.026 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.719 1.132 -12.097 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.567 1.554 -9.945 1.00 0.00 O ATOM 0 H GLU A 68 -9.842 -3.144 -10.434 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.563 -0.998 -11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.006 -1.277 -11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.969 -1.111 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.092 1.206 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.160 1.038 -11.969 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.376 -1.154 -8.557 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.701 -0.614 -7.382 1.00 0.00 C ATOM 1070 C TYR A 69 -6.186 -0.711 -7.538 1.00 0.00 C ATOM 1071 O TYR A 69 -5.451 0.205 -7.165 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.148 -1.371 -6.129 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.698 -0.731 -4.834 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.457 0.264 -4.233 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.520 -1.125 -4.212 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.055 0.849 -3.047 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.111 -0.545 -3.027 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.882 0.442 -2.449 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.479 1.023 -1.268 1.00 0.00 O ATOM 0 H TYR A 69 -8.927 -1.993 -8.376 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.970 0.437 -7.281 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.236 -1.443 -6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.761 -2.389 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.376 0.586 -4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.914 -1.897 -4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.657 1.621 -2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.193 -0.863 -2.556 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.086 1.759 -1.042 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.728 -1.828 -8.091 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.303 -2.051 -8.299 1.00 0.00 C ATOM 1091 C ILE A 70 -3.779 -1.205 -9.454 1.00 0.00 C ATOM 1092 O ILE A 70 -2.611 -0.821 -9.479 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.007 -3.539 -8.579 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.605 -4.420 -7.476 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.507 -3.772 -8.701 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.052 -4.135 -6.095 1.00 0.00 C ATOM 0 H ILE A 70 -6.324 -2.594 -8.404 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.794 -1.756 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.472 -3.812 -9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.686 -4.281 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.422 -5.466 -7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.318 -4.827 -8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.111 -3.173 -9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.017 -3.483 -7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.524 -4.798 -5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.975 -4.303 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.259 -3.099 -5.827 1.00 0.00 H new ATOM 1108 N SER A 71 -4.647 -0.919 -10.413 1.00 0.00 N ATOM 1109 CA SER A 71 -4.263 -0.121 -11.569 1.00 0.00 C ATOM 1110 C SER A 71 -4.110 1.353 -11.198 1.00 0.00 C ATOM 1111 O SER A 71 -3.185 2.023 -11.658 1.00 0.00 O ATOM 1112 CB SER A 71 -5.303 -0.272 -12.680 1.00 0.00 C ATOM 1113 OG SER A 71 -4.941 0.480 -13.826 1.00 0.00 O ATOM 0 H SER A 71 -5.620 -1.226 -10.414 1.00 0.00 H new ATOM 0 HA SER A 71 -3.299 -0.485 -11.924 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.402 -1.324 -12.948 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.277 0.058 -12.318 1.00 0.00 H new ATOM 0 HG SER A 71 -5.622 0.365 -14.521 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.025 1.854 -10.374 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.000 3.254 -9.958 1.00 0.00 C ATOM 1121 C LEU A 72 -4.180 3.481 -8.685 1.00 0.00 C ATOM 1122 O LEU A 72 -3.180 4.198 -8.699 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.427 3.759 -9.739 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.542 5.234 -9.349 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.039 6.060 -10.524 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.461 5.396 -8.149 1.00 0.00 C ATOM 0 H LEU A 72 -5.794 1.312 -9.980 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.518 3.812 -10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.998 3.596 -10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.893 3.156 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.552 5.597 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.114 7.106 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.340 5.968 -11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.020 5.699 -10.833 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.532 6.451 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.452 5.017 -8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.059 4.837 -7.304 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.611 2.859 -7.588 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.951 3.026 -6.291 1.00 0.00 C ATOM 1140 C VAL A 73 -2.538 2.448 -6.250 1.00 0.00 C ATOM 1141 O VAL A 73 -1.578 3.175 -5.996 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.783 2.394 -5.159 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.119 2.624 -3.810 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.197 2.953 -5.167 1.00 0.00 C ATOM 0 H VAL A 73 -5.416 2.233 -7.571 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.873 4.103 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.837 1.319 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.723 2.170 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.127 2.173 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.031 3.695 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.773 2.497 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.162 4.033 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.671 2.730 -6.123 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.407 1.145 -6.481 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.097 0.497 -6.440 1.00 0.00 C ATOM 1156 C GLU A 74 -0.093 1.235 -7.323 1.00 0.00 C ATOM 1157 O GLU A 74 1.074 1.377 -6.960 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.205 -0.968 -6.874 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.036 -1.834 -6.423 1.00 0.00 C ATOM 1160 CD GLU A 74 1.253 -1.512 -7.155 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.355 -1.847 -8.354 1.00 0.00 O ATOM 1162 OE2 GLU A 74 2.163 -0.928 -6.528 1.00 0.00 O ATOM 0 H GLU A 74 -3.184 0.520 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.739 0.532 -5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.129 -1.387 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.277 -1.010 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.117 -1.700 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.285 -2.883 -6.581 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.552 1.715 -8.473 1.00 0.00 N ATOM 1170 CA LYS A 75 0.316 2.440 -9.394 1.00 0.00 C ATOM 1171 C LYS A 75 0.548 3.869 -8.915 1.00 0.00 C ATOM 1172 O LYS A 75 1.542 4.499 -9.273 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.282 2.447 -10.802 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.259 1.086 -11.481 1.00 0.00 C ATOM 1175 CD LYS A 75 1.164 0.608 -11.733 1.00 0.00 C ATOM 1176 CE LYS A 75 1.868 1.467 -12.771 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.167 1.435 -14.083 1.00 0.00 N ATOM 0 H LYS A 75 -1.517 1.616 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 75 1.277 1.927 -9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.312 2.799 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.267 3.160 -11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.782 0.360 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.797 1.142 -12.427 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.726 0.630 -10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.146 -0.429 -12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.924 2.495 -12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.893 1.117 -12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.806 1.781 -14.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.880 0.459 -14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.324 2.043 -14.041 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.375 4.377 -8.105 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.262 5.731 -7.574 1.00 0.00 C ATOM 1193 C TYR A 76 0.966 5.858 -6.676 1.00 0.00 C ATOM 1194 O TYR A 76 1.787 6.757 -6.854 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.524 6.106 -6.790 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.553 7.548 -6.331 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.014 7.919 -5.104 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -2.120 8.536 -7.124 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.041 9.236 -4.683 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -2.150 9.855 -6.710 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.610 10.199 -5.489 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.637 11.511 -5.076 1.00 0.00 O ATOM 0 H TYR A 76 -1.208 3.873 -7.802 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.152 6.416 -8.414 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.398 5.915 -7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.606 5.456 -5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.567 7.167 -4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.545 8.270 -8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.618 9.509 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.594 10.612 -7.340 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.782 12.095 -5.850 1.00 0.00 H new ATOM 1212 N ILE A 77 1.084 4.948 -5.713 1.00 0.00 N ATOM 1213 CA ILE A 77 2.209 4.955 -4.783 1.00 0.00 C ATOM 1214 C ILE A 77 3.498 4.505 -5.469 1.00 0.00 C ATOM 1215 O ILE A 77 4.571 5.049 -5.210 1.00 0.00 O ATOM 1216 CB ILE A 77 1.940 4.037 -3.572 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.640 4.444 -2.871 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.111 4.086 -2.599 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.204 3.477 -1.789 1.00 0.00 C ATOM 0 H ILE A 77 0.413 4.196 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 77 2.325 5.982 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 77 1.832 3.013 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.769 5.433 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.153 4.526 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.906 3.433 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.018 3.752 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.248 5.108 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.723 3.830 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.043 2.491 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.978 3.413 -1.025 1.00 0.00 H new ATOM 1231 N GLU A 78 3.381 3.512 -6.346 1.00 0.00 N ATOM 1232 CA GLU A 78 4.536 2.981 -7.064 1.00 0.00 C ATOM 1233 C GLU A 78 5.204 4.052 -7.922 1.00 0.00 C ATOM 1234 O GLU A 78 6.422 4.224 -7.876 1.00 0.00 O ATOM 1235 CB GLU A 78 4.113 1.800 -7.942 1.00 0.00 C ATOM 1236 CG GLU A 78 5.273 1.132 -8.662 1.00 0.00 C ATOM 1237 CD GLU A 78 4.848 -0.106 -9.427 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.456 0.030 -10.605 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.910 -1.212 -8.848 1.00 0.00 O ATOM 0 H GLU A 78 2.497 3.058 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 78 5.261 2.643 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.606 1.060 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.390 2.147 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.726 1.844 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.039 0.861 -7.936 1.00 0.00 H new ATOM 1246 N GLU A 79 4.402 4.769 -8.704 1.00 0.00 N ATOM 1247 CA GLU A 79 4.922 5.818 -9.576 1.00 0.00 C ATOM 1248 C GLU A 79 5.503 6.975 -8.768 1.00 0.00 C ATOM 1249 O GLU A 79 6.548 7.522 -9.121 1.00 0.00 O ATOM 1250 CB GLU A 79 3.824 6.333 -10.510 1.00 0.00 C ATOM 1251 CG GLU A 79 3.374 5.312 -11.542 1.00 0.00 C ATOM 1252 CD GLU A 79 2.287 5.847 -12.453 1.00 0.00 C ATOM 1253 OE1 GLU A 79 1.106 5.820 -12.048 1.00 0.00 O ATOM 1254 OE2 GLU A 79 2.618 6.294 -13.572 1.00 0.00 O ATOM 0 H GLU A 79 3.391 4.643 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 79 5.723 5.383 -10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.964 6.637 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.185 7.223 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.230 5.007 -12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.009 4.421 -11.031 1.00 0.00 H new ATOM 1261 N GLN A 80 4.828 7.339 -7.680 1.00 0.00 N ATOM 1262 CA GLN A 80 5.280 8.438 -6.828 1.00 0.00 C ATOM 1263 C GLN A 80 6.685 8.180 -6.290 1.00 0.00 C ATOM 1264 O GLN A 80 7.473 9.111 -6.120 1.00 0.00 O ATOM 1265 CB GLN A 80 4.305 8.650 -5.668 1.00 0.00 C ATOM 1266 CG GLN A 80 3.045 9.403 -6.062 1.00 0.00 C ATOM 1267 CD GLN A 80 3.328 10.822 -6.524 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.611 11.366 -7.362 1.00 0.00 O ATOM 1269 NE2 GLN A 80 4.375 11.428 -5.974 1.00 0.00 N ATOM 0 H GLN A 80 3.967 6.890 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 80 5.310 9.341 -7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.025 7.680 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.812 9.198 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.537 8.860 -6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.363 9.432 -5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.942 10.938 -5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.611 12.383 -6.244 1.00 0.00 H new ATOM 1278 N LEU A 81 6.991 6.915 -6.022 1.00 0.00 N ATOM 1279 CA LEU A 81 8.304 6.542 -5.507 1.00 0.00 C ATOM 1280 C LEU A 81 9.353 6.567 -6.616 1.00 0.00 C ATOM 1281 O LEU A 81 10.504 6.939 -6.385 1.00 0.00 O ATOM 1282 CB LEU A 81 8.249 5.152 -4.871 1.00 0.00 C ATOM 1283 CG LEU A 81 7.373 5.044 -3.621 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.257 3.594 -3.178 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.938 5.900 -2.497 1.00 0.00 C ATOM 0 H LEU A 81 6.350 6.132 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 81 8.589 7.270 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.883 4.444 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.263 4.847 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 81 6.377 5.412 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.631 3.535 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.808 3.004 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.249 3.203 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.302 5.810 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.945 5.562 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.972 6.942 -2.815 1.00 0.00 H new ATOM 1297 N LEU A 82 8.947 6.173 -7.818 1.00 0.00 N ATOM 1298 CA LEU A 82 9.854 6.150 -8.962 1.00 0.00 C ATOM 1299 C LEU A 82 10.260 7.564 -9.373 1.00 0.00 C ATOM 1300 O LEU A 82 11.300 7.760 -10.002 1.00 0.00 O ATOM 1301 CB LEU A 82 9.205 5.427 -10.145 1.00 0.00 C ATOM 1302 CG LEU A 82 8.940 3.934 -9.932 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.204 3.346 -11.125 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.245 3.186 -9.692 1.00 0.00 C ATOM 0 H LEU A 82 7.997 5.865 -8.026 1.00 0.00 H new ATOM 0 HA LEU A 82 10.752 5.609 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.260 5.918 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.847 5.545 -11.018 1.00 0.00 H new ATOM 0 HG LEU A 82 8.311 3.822 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.025 2.284 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.251 3.859 -11.253 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.808 3.473 -12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.035 2.127 -9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.899 3.308 -10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.736 3.587 -8.805 1.00 0.00 H new ATOM 1316 N GLN A 83 9.433 8.542 -9.017 1.00 0.00 N ATOM 1317 CA GLN A 83 9.706 9.938 -9.351 1.00 0.00 C ATOM 1318 C GLN A 83 11.042 10.401 -8.773 1.00 0.00 C ATOM 1319 O GLN A 83 11.638 11.361 -9.262 1.00 0.00 O ATOM 1320 CB GLN A 83 8.581 10.840 -8.839 1.00 0.00 C ATOM 1321 CG GLN A 83 7.246 10.600 -9.524 1.00 0.00 C ATOM 1322 CD GLN A 83 6.196 11.623 -9.134 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.214 12.153 -8.023 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.276 11.906 -10.048 1.00 0.00 N ATOM 0 H GLN A 83 8.568 8.395 -8.497 1.00 0.00 H new ATOM 0 HA GLN A 83 9.761 10.010 -10.437 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.462 10.685 -7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.870 11.882 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.387 10.624 -10.605 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.887 9.602 -9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.300 11.442 -10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.545 12.587 -9.842 1.00 0.00 H new ATOM 1333 N ARG A 84 11.507 9.719 -7.731 1.00 0.00 N ATOM 1334 CA ARG A 84 12.773 10.072 -7.095 1.00 0.00 C ATOM 1335 C ARG A 84 13.751 8.901 -7.120 1.00 0.00 C ATOM 1336 O ARG A 84 14.962 9.091 -7.004 1.00 0.00 O ATOM 1337 CB ARG A 84 12.534 10.524 -5.652 1.00 0.00 C ATOM 1338 CG ARG A 84 11.743 11.819 -5.542 1.00 0.00 C ATOM 1339 CD ARG A 84 11.463 12.178 -4.091 1.00 0.00 C ATOM 1340 NE ARG A 84 10.542 11.235 -3.463 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.795 11.528 -2.403 1.00 0.00 C ATOM 1342 NH1 ARG A 84 9.866 12.730 -1.846 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.975 10.617 -1.898 1.00 0.00 N ATOM 0 H ARG A 84 11.029 8.922 -7.310 1.00 0.00 H new ATOM 0 HA ARG A 84 13.213 10.894 -7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.003 9.737 -5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.496 10.653 -5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.298 12.627 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.801 11.719 -6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.400 12.195 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.044 13.183 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 84 10.468 10.298 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.496 13.434 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.291 12.950 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.917 9.691 -2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.402 10.842 -1.085 1.00 0.00 H new ATOM 1357 N ILE A 85 13.220 7.691 -7.274 1.00 0.00 N ATOM 1358 CA ILE A 85 14.051 6.492 -7.317 1.00 0.00 C ATOM 1359 C ILE A 85 13.699 5.629 -8.531 1.00 0.00 C ATOM 1360 O ILE A 85 12.796 4.795 -8.462 1.00 0.00 O ATOM 1361 CB ILE A 85 13.888 5.646 -6.036 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.035 6.526 -4.791 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.910 4.518 -6.018 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.673 5.821 -3.500 1.00 0.00 C ATOM 0 H ILE A 85 12.220 7.515 -7.371 1.00 0.00 H new ATOM 0 HA ILE A 85 15.086 6.824 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 85 12.889 5.209 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.064 6.878 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.403 7.407 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.785 3.928 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.762 3.879 -6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.916 4.938 -6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.802 6.507 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.635 5.492 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.322 4.956 -3.364 1.00 0.00 H new ATOM 1376 N PRO A 86 14.405 5.820 -9.664 1.00 0.00 N ATOM 1377 CA PRO A 86 14.151 5.050 -10.887 1.00 0.00 C ATOM 1378 C PRO A 86 14.676 3.622 -10.794 1.00 0.00 C ATOM 1379 O PRO A 86 14.481 2.817 -11.705 1.00 0.00 O ATOM 1380 CB PRO A 86 14.909 5.834 -11.958 1.00 0.00 C ATOM 1381 CG PRO A 86 16.028 6.486 -11.223 1.00 0.00 C ATOM 1382 CD PRO A 86 15.502 6.793 -9.845 1.00 0.00 C ATOM 0 HA PRO A 86 13.085 4.944 -11.091 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.281 5.176 -12.743 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.267 6.572 -12.438 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.895 5.828 -11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.348 7.397 -11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.274 6.672 -9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.143 7.820 -9.773 1.00 0.00 H new ATOM 1390 N GLU A 87 15.341 3.319 -9.686 1.00 0.00 N ATOM 1391 CA GLU A 87 15.897 1.990 -9.464 1.00 0.00 C ATOM 1392 C GLU A 87 15.144 1.271 -8.350 1.00 0.00 C ATOM 1393 O GLU A 87 15.619 0.273 -7.806 1.00 0.00 O ATOM 1394 CB GLU A 87 17.382 2.092 -9.108 1.00 0.00 C ATOM 1395 CG GLU A 87 18.225 2.749 -10.189 1.00 0.00 C ATOM 1396 CD GLU A 87 19.686 2.870 -9.800 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.052 3.886 -9.174 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.463 1.946 -10.120 1.00 0.00 O ATOM 0 H GLU A 87 15.509 3.978 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 87 15.789 1.415 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.487 2.659 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.770 1.092 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.145 2.169 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.827 3.741 -10.402 1.00 0.00 H new ATOM 1405 N PHE A 88 13.963 1.784 -8.020 1.00 0.00 N ATOM 1406 CA PHE A 88 13.138 1.199 -6.969 1.00 0.00 C ATOM 1407 C PHE A 88 12.361 -0.006 -7.487 1.00 0.00 C ATOM 1408 O PHE A 88 11.976 -0.054 -8.656 1.00 0.00 O ATOM 1409 CB PHE A 88 12.165 2.245 -6.418 1.00 0.00 C ATOM 1410 CG PHE A 88 11.389 1.776 -5.219 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.914 1.909 -3.944 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.135 1.206 -5.368 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.204 1.480 -2.839 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.419 0.776 -4.266 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.955 0.913 -3.001 1.00 0.00 C ATOM 0 H PHE A 88 13.555 2.605 -8.466 1.00 0.00 H new ATOM 0 HA PHE A 88 13.799 0.864 -6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.723 3.142 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.465 2.528 -7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.890 2.353 -3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.712 1.096 -6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.625 1.588 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.442 0.334 -4.395 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.398 0.577 -2.139 1.00 0.00 H new ATOM 1425 N ASN A 89 12.136 -0.976 -6.607 1.00 0.00 N ATOM 1426 CA ASN A 89 11.398 -2.180 -6.964 1.00 0.00 C ATOM 1427 C ASN A 89 10.321 -2.471 -5.924 1.00 0.00 C ATOM 1428 O ASN A 89 10.606 -3.006 -4.852 1.00 0.00 O ATOM 1429 CB ASN A 89 12.349 -3.373 -7.084 1.00 0.00 C ATOM 1430 CG ASN A 89 11.639 -4.637 -7.525 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.644 -4.584 -8.248 1.00 0.00 O ATOM 1432 ND2 ASN A 89 12.147 -5.782 -7.089 1.00 0.00 N ATOM 0 H ASN A 89 12.456 -0.951 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 89 10.918 -2.017 -7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.138 -3.135 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.832 -3.547 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.711 -6.666 -7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.974 -5.778 -6.491 1.00 0.00 H new ATOM 1439 N MET A 90 9.083 -2.107 -6.246 1.00 0.00 N ATOM 1440 CA MET A 90 7.959 -2.316 -5.340 1.00 0.00 C ATOM 1441 C MET A 90 7.722 -3.802 -5.085 1.00 0.00 C ATOM 1442 O MET A 90 7.055 -4.178 -4.123 1.00 0.00 O ATOM 1443 CB MET A 90 6.694 -1.677 -5.919 1.00 0.00 C ATOM 1444 CG MET A 90 5.545 -1.585 -4.929 1.00 0.00 C ATOM 1445 SD MET A 90 5.930 -0.537 -3.512 1.00 0.00 S ATOM 1446 CE MET A 90 4.332 -0.453 -2.708 1.00 0.00 C ATOM 0 H MET A 90 8.833 -1.665 -7.130 1.00 0.00 H new ATOM 0 HA MET A 90 8.200 -1.844 -4.388 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.935 -0.676 -6.276 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.370 -2.255 -6.785 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.664 -1.193 -5.437 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.292 -2.585 -4.578 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.408 0.163 -1.812 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.604 -0.013 -3.390 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.010 -1.457 -2.432 1.00 0.00 H new ATOM 1456 N ALA A 91 8.277 -4.644 -5.951 1.00 0.00 N ATOM 1457 CA ALA A 91 8.120 -6.088 -5.818 1.00 0.00 C ATOM 1458 C ALA A 91 8.947 -6.634 -4.658 1.00 0.00 C ATOM 1459 O ALA A 91 8.410 -7.245 -3.733 1.00 0.00 O ATOM 1460 CB ALA A 91 8.510 -6.782 -7.115 1.00 0.00 C ATOM 0 H ALA A 91 8.838 -4.352 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 91 7.070 -6.292 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.388 -7.859 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.871 -6.427 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.550 -6.557 -7.349 1.00 0.00 H new ATOM 1466 N ALA A 92 10.256 -6.405 -4.711 1.00 0.00 N ATOM 1467 CA ALA A 92 11.158 -6.877 -3.667 1.00 0.00 C ATOM 1468 C ALA A 92 10.946 -6.112 -2.364 1.00 0.00 C ATOM 1469 O ALA A 92 11.199 -6.636 -1.278 1.00 0.00 O ATOM 1470 CB ALA A 92 12.604 -6.749 -4.123 1.00 0.00 C ATOM 0 H ALA A 92 10.715 -5.895 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 92 10.935 -7.928 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.267 -7.105 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.756 -7.346 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.826 -5.704 -4.340 1.00 0.00 H new ATOM 1476 N PHE A 93 10.481 -4.874 -2.482 1.00 0.00 N ATOM 1477 CA PHE A 93 10.240 -4.034 -1.313 1.00 0.00 C ATOM 1478 C PHE A 93 9.104 -4.588 -0.460 1.00 0.00 C ATOM 1479 O PHE A 93 9.252 -4.755 0.751 1.00 0.00 O ATOM 1480 CB PHE A 93 9.921 -2.601 -1.747 1.00 0.00 C ATOM 1481 CG PHE A 93 9.574 -1.688 -0.604 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.526 -1.350 0.344 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.296 -1.168 -0.481 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.207 -0.510 1.396 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.973 -0.329 0.567 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.930 0.001 1.508 1.00 0.00 C ATOM 0 H PHE A 93 10.263 -4.429 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 93 11.147 -4.031 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.780 -2.192 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.089 -2.620 -2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.527 -1.746 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.544 -1.422 -1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.957 -0.254 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.973 0.069 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.679 0.657 2.329 1.00 0.00 H new ATOM 1496 N THR A 94 7.970 -4.871 -1.094 1.00 0.00 N ATOM 1497 CA THR A 94 6.811 -5.401 -0.387 1.00 0.00 C ATOM 1498 C THR A 94 7.103 -6.774 0.210 1.00 0.00 C ATOM 1499 O THR A 94 6.702 -7.067 1.336 1.00 0.00 O ATOM 1500 CB THR A 94 5.585 -5.507 -1.312 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.917 -6.265 -2.482 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.092 -4.126 -1.716 1.00 0.00 C ATOM 0 H THR A 94 7.830 -4.742 -2.096 1.00 0.00 H new ATOM 0 HA THR A 94 6.591 -4.700 0.418 1.00 0.00 H new ATOM 0 HB THR A 94 4.788 -6.014 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.324 -5.674 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.225 -4.226 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.812 -3.565 -0.825 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.885 -3.597 -2.244 1.00 0.00 H new ATOM 1510 N THR A 95 7.803 -7.611 -0.550 1.00 0.00 N ATOM 1511 CA THR A 95 8.147 -8.955 -0.093 1.00 0.00 C ATOM 1512 C THR A 95 8.894 -8.913 1.236 1.00 0.00 C ATOM 1513 O THR A 95 8.577 -9.659 2.163 1.00 0.00 O ATOM 1514 CB THR A 95 9.013 -9.696 -1.130 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.351 -9.710 -2.402 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.293 -11.123 -0.685 1.00 0.00 C ATOM 0 H THR A 95 8.143 -7.383 -1.484 1.00 0.00 H new ATOM 0 HA THR A 95 7.208 -9.492 0.039 1.00 0.00 H new ATOM 0 HB THR A 95 9.962 -9.168 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.421 -8.825 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.906 -11.624 -1.434 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.823 -11.110 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.351 -11.659 -0.569 1.00 0.00 H new ATOM 1524 N THR A 96 9.886 -8.033 1.323 1.00 0.00 N ATOM 1525 CA THR A 96 10.682 -7.887 2.535 1.00 0.00 C ATOM 1526 C THR A 96 9.904 -7.148 3.621 1.00 0.00 C ATOM 1527 O THR A 96 10.113 -7.374 4.811 1.00 0.00 O ATOM 1528 CB THR A 96 11.995 -7.131 2.251 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.747 -7.818 1.243 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.838 -6.998 3.510 1.00 0.00 C ATOM 0 H THR A 96 10.158 -7.408 0.564 1.00 0.00 H new ATOM 0 HA THR A 96 10.917 -8.892 2.885 1.00 0.00 H new ATOM 0 HB THR A 96 11.738 -6.131 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.415 -7.563 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.757 -6.460 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.278 -6.448 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.084 -7.990 3.890 1.00 0.00 H new ATOM 1538 N LEU A 97 9.003 -6.268 3.197 1.00 0.00 N ATOM 1539 CA LEU A 97 8.192 -5.487 4.126 1.00 0.00 C ATOM 1540 C LEU A 97 7.276 -6.387 4.953 1.00 0.00 C ATOM 1541 O LEU A 97 7.036 -6.126 6.132 1.00 0.00 O ATOM 1542 CB LEU A 97 7.360 -4.454 3.362 1.00 0.00 C ATOM 1543 CG LEU A 97 7.266 -3.072 4.016 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.466 -2.122 3.139 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.637 -3.171 5.400 1.00 0.00 C ATOM 0 H LEU A 97 8.815 -6.077 2.213 1.00 0.00 H new ATOM 0 HA LEU A 97 8.867 -4.971 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.784 -4.337 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.351 -4.847 3.236 1.00 0.00 H new ATOM 0 HG LEU A 97 8.276 -2.678 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.409 -1.145 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.955 -2.023 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.460 -2.517 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.580 -2.178 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.634 -3.588 5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.246 -3.818 6.031 1.00 0.00 H new ATOM 1557 N GLN A 98 6.772 -7.448 4.328 1.00 0.00 N ATOM 1558 CA GLN A 98 5.867 -8.381 4.997 1.00 0.00 C ATOM 1559 C GLN A 98 6.426 -8.848 6.338 1.00 0.00 C ATOM 1560 O GLN A 98 5.699 -8.911 7.330 1.00 0.00 O ATOM 1561 CB GLN A 98 5.593 -9.591 4.102 1.00 0.00 C ATOM 1562 CG GLN A 98 4.793 -9.259 2.854 1.00 0.00 C ATOM 1563 CD GLN A 98 4.529 -10.477 1.989 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.324 -11.416 1.956 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.404 -10.467 1.282 1.00 0.00 N ATOM 0 H GLN A 98 6.975 -7.684 3.357 1.00 0.00 H new ATOM 0 HA GLN A 98 4.934 -7.850 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.543 -10.035 3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.055 -10.344 4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.843 -8.811 3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.331 -8.513 2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.773 -9.668 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.171 -11.259 0.682 1.00 0.00 H new ATOM 1574 N HIS A 99 7.714 -9.177 6.369 1.00 0.00 N ATOM 1575 CA HIS A 99 8.346 -9.634 7.602 1.00 0.00 C ATOM 1576 C HIS A 99 8.998 -8.468 8.341 1.00 0.00 C ATOM 1577 O HIS A 99 9.095 -8.473 9.570 1.00 0.00 O ATOM 1578 CB HIS A 99 9.386 -10.720 7.308 1.00 0.00 C ATOM 1579 CG HIS A 99 10.579 -10.228 6.548 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.629 -9.563 7.147 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.890 -10.312 5.233 1.00 0.00 C ATOM 1582 CE1 HIS A 99 12.532 -9.258 6.234 1.00 0.00 C ATOM 1583 NE2 HIS A 99 12.109 -9.702 5.065 1.00 0.00 N ATOM 0 H HIS A 99 8.336 -9.136 5.562 1.00 0.00 H new ATOM 0 HA HIS A 99 7.570 -10.058 8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.721 -11.153 8.251 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.911 -11.520 6.741 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.697 -9.342 8.140 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.292 -10.772 4.461 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.459 -8.734 6.413 1.00 0.00 H new ATOM 1592 N HIS A 100 9.429 -7.463 7.586 1.00 0.00 N ATOM 1593 CA HIS A 100 10.070 -6.292 8.171 1.00 0.00 C ATOM 1594 C HIS A 100 9.059 -5.457 8.949 1.00 0.00 C ATOM 1595 O HIS A 100 9.418 -4.476 9.598 1.00 0.00 O ATOM 1596 CB HIS A 100 10.728 -5.440 7.087 1.00 0.00 C ATOM 1597 CG HIS A 100 11.812 -4.546 7.606 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.562 -3.360 8.264 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.160 -4.675 7.565 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.709 -2.799 8.607 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.692 -3.577 8.195 1.00 0.00 N ATOM 0 H HIS A 100 9.346 -7.436 6.570 1.00 0.00 H new ATOM 0 HA HIS A 100 10.841 -6.638 8.860 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.144 -6.096 6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.966 -4.830 6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.713 -5.489 7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 100 12.822 -1.863 9.135 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.687 -3.392 8.324 1.00 0.00 H new ATOM 1610 N LYS A 101 7.790 -5.851 8.870 1.00 0.00 N ATOM 1611 CA LYS A 101 6.727 -5.145 9.574 1.00 0.00 C ATOM 1612 C LYS A 101 6.969 -5.177 11.078 1.00 0.00 C ATOM 1613 O LYS A 101 6.479 -4.321 11.816 1.00 0.00 O ATOM 1614 CB LYS A 101 5.369 -5.773 9.252 1.00 0.00 C ATOM 1615 CG LYS A 101 4.199 -5.070 9.921 1.00 0.00 C ATOM 1616 CD LYS A 101 2.863 -5.610 9.433 1.00 0.00 C ATOM 1617 CE LYS A 101 2.634 -7.046 9.878 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.320 -8.026 8.989 1.00 0.00 N ATOM 0 H LYS A 101 7.475 -6.654 8.326 1.00 0.00 H new ATOM 0 HA LYS A 101 6.726 -4.107 9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.220 -5.761 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.379 -6.818 9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.269 -5.195 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.254 -4.000 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.057 -4.980 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.826 -5.557 8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.994 -7.170 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.564 -7.255 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.631 -8.726 8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.738 -7.526 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.071 -8.511 9.521 1.00 0.00 H new ATOM 1632 N ASP A 102 7.733 -6.170 11.525 1.00 0.00 N ATOM 1633 CA ASP A 102 8.046 -6.315 12.941 1.00 0.00 C ATOM 1634 C ASP A 102 8.896 -5.145 13.429 1.00 0.00 C ATOM 1635 O ASP A 102 9.042 -4.929 14.633 1.00 0.00 O ATOM 1636 CB ASP A 102 8.779 -7.636 13.185 1.00 0.00 C ATOM 1637 CG ASP A 102 9.108 -7.855 14.649 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.257 -8.417 15.371 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.216 -7.465 15.073 1.00 0.00 O ATOM 0 H ASP A 102 8.146 -6.885 10.926 1.00 0.00 H new ATOM 0 HA ASP A 102 7.111 -6.318 13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.163 -8.461 12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.700 -7.650 12.603 1.00 0.00 H new ATOM 1644 N GLU A 103 9.450 -4.393 12.485 1.00 0.00 N ATOM 1645 CA GLU A 103 10.291 -3.246 12.808 1.00 0.00 C ATOM 1646 C GLU A 103 9.505 -1.944 12.688 1.00 0.00 C ATOM 1647 O GLU A 103 9.369 -1.199 13.659 1.00 0.00 O ATOM 1648 CB GLU A 103 11.510 -3.213 11.881 1.00 0.00 C ATOM 1649 CG GLU A 103 12.624 -2.287 12.350 1.00 0.00 C ATOM 1650 CD GLU A 103 12.273 -0.819 12.202 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.367 -0.297 11.072 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.906 -0.192 13.218 1.00 0.00 O ATOM 0 H GLU A 103 9.331 -4.558 11.485 1.00 0.00 H new ATOM 0 HA GLU A 103 10.628 -3.347 13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.908 -4.223 11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.189 -2.902 10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.849 -2.498 13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.529 -2.498 11.780 1.00 0.00 H new ATOM 1659 N VAL A 104 8.990 -1.674 11.491 1.00 0.00 N ATOM 1660 CA VAL A 104 8.221 -0.461 11.247 1.00 0.00 C ATOM 1661 C VAL A 104 6.869 -0.516 11.949 1.00 0.00 C ATOM 1662 O VAL A 104 6.577 -1.460 12.684 1.00 0.00 O ATOM 1663 CB VAL A 104 7.996 -0.226 9.740 1.00 0.00 C ATOM 1664 CG1 VAL A 104 9.318 -0.271 8.990 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.018 -1.247 9.171 1.00 0.00 C ATOM 0 H VAL A 104 9.092 -2.280 10.677 1.00 0.00 H new ATOM 0 HA VAL A 104 8.804 0.367 11.651 1.00 0.00 H new ATOM 0 HB VAL A 104 7.561 0.765 9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.140 -0.103 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.981 0.505 9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.783 -1.247 9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.876 -1.060 8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.417 -2.251 9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.061 -1.160 9.686 1.00 0.00 H new ATOM 1675 N ALA A 105 6.047 0.502 11.717 1.00 0.00 N ATOM 1676 CA ALA A 105 4.725 0.569 12.323 1.00 0.00 C ATOM 1677 C ALA A 105 3.738 -0.317 11.572 1.00 0.00 C ATOM 1678 O ALA A 105 3.339 -0.007 10.448 1.00 0.00 O ATOM 1679 CB ALA A 105 4.233 2.007 12.356 1.00 0.00 C ATOM 0 H ALA A 105 6.275 1.292 11.113 1.00 0.00 H new ATOM 0 HA ALA A 105 4.798 0.201 13.347 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.243 2.043 12.812 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.924 2.615 12.941 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.179 2.396 11.339 1.00 0.00 H new ATOM 1685 N GLY A 106 3.348 -1.423 12.200 1.00 0.00 N ATOM 1686 CA GLY A 106 2.415 -2.342 11.575 1.00 0.00 C ATOM 1687 C GLY A 106 1.058 -1.716 11.324 1.00 0.00 C ATOM 1688 O GLY A 106 0.433 -1.973 10.295 1.00 0.00 O ATOM 0 H GLY A 106 3.662 -1.698 13.131 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.831 -2.689 10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.294 -3.219 12.211 1.00 0.00 H new ATOM 1692 N ASP A 107 0.603 -0.891 12.263 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.692 -0.229 12.141 1.00 0.00 C ATOM 1694 C ASP A 107 -0.777 0.589 10.855 1.00 0.00 C ATOM 1695 O ASP A 107 -1.839 0.677 10.237 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.943 0.673 13.351 1.00 0.00 C ATOM 1697 CG ASP A 107 0.083 1.783 13.471 1.00 0.00 C ATOM 1698 OD1 ASP A 107 1.126 1.561 14.121 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -0.158 2.876 12.916 1.00 0.00 O ATOM 0 H ASP A 107 1.112 -0.665 13.117 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.460 -1.002 12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.939 1.110 13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.929 0.070 14.259 1.00 0.00 H new ATOM 1704 N ILE A 108 0.343 1.185 10.456 1.00 0.00 N ATOM 1705 CA ILE A 108 0.384 1.999 9.244 1.00 0.00 C ATOM 1706 C ILE A 108 0.361 1.134 7.986 1.00 0.00 C ATOM 1707 O ILE A 108 -0.423 1.380 7.069 1.00 0.00 O ATOM 1708 CB ILE A 108 1.635 2.901 9.213 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.677 3.794 10.457 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.650 3.745 7.946 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.919 4.656 10.549 1.00 0.00 C ATOM 0 H ILE A 108 1.232 1.120 10.952 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.508 2.625 9.260 1.00 0.00 H new ATOM 0 HB ILE A 108 2.522 2.268 9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.798 4.438 10.460 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.615 3.166 11.346 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.539 4.376 7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.662 3.092 7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.759 4.373 7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.877 5.260 11.455 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.803 4.019 10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.973 5.311 9.679 1.00 0.00 H new ATOM 1723 N PHE A 109 1.224 0.121 7.945 1.00 0.00 N ATOM 1724 CA PHE A 109 1.300 -0.771 6.791 1.00 0.00 C ATOM 1725 C PHE A 109 -0.007 -1.536 6.591 1.00 0.00 C ATOM 1726 O PHE A 109 -0.351 -1.895 5.464 1.00 0.00 O ATOM 1727 CB PHE A 109 2.471 -1.749 6.929 1.00 0.00 C ATOM 1728 CG PHE A 109 2.682 -2.614 5.712 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.610 -2.075 4.435 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.952 -3.966 5.846 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.802 -2.867 3.317 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.145 -4.764 4.732 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.070 -4.214 3.467 1.00 0.00 C ATOM 0 H PHE A 109 1.878 -0.102 8.695 1.00 0.00 H new ATOM 0 HA PHE A 109 1.468 -0.150 5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.383 -1.185 7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.299 -2.389 7.794 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.401 -1.023 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.013 -4.403 6.832 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.743 -2.433 2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.354 -5.817 4.852 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.221 -4.836 2.597 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.729 -1.784 7.683 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.994 -2.515 7.615 1.00 0.00 C ATOM 1745 C ASP A 110 -2.899 -1.946 6.527 1.00 0.00 C ATOM 1746 O ASP A 110 -3.697 -2.669 5.930 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.718 -2.478 8.962 1.00 0.00 C ATOM 1748 CG ASP A 110 -2.077 -3.389 9.990 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -1.763 -4.547 9.642 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -1.891 -2.947 11.143 1.00 0.00 O ATOM 0 H ASP A 110 -0.461 -1.491 8.622 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.761 -3.551 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.723 -1.456 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.758 -2.771 8.820 1.00 0.00 H new ATOM 1755 N MET A 111 -2.773 -0.649 6.275 1.00 0.00 N ATOM 1756 CA MET A 111 -3.569 0.008 5.247 1.00 0.00 C ATOM 1757 C MET A 111 -3.092 -0.414 3.862 1.00 0.00 C ATOM 1758 O MET A 111 -3.887 -0.809 3.007 1.00 0.00 O ATOM 1759 CB MET A 111 -3.467 1.528 5.389 1.00 0.00 C ATOM 1760 CG MET A 111 -4.204 2.295 4.302 1.00 0.00 C ATOM 1761 SD MET A 111 -3.805 4.053 4.301 1.00 0.00 S ATOM 1762 CE MET A 111 -2.039 4.000 4.001 1.00 0.00 C ATOM 0 H MET A 111 -2.128 -0.032 6.768 1.00 0.00 H new ATOM 0 HA MET A 111 -4.610 -0.291 5.371 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.865 1.821 6.361 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.416 1.816 5.375 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.955 1.869 3.330 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.278 2.170 4.439 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.773 4.754 3.260 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.506 4.200 4.930 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.762 3.013 3.630 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.784 -0.334 3.658 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.172 -0.699 2.387 1.00 0.00 C ATOM 1774 C LEU A 112 -1.354 -2.185 2.091 1.00 0.00 C ATOM 1775 O LEU A 112 -1.301 -2.604 0.937 1.00 0.00 O ATOM 1776 CB LEU A 112 0.313 -0.336 2.394 1.00 0.00 C ATOM 1777 CG LEU A 112 0.615 1.157 2.564 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.109 1.383 2.727 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.083 1.948 1.378 1.00 0.00 C ATOM 0 H LEU A 112 -1.120 -0.016 4.364 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.672 -0.137 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.802 -0.884 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.759 -0.677 1.460 1.00 0.00 H new ATOM 0 HG LEU A 112 0.113 1.509 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.305 2.449 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.464 0.848 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.631 1.015 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.307 3.006 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.557 1.594 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.996 1.812 1.304 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.575 -2.976 3.140 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.757 -4.418 2.989 1.00 0.00 C ATOM 1793 C LEU A 113 -2.789 -4.734 1.911 1.00 0.00 C ATOM 1794 O LEU A 113 -2.745 -5.798 1.293 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.182 -5.051 4.317 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.044 -5.324 5.306 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.590 -5.932 6.589 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.002 -6.245 4.686 1.00 0.00 C ATOM 0 H LEU A 113 -1.632 -2.643 4.102 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.800 -4.841 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.909 -4.396 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.691 -5.991 4.106 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.565 -4.375 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.769 -6.120 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.299 -5.241 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.094 -6.871 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.797 -6.426 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.468 -7.192 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.412 -5.777 3.793 1.00 0.00 H new ATOM 1810 N THR A 114 -3.719 -3.810 1.694 1.00 0.00 N ATOM 1811 CA THR A 114 -4.760 -3.987 0.685 1.00 0.00 C ATOM 1812 C THR A 114 -4.171 -4.198 -0.714 1.00 0.00 C ATOM 1813 O THR A 114 -4.910 -4.363 -1.684 1.00 0.00 O ATOM 1814 CB THR A 114 -5.711 -2.777 0.649 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.975 -1.581 0.372 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.447 -2.630 1.974 1.00 0.00 C ATOM 0 H THR A 114 -3.774 -2.928 2.204 1.00 0.00 H new ATOM 0 HA THR A 114 -5.316 -4.880 0.970 1.00 0.00 H new ATOM 0 HB THR A 114 -6.443 -2.942 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.573 -1.245 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.114 -1.769 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.030 -3.530 2.168 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.725 -2.486 2.777 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.839 -4.192 -0.814 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.167 -4.389 -2.096 1.00 0.00 C ATOM 1826 C PHE A 115 -2.432 -5.787 -2.649 1.00 0.00 C ATOM 1827 O PHE A 115 -2.530 -5.974 -3.862 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.653 -4.176 -1.955 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.224 -2.732 -1.971 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.779 -1.836 -2.873 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.745 -2.272 -1.089 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.379 -0.515 -2.895 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.146 -0.950 -1.106 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.584 -0.071 -2.011 1.00 0.00 C ATOM 0 H PHE A 115 -2.209 -4.053 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.571 -3.653 -2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.320 -4.631 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.147 -4.702 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.534 -2.176 -3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.190 -2.956 -0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.819 0.171 -3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.898 -0.604 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.897 0.962 -2.027 1.00 0.00 H new ATOM 1844 N THR A 116 -2.548 -6.767 -1.756 1.00 0.00 N ATOM 1845 CA THR A 116 -2.793 -8.145 -2.170 1.00 0.00 C ATOM 1846 C THR A 116 -3.545 -8.930 -1.099 1.00 0.00 C ATOM 1847 O THR A 116 -3.850 -10.110 -1.282 1.00 0.00 O ATOM 1848 CB THR A 116 -1.474 -8.873 -2.491 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.741 -10.221 -2.897 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.549 -8.876 -1.283 1.00 0.00 C ATOM 0 H THR A 116 -2.477 -6.633 -0.747 1.00 0.00 H new ATOM 0 HA THR A 116 -3.408 -8.095 -3.069 1.00 0.00 H new ATOM 0 HB THR A 116 -0.982 -8.341 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.597 -10.513 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.376 -9.396 -1.534 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.322 -7.849 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.037 -9.385 -0.452 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.842 -8.275 0.020 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.559 -8.926 1.109 1.00 0.00 C ATOM 1860 C ASP A 117 -6.061 -8.690 0.983 1.00 0.00 C ATOM 1861 O ASP A 117 -6.586 -7.688 1.467 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.059 -8.418 2.463 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.530 -9.283 3.616 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.074 -10.441 3.712 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.358 -8.805 4.419 1.00 0.00 O ATOM 0 H ASP A 117 -3.599 -7.300 0.195 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.369 -9.997 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.969 -8.388 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.405 -7.396 2.615 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.743 -9.621 0.319 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.185 -9.522 0.118 1.00 0.00 C ATOM 1872 C PHE A 118 -8.914 -9.385 1.449 1.00 0.00 C ATOM 1873 O PHE A 118 -9.982 -8.775 1.523 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.700 -10.750 -0.639 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.166 -10.691 -0.964 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.604 -10.114 -2.144 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.105 -11.216 -0.090 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.952 -10.059 -2.447 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.454 -11.165 -0.387 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.878 -10.585 -1.567 1.00 0.00 C ATOM 0 H PHE A 118 -6.318 -10.454 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.384 -8.629 -0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.136 -10.857 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.505 -11.641 -0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.884 -9.702 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.779 -11.670 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.281 -9.605 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.176 -11.578 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.931 -10.543 -1.801 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.333 -9.955 2.500 1.00 0.00 N ATOM 1891 CA LEU A 119 -8.932 -9.897 3.828 1.00 0.00 C ATOM 1892 C LEU A 119 -8.954 -8.465 4.353 1.00 0.00 C ATOM 1893 O LEU A 119 -9.945 -8.024 4.933 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.165 -10.796 4.801 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.786 -10.915 6.194 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.129 -11.624 6.121 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -7.843 -11.645 7.139 1.00 0.00 C ATOM 0 H LEU A 119 -7.449 -10.462 2.458 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.959 -10.254 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.087 -11.793 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.150 -10.413 4.903 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.951 -9.911 6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.555 -11.699 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.805 -11.058 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.991 -12.624 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.302 -11.720 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.645 -12.645 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.906 -11.093 7.216 1.00 0.00 H new ATOM 1909 N ALA A 120 -7.857 -7.744 4.145 1.00 0.00 N ATOM 1910 CA ALA A 120 -7.751 -6.362 4.598 1.00 0.00 C ATOM 1911 C ALA A 120 -8.594 -5.439 3.728 1.00 0.00 C ATOM 1912 O ALA A 120 -9.053 -4.390 4.179 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.297 -5.915 4.588 1.00 0.00 C ATOM 0 H ALA A 120 -7.028 -8.095 3.665 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.130 -6.307 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.232 -4.882 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.715 -6.553 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -5.900 -5.989 3.575 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.791 -5.840 2.478 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.576 -5.059 1.533 1.00 0.00 C ATOM 1921 C PHE A 121 -11.045 -5.038 1.947 1.00 0.00 C ATOM 1922 O PHE A 121 -11.646 -3.974 2.110 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.427 -5.656 0.130 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.676 -4.684 -0.989 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.994 -3.478 -1.047 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.583 -4.983 -1.993 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.213 -2.590 -2.084 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.808 -4.100 -3.030 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.121 -2.901 -3.076 1.00 0.00 C ATOM 0 H PHE A 121 -8.415 -6.707 2.095 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.209 -4.033 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.420 -6.061 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.119 -6.492 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.283 -3.229 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.121 -5.919 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.674 -1.654 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.520 -4.345 -3.804 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.295 -2.209 -3.887 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.609 -6.226 2.133 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.004 -6.364 2.530 1.00 0.00 C ATOM 1941 C LYS A 122 -13.221 -5.860 3.956 1.00 0.00 C ATOM 1942 O LYS A 122 -14.256 -5.271 4.263 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.436 -7.828 2.420 1.00 0.00 C ATOM 1944 CG LYS A 122 -14.880 -8.077 2.823 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.240 -9.549 2.707 1.00 0.00 C ATOM 1946 CE LYS A 122 -16.682 -9.805 3.110 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.636 -9.020 2.279 1.00 0.00 N ATOM 0 H LYS A 122 -11.118 -7.112 2.014 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.612 -5.757 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.293 -8.162 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.784 -8.437 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.037 -7.742 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.543 -7.487 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.083 -9.883 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.575 -10.138 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -16.904 -10.868 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -16.817 -9.547 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.070 -8.274 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.127 -8.587 1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.378 -9.650 1.914 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.237 -6.092 4.820 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.327 -5.664 6.212 1.00 0.00 C ATOM 1963 C GLU A 123 -12.272 -4.145 6.323 1.00 0.00 C ATOM 1964 O GLU A 123 -12.877 -3.556 7.220 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.198 -6.289 7.035 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.258 -5.947 8.514 1.00 0.00 C ATOM 1967 CD GLU A 123 -12.511 -6.475 9.184 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -13.528 -5.750 9.200 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -12.476 -7.615 9.697 1.00 0.00 O ATOM 0 H GLU A 123 -11.370 -6.573 4.581 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.285 -6.002 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.234 -7.372 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.241 -5.957 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -10.382 -6.359 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.214 -4.865 8.635 1.00 0.00 H new ATOM 1976 N MET A 124 -11.545 -3.514 5.406 1.00 0.00 N ATOM 1977 CA MET A 124 -11.411 -2.062 5.406 1.00 0.00 C ATOM 1978 C MET A 124 -12.733 -1.390 5.052 1.00 0.00 C ATOM 1979 O MET A 124 -13.159 -0.449 5.723 1.00 0.00 O ATOM 1980 CB MET A 124 -10.322 -1.628 4.421 1.00 0.00 C ATOM 1981 CG MET A 124 -10.057 -0.130 4.426 1.00 0.00 C ATOM 1982 SD MET A 124 -8.754 0.351 3.275 1.00 0.00 S ATOM 1983 CE MET A 124 -9.472 -0.164 1.718 1.00 0.00 C ATOM 0 H MET A 124 -11.041 -3.985 4.655 1.00 0.00 H new ATOM 0 HA MET A 124 -11.127 -1.750 6.411 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.397 -2.153 4.661 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.611 -1.934 3.415 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.975 0.398 4.170 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.780 0.182 5.433 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.970 0.350 0.898 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.351 -1.241 1.600 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.533 0.085 1.707 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.382 -1.876 3.997 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.656 -1.309 3.564 1.00 0.00 C ATOM 1995 C PHE A 125 -15.774 -1.644 4.544 1.00 0.00 C ATOM 1996 O PHE A 125 -16.583 -0.784 4.891 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.016 -1.807 2.165 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.033 -1.383 1.111 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.708 -0.045 0.946 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.427 -2.322 0.291 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.797 0.348 -0.017 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.517 -1.935 -0.673 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.201 -0.599 -0.827 1.00 0.00 C ATOM 0 H PHE A 125 -13.050 -2.656 3.430 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.544 -0.225 3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.076 -2.895 2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.006 -1.436 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.172 0.699 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.669 -3.368 0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.552 1.393 -0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.053 -2.676 -1.306 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.489 -0.295 -1.580 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.820 -2.897 4.986 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.841 -3.336 5.931 1.00 0.00 C ATOM 2015 C LEU A 126 -16.756 -2.543 7.231 1.00 0.00 C ATOM 2016 O LEU A 126 -17.768 -2.314 7.895 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.693 -4.831 6.225 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.595 -5.752 5.398 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.310 -5.598 3.911 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.408 -7.199 5.832 1.00 0.00 C ATOM 0 H LEU A 126 -15.163 -3.625 4.705 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.816 -3.158 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.655 -5.117 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -16.901 -4.999 7.282 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.632 -5.466 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.963 -6.262 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.493 -4.566 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.270 -5.855 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.055 -7.844 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.368 -7.492 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -17.667 -7.299 6.886 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.546 -2.126 7.588 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.333 -1.353 8.805 1.00 0.00 C ATOM 2034 C ASP A 127 -15.865 0.068 8.640 1.00 0.00 C ATOM 2035 O ASP A 127 -16.518 0.606 9.533 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.846 -1.315 9.161 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.573 -0.528 10.429 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.352 0.697 10.332 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.582 -1.138 11.519 1.00 0.00 O ATOM 0 H ASP A 127 -14.698 -2.311 7.052 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.878 -1.838 9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.479 -2.334 9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.289 -0.872 8.335 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.579 0.666 7.487 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.026 2.024 7.197 1.00 0.00 C ATOM 2046 C TYR A 128 -17.546 2.084 7.087 1.00 0.00 C ATOM 2047 O TYR A 128 -18.165 3.083 7.454 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.387 2.524 5.899 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.842 3.909 5.493 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.368 5.037 6.150 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.747 4.087 4.453 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.784 6.304 5.784 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -17.168 5.351 4.082 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.682 6.454 4.749 1.00 0.00 C ATOM 2055 OH TYR A 128 -17.099 7.713 4.383 1.00 0.00 O ATOM 0 H TYR A 128 -15.040 0.231 6.738 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.715 2.668 8.019 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.303 2.526 6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.620 1.824 5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.663 4.923 6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.127 3.224 3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -15.407 7.171 6.306 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.874 5.473 3.274 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.730 7.644 3.637 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.138 1.009 6.578 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.586 0.937 6.418 1.00 0.00 C ATOM 2067 C ARG A 129 -20.277 0.853 7.774 1.00 0.00 C ATOM 2068 O ARG A 129 -21.253 1.559 8.029 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.964 -0.273 5.561 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.461 -0.428 5.346 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.783 -1.682 4.549 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.222 -1.915 4.452 1.00 0.00 N ATOM 2073 CZ ARG A 129 -23.759 -2.968 3.842 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -22.981 -3.876 3.268 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.076 -3.112 3.804 1.00 0.00 N ATOM 0 H ARG A 129 -17.638 0.176 6.269 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.920 1.846 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.474 -0.187 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.579 -1.176 6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.966 -0.470 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.847 0.446 4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.362 -1.593 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.307 -2.543 5.019 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.850 -1.232 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -21.967 -3.768 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.397 -4.682 2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.678 -2.415 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.487 -3.920 3.336 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.765 -0.017 8.640 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.332 -0.197 9.971 1.00 0.00 C ATOM 2091 C ALA A 130 -20.221 1.087 10.789 1.00 0.00 C ATOM 2092 O ALA A 130 -21.044 1.346 11.667 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.641 -1.347 10.687 1.00 0.00 C ATOM 0 H ALA A 130 -18.958 -0.608 8.443 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.390 -0.438 9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.074 -1.470 11.680 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.776 -2.265 10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.577 -1.131 10.780 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.198 1.885 10.494 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.982 3.145 11.200 1.00 0.00 C ATOM 2101 C GLU A 131 -20.171 4.081 11.006 1.00 0.00 C ATOM 2102 O GLU A 131 -20.509 4.863 11.893 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.701 3.822 10.703 1.00 0.00 C ATOM 2104 CG GLU A 131 -17.337 5.081 11.475 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.129 5.791 10.896 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.996 5.466 11.308 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.317 6.671 10.030 1.00 0.00 O ATOM 0 H GLU A 131 -18.507 1.682 9.772 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.879 2.926 12.263 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.876 3.113 10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.819 4.074 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -18.188 5.762 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.137 4.820 12.514 1.00 0.00 H new