USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=21 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 95 THR OG1 : rot 160:sc= -0.577 USER MOD Set 1.2: A 96 THR OG1 : rot 83:sc= 0.879 USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0.91 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -118:sc= 1.06 (180deg=0) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.453 K(o=0.27,f=-2.9!) USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 124 MET CE :methyl 162:sc= -0.185 (180deg=-0.621) 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= 0.24 K(o=0.24,f=-0.94) USER MOD Single : A 43 ASN : amide:sc= -0.46 K(o=-0.46,f=-1.8!) USER MOD Single : A 45 MET CE :methyl 156:sc= -0.199 (180deg=-0.846) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.0211 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 101:sc= 0.0713 USER MOD Single : A 58 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.57) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.16) USER MOD Single : A 83 GLN : amide:sc= -0.847 K(o=-0.85,f=-5!) USER MOD Single : A 89 ASN : amide:sc=-0.000114 X(o=-0.00011,f=-0.25) USER MOD Single : A 90 MET CE :methyl 161:sc= 0 (180deg=-0.333) USER MOD Single : A 94 THR OG1 : rot -80:sc= 0.466 USER MOD Single : A 98 GLN : amide:sc= -0.0928 K(o=-0.093,f=-0.75) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.234 K(o=-0.23,f=-1.4) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -107:sc= -0.652 (180deg=-3.3!) USER MOD Single : A 114 THR OG1 : rot -83:sc= 0.685 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 163:sc= -0.0877 (180deg=-0.444) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 18.953 1.109 5.664 1.00 0.00 N ATOM 243 CA ALA A 19 18.995 2.555 5.473 1.00 0.00 C ATOM 244 C ALA A 19 18.022 3.004 4.387 1.00 0.00 C ATOM 245 O ALA A 19 17.150 3.838 4.630 1.00 0.00 O ATOM 246 CB ALA A 19 20.409 2.998 5.132 1.00 0.00 C ATOM 0 HA ALA A 19 18.689 3.025 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.428 4.079 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.082 2.726 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.733 2.507 4.214 1.00 0.00 H new ATOM 252 N GLU A 20 18.177 2.450 3.188 1.00 0.00 N ATOM 253 CA GLU A 20 17.311 2.798 2.067 1.00 0.00 C ATOM 254 C GLU A 20 15.863 2.419 2.361 1.00 0.00 C ATOM 255 O GLU A 20 14.947 3.201 2.113 1.00 0.00 O ATOM 256 CB GLU A 20 17.783 2.100 0.790 1.00 0.00 C ATOM 257 CG GLU A 20 16.951 2.441 -0.436 1.00 0.00 C ATOM 258 CD GLU A 20 17.020 3.912 -0.798 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.210 4.694 -0.260 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.886 4.280 -1.619 1.00 0.00 O ATOM 0 H GLU A 20 18.894 1.759 2.968 1.00 0.00 H new ATOM 0 HA GLU A 20 17.365 3.877 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.821 2.372 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.759 1.021 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.296 1.846 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.913 2.164 -0.254 1.00 0.00 H new ATOM 267 N PHE A 21 15.666 1.215 2.895 1.00 0.00 N ATOM 268 CA PHE A 21 14.328 0.732 3.219 1.00 0.00 C ATOM 269 C PHE A 21 13.615 1.699 4.159 1.00 0.00 C ATOM 270 O PHE A 21 12.458 2.056 3.935 1.00 0.00 O ATOM 271 CB PHE A 21 14.403 -0.656 3.860 1.00 0.00 C ATOM 272 CG PHE A 21 13.119 -1.434 3.769 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.011 -1.065 4.515 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.023 -2.538 2.936 1.00 0.00 C ATOM 275 CE1 PHE A 21 10.831 -1.780 4.432 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.846 -3.258 2.850 1.00 0.00 C ATOM 277 CZ PHE A 21 10.750 -2.878 3.598 1.00 0.00 C ATOM 0 H PHE A 21 16.416 0.558 3.112 1.00 0.00 H new ATOM 0 HA PHE A 21 13.759 0.666 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.198 -1.226 3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.678 -0.548 4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.070 -0.208 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.877 -2.839 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.974 -1.481 5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.784 -4.117 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.830 -3.439 3.531 1.00 0.00 H new ATOM 287 N ASP A 22 14.313 2.118 5.211 1.00 0.00 N ATOM 288 CA ASP A 22 13.747 3.047 6.183 1.00 0.00 C ATOM 289 C ASP A 22 13.325 4.344 5.503 1.00 0.00 C ATOM 290 O ASP A 22 12.278 4.913 5.820 1.00 0.00 O ATOM 291 CB ASP A 22 14.758 3.341 7.293 1.00 0.00 C ATOM 292 CG ASP A 22 14.215 4.302 8.332 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.541 3.837 9.276 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.462 5.519 8.203 1.00 0.00 O ATOM 0 H ASP A 22 15.270 1.829 5.412 1.00 0.00 H new ATOM 0 HA ASP A 22 12.865 2.583 6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.041 2.407 7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.664 3.759 6.854 1.00 0.00 H new ATOM 299 N ALA A 23 14.145 4.806 4.564 1.00 0.00 N ATOM 300 CA ALA A 23 13.852 6.030 3.831 1.00 0.00 C ATOM 301 C ALA A 23 12.516 5.917 3.108 1.00 0.00 C ATOM 302 O ALA A 23 11.705 6.843 3.133 1.00 0.00 O ATOM 303 CB ALA A 23 14.966 6.336 2.842 1.00 0.00 C ATOM 0 H ALA A 23 15.017 4.351 4.294 1.00 0.00 H new ATOM 0 HA ALA A 23 13.787 6.850 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.732 7.254 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.906 6.461 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.060 5.513 2.134 1.00 0.00 H new ATOM 309 N VAL A 24 12.294 4.772 2.467 1.00 0.00 N ATOM 310 CA VAL A 24 11.054 4.531 1.738 1.00 0.00 C ATOM 311 C VAL A 24 9.848 4.655 2.663 1.00 0.00 C ATOM 312 O VAL A 24 8.835 5.253 2.298 1.00 0.00 O ATOM 313 CB VAL A 24 11.043 3.136 1.084 1.00 0.00 C ATOM 314 CG1 VAL A 24 9.807 2.963 0.215 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.309 2.913 0.270 1.00 0.00 C ATOM 0 H VAL A 24 12.957 3.997 2.438 1.00 0.00 H new ATOM 0 HA VAL A 24 10.994 5.287 0.955 1.00 0.00 H new ATOM 0 HB VAL A 24 11.012 2.387 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.817 1.972 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.913 3.073 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.804 3.720 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.280 1.922 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.376 3.668 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.179 2.989 0.922 1.00 0.00 H new ATOM 325 N VAL A 25 9.965 4.086 3.861 1.00 0.00 N ATOM 326 CA VAL A 25 8.887 4.134 4.842 1.00 0.00 C ATOM 327 C VAL A 25 8.478 5.574 5.130 1.00 0.00 C ATOM 328 O VAL A 25 7.290 5.886 5.222 1.00 0.00 O ATOM 329 CB VAL A 25 9.292 3.453 6.163 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.131 3.459 7.148 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.772 2.032 5.907 1.00 0.00 C ATOM 0 H VAL A 25 10.797 3.586 4.174 1.00 0.00 H new ATOM 0 HA VAL A 25 8.043 3.594 4.412 1.00 0.00 H new ATOM 0 HB VAL A 25 10.114 4.018 6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.437 2.973 8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.837 4.487 7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.286 2.920 6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.054 1.567 6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.971 1.455 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.635 2.054 5.242 1.00 0.00 H new ATOM 341 N GLY A 26 9.471 6.447 5.274 1.00 0.00 N ATOM 342 CA GLY A 26 9.196 7.845 5.548 1.00 0.00 C ATOM 343 C GLY A 26 8.390 8.504 4.444 1.00 0.00 C ATOM 344 O GLY A 26 7.352 9.113 4.703 1.00 0.00 O ATOM 0 H GLY A 26 10.461 6.210 5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.653 7.928 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.137 8.379 5.675 1.00 0.00 H new ATOM 348 N TYR A 27 8.869 8.379 3.208 1.00 0.00 N ATOM 349 CA TYR A 27 8.186 8.967 2.061 1.00 0.00 C ATOM 350 C TYR A 27 6.752 8.457 1.962 1.00 0.00 C ATOM 351 O TYR A 27 5.854 9.178 1.529 1.00 0.00 O ATOM 352 CB TYR A 27 8.943 8.650 0.767 1.00 0.00 C ATOM 353 CG TYR A 27 10.403 9.053 0.796 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.786 10.323 1.214 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.397 8.163 0.410 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.116 10.693 1.246 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.731 8.526 0.440 1.00 0.00 C ATOM 358 CZ TYR A 27 13.084 9.791 0.859 1.00 0.00 C ATOM 359 OH TYR A 27 14.410 10.155 0.892 1.00 0.00 O ATOM 0 H TYR A 27 9.726 7.876 2.977 1.00 0.00 H new ATOM 0 HA TYR A 27 8.161 10.048 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.875 7.580 0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.452 9.158 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.030 11.032 1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.124 7.171 0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.396 11.684 1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.492 7.822 0.137 1.00 0.00 H new ATOM 0 HH TYR A 27 14.963 9.405 0.589 1.00 0.00 H new ATOM 369 N LEU A 28 6.544 7.208 2.372 1.00 0.00 N ATOM 370 CA LEU A 28 5.219 6.601 2.333 1.00 0.00 C ATOM 371 C LEU A 28 4.264 7.319 3.282 1.00 0.00 C ATOM 372 O LEU A 28 3.145 7.666 2.903 1.00 0.00 O ATOM 373 CB LEU A 28 5.301 5.116 2.700 1.00 0.00 C ATOM 374 CG LEU A 28 5.938 4.216 1.638 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.102 2.800 2.168 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.100 4.215 0.368 1.00 0.00 C ATOM 0 H LEU A 28 7.277 6.598 2.735 1.00 0.00 H new ATOM 0 HA LEU A 28 4.834 6.695 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.869 5.018 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.294 4.753 2.905 1.00 0.00 H new ATOM 0 HG LEU A 28 6.925 4.611 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.556 2.174 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.742 2.814 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.125 2.396 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.568 3.570 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.100 3.844 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.031 5.230 -0.023 1.00 0.00 H new ATOM 388 N GLU A 29 4.714 7.540 4.514 1.00 0.00 N ATOM 389 CA GLU A 29 3.899 8.215 5.519 1.00 0.00 C ATOM 390 C GLU A 29 3.436 9.581 5.022 1.00 0.00 C ATOM 391 O GLU A 29 2.288 9.972 5.234 1.00 0.00 O ATOM 392 CB GLU A 29 4.685 8.377 6.821 1.00 0.00 C ATOM 393 CG GLU A 29 5.124 7.058 7.435 1.00 0.00 C ATOM 394 CD GLU A 29 5.911 7.245 8.717 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.137 7.469 8.633 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.301 7.168 9.804 1.00 0.00 O ATOM 0 H GLU A 29 5.639 7.261 4.840 1.00 0.00 H new ATOM 0 HA GLU A 29 3.020 7.599 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.566 8.990 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.071 8.917 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.245 6.446 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.733 6.511 6.715 1.00 0.00 H new ATOM 403 N ASP A 30 4.335 10.301 4.360 1.00 0.00 N ATOM 404 CA ASP A 30 4.017 11.624 3.833 1.00 0.00 C ATOM 405 C ASP A 30 2.872 11.552 2.824 1.00 0.00 C ATOM 406 O ASP A 30 2.074 12.481 2.712 1.00 0.00 O ATOM 407 CB ASP A 30 5.251 12.252 3.181 1.00 0.00 C ATOM 408 CG ASP A 30 6.319 12.612 4.195 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.219 13.700 4.801 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.254 11.807 4.385 1.00 0.00 O ATOM 0 H ASP A 30 5.289 9.991 4.175 1.00 0.00 H new ATOM 0 HA ASP A 30 3.701 12.250 4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.666 11.557 2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.954 13.148 2.636 1.00 0.00 H new ATOM 415 N ILE A 31 2.800 10.442 2.096 1.00 0.00 N ATOM 416 CA ILE A 31 1.755 10.247 1.096 1.00 0.00 C ATOM 417 C ILE A 31 0.433 9.846 1.746 1.00 0.00 C ATOM 418 O ILE A 31 -0.640 10.229 1.278 1.00 0.00 O ATOM 419 CB ILE A 31 2.159 9.171 0.066 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.472 9.561 -0.619 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.052 8.976 -0.963 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.050 8.468 -1.493 1.00 0.00 C ATOM 0 H ILE A 31 3.453 9.663 2.180 1.00 0.00 H new ATOM 0 HA ILE A 31 1.626 11.201 0.584 1.00 0.00 H new ATOM 0 HB ILE A 31 2.309 8.226 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.304 10.450 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.203 9.830 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.353 8.214 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.139 8.659 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.871 9.916 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.979 8.816 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.250 7.585 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.337 8.215 -2.278 1.00 0.00 H new ATOM 434 N ILE A 32 0.514 9.074 2.826 1.00 0.00 N ATOM 435 CA ILE A 32 -0.680 8.625 3.534 1.00 0.00 C ATOM 436 C ILE A 32 -1.438 9.804 4.139 1.00 0.00 C ATOM 437 O ILE A 32 -2.668 9.842 4.114 1.00 0.00 O ATOM 438 CB ILE A 32 -0.328 7.626 4.656 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.449 6.438 4.085 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.592 7.149 5.359 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.033 5.529 5.145 1.00 0.00 C ATOM 0 H ILE A 32 1.392 8.747 3.229 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.313 8.127 2.800 1.00 0.00 H new ATOM 0 HB ILE A 32 0.302 8.132 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.213 5.856 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.256 6.812 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.326 6.445 6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.110 8.003 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.245 6.657 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.569 4.710 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.721 6.096 5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.230 5.126 5.761 1.00 0.00 H new ATOM 453 N MET A 33 -0.695 10.766 4.680 1.00 0.00 N ATOM 454 CA MET A 33 -1.300 11.943 5.295 1.00 0.00 C ATOM 455 C MET A 33 -1.449 13.079 4.287 1.00 0.00 C ATOM 456 O MET A 33 -1.760 14.210 4.659 1.00 0.00 O ATOM 457 CB MET A 33 -0.454 12.415 6.480 1.00 0.00 C ATOM 458 CG MET A 33 -0.270 11.359 7.556 1.00 0.00 C ATOM 459 SD MET A 33 -1.837 10.744 8.201 1.00 0.00 S ATOM 460 CE MET A 33 -1.261 9.585 9.437 1.00 0.00 C ATOM 0 H MET A 33 0.325 10.753 4.705 1.00 0.00 H new ATOM 0 HA MET A 33 -2.293 11.662 5.646 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.526 12.725 6.116 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.922 13.294 6.922 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.302 10.526 7.148 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.316 11.778 8.374 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.117 9.120 9.927 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.654 8.816 8.960 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.661 10.112 10.179 1.00 0.00 H new ATOM 470 N ASP A 34 -1.231 12.773 3.012 1.00 0.00 N ATOM 471 CA ASP A 34 -1.342 13.778 1.960 1.00 0.00 C ATOM 472 C ASP A 34 -2.804 14.109 1.676 1.00 0.00 C ATOM 473 O ASP A 34 -3.627 13.212 1.486 1.00 0.00 O ATOM 474 CB ASP A 34 -0.659 13.288 0.682 1.00 0.00 C ATOM 475 CG ASP A 34 -0.546 14.378 -0.365 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.526 14.592 -1.106 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.524 15.019 -0.442 1.00 0.00 O ATOM 0 H ASP A 34 -0.978 11.841 2.683 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.844 14.684 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.336 12.916 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.221 12.450 0.271 1.00 0.00 H new ATOM 482 N ASP A 35 -3.120 15.401 1.650 1.00 0.00 N ATOM 483 CA ASP A 35 -4.485 15.852 1.394 1.00 0.00 C ATOM 484 C ASP A 35 -5.004 15.316 0.063 1.00 0.00 C ATOM 485 O ASP A 35 -6.124 14.812 -0.017 1.00 0.00 O ATOM 486 CB ASP A 35 -4.551 17.382 1.405 1.00 0.00 C ATOM 487 CG ASP A 35 -3.546 18.014 0.462 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.409 18.287 0.903 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.895 18.239 -0.715 1.00 0.00 O ATOM 0 H ASP A 35 -2.449 16.154 1.803 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.121 15.462 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.556 17.701 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.371 17.743 2.418 1.00 0.00 H new ATOM 494 N GLU A 36 -4.184 15.425 -0.978 1.00 0.00 N ATOM 495 CA GLU A 36 -4.567 14.948 -2.302 1.00 0.00 C ATOM 496 C GLU A 36 -4.822 13.444 -2.285 1.00 0.00 C ATOM 497 O GLU A 36 -5.643 12.935 -3.048 1.00 0.00 O ATOM 498 CB GLU A 36 -3.479 15.281 -3.325 1.00 0.00 C ATOM 499 CG GLU A 36 -3.845 14.892 -4.748 1.00 0.00 C ATOM 500 CD GLU A 36 -5.098 15.590 -5.239 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.986 16.730 -5.735 1.00 0.00 O ATOM 502 OE2 GLU A 36 -6.190 14.995 -5.130 1.00 0.00 O ATOM 0 H GLU A 36 -3.253 15.838 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.490 15.453 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.274 16.351 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.558 14.771 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.015 15.134 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.991 13.813 -4.800 1.00 0.00 H new ATOM 509 N PHE A 37 -4.114 12.739 -1.406 1.00 0.00 N ATOM 510 CA PHE A 37 -4.268 11.293 -1.288 1.00 0.00 C ATOM 511 C PHE A 37 -5.622 10.943 -0.684 1.00 0.00 C ATOM 512 O PHE A 37 -6.252 9.961 -1.074 1.00 0.00 O ATOM 513 CB PHE A 37 -3.145 10.706 -0.430 1.00 0.00 C ATOM 514 CG PHE A 37 -3.284 9.231 -0.181 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.999 8.317 -1.181 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.701 8.760 1.054 1.00 0.00 C ATOM 517 CE1 PHE A 37 -3.127 6.959 -0.956 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.832 7.403 1.285 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.544 6.502 0.278 1.00 0.00 C ATOM 0 H PHE A 37 -3.430 13.145 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.212 10.862 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.189 10.895 -0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.121 11.227 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.673 8.669 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.926 9.461 1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.901 6.257 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.159 7.048 2.251 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.645 5.442 0.456 1.00 0.00 H new ATOM 529 N GLN A 38 -6.064 11.756 0.269 1.00 0.00 N ATOM 530 CA GLN A 38 -7.342 11.537 0.932 1.00 0.00 C ATOM 531 C GLN A 38 -8.505 11.790 -0.023 1.00 0.00 C ATOM 532 O GLN A 38 -9.531 11.116 0.042 1.00 0.00 O ATOM 533 CB GLN A 38 -7.460 12.450 2.152 1.00 0.00 C ATOM 534 CG GLN A 38 -6.370 12.224 3.188 1.00 0.00 C ATOM 535 CD GLN A 38 -6.521 10.904 3.919 1.00 0.00 C ATOM 536 OE1 GLN A 38 -7.630 10.391 4.077 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.404 10.348 4.372 1.00 0.00 N ATOM 0 H GLN A 38 -5.554 12.575 0.600 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.386 10.497 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.427 13.489 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.432 12.294 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.397 12.254 2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.388 13.039 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.507 10.808 4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.443 9.461 4.874 1.00 0.00 H new ATOM 546 N LEU A 39 -8.335 12.767 -0.910 1.00 0.00 N ATOM 547 CA LEU A 39 -9.372 13.115 -1.879 1.00 0.00 C ATOM 548 C LEU A 39 -9.549 12.003 -2.909 1.00 0.00 C ATOM 549 O LEU A 39 -10.665 11.548 -3.161 1.00 0.00 O ATOM 550 CB LEU A 39 -9.011 14.432 -2.578 1.00 0.00 C ATOM 551 CG LEU A 39 -10.160 15.131 -3.313 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.815 16.590 -3.568 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.473 14.429 -4.627 1.00 0.00 C ATOM 0 H LEU A 39 -7.489 13.332 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.315 13.238 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.609 15.119 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.213 14.235 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.046 15.083 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.641 17.073 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.642 17.095 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.914 16.649 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.292 14.945 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.590 14.442 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.762 13.397 -4.428 1.00 0.00 H new ATOM 565 N LEU A 40 -8.440 11.572 -3.500 1.00 0.00 N ATOM 566 CA LEU A 40 -8.462 10.520 -4.510 1.00 0.00 C ATOM 567 C LEU A 40 -8.921 9.187 -3.920 1.00 0.00 C ATOM 568 O LEU A 40 -9.817 8.537 -4.458 1.00 0.00 O ATOM 569 CB LEU A 40 -7.074 10.366 -5.137 1.00 0.00 C ATOM 570 CG LEU A 40 -6.890 9.139 -6.032 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.096 9.500 -7.277 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.194 8.023 -5.264 1.00 0.00 C ATOM 0 H LEU A 40 -7.510 11.937 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.177 10.809 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.858 11.259 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.335 10.325 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.874 8.788 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.975 8.615 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.628 10.269 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.115 9.876 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.070 7.157 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.216 8.368 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.797 7.745 -4.400 1.00 0.00 H new ATOM 584 N GLN A 41 -8.299 8.788 -2.817 1.00 0.00 N ATOM 585 CA GLN A 41 -8.632 7.528 -2.163 1.00 0.00 C ATOM 586 C GLN A 41 -10.113 7.468 -1.796 1.00 0.00 C ATOM 587 O GLN A 41 -10.760 6.435 -1.965 1.00 0.00 O ATOM 588 CB GLN A 41 -7.774 7.339 -0.912 1.00 0.00 C ATOM 589 CG GLN A 41 -7.870 5.946 -0.311 1.00 0.00 C ATOM 590 CD GLN A 41 -7.385 4.866 -1.260 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.515 5.106 -2.098 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.946 3.671 -1.132 1.00 0.00 N ATOM 0 H GLN A 41 -7.560 9.319 -2.356 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.424 6.721 -2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.733 7.547 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.075 8.070 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.282 5.909 0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.905 5.744 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.663 3.518 -0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.660 2.905 -1.742 1.00 0.00 H new ATOM 601 N ARG A 42 -10.643 8.578 -1.293 1.00 0.00 N ATOM 602 CA ARG A 42 -12.049 8.646 -0.902 1.00 0.00 C ATOM 603 C ARG A 42 -12.962 8.617 -2.124 1.00 0.00 C ATOM 604 O ARG A 42 -14.060 8.061 -2.078 1.00 0.00 O ATOM 605 CB ARG A 42 -12.315 9.915 -0.092 1.00 0.00 C ATOM 606 CG ARG A 42 -13.764 10.068 0.341 1.00 0.00 C ATOM 607 CD ARG A 42 -14.008 11.417 0.997 1.00 0.00 C ATOM 608 NE ARG A 42 -15.406 11.594 1.378 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.958 12.778 1.626 1.00 0.00 C ATOM 610 NH1 ARG A 42 -15.231 13.884 1.529 1.00 0.00 N ATOM 611 NH2 ARG A 42 -17.235 12.859 1.969 1.00 0.00 N ATOM 0 H ARG A 42 -10.122 9.443 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.266 7.773 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.679 9.911 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.029 10.782 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.417 9.959 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.023 9.271 1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.377 11.510 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.716 12.212 0.311 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.992 10.763 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.248 13.826 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.656 14.792 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.798 12.012 2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.655 13.769 2.159 1.00 0.00 H new ATOM 625 N ASN A 43 -12.500 9.219 -3.214 1.00 0.00 N ATOM 626 CA ASN A 43 -13.275 9.275 -4.447 1.00 0.00 C ATOM 627 C ASN A 43 -13.618 7.876 -4.950 1.00 0.00 C ATOM 628 O ASN A 43 -14.764 7.600 -5.307 1.00 0.00 O ATOM 629 CB ASN A 43 -12.501 10.043 -5.519 1.00 0.00 C ATOM 630 CG ASN A 43 -13.361 10.397 -6.719 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.292 9.670 -7.067 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.054 11.520 -7.355 1.00 0.00 N ATOM 0 H ASN A 43 -11.590 9.676 -3.268 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.209 9.795 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.096 10.957 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.653 9.444 -5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.598 11.811 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.274 12.092 -7.032 1.00 0.00 H new ATOM 639 N PHE A 44 -12.624 6.993 -4.974 1.00 0.00 N ATOM 640 CA PHE A 44 -12.829 5.626 -5.444 1.00 0.00 C ATOM 641 C PHE A 44 -13.497 4.757 -4.381 1.00 0.00 C ATOM 642 O PHE A 44 -14.463 4.050 -4.668 1.00 0.00 O ATOM 643 CB PHE A 44 -11.500 5.004 -5.875 1.00 0.00 C ATOM 644 CG PHE A 44 -11.175 5.247 -7.322 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.682 6.473 -7.740 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.367 4.250 -8.263 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.389 6.699 -9.073 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.075 4.469 -9.596 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.586 5.696 -10.001 1.00 0.00 C ATOM 0 H PHE A 44 -11.671 7.198 -4.674 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.497 5.672 -6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.699 5.409 -5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.532 3.930 -5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.525 7.260 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.750 3.289 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.007 7.659 -9.387 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.229 3.682 -10.320 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.358 5.870 -11.042 1.00 0.00 H new ATOM 659 N MET A 45 -12.984 4.813 -3.155 1.00 0.00 N ATOM 660 CA MET A 45 -13.537 4.023 -2.055 1.00 0.00 C ATOM 661 C MET A 45 -15.030 4.286 -1.880 1.00 0.00 C ATOM 662 O MET A 45 -15.761 3.446 -1.357 1.00 0.00 O ATOM 663 CB MET A 45 -12.800 4.331 -0.751 1.00 0.00 C ATOM 664 CG MET A 45 -11.399 3.749 -0.688 1.00 0.00 C ATOM 665 SD MET A 45 -10.591 4.056 0.893 1.00 0.00 S ATOM 666 CE MET A 45 -11.702 3.209 2.015 1.00 0.00 C ATOM 0 H MET A 45 -12.188 5.396 -2.897 1.00 0.00 H new ATOM 0 HA MET A 45 -13.401 2.970 -2.303 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.741 5.412 -0.625 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.382 3.944 0.085 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.448 2.674 -0.864 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.796 4.176 -1.489 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.164 2.935 2.922 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.532 3.867 2.271 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.087 2.309 1.536 1.00 0.00 H new ATOM 676 N ASP A 46 -15.473 5.459 -2.320 1.00 0.00 N ATOM 677 CA ASP A 46 -16.877 5.843 -2.214 1.00 0.00 C ATOM 678 C ASP A 46 -17.787 4.837 -2.916 1.00 0.00 C ATOM 679 O ASP A 46 -18.931 4.636 -2.511 1.00 0.00 O ATOM 680 CB ASP A 46 -17.087 7.237 -2.805 1.00 0.00 C ATOM 681 CG ASP A 46 -18.539 7.671 -2.767 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.957 8.258 -1.747 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.258 7.422 -3.758 1.00 0.00 O ATOM 0 H ASP A 46 -14.877 6.163 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.140 5.854 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.482 7.957 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.735 7.248 -3.836 1.00 0.00 H new ATOM 688 N LYS A 47 -17.277 4.214 -3.974 1.00 0.00 N ATOM 689 CA LYS A 47 -18.054 3.239 -4.737 1.00 0.00 C ATOM 690 C LYS A 47 -17.731 1.808 -4.314 1.00 0.00 C ATOM 691 O LYS A 47 -18.619 0.959 -4.240 1.00 0.00 O ATOM 692 CB LYS A 47 -17.783 3.406 -6.231 1.00 0.00 C ATOM 693 CG LYS A 47 -18.265 4.735 -6.791 1.00 0.00 C ATOM 694 CD LYS A 47 -19.782 4.836 -6.767 1.00 0.00 C ATOM 695 CE LYS A 47 -20.256 6.195 -7.251 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.740 6.304 -7.232 1.00 0.00 N ATOM 0 H LYS A 47 -16.331 4.366 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.109 3.423 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.712 3.312 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.269 2.595 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.836 5.552 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.908 4.850 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.210 4.055 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.143 4.663 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.827 6.975 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.892 6.367 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.023 7.246 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.149 5.577 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.086 6.166 -6.261 1.00 0.00 H new ATOM 710 N TYR A 48 -16.459 1.550 -4.048 1.00 0.00 N ATOM 711 CA TYR A 48 -16.013 0.221 -3.641 1.00 0.00 C ATOM 712 C TYR A 48 -16.791 -0.289 -2.428 1.00 0.00 C ATOM 713 O TYR A 48 -17.325 -1.397 -2.448 1.00 0.00 O ATOM 714 CB TYR A 48 -14.516 0.240 -3.324 1.00 0.00 C ATOM 715 CG TYR A 48 -13.626 0.219 -4.548 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.741 1.192 -5.535 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.667 -0.774 -4.716 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.925 1.176 -6.651 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.848 -0.796 -5.830 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.982 0.180 -6.794 1.00 0.00 C ATOM 721 OH TYR A 48 -11.169 0.163 -7.903 1.00 0.00 O ATOM 0 H TYR A 48 -15.714 2.244 -4.106 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.202 -0.458 -4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.290 1.132 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.277 -0.620 -2.699 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.480 1.973 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.560 -1.541 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.026 1.940 -7.407 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.107 -1.574 -5.944 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.235 0.070 -7.622 1.00 0.00 H new ATOM 731 N TYR A 49 -16.857 0.524 -1.378 1.00 0.00 N ATOM 732 CA TYR A 49 -17.557 0.137 -0.155 1.00 0.00 C ATOM 733 C TYR A 49 -19.046 -0.107 -0.410 1.00 0.00 C ATOM 734 O TYR A 49 -19.730 -0.717 0.413 1.00 0.00 O ATOM 735 CB TYR A 49 -17.362 1.203 0.935 1.00 0.00 C ATOM 736 CG TYR A 49 -18.515 2.175 1.089 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.663 3.257 0.230 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.452 2.010 2.103 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.711 4.147 0.379 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.500 2.895 2.257 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.627 3.961 1.393 1.00 0.00 C ATOM 742 OH TYR A 49 -21.671 4.845 1.545 1.00 0.00 O ATOM 0 H TYR A 49 -16.436 1.453 -1.348 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.125 -0.802 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.199 0.701 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.457 1.768 0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.949 3.405 -0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.358 1.175 2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.812 4.984 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.218 2.753 3.051 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.225 4.570 2.305 1.00 0.00 H new ATOM 752 N LEU A 50 -19.542 0.368 -1.549 1.00 0.00 N ATOM 753 CA LEU A 50 -20.950 0.194 -1.897 1.00 0.00 C ATOM 754 C LEU A 50 -21.213 -1.187 -2.491 1.00 0.00 C ATOM 755 O LEU A 50 -22.167 -1.865 -2.108 1.00 0.00 O ATOM 756 CB LEU A 50 -21.398 1.276 -2.884 1.00 0.00 C ATOM 757 CG LEU A 50 -21.495 2.689 -2.306 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.781 3.698 -3.407 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.574 2.754 -1.235 1.00 0.00 C ATOM 0 H LEU A 50 -18.993 0.874 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.527 0.286 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.701 1.291 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.373 0.998 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.538 2.939 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.847 4.697 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.977 3.672 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.725 3.449 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.629 3.766 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.536 2.483 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.331 2.059 -0.431 1.00 0.00 H new ATOM 771 N GLU A 51 -20.364 -1.600 -3.426 1.00 0.00 N ATOM 772 CA GLU A 51 -20.511 -2.889 -4.079 1.00 0.00 C ATOM 773 C GLU A 51 -20.157 -4.027 -3.123 1.00 0.00 C ATOM 774 O GLU A 51 -20.807 -5.073 -3.119 1.00 0.00 O ATOM 775 CB GLU A 51 -19.626 -2.924 -5.329 1.00 0.00 C ATOM 776 CG GLU A 51 -19.050 -4.288 -5.652 1.00 0.00 C ATOM 777 CD GLU A 51 -20.090 -5.260 -6.174 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.533 -5.089 -7.330 1.00 0.00 O ATOM 779 OE2 GLU A 51 -20.459 -6.194 -5.432 1.00 0.00 O ATOM 0 H GLU A 51 -19.564 -1.055 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.551 -3.026 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.210 -2.579 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.805 -2.219 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.260 -4.176 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.589 -4.704 -4.756 1.00 0.00 H new ATOM 786 N PHE A 52 -19.130 -3.814 -2.307 1.00 0.00 N ATOM 787 CA PHE A 52 -18.693 -4.829 -1.354 1.00 0.00 C ATOM 788 C PHE A 52 -19.685 -4.963 -0.200 1.00 0.00 C ATOM 789 O PHE A 52 -19.569 -4.274 0.814 1.00 0.00 O ATOM 790 CB PHE A 52 -17.301 -4.488 -0.814 1.00 0.00 C ATOM 791 CG PHE A 52 -16.184 -4.835 -1.759 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.043 -4.167 -2.967 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.273 -5.828 -1.439 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.015 -4.485 -3.834 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.243 -6.150 -2.301 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.113 -5.478 -3.501 1.00 0.00 C ATOM 0 H PHE A 52 -18.586 -2.951 -2.286 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.647 -5.784 -1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.259 -3.422 -0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.146 -5.016 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.744 -3.390 -3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.369 -6.358 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.916 -3.958 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.540 -6.926 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.309 -5.728 -4.177 1.00 0.00 H new ATOM 806 N GLU A 53 -20.665 -5.849 -0.367 1.00 0.00 N ATOM 807 CA GLU A 53 -21.676 -6.076 0.661 1.00 0.00 C ATOM 808 C GLU A 53 -21.345 -7.318 1.484 1.00 0.00 C ATOM 809 O GLU A 53 -20.650 -8.218 1.014 1.00 0.00 O ATOM 810 CB GLU A 53 -23.061 -6.231 0.025 1.00 0.00 C ATOM 811 CG GLU A 53 -23.571 -4.967 -0.648 1.00 0.00 C ATOM 812 CD GLU A 53 -23.714 -3.808 0.318 1.00 0.00 C ATOM 813 OE1 GLU A 53 -22.723 -3.074 0.515 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.817 -3.634 0.878 1.00 0.00 O ATOM 0 H GLU A 53 -20.779 -6.420 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.682 -5.210 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.025 -7.034 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.772 -6.535 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.887 -4.685 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.537 -5.171 -1.110 1.00 0.00 H new ATOM 821 N ASP A 54 -21.852 -7.361 2.713 1.00 0.00 N ATOM 822 CA ASP A 54 -21.610 -8.494 3.600 1.00 0.00 C ATOM 823 C ASP A 54 -22.574 -9.637 3.298 1.00 0.00 C ATOM 824 O ASP A 54 -23.687 -9.678 3.822 1.00 0.00 O ATOM 825 CB ASP A 54 -21.749 -8.064 5.061 1.00 0.00 C ATOM 826 CG ASP A 54 -21.427 -9.188 6.028 1.00 0.00 C ATOM 827 OD1 ASP A 54 -22.351 -9.948 6.384 1.00 0.00 O ATOM 828 OD2 ASP A 54 -20.250 -9.307 6.428 1.00 0.00 O ATOM 0 H ASP A 54 -22.432 -6.625 3.117 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.593 -8.847 3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.085 -7.221 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.766 -7.715 5.239 1.00 0.00 H new ATOM 833 N THR A 55 -22.139 -10.561 2.446 1.00 0.00 N ATOM 834 CA THR A 55 -22.960 -11.707 2.075 1.00 0.00 C ATOM 835 C THR A 55 -22.123 -12.980 1.996 1.00 0.00 C ATOM 836 O THR A 55 -20.895 -12.923 1.924 1.00 0.00 O ATOM 837 CB THR A 55 -23.662 -11.482 0.722 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.696 -11.155 -0.283 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.691 -10.365 0.824 1.00 0.00 C ATOM 0 H THR A 55 -21.222 -10.538 2.000 1.00 0.00 H new ATOM 0 HA THR A 55 -23.716 -11.820 2.853 1.00 0.00 H new ATOM 0 HB THR A 55 -24.175 -12.404 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.511 -11.947 -0.829 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.173 -10.225 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.442 -10.629 1.569 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.196 -9.440 1.120 1.00 0.00 H new ATOM 847 N GLU A 56 -22.795 -14.127 2.011 1.00 0.00 N ATOM 848 CA GLU A 56 -22.114 -15.415 1.945 1.00 0.00 C ATOM 849 C GLU A 56 -21.870 -15.834 0.500 1.00 0.00 C ATOM 850 O GLU A 56 -21.220 -16.846 0.239 1.00 0.00 O ATOM 851 CB GLU A 56 -22.938 -16.486 2.663 1.00 0.00 C ATOM 852 CG GLU A 56 -23.197 -16.173 4.127 1.00 0.00 C ATOM 853 CD GLU A 56 -23.942 -17.287 4.840 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.190 -17.296 4.786 1.00 0.00 O ATOM 855 OE2 GLU A 56 -23.276 -18.148 5.452 1.00 0.00 O ATOM 0 H GLU A 56 -23.811 -14.191 2.068 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.149 -15.310 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.893 -16.602 2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.419 -17.442 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -22.246 -15.997 4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.773 -15.251 4.201 1.00 0.00 H new ATOM 862 N GLU A 57 -22.395 -15.051 -0.437 1.00 0.00 N ATOM 863 CA GLU A 57 -22.236 -15.349 -1.856 1.00 0.00 C ATOM 864 C GLU A 57 -21.307 -14.344 -2.532 1.00 0.00 C ATOM 865 O GLU A 57 -21.537 -13.136 -2.480 1.00 0.00 O ATOM 866 CB GLU A 57 -23.598 -15.352 -2.551 1.00 0.00 C ATOM 867 CG GLU A 57 -23.532 -15.756 -4.014 1.00 0.00 C ATOM 868 CD GLU A 57 -22.986 -17.156 -4.207 1.00 0.00 C ATOM 869 OE1 GLU A 57 -23.778 -18.118 -4.128 1.00 0.00 O ATOM 870 OE2 GLU A 57 -21.766 -17.290 -4.435 1.00 0.00 O ATOM 0 H GLU A 57 -22.933 -14.207 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.786 -16.338 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.264 -16.035 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.037 -14.357 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.530 -15.696 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -22.905 -15.047 -4.555 1.00 0.00 H new ATOM 877 N ASN A 58 -20.257 -14.858 -3.166 1.00 0.00 N ATOM 878 CA ASN A 58 -19.290 -14.015 -3.859 1.00 0.00 C ATOM 879 C ASN A 58 -19.574 -13.986 -5.357 1.00 0.00 C ATOM 880 O ASN A 58 -20.273 -14.854 -5.882 1.00 0.00 O ATOM 881 CB ASN A 58 -17.868 -14.523 -3.607 1.00 0.00 C ATOM 882 CG ASN A 58 -17.668 -15.949 -4.084 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.893 -16.903 -3.338 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.244 -16.103 -5.333 1.00 0.00 N ATOM 0 H ASN A 58 -20.055 -15.857 -3.214 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.380 -13.001 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.157 -13.871 -4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.649 -14.466 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.093 -17.039 -5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.070 -15.285 -5.917 1.00 0.00 H new ATOM 891 N LYS A 59 -19.031 -12.983 -6.042 1.00 0.00 N ATOM 892 CA LYS A 59 -19.233 -12.840 -7.480 1.00 0.00 C ATOM 893 C LYS A 59 -17.909 -12.630 -8.207 1.00 0.00 C ATOM 894 O LYS A 59 -16.878 -12.373 -7.584 1.00 0.00 O ATOM 895 CB LYS A 59 -20.175 -11.671 -7.769 1.00 0.00 C ATOM 896 CG LYS A 59 -21.552 -11.831 -7.145 1.00 0.00 C ATOM 897 CD LYS A 59 -22.442 -10.633 -7.440 1.00 0.00 C ATOM 898 CE LYS A 59 -21.947 -9.381 -6.734 1.00 0.00 C ATOM 899 NZ LYS A 59 -22.804 -8.200 -7.030 1.00 0.00 N ATOM 0 H LYS A 59 -18.448 -12.258 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.681 -13.763 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.723 -10.751 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.285 -11.562 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.022 -12.737 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.452 -11.954 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.472 -10.457 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.462 -10.850 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.928 -9.555 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.922 -9.172 -7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.432 -7.367 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.803 -8.018 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.776 -8.389 -6.713 1.00 0.00 H new ATOM 913 N LEU A 60 -17.949 -12.739 -9.531 1.00 0.00 N ATOM 914 CA LEU A 60 -16.758 -12.567 -10.357 1.00 0.00 C ATOM 915 C LEU A 60 -16.450 -11.089 -10.573 1.00 0.00 C ATOM 916 O LEU A 60 -15.357 -10.734 -11.012 1.00 0.00 O ATOM 917 CB LEU A 60 -16.943 -13.259 -11.713 1.00 0.00 C ATOM 918 CG LEU A 60 -16.950 -14.793 -11.685 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.693 -15.325 -11.014 1.00 0.00 C ATOM 920 CD2 LEU A 60 -18.196 -15.315 -10.984 1.00 0.00 C ATOM 0 H LEU A 60 -18.798 -12.947 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.919 -13.024 -9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.882 -12.918 -12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.145 -12.930 -12.379 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.964 -15.151 -12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.719 -16.415 -11.005 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.815 -14.987 -11.565 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.643 -14.955 -9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.179 -16.405 -10.976 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.219 -14.945 -9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -19.083 -14.969 -11.514 1.00 0.00 H new ATOM 932 N ILE A 61 -17.419 -10.231 -10.265 1.00 0.00 N ATOM 933 CA ILE A 61 -17.253 -8.790 -10.428 1.00 0.00 C ATOM 934 C ILE A 61 -16.147 -8.258 -9.516 1.00 0.00 C ATOM 935 O ILE A 61 -15.569 -7.197 -9.768 1.00 0.00 O ATOM 936 CB ILE A 61 -18.570 -8.043 -10.128 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.444 -6.558 -10.480 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.959 -8.216 -8.667 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.261 -6.298 -11.960 1.00 0.00 C ATOM 0 H ILE A 61 -18.330 -10.510 -9.900 1.00 0.00 H new ATOM 0 HA ILE A 61 -16.973 -8.611 -11.466 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.357 -8.473 -10.748 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.336 -6.035 -10.136 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.598 -6.136 -9.938 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.890 -7.683 -8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.095 -9.275 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.171 -7.814 -8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.179 -5.225 -12.134 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.353 -6.792 -12.307 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.119 -6.690 -12.507 1.00 0.00 H new ATOM 951 N TYR A 62 -15.851 -9.009 -8.464 1.00 0.00 N ATOM 952 CA TYR A 62 -14.821 -8.621 -7.510 1.00 0.00 C ATOM 953 C TYR A 62 -13.426 -8.721 -8.123 1.00 0.00 C ATOM 954 O TYR A 62 -12.479 -8.114 -7.626 1.00 0.00 O ATOM 955 CB TYR A 62 -14.902 -9.493 -6.257 1.00 0.00 C ATOM 956 CG TYR A 62 -16.145 -9.250 -5.431 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.377 -9.755 -5.827 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.085 -8.512 -4.256 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.514 -9.531 -5.074 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.216 -8.285 -3.497 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.429 -8.795 -3.911 1.00 0.00 C ATOM 962 OH TYR A 62 -19.558 -8.569 -3.159 1.00 0.00 O ATOM 0 H TYR A 62 -16.311 -9.893 -8.249 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.998 -7.581 -7.237 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.871 -10.542 -6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.023 -9.309 -5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.447 -10.332 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.138 -8.109 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.465 -9.931 -5.395 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.151 -7.711 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.325 -8.035 -2.371 1.00 0.00 H new ATOM 972 N THR A 63 -13.301 -9.486 -9.206 1.00 0.00 N ATOM 973 CA THR A 63 -12.009 -9.654 -9.867 1.00 0.00 C ATOM 974 C THR A 63 -11.601 -8.393 -10.636 1.00 0.00 C ATOM 975 O THR A 63 -10.500 -7.883 -10.435 1.00 0.00 O ATOM 976 CB THR A 63 -12.004 -10.868 -10.819 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.388 -12.052 -10.108 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.627 -11.065 -11.435 1.00 0.00 C ATOM 0 H THR A 63 -14.071 -9.995 -9.641 1.00 0.00 H new ATOM 0 HA THR A 63 -11.280 -9.833 -9.077 1.00 0.00 H new ATOM 0 HB THR A 63 -12.720 -10.678 -11.619 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.384 -12.817 -10.720 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.647 -11.926 -12.103 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.350 -10.175 -12.000 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.896 -11.235 -10.645 1.00 0.00 H new ATOM 986 N PRO A 64 -12.469 -7.865 -11.531 1.00 0.00 N ATOM 987 CA PRO A 64 -12.156 -6.653 -12.294 1.00 0.00 C ATOM 988 C PRO A 64 -12.006 -5.435 -11.387 1.00 0.00 C ATOM 989 O PRO A 64 -11.104 -4.620 -11.573 1.00 0.00 O ATOM 990 CB PRO A 64 -13.355 -6.483 -13.231 1.00 0.00 C ATOM 991 CG PRO A 64 -14.456 -7.250 -12.588 1.00 0.00 C ATOM 992 CD PRO A 64 -13.796 -8.403 -11.888 1.00 0.00 C ATOM 0 HA PRO A 64 -11.208 -6.740 -12.825 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.621 -5.432 -13.346 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.135 -6.867 -14.227 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.006 -6.627 -11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.173 -7.601 -13.330 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.356 -8.712 -11.005 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.716 -9.275 -12.537 1.00 0.00 H new ATOM 1000 N ILE A 65 -12.900 -5.317 -10.405 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.853 -4.198 -9.468 1.00 0.00 C ATOM 1002 C ILE A 65 -11.525 -4.179 -8.715 1.00 0.00 C ATOM 1003 O ILE A 65 -10.909 -3.124 -8.548 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.014 -4.263 -8.454 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.357 -4.193 -9.183 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.898 -3.137 -7.435 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.547 -4.446 -8.285 1.00 0.00 C ATOM 0 H ILE A 65 -13.659 -5.978 -10.240 1.00 0.00 H new ATOM 0 HA ILE A 65 -12.951 -3.283 -10.053 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.957 -5.212 -7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.461 -3.210 -9.642 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.361 -4.924 -9.992 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.725 -3.199 -6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.954 -3.228 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.931 -2.176 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.465 -4.380 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.467 -5.440 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.569 -3.700 -7.491 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.090 -5.353 -8.266 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.833 -5.474 -7.536 1.00 0.00 C ATOM 1021 C PHE A 66 -8.670 -4.986 -8.390 1.00 0.00 C ATOM 1022 O PHE A 66 -7.798 -4.263 -7.911 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.599 -6.926 -7.112 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.353 -7.121 -6.294 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.311 -6.730 -4.966 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.223 -7.696 -6.856 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.165 -6.907 -4.213 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.076 -7.876 -6.107 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.046 -7.482 -4.784 1.00 0.00 C ATOM 0 H PHE A 66 -11.589 -6.233 -8.395 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.895 -4.853 -6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.459 -7.271 -6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.540 -7.551 -8.003 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.183 -6.282 -4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.240 -8.006 -7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.145 -6.596 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.203 -8.325 -6.556 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.150 -7.623 -4.197 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.667 -5.386 -9.658 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.616 -4.985 -10.586 1.00 0.00 C ATOM 1041 C ASN A 67 -7.548 -3.466 -10.693 1.00 0.00 C ATOM 1042 O ASN A 67 -6.467 -2.889 -10.798 1.00 0.00 O ATOM 1043 CB ASN A 67 -7.866 -5.597 -11.967 1.00 0.00 C ATOM 1044 CG ASN A 67 -7.981 -7.108 -11.919 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.362 -7.764 -11.081 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.779 -7.669 -12.820 1.00 0.00 N ATOM 0 H ASN A 67 -9.382 -5.988 -10.066 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.663 -5.351 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.781 -5.179 -12.386 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.053 -5.319 -12.637 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.898 -8.682 -12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.273 -7.087 -13.496 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.714 -2.828 -10.662 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.797 -1.374 -10.750 1.00 0.00 C ATOM 1055 C GLU A 68 -8.118 -0.720 -9.549 1.00 0.00 C ATOM 1056 O GLU A 68 -7.486 0.327 -9.675 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.260 -0.931 -10.832 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.438 0.573 -10.961 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.856 1.119 -12.251 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -8.647 1.432 -12.271 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -10.611 1.235 -13.240 1.00 0.00 O ATOM 0 H GLU A 68 -9.616 -3.296 -10.576 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.279 -1.056 -11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.730 -1.418 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.785 -1.275 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.500 0.815 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.961 1.066 -10.114 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.259 -1.348 -8.384 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.654 -0.837 -7.157 1.00 0.00 C ATOM 1070 C TYR A 69 -6.132 -0.931 -7.227 1.00 0.00 C ATOM 1071 O TYR A 69 -5.415 -0.082 -6.690 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.175 -1.629 -5.953 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.827 -1.020 -4.613 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.676 -0.104 -4.006 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.654 -1.367 -3.951 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.368 0.450 -2.777 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.339 -0.818 -2.722 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.199 0.090 -2.140 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.889 0.640 -0.917 1.00 0.00 O ATOM 0 H TYR A 69 -8.787 -2.212 -8.264 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.928 0.212 -7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.259 -1.715 -6.030 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.771 -2.641 -5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.592 0.180 -4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.978 -2.077 -4.405 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.039 1.161 -2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.425 -1.098 -2.220 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.033 0.281 -0.604 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.649 -1.975 -7.893 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.217 -2.201 -8.046 1.00 0.00 C ATOM 1091 C ILE A 70 -3.604 -1.235 -9.060 1.00 0.00 C ATOM 1092 O ILE A 70 -2.428 -0.883 -8.967 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.930 -3.651 -8.485 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.618 -4.641 -7.537 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.431 -3.908 -8.539 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.148 -4.544 -6.100 1.00 0.00 C ATOM 0 H ILE A 70 -6.234 -2.682 -8.338 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.760 -2.024 -7.072 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.335 -3.796 -9.487 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.694 -4.471 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.444 -5.655 -7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.249 -4.937 -8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.970 -3.226 -9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.998 -3.746 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.681 -5.276 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.078 -4.744 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.347 -3.542 -5.719 1.00 0.00 H new ATOM 1108 N SER A 71 -4.403 -0.814 -10.031 1.00 0.00 N ATOM 1109 CA SER A 71 -3.931 0.108 -11.058 1.00 0.00 C ATOM 1110 C SER A 71 -4.131 1.558 -10.630 1.00 0.00 C ATOM 1111 O SER A 71 -3.441 2.455 -11.111 1.00 0.00 O ATOM 1112 CB SER A 71 -4.657 -0.153 -12.378 1.00 0.00 C ATOM 1113 OG SER A 71 -4.218 0.737 -13.389 1.00 0.00 O ATOM 0 H SER A 71 -5.379 -1.095 -10.130 1.00 0.00 H new ATOM 0 HA SER A 71 -2.863 -0.062 -11.197 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.483 -1.181 -12.695 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.732 -0.042 -12.233 1.00 0.00 H new ATOM 0 HG SER A 71 -4.697 0.547 -14.223 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.094 1.792 -9.746 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.369 3.141 -9.267 1.00 0.00 C ATOM 1121 C LEU A 72 -4.557 3.472 -8.012 1.00 0.00 C ATOM 1122 O LEU A 72 -3.709 4.366 -8.024 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.869 3.296 -8.980 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.404 4.736 -8.944 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.875 5.487 -7.732 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.051 5.478 -10.225 1.00 0.00 C ATOM 0 H LEU A 72 -5.694 1.070 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.072 3.841 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.423 2.743 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.085 2.825 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.490 4.684 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.270 6.503 -7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.189 4.976 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.786 5.521 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.440 6.495 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.968 5.510 -10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.492 4.962 -11.078 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.817 2.735 -6.934 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.142 2.964 -5.657 1.00 0.00 C ATOM 1140 C VAL A 73 -2.695 2.478 -5.648 1.00 0.00 C ATOM 1141 O VAL A 73 -1.771 3.271 -5.463 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.901 2.287 -4.501 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.221 2.571 -3.169 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.349 2.751 -4.478 1.00 0.00 C ATOM 0 H VAL A 73 -5.493 1.971 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.134 4.045 -5.519 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.886 1.209 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.774 2.083 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.201 2.187 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.200 3.647 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.874 2.265 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.383 3.832 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.830 2.490 -5.421 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.501 1.176 -5.844 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.160 0.595 -5.824 1.00 0.00 C ATOM 1156 C GLU A 74 -0.229 1.290 -6.815 1.00 0.00 C ATOM 1157 O GLU A 74 0.953 1.494 -6.527 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.217 -0.905 -6.118 1.00 0.00 C ATOM 1159 CG GLU A 74 0.136 -1.591 -6.025 1.00 0.00 C ATOM 1160 CD GLU A 74 0.057 -3.079 -6.303 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.377 -3.829 -5.403 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.428 -3.494 -7.420 1.00 0.00 O ATOM 0 H GLU A 74 -3.250 0.506 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.756 0.745 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.905 -1.379 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.625 -1.056 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.823 -1.129 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.551 -1.433 -5.030 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.759 1.654 -7.976 1.00 0.00 N ATOM 1170 CA LYS A 75 0.043 2.322 -8.993 1.00 0.00 C ATOM 1171 C LYS A 75 0.393 3.742 -8.559 1.00 0.00 C ATOM 1172 O LYS A 75 1.498 4.221 -8.812 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.698 2.351 -10.328 1.00 0.00 C ATOM 1174 CG LYS A 75 0.186 2.730 -11.505 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.604 2.814 -12.801 1.00 0.00 C ATOM 1176 CE LYS A 75 -1.142 1.455 -13.219 1.00 0.00 C ATOM 1177 NZ LYS A 75 -1.811 1.508 -14.547 1.00 0.00 N ATOM 0 H LYS A 75 -1.733 1.499 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 75 0.968 1.758 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.135 1.370 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.523 3.060 -10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.663 3.690 -11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.983 1.994 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.433 3.511 -12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.033 3.212 -13.591 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.324 0.735 -13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.849 1.098 -12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.813 1.250 -14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.740 2.471 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.348 0.840 -15.196 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.554 4.414 -7.907 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.333 5.777 -7.437 1.00 0.00 C ATOM 1193 C TYR A 76 0.870 5.835 -6.503 1.00 0.00 C ATOM 1194 O TYR A 76 1.713 6.726 -6.615 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.578 6.305 -6.719 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.483 7.763 -6.323 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.834 8.768 -7.216 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.046 8.134 -5.056 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.752 10.100 -6.859 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.963 9.465 -4.693 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.317 10.443 -5.598 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.238 11.770 -5.238 1.00 0.00 O ATOM 0 H TYR A 76 -1.478 4.037 -7.694 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.133 6.407 -8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.444 6.170 -7.367 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.752 5.706 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.177 8.503 -8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.767 7.370 -4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.028 10.869 -7.566 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.622 9.738 -3.705 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.914 11.840 -4.316 1.00 0.00 H new ATOM 1212 N ILE A 77 0.948 4.879 -5.583 1.00 0.00 N ATOM 1213 CA ILE A 77 2.052 4.819 -4.633 1.00 0.00 C ATOM 1214 C ILE A 77 3.373 4.571 -5.352 1.00 0.00 C ATOM 1215 O ILE A 77 4.395 5.174 -5.022 1.00 0.00 O ATOM 1216 CB ILE A 77 1.841 3.706 -3.585 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.484 3.869 -2.894 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.966 3.726 -2.562 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.109 2.694 -2.014 1.00 0.00 C ATOM 0 H ILE A 77 0.259 4.135 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 77 2.083 5.783 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 77 1.852 2.743 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.500 4.775 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.287 4.005 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.805 2.936 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.919 3.565 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.982 4.692 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.863 2.878 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.061 1.788 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.860 2.570 -1.233 1.00 0.00 H new ATOM 1231 N GLU A 78 3.342 3.680 -6.337 1.00 0.00 N ATOM 1232 CA GLU A 78 4.535 3.337 -7.104 1.00 0.00 C ATOM 1233 C GLU A 78 5.124 4.560 -7.808 1.00 0.00 C ATOM 1234 O GLU A 78 6.317 4.831 -7.699 1.00 0.00 O ATOM 1235 CB GLU A 78 4.201 2.242 -8.123 1.00 0.00 C ATOM 1236 CG GLU A 78 5.359 1.868 -9.035 1.00 0.00 C ATOM 1237 CD GLU A 78 5.352 2.648 -10.336 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.608 2.253 -11.259 1.00 0.00 O ATOM 1239 OE2 GLU A 78 6.089 3.650 -10.433 1.00 0.00 O ATOM 0 H GLU A 78 2.500 3.180 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 78 5.288 2.966 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.872 1.351 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.363 2.574 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.300 2.046 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.314 0.801 -9.255 1.00 0.00 H new ATOM 1246 N GLU A 79 4.283 5.299 -8.527 1.00 0.00 N ATOM 1247 CA GLU A 79 4.737 6.484 -9.251 1.00 0.00 C ATOM 1248 C GLU A 79 5.312 7.537 -8.304 1.00 0.00 C ATOM 1249 O GLU A 79 6.409 8.049 -8.526 1.00 0.00 O ATOM 1250 CB GLU A 79 3.586 7.087 -10.060 1.00 0.00 C ATOM 1251 CG GLU A 79 3.051 6.161 -11.140 1.00 0.00 C ATOM 1252 CD GLU A 79 2.000 6.824 -12.010 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.812 6.805 -11.625 1.00 0.00 O ATOM 1254 OE2 GLU A 79 2.365 7.363 -13.077 1.00 0.00 O ATOM 0 H GLU A 79 3.287 5.100 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 79 5.531 6.170 -9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.774 7.348 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.925 8.014 -10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.877 5.825 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.624 5.274 -10.673 1.00 0.00 H new ATOM 1261 N GLN A 80 4.567 7.848 -7.249 1.00 0.00 N ATOM 1262 CA GLN A 80 4.992 8.851 -6.274 1.00 0.00 C ATOM 1263 C GLN A 80 6.333 8.497 -5.633 1.00 0.00 C ATOM 1264 O GLN A 80 7.086 9.386 -5.232 1.00 0.00 O ATOM 1265 CB GLN A 80 3.927 9.011 -5.188 1.00 0.00 C ATOM 1266 CG GLN A 80 2.609 9.564 -5.705 1.00 0.00 C ATOM 1267 CD GLN A 80 2.762 10.927 -6.354 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.675 11.958 -5.687 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.988 10.938 -7.662 1.00 0.00 N ATOM 0 H GLN A 80 3.664 7.420 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 80 5.119 9.792 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.747 8.042 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.309 9.673 -4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.186 8.867 -6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.901 9.636 -4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.053 10.059 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.097 11.825 -8.153 1.00 0.00 H new ATOM 1278 N LEU A 81 6.630 7.206 -5.535 1.00 0.00 N ATOM 1279 CA LEU A 81 7.882 6.759 -4.931 1.00 0.00 C ATOM 1280 C LEU A 81 9.041 6.906 -5.906 1.00 0.00 C ATOM 1281 O LEU A 81 10.151 7.283 -5.525 1.00 0.00 O ATOM 1282 CB LEU A 81 7.763 5.303 -4.479 1.00 0.00 C ATOM 1283 CG LEU A 81 6.897 5.075 -3.239 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.680 3.588 -3.009 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.539 5.716 -2.018 1.00 0.00 C ATOM 0 H LEU A 81 6.025 6.453 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 81 8.081 7.388 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.354 4.716 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.763 4.918 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 81 5.926 5.543 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.062 3.443 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.180 3.155 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.643 3.098 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.910 5.545 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.522 5.275 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.646 6.788 -2.184 1.00 0.00 H new ATOM 1297 N LEU A 82 8.769 6.612 -7.168 1.00 0.00 N ATOM 1298 CA LEU A 82 9.780 6.685 -8.214 1.00 0.00 C ATOM 1299 C LEU A 82 10.189 8.128 -8.490 1.00 0.00 C ATOM 1300 O LEU A 82 11.277 8.382 -9.009 1.00 0.00 O ATOM 1301 CB LEU A 82 9.259 6.021 -9.493 1.00 0.00 C ATOM 1302 CG LEU A 82 9.058 4.494 -9.438 1.00 0.00 C ATOM 1303 CD1 LEU A 82 10.086 3.793 -10.310 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.139 3.955 -8.014 1.00 0.00 C ATOM 0 H LEU A 82 7.849 6.318 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 82 10.665 6.150 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.306 6.482 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.954 6.245 -10.302 1.00 0.00 H new ATOM 0 HG LEU A 82 8.056 4.289 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.931 2.715 -10.260 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.977 4.128 -11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.088 4.032 -9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.991 2.875 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.118 4.183 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.365 4.421 -7.404 1.00 0.00 H new ATOM 1316 N GLN A 83 9.312 9.070 -8.147 1.00 0.00 N ATOM 1317 CA GLN A 83 9.594 10.488 -8.354 1.00 0.00 C ATOM 1318 C GLN A 83 10.915 10.888 -7.697 1.00 0.00 C ATOM 1319 O GLN A 83 11.493 11.923 -8.027 1.00 0.00 O ATOM 1320 CB GLN A 83 8.455 11.349 -7.800 1.00 0.00 C ATOM 1321 CG GLN A 83 7.143 11.190 -8.555 1.00 0.00 C ATOM 1322 CD GLN A 83 7.166 11.844 -9.925 1.00 0.00 C ATOM 1323 OE1 GLN A 83 8.217 11.959 -10.556 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.000 12.272 -10.394 1.00 0.00 N ATOM 0 H GLN A 83 8.403 8.877 -7.726 1.00 0.00 H new ATOM 0 HA GLN A 83 9.678 10.657 -9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.294 11.093 -6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.756 12.396 -7.829 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.921 10.129 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.335 11.623 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.153 12.156 -9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.951 12.716 -11.311 1.00 0.00 H new ATOM 1333 N ARG A 84 11.383 10.062 -6.763 1.00 0.00 N ATOM 1334 CA ARG A 84 12.640 10.328 -6.067 1.00 0.00 C ATOM 1335 C ARG A 84 13.617 9.168 -6.237 1.00 0.00 C ATOM 1336 O ARG A 84 14.822 9.328 -6.045 1.00 0.00 O ATOM 1337 CB ARG A 84 12.388 10.569 -4.576 1.00 0.00 C ATOM 1338 CG ARG A 84 11.466 11.743 -4.291 1.00 0.00 C ATOM 1339 CD ARG A 84 11.347 12.001 -2.797 1.00 0.00 C ATOM 1340 NE ARG A 84 10.427 13.098 -2.504 1.00 0.00 N ATOM 1341 CZ ARG A 84 10.338 13.688 -1.316 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.115 13.296 -0.314 1.00 0.00 N ATOM 1343 NH2 ARG A 84 9.473 14.674 -1.128 1.00 0.00 N ATOM 0 H ARG A 84 10.912 9.205 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 84 13.079 11.223 -6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.958 9.667 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.343 10.740 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.846 12.636 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.479 11.543 -4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.002 11.095 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.331 12.234 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 84 9.819 13.430 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.784 12.539 -0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.043 13.752 0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.875 14.981 -1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.405 15.126 -0.216 1.00 0.00 H new ATOM 1357 N ILE A 85 13.091 8.001 -6.599 1.00 0.00 N ATOM 1358 CA ILE A 85 13.920 6.815 -6.787 1.00 0.00 C ATOM 1359 C ILE A 85 13.642 6.152 -8.137 1.00 0.00 C ATOM 1360 O ILE A 85 12.718 5.348 -8.258 1.00 0.00 O ATOM 1361 CB ILE A 85 13.681 5.785 -5.666 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.671 6.477 -4.300 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.749 4.701 -5.711 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.206 5.584 -3.168 1.00 0.00 C ATOM 0 H ILE A 85 12.096 7.852 -6.768 1.00 0.00 H new ATOM 0 HA ILE A 85 14.958 7.147 -6.757 1.00 0.00 H new ATOM 0 HB ILE A 85 12.708 5.318 -5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.676 6.837 -4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.023 7.352 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.569 3.980 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.712 4.194 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.732 5.153 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.226 6.143 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.190 5.244 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.868 4.722 -3.089 1.00 0.00 H new ATOM 1376 N PRO A 86 14.438 6.481 -9.176 1.00 0.00 N ATOM 1377 CA PRO A 86 14.261 5.906 -10.514 1.00 0.00 C ATOM 1378 C PRO A 86 14.716 4.456 -10.587 1.00 0.00 C ATOM 1379 O PRO A 86 14.437 3.752 -11.559 1.00 0.00 O ATOM 1380 CB PRO A 86 15.142 6.789 -11.397 1.00 0.00 C ATOM 1381 CG PRO A 86 16.206 7.294 -10.484 1.00 0.00 C ATOM 1382 CD PRO A 86 15.564 7.435 -9.128 1.00 0.00 C ATOM 0 HA PRO A 86 13.214 5.888 -10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.567 6.222 -12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.571 7.609 -11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.047 6.602 -10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.596 8.251 -10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.262 7.192 -8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.219 8.454 -8.952 1.00 0.00 H new ATOM 1390 N GLU A 87 15.417 4.018 -9.551 1.00 0.00 N ATOM 1391 CA GLU A 87 15.918 2.650 -9.480 1.00 0.00 C ATOM 1392 C GLU A 87 15.133 1.849 -8.446 1.00 0.00 C ATOM 1393 O GLU A 87 15.559 0.778 -8.013 1.00 0.00 O ATOM 1394 CB GLU A 87 17.405 2.648 -9.118 1.00 0.00 C ATOM 1395 CG GLU A 87 18.278 3.402 -10.109 1.00 0.00 C ATOM 1396 CD GLU A 87 18.196 2.834 -11.513 1.00 0.00 C ATOM 1397 OE1 GLU A 87 18.927 1.864 -11.804 1.00 0.00 O ATOM 1398 OE2 GLU A 87 17.402 3.360 -12.321 1.00 0.00 O ATOM 0 H GLU A 87 15.654 4.593 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 87 15.790 2.185 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.529 3.089 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.752 1.617 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.978 4.450 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.313 3.373 -9.770 1.00 0.00 H new ATOM 1405 N PHE A 88 13.978 2.381 -8.065 1.00 0.00 N ATOM 1406 CA PHE A 88 13.118 1.742 -7.076 1.00 0.00 C ATOM 1407 C PHE A 88 12.598 0.398 -7.572 1.00 0.00 C ATOM 1408 O PHE A 88 12.393 0.200 -8.769 1.00 0.00 O ATOM 1409 CB PHE A 88 11.940 2.655 -6.745 1.00 0.00 C ATOM 1410 CG PHE A 88 11.172 2.233 -5.524 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.665 2.490 -4.255 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.955 1.580 -5.646 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.960 2.104 -3.131 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.246 1.192 -4.527 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.748 1.454 -3.267 1.00 0.00 C ATOM 0 H PHE A 88 13.613 3.261 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 88 13.713 1.566 -6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.309 3.670 -6.598 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.262 2.682 -7.598 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.611 2.998 -4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.557 1.372 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.356 2.310 -2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.299 0.684 -4.637 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.195 1.152 -2.390 1.00 0.00 H new ATOM 1425 N ASN A 89 12.387 -0.522 -6.637 1.00 0.00 N ATOM 1426 CA ASN A 89 11.881 -1.849 -6.961 1.00 0.00 C ATOM 1427 C ASN A 89 10.717 -2.213 -6.044 1.00 0.00 C ATOM 1428 O ASN A 89 10.907 -2.840 -5.002 1.00 0.00 O ATOM 1429 CB ASN A 89 12.998 -2.888 -6.839 1.00 0.00 C ATOM 1430 CG ASN A 89 14.143 -2.619 -7.798 1.00 0.00 C ATOM 1431 OD1 ASN A 89 15.098 -1.921 -7.462 1.00 0.00 O ATOM 1432 ND2 ASN A 89 14.048 -3.171 -9.002 1.00 0.00 N ATOM 0 H ASN A 89 12.560 -0.371 -5.643 1.00 0.00 H new ATOM 0 HA ASN A 89 11.523 -1.842 -7.990 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.377 -2.893 -5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.591 -3.880 -7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.786 -3.023 -9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.237 -3.743 -9.238 1.00 0.00 H new ATOM 1439 N MET A 90 9.513 -1.802 -6.436 1.00 0.00 N ATOM 1440 CA MET A 90 8.313 -2.073 -5.648 1.00 0.00 C ATOM 1441 C MET A 90 8.066 -3.573 -5.521 1.00 0.00 C ATOM 1442 O MET A 90 7.440 -4.026 -4.562 1.00 0.00 O ATOM 1443 CB MET A 90 7.096 -1.395 -6.285 1.00 0.00 C ATOM 1444 CG MET A 90 5.845 -1.452 -5.423 1.00 0.00 C ATOM 1445 SD MET A 90 6.035 -0.567 -3.862 1.00 0.00 S ATOM 1446 CE MET A 90 4.380 -0.705 -3.189 1.00 0.00 C ATOM 0 H MET A 90 9.343 -1.280 -7.295 1.00 0.00 H new ATOM 0 HA MET A 90 8.468 -1.666 -4.649 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.338 -0.352 -6.490 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.888 -1.869 -7.244 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.007 -1.028 -5.977 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.597 -2.493 -5.218 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.407 -0.519 -2.115 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.730 0.027 -3.668 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.995 -1.708 -3.374 1.00 0.00 H new ATOM 1456 N ALA A 91 8.558 -4.337 -6.489 1.00 0.00 N ATOM 1457 CA ALA A 91 8.386 -5.785 -6.476 1.00 0.00 C ATOM 1458 C ALA A 91 9.136 -6.414 -5.306 1.00 0.00 C ATOM 1459 O ALA A 91 8.540 -7.082 -4.460 1.00 0.00 O ATOM 1460 CB ALA A 91 8.857 -6.384 -7.793 1.00 0.00 C ATOM 0 H ALA A 91 9.078 -3.980 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 91 7.325 -6.001 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.723 -7.465 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.274 -5.964 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.912 -6.152 -7.942 1.00 0.00 H new ATOM 1466 N ALA A 92 10.444 -6.188 -5.261 1.00 0.00 N ATOM 1467 CA ALA A 92 11.277 -6.731 -4.196 1.00 0.00 C ATOM 1468 C ALA A 92 10.997 -6.033 -2.869 1.00 0.00 C ATOM 1469 O ALA A 92 11.207 -6.606 -1.799 1.00 0.00 O ATOM 1470 CB ALA A 92 12.747 -6.601 -4.560 1.00 0.00 C ATOM 0 H ALA A 92 10.950 -5.632 -5.950 1.00 0.00 H new ATOM 0 HA ALA A 92 11.033 -7.787 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.359 -7.010 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.944 -7.150 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.994 -5.549 -4.705 1.00 0.00 H new ATOM 1476 N PHE A 93 10.524 -4.794 -2.947 1.00 0.00 N ATOM 1477 CA PHE A 93 10.217 -4.014 -1.752 1.00 0.00 C ATOM 1478 C PHE A 93 9.063 -4.638 -0.974 1.00 0.00 C ATOM 1479 O PHE A 93 9.173 -4.877 0.227 1.00 0.00 O ATOM 1480 CB PHE A 93 9.877 -2.569 -2.130 1.00 0.00 C ATOM 1481 CG PHE A 93 9.407 -1.734 -0.971 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.303 -1.282 -0.014 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.068 -1.402 -0.840 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.871 -0.515 1.052 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.631 -0.635 0.222 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.532 -0.192 1.170 1.00 0.00 C ATOM 0 H PHE A 93 10.345 -4.307 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 93 11.100 -4.014 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.758 -2.101 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.104 -2.576 -2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.350 -1.532 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.358 -1.747 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.578 -0.169 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.585 -0.382 0.311 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.191 0.406 2.002 1.00 0.00 H new ATOM 1496 N THR A 94 7.958 -4.898 -1.666 1.00 0.00 N ATOM 1497 CA THR A 94 6.781 -5.488 -1.035 1.00 0.00 C ATOM 1498 C THR A 94 7.075 -6.888 -0.505 1.00 0.00 C ATOM 1499 O THR A 94 6.705 -7.219 0.622 1.00 0.00 O ATOM 1500 CB THR A 94 5.592 -5.557 -2.011 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.979 -6.242 -3.209 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.091 -4.162 -2.354 1.00 0.00 C ATOM 0 H THR A 94 7.852 -4.710 -2.663 1.00 0.00 H new ATOM 0 HA THR A 94 6.518 -4.839 -0.200 1.00 0.00 H new ATOM 0 HB THR A 94 4.784 -6.105 -1.527 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.472 -5.628 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.251 -4.237 -3.045 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.768 -3.657 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.894 -3.591 -2.820 1.00 0.00 H new ATOM 1510 N THR A 95 7.735 -7.706 -1.320 1.00 0.00 N ATOM 1511 CA THR A 95 8.074 -9.069 -0.919 1.00 0.00 C ATOM 1512 C THR A 95 8.860 -9.075 0.387 1.00 0.00 C ATOM 1513 O THR A 95 8.538 -9.819 1.315 1.00 0.00 O ATOM 1514 CB THR A 95 8.901 -9.786 -2.000 1.00 0.00 C ATOM 1515 OG1 THR A 95 10.052 -9.004 -2.338 1.00 0.00 O ATOM 1516 CG2 THR A 95 8.066 -10.039 -3.246 1.00 0.00 C ATOM 0 H THR A 95 8.045 -7.451 -2.258 1.00 0.00 H new ATOM 0 HA THR A 95 7.132 -9.600 -0.781 1.00 0.00 H new ATOM 0 HB THR A 95 9.222 -10.747 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.723 -9.577 -2.764 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.674 -10.547 -3.995 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.210 -10.663 -2.990 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.715 -9.089 -3.648 1.00 0.00 H new ATOM 1524 N THR A 96 9.892 -8.241 0.451 1.00 0.00 N ATOM 1525 CA THR A 96 10.729 -8.145 1.640 1.00 0.00 C ATOM 1526 C THR A 96 9.974 -7.484 2.791 1.00 0.00 C ATOM 1527 O THR A 96 10.228 -7.774 3.959 1.00 0.00 O ATOM 1528 CB THR A 96 12.015 -7.343 1.353 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.699 -7.902 0.224 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.941 -7.346 2.559 1.00 0.00 C ATOM 0 H THR A 96 10.169 -7.620 -0.309 1.00 0.00 H new ATOM 0 HA THR A 96 10.999 -9.162 1.925 1.00 0.00 H new ATOM 0 HB THR A 96 11.730 -6.313 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.303 -7.555 -0.603 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.840 -6.774 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.431 -6.895 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.217 -8.372 2.803 1.00 0.00 H new ATOM 1538 N LEU A 97 9.040 -6.599 2.450 1.00 0.00 N ATOM 1539 CA LEU A 97 8.249 -5.892 3.454 1.00 0.00 C ATOM 1540 C LEU A 97 7.459 -6.875 4.316 1.00 0.00 C ATOM 1541 O LEU A 97 7.319 -6.681 5.524 1.00 0.00 O ATOM 1542 CB LEU A 97 7.289 -4.909 2.777 1.00 0.00 C ATOM 1543 CG LEU A 97 7.076 -3.579 3.511 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.159 -2.672 2.708 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.503 -3.810 4.902 1.00 0.00 C ATOM 0 H LEU A 97 8.813 -6.355 1.486 1.00 0.00 H new ATOM 0 HA LEU A 97 8.934 -5.339 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.663 -4.695 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.322 -5.397 2.658 1.00 0.00 H new ATOM 0 HG LEU A 97 8.046 -3.093 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.018 -1.732 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.606 -2.472 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.194 -3.160 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.362 -2.851 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.544 -4.321 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.193 -4.423 5.482 1.00 0.00 H new ATOM 1557 N GLN A 98 6.949 -7.930 3.686 1.00 0.00 N ATOM 1558 CA GLN A 98 6.168 -8.943 4.392 1.00 0.00 C ATOM 1559 C GLN A 98 6.922 -9.470 5.609 1.00 0.00 C ATOM 1560 O GLN A 98 6.316 -9.945 6.570 1.00 0.00 O ATOM 1561 CB GLN A 98 5.821 -10.099 3.452 1.00 0.00 C ATOM 1562 CG GLN A 98 5.045 -9.668 2.218 1.00 0.00 C ATOM 1563 CD GLN A 98 3.721 -9.011 2.560 1.00 0.00 C ATOM 1564 OE1 GLN A 98 3.101 -9.327 3.574 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.282 -8.090 1.709 1.00 0.00 N ATOM 0 H GLN A 98 7.062 -8.106 2.688 1.00 0.00 H new ATOM 0 HA GLN A 98 5.246 -8.474 4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.742 -10.590 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.236 -10.838 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.651 -8.973 1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.862 -10.537 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.830 -7.859 0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.397 -7.614 1.885 1.00 0.00 H new ATOM 1574 N HIS A 99 8.248 -9.386 5.559 1.00 0.00 N ATOM 1575 CA HIS A 99 9.086 -9.846 6.659 1.00 0.00 C ATOM 1576 C HIS A 99 9.589 -8.661 7.478 1.00 0.00 C ATOM 1577 O HIS A 99 9.791 -8.770 8.688 1.00 0.00 O ATOM 1578 CB HIS A 99 10.275 -10.646 6.124 1.00 0.00 C ATOM 1579 CG HIS A 99 9.883 -11.883 5.378 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.951 -13.147 5.927 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.426 -12.049 4.114 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.556 -14.035 5.033 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.231 -13.395 3.926 1.00 0.00 N ATOM 0 H HIS A 99 8.765 -9.003 4.767 1.00 0.00 H new ATOM 0 HA HIS A 99 8.485 -10.490 7.301 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.864 -10.007 5.466 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.919 -10.925 6.958 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.248 -11.268 3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.507 -15.103 5.183 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.890 -13.830 3.069 1.00 0.00 H new ATOM 1592 N HIS A 100 9.781 -7.529 6.809 1.00 0.00 N ATOM 1593 CA HIS A 100 10.264 -6.322 7.467 1.00 0.00 C ATOM 1594 C HIS A 100 9.194 -5.739 8.386 1.00 0.00 C ATOM 1595 O HIS A 100 9.450 -4.793 9.128 1.00 0.00 O ATOM 1596 CB HIS A 100 10.685 -5.283 6.424 1.00 0.00 C ATOM 1597 CG HIS A 100 11.490 -4.153 6.988 1.00 0.00 C ATOM 1598 ND1 HIS A 100 10.922 -3.016 7.525 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.831 -3.986 7.094 1.00 0.00 C ATOM 1600 CE1 HIS A 100 11.877 -2.201 7.935 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.043 -2.765 7.685 1.00 0.00 N ATOM 0 H HIS A 100 9.609 -7.423 5.809 1.00 0.00 H new ATOM 0 HA HIS A 100 11.130 -6.587 8.073 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.266 -5.778 5.646 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.792 -4.878 5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.591 -4.683 6.773 1.00 0.00 H new ATOM 0 HE1 HIS A 100 11.728 -1.236 8.397 1.00 0.00 H new ATOM 0 HE2 HIS A 100 13.955 -2.360 7.897 1.00 0.00 H new ATOM 1610 N LYS A 101 7.994 -6.313 8.333 1.00 0.00 N ATOM 1611 CA LYS A 101 6.891 -5.848 9.167 1.00 0.00 C ATOM 1612 C LYS A 101 7.184 -6.111 10.640 1.00 0.00 C ATOM 1613 O LYS A 101 6.519 -5.570 11.523 1.00 0.00 O ATOM 1614 CB LYS A 101 5.584 -6.534 8.763 1.00 0.00 C ATOM 1615 CG LYS A 101 5.613 -8.046 8.922 1.00 0.00 C ATOM 1616 CD LYS A 101 4.259 -8.667 8.614 1.00 0.00 C ATOM 1617 CE LYS A 101 3.231 -8.323 9.681 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.898 -8.913 9.380 1.00 0.00 N ATOM 0 H LYS A 101 7.762 -7.097 7.724 1.00 0.00 H new ATOM 0 HA LYS A 101 6.783 -4.774 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.770 -6.130 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.362 -6.291 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.367 -8.468 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.907 -8.300 9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.909 -8.315 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.362 -9.750 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.578 -8.685 10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.139 -7.240 9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.227 -8.655 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.555 -8.548 8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.980 -9.949 9.330 1.00 0.00 H new ATOM 1632 N ASP A 102 8.187 -6.949 10.895 1.00 0.00 N ATOM 1633 CA ASP A 102 8.574 -7.285 12.260 1.00 0.00 C ATOM 1634 C ASP A 102 9.443 -6.185 12.864 1.00 0.00 C ATOM 1635 O ASP A 102 9.789 -6.233 14.043 1.00 0.00 O ATOM 1636 CB ASP A 102 9.324 -8.618 12.289 1.00 0.00 C ATOM 1637 CG ASP A 102 8.457 -9.781 11.851 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.390 -10.046 10.633 1.00 0.00 O ATOM 1639 OD2 ASP A 102 7.847 -10.429 12.728 1.00 0.00 O ATOM 0 H ASP A 102 8.745 -7.406 10.174 1.00 0.00 H new ATOM 0 HA ASP A 102 7.666 -7.376 12.856 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.197 -8.554 11.639 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.691 -8.803 13.298 1.00 0.00 H new ATOM 1644 N GLU A 103 9.793 -5.196 12.045 1.00 0.00 N ATOM 1645 CA GLU A 103 10.622 -4.086 12.501 1.00 0.00 C ATOM 1646 C GLU A 103 9.893 -2.756 12.330 1.00 0.00 C ATOM 1647 O GLU A 103 9.902 -1.914 13.228 1.00 0.00 O ATOM 1648 CB GLU A 103 11.946 -4.061 11.735 1.00 0.00 C ATOM 1649 CG GLU A 103 12.922 -3.009 12.240 1.00 0.00 C ATOM 1650 CD GLU A 103 14.243 -3.035 11.498 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.360 -2.336 10.469 1.00 0.00 O ATOM 1652 OE2 GLU A 103 15.161 -3.754 11.944 1.00 0.00 O ATOM 0 H GLU A 103 9.516 -5.142 11.065 1.00 0.00 H new ATOM 0 HA GLU A 103 10.829 -4.231 13.561 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.415 -5.043 11.804 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.742 -3.879 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.471 -2.022 12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.103 -3.168 13.303 1.00 0.00 H new ATOM 1659 N VAL A 104 9.262 -2.572 11.172 1.00 0.00 N ATOM 1660 CA VAL A 104 8.524 -1.344 10.889 1.00 0.00 C ATOM 1661 C VAL A 104 7.135 -1.393 11.521 1.00 0.00 C ATOM 1662 O VAL A 104 6.637 -2.466 11.857 1.00 0.00 O ATOM 1663 CB VAL A 104 8.389 -1.105 9.368 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.407 -2.087 8.747 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.967 0.330 9.085 1.00 0.00 C ATOM 0 H VAL A 104 9.247 -3.257 10.416 1.00 0.00 H new ATOM 0 HA VAL A 104 9.089 -0.518 11.322 1.00 0.00 H new ATOM 0 HB VAL A 104 9.365 -1.272 8.912 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.331 -1.897 7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.759 -3.106 8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.427 -1.963 9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.878 0.477 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.006 0.527 9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.715 1.015 9.484 1.00 0.00 H new ATOM 1675 N ALA A 105 6.517 -0.225 11.680 1.00 0.00 N ATOM 1676 CA ALA A 105 5.188 -0.143 12.272 1.00 0.00 C ATOM 1677 C ALA A 105 4.178 -0.972 11.484 1.00 0.00 C ATOM 1678 O ALA A 105 3.778 -0.596 10.379 1.00 0.00 O ATOM 1679 CB ALA A 105 4.735 1.308 12.352 1.00 0.00 C ATOM 0 H ALA A 105 6.915 0.674 11.408 1.00 0.00 H new ATOM 0 HA ALA A 105 5.243 -0.553 13.280 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.741 1.355 12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.434 1.874 12.967 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.705 1.736 11.350 1.00 0.00 H new ATOM 1685 N GLY A 106 3.772 -2.099 12.058 1.00 0.00 N ATOM 1686 CA GLY A 106 2.811 -2.963 11.400 1.00 0.00 C ATOM 1687 C GLY A 106 1.467 -2.289 11.212 1.00 0.00 C ATOM 1688 O GLY A 106 0.749 -2.577 10.255 1.00 0.00 O ATOM 0 H GLY A 106 4.092 -2.430 12.968 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.203 -3.265 10.429 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.680 -3.872 11.988 1.00 0.00 H new ATOM 1692 N ASP A 107 1.129 -1.391 12.131 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.136 -0.669 12.071 1.00 0.00 C ATOM 1694 C ASP A 107 -0.221 0.181 10.808 1.00 0.00 C ATOM 1695 O ASP A 107 -1.290 0.319 10.213 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.301 0.216 13.309 1.00 0.00 C ATOM 1697 CG ASP A 107 0.860 1.172 13.497 1.00 0.00 C ATOM 1698 OD1 ASP A 107 1.861 0.774 14.127 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.768 2.320 13.013 1.00 0.00 O ATOM 0 H ASP A 107 1.716 -1.145 12.928 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.942 -1.402 12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.226 0.786 13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.395 -0.415 14.193 1.00 0.00 H new ATOM 1704 N ILE A 108 0.910 0.750 10.402 1.00 0.00 N ATOM 1705 CA ILE A 108 0.954 1.585 9.208 1.00 0.00 C ATOM 1706 C ILE A 108 0.850 0.737 7.943 1.00 0.00 C ATOM 1707 O ILE A 108 0.040 1.026 7.060 1.00 0.00 O ATOM 1708 CB ILE A 108 2.245 2.423 9.151 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.342 3.331 10.381 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.285 3.246 7.868 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.636 4.114 10.463 1.00 0.00 C ATOM 0 H ILE A 108 1.805 0.648 10.881 1.00 0.00 H new ATOM 0 HA ILE A 108 0.100 2.260 9.262 1.00 0.00 H new ATOM 0 HB ILE A 108 3.102 1.749 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.505 4.030 10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.239 2.722 11.279 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.203 3.833 7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.256 2.579 7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.425 3.915 7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.630 4.733 11.360 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.478 3.423 10.505 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.733 4.750 9.583 1.00 0.00 H new ATOM 1723 N PHE A 109 1.667 -0.308 7.859 1.00 0.00 N ATOM 1724 CA PHE A 109 1.649 -1.189 6.697 1.00 0.00 C ATOM 1725 C PHE A 109 0.318 -1.920 6.589 1.00 0.00 C ATOM 1726 O PHE A 109 -0.119 -2.267 5.493 1.00 0.00 O ATOM 1727 CB PHE A 109 2.798 -2.202 6.748 1.00 0.00 C ATOM 1728 CG PHE A 109 2.794 -3.163 5.589 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.694 -2.698 4.285 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.882 -4.530 5.802 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.681 -3.577 3.217 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.870 -5.414 4.739 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.769 -4.937 3.445 1.00 0.00 C ATOM 0 H PHE A 109 2.345 -0.564 8.576 1.00 0.00 H new ATOM 0 HA PHE A 109 1.780 -0.564 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.747 -1.665 6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.736 -2.766 7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.625 -1.636 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.961 -4.909 6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.602 -3.201 2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.939 -6.477 4.919 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.759 -5.626 2.614 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.326 -2.147 7.733 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.605 -2.852 7.769 1.00 0.00 C ATOM 1745 C ASP A 110 -2.573 -2.284 6.738 1.00 0.00 C ATOM 1746 O ASP A 110 -3.440 -2.995 6.231 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.222 -2.761 9.166 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.574 -3.441 9.246 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.610 -4.661 9.514 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.597 -2.756 9.038 1.00 0.00 O ATOM 0 H ASP A 110 0.018 -1.853 8.647 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.419 -3.898 7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.546 -3.217 9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.328 -1.713 9.446 1.00 0.00 H new ATOM 1755 N MET A 111 -2.422 -1.000 6.429 1.00 0.00 N ATOM 1756 CA MET A 111 -3.275 -0.352 5.442 1.00 0.00 C ATOM 1757 C MET A 111 -2.926 -0.852 4.046 1.00 0.00 C ATOM 1758 O MET A 111 -3.793 -1.295 3.291 1.00 0.00 O ATOM 1759 CB MET A 111 -3.110 1.166 5.509 1.00 0.00 C ATOM 1760 CG MET A 111 -3.961 1.916 4.496 1.00 0.00 C ATOM 1761 SD MET A 111 -3.563 3.672 4.418 1.00 0.00 S ATOM 1762 CE MET A 111 -1.864 3.609 3.855 1.00 0.00 C ATOM 0 H MET A 111 -1.719 -0.390 6.847 1.00 0.00 H new ATOM 0 HA MET A 111 -4.314 -0.600 5.661 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.368 1.507 6.512 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.062 1.417 5.347 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.821 1.472 3.510 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.014 1.797 4.753 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.198 3.868 4.678 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.634 2.603 3.505 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.725 4.318 3.039 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.640 -0.784 3.719 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.145 -1.227 2.422 1.00 0.00 C ATOM 1774 C LEU A 112 -1.312 -2.735 2.270 1.00 0.00 C ATOM 1775 O LEU A 112 -1.369 -3.254 1.158 1.00 0.00 O ATOM 1776 CB LEU A 112 0.326 -0.840 2.258 1.00 0.00 C ATOM 1777 CG LEU A 112 0.614 0.662 2.322 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.111 0.921 2.239 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.115 1.397 1.207 1.00 0.00 C ATOM 0 H LEU A 112 -0.917 -0.423 4.341 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.729 -0.735 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.905 -1.339 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.681 -1.222 1.301 1.00 0.00 H new ATOM 0 HG LEU A 112 0.249 1.040 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.298 1.994 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.612 0.429 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.497 0.526 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.103 2.463 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.218 1.016 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.189 1.240 1.309 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.395 -3.426 3.401 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.549 -4.876 3.416 1.00 0.00 C ATOM 1793 C LEU A 113 -2.693 -5.314 2.506 1.00 0.00 C ATOM 1794 O LEU A 113 -2.698 -6.434 1.993 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.791 -5.364 4.847 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.766 -6.882 5.036 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.409 -7.449 4.645 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.100 -7.242 6.476 1.00 0.00 C ATOM 0 H LEU A 113 -1.358 -3.001 4.327 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.628 -5.322 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.035 -4.922 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.758 -4.989 5.182 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.521 -7.323 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.412 -8.530 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.207 -7.221 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.365 -7.003 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.078 -8.325 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.367 -6.789 7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.094 -6.870 6.723 1.00 0.00 H new ATOM 1810 N THR A 114 -3.664 -4.424 2.315 1.00 0.00 N ATOM 1811 CA THR A 114 -4.816 -4.712 1.467 1.00 0.00 C ATOM 1812 C THR A 114 -4.408 -4.973 0.014 1.00 0.00 C ATOM 1813 O THR A 114 -5.265 -5.164 -0.849 1.00 0.00 O ATOM 1814 CB THR A 114 -5.835 -3.556 1.499 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.236 -2.357 0.994 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.338 -3.316 2.915 1.00 0.00 C ATOM 0 H THR A 114 -3.675 -3.496 2.737 1.00 0.00 H new ATOM 0 HA THR A 114 -5.275 -5.615 1.870 1.00 0.00 H new ATOM 0 HB THR A 114 -6.681 -3.833 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.723 -1.922 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.056 -2.496 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.821 -4.219 3.288 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.498 -3.061 3.561 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.102 -4.984 -0.256 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.603 -5.230 -1.606 1.00 0.00 C ATOM 1826 C PHE A 115 -2.951 -6.643 -2.065 1.00 0.00 C ATOM 1827 O PHE A 115 -3.137 -6.890 -3.257 1.00 0.00 O ATOM 1828 CB PHE A 115 -1.083 -5.033 -1.673 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.639 -3.596 -1.757 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.329 -2.680 -2.539 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.480 -3.163 -1.059 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.913 -1.364 -2.622 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.898 -1.847 -1.137 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.201 -0.948 -1.920 1.00 0.00 C ATOM 0 H PHE A 115 -2.374 -4.826 0.441 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.084 -4.511 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.632 -5.488 -0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.698 -5.570 -2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.202 -2.999 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.031 -3.862 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.459 -0.662 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.769 -1.523 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.527 0.080 -1.983 1.00 0.00 H new ATOM 1844 N THR A 116 -3.036 -7.569 -1.113 1.00 0.00 N ATOM 1845 CA THR A 116 -3.356 -8.957 -1.429 1.00 0.00 C ATOM 1846 C THR A 116 -4.294 -9.573 -0.394 1.00 0.00 C ATOM 1847 O THR A 116 -5.057 -10.488 -0.706 1.00 0.00 O ATOM 1848 CB THR A 116 -2.080 -9.814 -1.524 1.00 0.00 C ATOM 1849 OG1 THR A 116 -2.423 -11.178 -1.795 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.280 -9.734 -0.232 1.00 0.00 C ATOM 0 H THR A 116 -2.888 -7.384 -0.121 1.00 0.00 H new ATOM 0 HA THR A 116 -3.859 -8.947 -2.396 1.00 0.00 H new ATOM 0 HB THR A 116 -1.468 -9.427 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.606 -11.715 -1.855 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.383 -10.347 -0.321 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.995 -8.699 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.888 -10.099 0.596 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.233 -9.072 0.838 1.00 0.00 N ATOM 1859 CA ASP A 117 -5.082 -9.582 1.910 1.00 0.00 C ATOM 1860 C ASP A 117 -6.540 -9.204 1.677 1.00 0.00 C ATOM 1861 O ASP A 117 -6.999 -8.149 2.117 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.610 -9.048 3.263 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.241 -9.576 3.641 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.255 -9.195 2.976 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.154 -10.369 4.602 1.00 0.00 O ATOM 0 H ASP A 117 -3.607 -8.317 1.117 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.006 -10.669 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.581 -7.959 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.330 -9.326 4.033 1.00 0.00 H new ATOM 1870 N PHE A 118 -7.264 -10.076 0.979 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.671 -9.839 0.675 1.00 0.00 C ATOM 1872 C PHE A 118 -9.481 -9.648 1.953 1.00 0.00 C ATOM 1873 O PHE A 118 -10.416 -8.848 1.991 1.00 0.00 O ATOM 1874 CB PHE A 118 -9.242 -11.004 -0.137 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.632 -10.752 -0.654 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.828 -10.078 -1.849 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.741 -11.187 0.055 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -12.104 -9.844 -2.328 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -13.019 -10.956 -0.419 1.00 0.00 C ATOM 1880 CZ PHE A 118 -13.200 -10.283 -1.612 1.00 0.00 C ATOM 0 H PHE A 118 -6.897 -10.955 0.613 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.740 -8.925 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.581 -11.207 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -9.251 -11.899 0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.974 -9.732 -2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.605 -11.713 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.243 -9.318 -3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.875 -11.301 0.142 1.00 0.00 H new ATOM 0 HZ PHE A 118 -14.197 -10.101 -1.984 1.00 0.00 H new ATOM 1890 N LEU A 119 -9.118 -10.387 2.997 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.815 -10.297 4.276 1.00 0.00 C ATOM 1892 C LEU A 119 -9.742 -8.882 4.839 1.00 0.00 C ATOM 1893 O LEU A 119 -10.713 -8.380 5.405 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.226 -11.291 5.282 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.634 -12.756 5.079 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -11.147 -12.911 5.142 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.098 -13.285 3.756 1.00 0.00 C ATOM 0 H LEU A 119 -8.346 -11.054 2.983 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.862 -10.547 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.139 -11.225 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.523 -10.985 6.285 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.197 -13.343 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.412 -13.958 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.507 -12.579 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.607 -12.307 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.398 -14.325 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.501 -12.690 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.010 -13.219 3.752 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.586 -8.244 4.685 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.394 -6.886 5.176 1.00 0.00 C ATOM 1911 C ALA A 120 -9.068 -5.877 4.253 1.00 0.00 C ATOM 1912 O ALA A 120 -9.462 -4.792 4.680 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.912 -6.575 5.314 1.00 0.00 C ATOM 0 H ALA A 120 -7.770 -8.646 4.224 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.857 -6.810 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.787 -5.557 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.458 -7.273 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.428 -6.672 4.342 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.194 -6.250 2.983 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.817 -5.389 1.984 1.00 0.00 C ATOM 1921 C PHE A 121 -11.287 -5.150 2.320 1.00 0.00 C ATOM 1922 O PHE A 121 -11.736 -4.006 2.427 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.687 -6.033 0.599 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.784 -5.065 -0.548 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.071 -3.876 -0.535 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.581 -5.351 -1.646 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.153 -2.990 -1.593 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.664 -4.470 -2.708 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.950 -3.288 -2.681 1.00 0.00 C ATOM 0 H PHE A 121 -8.871 -7.147 2.621 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.308 -4.425 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.730 -6.551 0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.465 -6.788 0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.444 -3.639 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.143 -6.273 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.595 -2.066 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.287 -4.706 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.015 -2.598 -3.509 1.00 0.00 H new ATOM 1939 N LYS A 122 -12.028 -6.238 2.500 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.442 -6.160 2.823 1.00 0.00 C ATOM 1941 C LYS A 122 -13.659 -5.528 4.193 1.00 0.00 C ATOM 1942 O LYS A 122 -14.437 -4.585 4.334 1.00 0.00 O ATOM 1943 CB LYS A 122 -14.054 -7.558 2.788 1.00 0.00 C ATOM 1944 CG LYS A 122 -14.711 -7.906 1.462 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.425 -9.248 1.525 1.00 0.00 C ATOM 1946 CE LYS A 122 -16.618 -9.207 2.470 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.586 -8.136 2.103 1.00 0.00 N ATOM 0 H LYS A 122 -11.667 -7.189 2.426 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.931 -5.529 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.276 -8.291 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -14.795 -7.640 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.424 -7.126 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -13.955 -7.932 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.761 -9.529 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.726 -10.017 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.124 -10.172 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -16.267 -9.045 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.497 -8.317 2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.216 -7.214 2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.721 -8.129 1.072 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.968 -6.055 5.200 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.089 -5.544 6.564 1.00 0.00 C ATOM 1963 C GLU A 123 -12.827 -4.042 6.613 1.00 0.00 C ATOM 1964 O GLU A 123 -13.360 -3.338 7.472 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.115 -6.275 7.491 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.217 -5.842 8.945 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.215 -6.550 9.835 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.550 -7.630 10.365 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.093 -6.026 10.001 1.00 0.00 O ATOM 0 H GLU A 123 -12.319 -6.835 5.098 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.109 -5.724 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.300 -7.347 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.097 -6.106 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.060 -4.765 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.225 -6.040 9.310 1.00 0.00 H new ATOM 1976 N MET A 124 -12.005 -3.556 5.687 1.00 0.00 N ATOM 1977 CA MET A 124 -11.671 -2.136 5.628 1.00 0.00 C ATOM 1978 C MET A 124 -12.861 -1.308 5.154 1.00 0.00 C ATOM 1979 O MET A 124 -13.200 -0.291 5.760 1.00 0.00 O ATOM 1980 CB MET A 124 -10.478 -1.911 4.697 1.00 0.00 C ATOM 1981 CG MET A 124 -10.061 -0.453 4.581 1.00 0.00 C ATOM 1982 SD MET A 124 -8.598 -0.227 3.551 1.00 0.00 S ATOM 1983 CE MET A 124 -9.179 -0.878 1.987 1.00 0.00 C ATOM 0 H MET A 124 -11.558 -4.124 4.967 1.00 0.00 H new ATOM 0 HA MET A 124 -11.408 -1.812 6.635 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.631 -2.495 5.058 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.726 -2.289 3.705 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.886 0.125 4.164 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.864 -0.055 5.577 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.531 -0.528 1.184 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.162 -1.967 2.018 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.198 -0.536 1.806 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.494 -1.747 4.069 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.644 -1.033 3.514 1.00 0.00 C ATOM 1995 C PHE A 125 -15.832 -1.058 4.470 1.00 0.00 C ATOM 1996 O PHE A 125 -16.432 -0.021 4.751 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.052 -1.634 2.169 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.055 -1.389 1.073 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.755 -0.099 0.664 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.421 -2.449 0.449 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.839 0.127 -0.344 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.505 -2.230 -0.559 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.212 -0.939 -0.958 1.00 0.00 C ATOM 0 H PHE A 125 -13.233 -2.590 3.557 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.344 0.005 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.192 -2.708 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.015 -1.219 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.243 0.739 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.646 -3.460 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.613 1.137 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.017 -3.067 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.495 -0.765 -1.747 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.171 -2.245 4.962 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.293 -2.398 5.884 1.00 0.00 C ATOM 2015 C LEU A 126 -17.124 -1.498 7.104 1.00 0.00 C ATOM 2016 O LEU A 126 -18.083 -0.878 7.566 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.428 -3.860 6.322 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.230 -4.757 5.371 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.597 -4.784 3.988 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.337 -6.165 5.934 1.00 0.00 C ATOM 0 H LEU A 126 -15.686 -3.114 4.739 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.202 -2.100 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.429 -4.281 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.900 -3.886 7.304 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.234 -4.342 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.184 -5.427 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.572 -3.774 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.581 -5.171 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.909 -6.789 5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.338 -6.584 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.840 -6.133 6.900 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.901 -1.429 7.619 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.610 -0.596 8.780 1.00 0.00 C ATOM 2034 C ASP A 127 -15.809 0.877 8.442 1.00 0.00 C ATOM 2035 O ASP A 127 -16.412 1.627 9.210 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.177 -0.835 9.259 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.795 0.068 10.415 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.098 -0.288 11.573 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.192 1.131 10.162 1.00 0.00 O ATOM 0 H ASP A 127 -15.097 -1.938 7.252 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.299 -0.867 9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.068 -1.876 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.488 -0.671 8.431 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.296 1.282 7.283 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.421 2.663 6.832 1.00 0.00 C ATOM 2046 C TYR A 128 -16.889 3.060 6.727 1.00 0.00 C ATOM 2047 O TYR A 128 -17.250 4.208 6.982 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.727 2.839 5.479 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.850 4.233 4.903 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.024 5.262 5.336 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.793 4.518 3.924 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.133 6.535 4.810 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.910 5.788 3.392 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.077 6.793 3.838 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.189 8.059 3.312 1.00 0.00 O ATOM 0 H TYR A 128 -14.790 0.673 6.640 1.00 0.00 H new ATOM 0 HA TYR A 128 -14.939 3.312 7.563 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.671 2.594 5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.148 2.125 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.284 5.064 6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.446 3.733 3.572 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.483 7.324 5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.649 5.992 2.632 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.901 8.072 2.638 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.731 2.101 6.351 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.162 2.345 6.222 1.00 0.00 C ATOM 2067 C ARG A 129 -19.765 2.714 7.574 1.00 0.00 C ATOM 2068 O ARG A 129 -20.457 3.724 7.703 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.859 1.104 5.658 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.358 1.276 5.463 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.994 0.012 4.906 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.432 0.167 4.698 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.190 -0.742 4.091 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.649 -1.861 3.633 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.491 -0.532 3.942 1.00 0.00 N ATOM 0 H ARG A 129 -17.445 1.147 6.130 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.311 3.178 5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.405 0.847 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.684 0.264 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.823 1.530 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.545 2.108 4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.517 -0.247 3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.814 -0.816 5.591 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.879 1.019 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.649 -2.027 3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.232 -2.556 3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.912 0.328 4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.070 -1.230 3.476 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.491 1.885 8.579 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.002 2.112 9.926 1.00 0.00 C ATOM 2091 C ALA A 130 -19.598 3.488 10.447 1.00 0.00 C ATOM 2092 O ALA A 130 -20.332 4.108 11.217 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.506 1.023 10.865 1.00 0.00 C ATOM 0 H ALA A 130 -18.916 1.048 8.484 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.091 2.077 9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.894 1.203 11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.852 0.052 10.511 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.416 1.033 10.890 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.428 3.958 10.023 1.00 0.00 N ATOM 2100 CA GLU A 131 -17.929 5.264 10.447 1.00 0.00 C ATOM 2101 C GLU A 131 -18.942 6.366 10.146 1.00 0.00 C ATOM 2102 O GLU A 131 -19.196 7.231 10.985 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.594 5.574 9.766 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.467 4.642 10.189 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.236 4.649 11.688 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.608 5.606 12.189 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.683 3.697 12.362 1.00 0.00 O ATOM 0 H GLU A 131 -17.808 3.456 9.387 1.00 0.00 H new ATOM 0 HA GLU A 131 -17.775 5.229 11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.722 5.509 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.310 6.602 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.699 3.627 9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -14.548 4.936 9.682 1.00 0.00 H new