USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 114 THR OG1 : rot -82:sc= 0.468 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 159:sc= -0.206 (180deg=-0.718) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 45 MET CE :methyl 133:sc= -0.269 (180deg=-0.855) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= -0.0246 (180deg=-0.186) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.616 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) 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= -2.35! K(o=-2.3!,f=-0.054) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.032 (180deg=-0.261) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -4.52 K(o=-4.5,f=-12!) USER MOD Single : A 83 GLN : amide:sc= -1.55! K(o=-1.6!,f=-0.67) USER MOD Single : A 89 ASN : amide:sc= -1.19! X(o=-1.2!,f=-1.6) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -83:sc= 0.959 USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.288 USER MOD Single : A 96 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,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= -0.304 X(o=-0.3,f=-0.13) USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -0.0514 (180deg=-0.324) USER MOD Single : A 111 MET CE :methyl -172:sc= -1.25 (180deg=-1.56) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 166:sc= -0.0227 (180deg=-0.232) USER MOD Single : A 124 MET CE :methyl 167:sc= -0.438 (180deg=-0.897) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.108 2.011 5.813 1.00 0.00 N ATOM 243 CA ALA A 19 19.262 3.386 5.349 1.00 0.00 C ATOM 244 C ALA A 19 18.246 3.731 4.263 1.00 0.00 C ATOM 245 O ALA A 19 17.444 4.654 4.419 1.00 0.00 O ATOM 246 CB ALA A 19 20.676 3.611 4.836 1.00 0.00 C ATOM 0 HA ALA A 19 19.078 4.046 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.779 4.640 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.389 3.424 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.875 2.931 4.008 1.00 0.00 H new ATOM 252 N GLU A 20 18.270 2.974 3.171 1.00 0.00 N ATOM 253 CA GLU A 20 17.354 3.208 2.061 1.00 0.00 C ATOM 254 C GLU A 20 15.952 2.720 2.404 1.00 0.00 C ATOM 255 O GLU A 20 14.963 3.375 2.081 1.00 0.00 O ATOM 256 CB GLU A 20 17.857 2.510 0.795 1.00 0.00 C ATOM 257 CG GLU A 20 16.967 2.727 -0.419 1.00 0.00 C ATOM 258 CD GLU A 20 16.820 4.192 -0.783 1.00 0.00 C ATOM 259 OE1 GLU A 20 15.890 4.842 -0.262 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.635 4.688 -1.589 1.00 0.00 O ATOM 0 H GLU A 20 18.913 2.194 3.031 1.00 0.00 H new ATOM 0 HA GLU A 20 17.312 4.282 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.861 2.869 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.938 1.440 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.381 2.185 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.981 2.305 -0.222 1.00 0.00 H new ATOM 267 N PHE A 21 15.877 1.566 3.060 1.00 0.00 N ATOM 268 CA PHE A 21 14.594 0.998 3.451 1.00 0.00 C ATOM 269 C PHE A 21 13.794 1.992 4.287 1.00 0.00 C ATOM 270 O PHE A 21 12.608 2.209 4.040 1.00 0.00 O ATOM 271 CB PHE A 21 14.799 -0.299 4.236 1.00 0.00 C ATOM 272 CG PHE A 21 13.515 -0.996 4.587 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.886 -1.823 3.670 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.934 -0.819 5.832 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.703 -2.462 3.990 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.752 -1.455 6.157 1.00 0.00 C ATOM 277 CZ PHE A 21 11.135 -2.277 5.235 1.00 0.00 C ATOM 0 H PHE A 21 16.687 1.009 3.331 1.00 0.00 H new ATOM 0 HA PHE A 21 14.033 0.776 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.422 -0.975 3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.345 -0.077 5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.325 -1.970 2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.411 -0.176 6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.223 -3.105 3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.310 -1.309 7.132 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.210 -2.774 5.487 1.00 0.00 H new ATOM 287 N ASP A 22 14.449 2.595 5.275 1.00 0.00 N ATOM 288 CA ASP A 22 13.792 3.568 6.142 1.00 0.00 C ATOM 289 C ASP A 22 13.390 4.810 5.354 1.00 0.00 C ATOM 290 O ASP A 22 12.327 5.384 5.587 1.00 0.00 O ATOM 291 CB ASP A 22 14.704 3.962 7.303 1.00 0.00 C ATOM 292 CG ASP A 22 14.032 4.923 8.264 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.076 6.145 8.009 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.459 4.453 9.270 1.00 0.00 O ATOM 0 H ASP A 22 15.431 2.428 5.495 1.00 0.00 H new ATOM 0 HA ASP A 22 12.893 3.102 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.008 3.065 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.611 4.421 6.910 1.00 0.00 H new ATOM 299 N ALA A 23 14.251 5.224 4.425 1.00 0.00 N ATOM 300 CA ALA A 23 13.974 6.394 3.602 1.00 0.00 C ATOM 301 C ALA A 23 12.620 6.263 2.913 1.00 0.00 C ATOM 302 O ALA A 23 11.780 7.162 2.993 1.00 0.00 O ATOM 303 CB ALA A 23 15.077 6.591 2.573 1.00 0.00 C ATOM 0 H ALA A 23 15.141 4.767 4.226 1.00 0.00 H new ATOM 0 HA ALA A 23 13.943 7.269 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.856 7.469 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.030 6.734 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.137 5.712 1.931 1.00 0.00 H new ATOM 309 N VAL A 24 12.414 5.134 2.239 1.00 0.00 N ATOM 310 CA VAL A 24 11.160 4.876 1.544 1.00 0.00 C ATOM 311 C VAL A 24 9.983 4.931 2.511 1.00 0.00 C ATOM 312 O VAL A 24 8.949 5.529 2.210 1.00 0.00 O ATOM 313 CB VAL A 24 11.172 3.502 0.847 1.00 0.00 C ATOM 314 CG1 VAL A 24 9.913 3.312 0.014 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.416 3.351 -0.016 1.00 0.00 C ATOM 0 H VAL A 24 13.101 4.384 2.161 1.00 0.00 H new ATOM 0 HA VAL A 24 11.049 5.654 0.788 1.00 0.00 H new ATOM 0 HB VAL A 24 11.192 2.728 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.941 2.336 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.037 3.372 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.858 4.092 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.407 2.374 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.429 4.132 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.305 3.438 0.609 1.00 0.00 H new ATOM 325 N VAL A 25 10.146 4.301 3.673 1.00 0.00 N ATOM 326 CA VAL A 25 9.098 4.281 4.687 1.00 0.00 C ATOM 327 C VAL A 25 8.657 5.699 5.036 1.00 0.00 C ATOM 328 O VAL A 25 7.467 5.962 5.210 1.00 0.00 O ATOM 329 CB VAL A 25 9.559 3.558 5.970 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.492 3.644 7.052 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.902 2.106 5.668 1.00 0.00 C ATOM 0 H VAL A 25 10.994 3.798 3.934 1.00 0.00 H new ATOM 0 HA VAL A 25 8.256 3.732 4.265 1.00 0.00 H new ATOM 0 HB VAL A 25 10.456 4.055 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.839 3.128 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.298 4.690 7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.574 3.176 6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.225 1.611 6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.022 1.599 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.705 2.067 4.932 1.00 0.00 H new ATOM 341 N GLY A 26 9.623 6.608 5.136 1.00 0.00 N ATOM 342 CA GLY A 26 9.306 7.988 5.447 1.00 0.00 C ATOM 343 C GLY A 26 8.422 8.610 4.387 1.00 0.00 C ATOM 344 O GLY A 26 7.459 9.312 4.700 1.00 0.00 O ATOM 0 H GLY A 26 10.616 6.413 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.805 8.038 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.228 8.563 5.535 1.00 0.00 H new ATOM 348 N TYR A 27 8.751 8.345 3.124 1.00 0.00 N ATOM 349 CA TYR A 27 7.975 8.871 2.009 1.00 0.00 C ATOM 350 C TYR A 27 6.556 8.313 2.036 1.00 0.00 C ATOM 351 O TYR A 27 5.611 8.978 1.613 1.00 0.00 O ATOM 352 CB TYR A 27 8.650 8.530 0.676 1.00 0.00 C ATOM 353 CG TYR A 27 10.032 9.127 0.522 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.250 10.484 0.734 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.119 8.335 0.165 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.510 11.033 0.596 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.381 8.880 0.025 1.00 0.00 C ATOM 358 CZ TYR A 27 12.571 10.228 0.243 1.00 0.00 C ATOM 359 OH TYR A 27 13.828 10.773 0.108 1.00 0.00 O ATOM 0 H TYR A 27 9.548 7.770 2.850 1.00 0.00 H new ATOM 0 HA TYR A 27 7.926 9.955 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.720 7.446 0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.019 8.881 -0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.421 11.119 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.974 7.278 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.663 12.089 0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.215 8.253 -0.254 1.00 0.00 H new ATOM 0 HH TYR A 27 14.464 10.071 -0.144 1.00 0.00 H new ATOM 369 N LEU A 28 6.413 7.090 2.541 1.00 0.00 N ATOM 370 CA LEU A 28 5.107 6.446 2.629 1.00 0.00 C ATOM 371 C LEU A 28 4.182 7.226 3.557 1.00 0.00 C ATOM 372 O LEU A 28 3.036 7.509 3.210 1.00 0.00 O ATOM 373 CB LEU A 28 5.252 5.004 3.128 1.00 0.00 C ATOM 374 CG LEU A 28 6.030 4.066 2.201 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.183 2.693 2.838 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.337 3.950 0.850 1.00 0.00 C ATOM 0 H LEU A 28 7.186 6.526 2.895 1.00 0.00 H new ATOM 0 HA LEU A 28 4.669 6.432 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.747 5.021 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.256 4.589 3.285 1.00 0.00 H new ATOM 0 HG LEU A 28 7.023 4.487 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.738 2.040 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.723 2.787 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.197 2.267 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.905 3.279 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.331 3.553 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.277 4.934 0.386 1.00 0.00 H new ATOM 388 N GLU A 29 4.688 7.570 4.739 1.00 0.00 N ATOM 389 CA GLU A 29 3.909 8.325 5.714 1.00 0.00 C ATOM 390 C GLU A 29 3.446 9.650 5.120 1.00 0.00 C ATOM 391 O GLU A 29 2.302 10.064 5.316 1.00 0.00 O ATOM 392 CB GLU A 29 4.739 8.576 6.975 1.00 0.00 C ATOM 393 CG GLU A 29 5.192 7.302 7.668 1.00 0.00 C ATOM 394 CD GLU A 29 6.066 7.574 8.878 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.297 7.694 8.704 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.520 7.665 9.997 1.00 0.00 O ATOM 0 H GLU A 29 5.633 7.338 5.043 1.00 0.00 H new ATOM 0 HA GLU A 29 3.030 7.738 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.616 9.168 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.151 9.171 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.317 6.731 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.742 6.683 6.959 1.00 0.00 H new ATOM 403 N ASP A 30 4.342 10.309 4.393 1.00 0.00 N ATOM 404 CA ASP A 30 4.027 11.586 3.762 1.00 0.00 C ATOM 405 C ASP A 30 2.840 11.440 2.812 1.00 0.00 C ATOM 406 O ASP A 30 2.046 12.366 2.648 1.00 0.00 O ATOM 407 CB ASP A 30 5.244 12.117 3.002 1.00 0.00 C ATOM 408 CG ASP A 30 4.981 13.459 2.349 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.208 14.494 3.008 1.00 0.00 O ATOM 410 OD2 ASP A 30 4.550 13.474 1.176 1.00 0.00 O ATOM 0 H ASP A 30 5.293 9.980 4.226 1.00 0.00 H new ATOM 0 HA ASP A 30 3.760 12.297 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.085 12.210 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.534 11.396 2.238 1.00 0.00 H new ATOM 415 N ILE A 31 2.727 10.268 2.192 1.00 0.00 N ATOM 416 CA ILE A 31 1.639 9.995 1.260 1.00 0.00 C ATOM 417 C ILE A 31 0.321 9.792 2.000 1.00 0.00 C ATOM 418 O ILE A 31 -0.727 10.264 1.561 1.00 0.00 O ATOM 419 CB ILE A 31 1.932 8.744 0.407 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.223 8.934 -0.390 1.00 0.00 C ATOM 421 CG2 ILE A 31 0.767 8.449 -0.528 1.00 0.00 C ATOM 422 CD1 ILE A 31 3.740 7.658 -1.017 1.00 0.00 C ATOM 0 H ILE A 31 3.377 9.492 2.319 1.00 0.00 H new ATOM 0 HA ILE A 31 1.557 10.863 0.605 1.00 0.00 H new ATOM 0 HB ILE A 31 2.059 7.892 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.051 9.671 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.990 9.342 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.992 7.563 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.135 8.273 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.608 9.299 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.658 7.868 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.944 6.926 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.991 7.259 -1.701 1.00 0.00 H new ATOM 434 N ILE A 32 0.380 9.086 3.124 1.00 0.00 N ATOM 435 CA ILE A 32 -0.812 8.818 3.922 1.00 0.00 C ATOM 436 C ILE A 32 -1.476 10.116 4.372 1.00 0.00 C ATOM 437 O ILE A 32 -2.702 10.200 4.454 1.00 0.00 O ATOM 438 CB ILE A 32 -0.481 7.959 5.158 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.185 6.648 4.728 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.741 7.680 5.967 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.654 5.792 5.886 1.00 0.00 C ATOM 0 H ILE A 32 1.240 8.689 3.503 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.503 8.266 3.285 1.00 0.00 H new ATOM 0 HB ILE A 32 0.215 8.511 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.519 6.074 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.038 6.877 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.488 7.072 6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.177 8.623 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.460 7.145 5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.114 4.882 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.383 6.347 6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.198 5.531 6.514 1.00 0.00 H new ATOM 453 N MET A 33 -0.662 11.127 4.663 1.00 0.00 N ATOM 454 CA MET A 33 -1.179 12.418 5.104 1.00 0.00 C ATOM 455 C MET A 33 -1.265 13.403 3.942 1.00 0.00 C ATOM 456 O MET A 33 -1.585 14.576 4.135 1.00 0.00 O ATOM 457 CB MET A 33 -0.293 12.997 6.210 1.00 0.00 C ATOM 458 CG MET A 33 -0.230 12.129 7.457 1.00 0.00 C ATOM 459 SD MET A 33 0.754 12.871 8.774 1.00 0.00 S ATOM 460 CE MET A 33 -0.193 14.353 9.114 1.00 0.00 C ATOM 0 H MET A 33 0.355 11.077 4.602 1.00 0.00 H new ATOM 0 HA MET A 33 -2.184 12.259 5.495 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.716 13.134 5.821 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.666 13.984 6.483 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.242 11.950 7.822 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.191 11.158 7.198 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.049 14.718 10.112 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.053 15.119 8.378 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.258 14.125 9.059 1.00 0.00 H new ATOM 470 N ASP A 34 -0.980 12.921 2.737 1.00 0.00 N ATOM 471 CA ASP A 34 -1.027 13.763 1.547 1.00 0.00 C ATOM 472 C ASP A 34 -2.468 14.120 1.195 1.00 0.00 C ATOM 473 O ASP A 34 -3.331 13.246 1.111 1.00 0.00 O ATOM 474 CB ASP A 34 -0.358 13.056 0.368 1.00 0.00 C ATOM 475 CG ASP A 34 -0.266 13.940 -0.859 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.221 13.940 -1.662 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.761 14.633 -1.015 1.00 0.00 O ATOM 0 H ASP A 34 -0.714 11.953 2.559 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.484 14.684 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.643 12.738 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.920 12.155 0.122 1.00 0.00 H new ATOM 482 N ASP A 35 -2.719 15.410 0.986 1.00 0.00 N ATOM 483 CA ASP A 35 -4.056 15.892 0.649 1.00 0.00 C ATOM 484 C ASP A 35 -4.598 15.207 -0.603 1.00 0.00 C ATOM 485 O ASP A 35 -5.735 14.732 -0.617 1.00 0.00 O ATOM 486 CB ASP A 35 -4.035 17.408 0.449 1.00 0.00 C ATOM 487 CG ASP A 35 -2.993 17.845 -0.562 1.00 0.00 C ATOM 488 OD1 ASP A 35 -1.814 17.988 -0.174 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.355 18.045 -1.740 1.00 0.00 O ATOM 0 H ASP A 35 -2.012 16.142 1.044 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.718 15.647 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.019 17.742 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.837 17.895 1.404 1.00 0.00 H new ATOM 494 N GLU A 36 -3.785 15.161 -1.654 1.00 0.00 N ATOM 495 CA GLU A 36 -4.191 14.534 -2.908 1.00 0.00 C ATOM 496 C GLU A 36 -4.497 13.053 -2.707 1.00 0.00 C ATOM 497 O GLU A 36 -5.306 12.473 -3.430 1.00 0.00 O ATOM 498 CB GLU A 36 -3.101 14.700 -3.967 1.00 0.00 C ATOM 499 CG GLU A 36 -2.782 16.150 -4.291 1.00 0.00 C ATOM 500 CD GLU A 36 -3.957 16.884 -4.906 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.806 17.391 -4.142 1.00 0.00 O ATOM 502 OE2 GLU A 36 -4.031 16.951 -6.152 1.00 0.00 O ATOM 0 H GLU A 36 -2.842 15.550 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.099 15.031 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.193 14.205 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.413 14.193 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.475 16.663 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.936 16.187 -4.977 1.00 0.00 H new ATOM 509 N PHE A 37 -3.846 12.449 -1.718 1.00 0.00 N ATOM 510 CA PHE A 37 -4.044 11.034 -1.421 1.00 0.00 C ATOM 511 C PHE A 37 -5.363 10.806 -0.689 1.00 0.00 C ATOM 512 O PHE A 37 -6.070 9.834 -0.954 1.00 0.00 O ATOM 513 CB PHE A 37 -2.880 10.505 -0.579 1.00 0.00 C ATOM 514 CG PHE A 37 -3.055 9.080 -0.132 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.844 8.031 -1.013 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.431 8.791 1.171 1.00 0.00 C ATOM 517 CE1 PHE A 37 -3.005 6.722 -0.604 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.594 7.482 1.585 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.380 6.446 0.696 1.00 0.00 C ATOM 0 H PHE A 37 -3.176 12.918 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.080 10.491 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.959 10.584 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.761 11.140 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.550 8.240 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.598 9.597 1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.838 5.914 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.888 7.269 2.602 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.506 5.423 1.017 1.00 0.00 H new ATOM 529 N GLN A 38 -5.687 11.707 0.232 1.00 0.00 N ATOM 530 CA GLN A 38 -6.919 11.603 1.008 1.00 0.00 C ATOM 531 C GLN A 38 -8.146 11.690 0.106 1.00 0.00 C ATOM 532 O GLN A 38 -9.083 10.901 0.240 1.00 0.00 O ATOM 533 CB GLN A 38 -6.971 12.707 2.065 1.00 0.00 C ATOM 534 CG GLN A 38 -5.841 12.632 3.080 1.00 0.00 C ATOM 535 CD GLN A 38 -5.861 13.788 4.063 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.301 14.889 3.734 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.383 13.541 5.277 1.00 0.00 N ATOM 0 H GLN A 38 -5.113 12.519 0.460 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.925 10.631 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.938 13.676 1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.924 12.651 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.912 11.693 3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.886 12.623 2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.028 12.613 5.506 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.371 14.280 5.980 1.00 0.00 H new ATOM 546 N LEU A 39 -8.136 12.652 -0.810 1.00 0.00 N ATOM 547 CA LEU A 39 -9.250 12.845 -1.732 1.00 0.00 C ATOM 548 C LEU A 39 -9.344 11.697 -2.734 1.00 0.00 C ATOM 549 O LEU A 39 -10.431 11.197 -3.016 1.00 0.00 O ATOM 550 CB LEU A 39 -9.098 14.174 -2.477 1.00 0.00 C ATOM 551 CG LEU A 39 -10.180 14.466 -3.519 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.538 14.632 -2.854 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.822 15.709 -4.319 1.00 0.00 C ATOM 0 H LEU A 39 -7.368 13.311 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.169 12.864 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.092 14.983 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.127 14.185 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.237 13.618 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.292 14.839 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.798 13.716 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.498 15.461 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.601 15.904 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.737 16.563 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.871 15.552 -4.829 1.00 0.00 H new ATOM 565 N LEU A 40 -8.197 11.286 -3.267 1.00 0.00 N ATOM 566 CA LEU A 40 -8.146 10.201 -4.245 1.00 0.00 C ATOM 567 C LEU A 40 -8.732 8.908 -3.683 1.00 0.00 C ATOM 568 O LEU A 40 -9.621 8.302 -4.283 1.00 0.00 O ATOM 569 CB LEU A 40 -6.698 9.959 -4.682 1.00 0.00 C ATOM 570 CG LEU A 40 -6.497 8.804 -5.668 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.742 9.268 -7.095 1.00 0.00 C ATOM 572 CD2 LEU A 40 -5.100 8.218 -5.525 1.00 0.00 C ATOM 0 H LEU A 40 -7.288 11.688 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.747 10.501 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.315 10.873 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.095 9.767 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.221 8.024 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.594 8.433 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.764 9.636 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.044 10.068 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.975 7.399 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.359 8.991 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.964 7.844 -4.510 1.00 0.00 H new ATOM 584 N GLN A 41 -8.232 8.495 -2.522 1.00 0.00 N ATOM 585 CA GLN A 41 -8.687 7.265 -1.883 1.00 0.00 C ATOM 586 C GLN A 41 -10.172 7.324 -1.539 1.00 0.00 C ATOM 587 O GLN A 41 -10.930 6.416 -1.873 1.00 0.00 O ATOM 588 CB GLN A 41 -7.866 6.995 -0.621 1.00 0.00 C ATOM 589 CG GLN A 41 -8.234 5.698 0.081 1.00 0.00 C ATOM 590 CD GLN A 41 -7.286 5.359 1.213 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.499 5.756 2.358 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.229 4.618 0.898 1.00 0.00 N ATOM 0 H GLN A 41 -7.510 8.996 -2.004 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.543 6.449 -2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.809 6.968 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.000 7.824 0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.248 5.776 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.234 4.884 -0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.091 4.310 -0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.556 4.357 1.619 1.00 0.00 H new ATOM 601 N ARG A 42 -10.581 8.397 -0.870 1.00 0.00 N ATOM 602 CA ARG A 42 -11.975 8.566 -0.470 1.00 0.00 C ATOM 603 C ARG A 42 -12.903 8.655 -1.681 1.00 0.00 C ATOM 604 O ARG A 42 -14.047 8.198 -1.632 1.00 0.00 O ATOM 605 CB ARG A 42 -12.121 9.824 0.389 1.00 0.00 C ATOM 606 CG ARG A 42 -13.519 10.023 0.951 1.00 0.00 C ATOM 607 CD ARG A 42 -13.623 11.323 1.730 1.00 0.00 C ATOM 608 NE ARG A 42 -12.641 11.396 2.809 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.304 12.526 3.422 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.855 13.677 3.055 1.00 0.00 N ATOM 611 NH2 ARG A 42 -11.410 12.507 4.402 1.00 0.00 N ATOM 0 H ARG A 42 -9.967 9.163 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.264 7.689 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.411 9.773 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.853 10.695 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.243 10.026 0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.774 9.186 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.479 12.164 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.626 11.417 2.146 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.189 10.532 3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.540 13.696 2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.593 14.542 3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.982 11.625 4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.151 13.374 4.873 1.00 0.00 H new ATOM 625 N ASN A 43 -12.405 9.240 -2.765 1.00 0.00 N ATOM 626 CA ASN A 43 -13.197 9.401 -3.981 1.00 0.00 C ATOM 627 C ASN A 43 -13.622 8.055 -4.560 1.00 0.00 C ATOM 628 O ASN A 43 -14.794 7.851 -4.877 1.00 0.00 O ATOM 629 CB ASN A 43 -12.408 10.191 -5.027 1.00 0.00 C ATOM 630 CG ASN A 43 -13.209 10.436 -6.291 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.166 9.643 -7.231 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.949 11.539 -6.317 1.00 0.00 N ATOM 0 H ASN A 43 -11.457 9.611 -2.827 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.099 9.952 -3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.103 11.147 -4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.497 9.648 -5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.512 11.756 -7.139 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.954 12.169 -5.514 1.00 0.00 H new ATOM 639 N PHE A 44 -12.669 7.139 -4.698 1.00 0.00 N ATOM 640 CA PHE A 44 -12.960 5.820 -5.252 1.00 0.00 C ATOM 641 C PHE A 44 -13.634 4.915 -4.225 1.00 0.00 C ATOM 642 O PHE A 44 -14.534 4.146 -4.565 1.00 0.00 O ATOM 643 CB PHE A 44 -11.681 5.168 -5.776 1.00 0.00 C ATOM 644 CG PHE A 44 -11.217 5.750 -7.078 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.358 6.834 -7.100 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.649 5.216 -8.282 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.936 7.377 -8.299 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.233 5.755 -9.483 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.374 6.836 -9.492 1.00 0.00 C ATOM 0 H PHE A 44 -11.694 7.283 -4.436 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.654 5.956 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.892 5.280 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.850 4.099 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.013 7.261 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.319 4.369 -8.281 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.265 8.223 -8.303 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.579 5.332 -10.414 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.045 7.258 -10.430 1.00 0.00 H new ATOM 659 N MET A 45 -13.203 5.009 -2.972 1.00 0.00 N ATOM 660 CA MET A 45 -13.778 4.192 -1.906 1.00 0.00 C ATOM 661 C MET A 45 -15.270 4.469 -1.756 1.00 0.00 C ATOM 662 O MET A 45 -16.022 3.621 -1.279 1.00 0.00 O ATOM 663 CB MET A 45 -13.062 4.452 -0.580 1.00 0.00 C ATOM 664 CG MET A 45 -11.703 3.780 -0.482 1.00 0.00 C ATOM 665 SD MET A 45 -10.960 3.954 1.152 1.00 0.00 S ATOM 666 CE MET A 45 -12.134 3.054 2.161 1.00 0.00 C ATOM 0 H MET A 45 -12.461 5.639 -2.669 1.00 0.00 H new ATOM 0 HA MET A 45 -13.644 3.145 -2.177 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.937 5.527 -0.449 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.691 4.102 0.238 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.807 2.721 -0.719 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.035 4.209 -1.229 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.598 2.376 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.718 3.757 2.754 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.801 2.480 1.518 1.00 0.00 H new ATOM 676 N ASP A 46 -15.688 5.662 -2.165 1.00 0.00 N ATOM 677 CA ASP A 46 -17.091 6.055 -2.081 1.00 0.00 C ATOM 678 C ASP A 46 -17.984 5.058 -2.814 1.00 0.00 C ATOM 679 O ASP A 46 -19.139 4.857 -2.442 1.00 0.00 O ATOM 680 CB ASP A 46 -17.286 7.456 -2.662 1.00 0.00 C ATOM 681 CG ASP A 46 -18.731 7.914 -2.592 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.110 8.525 -1.571 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.482 7.659 -3.557 1.00 0.00 O ATOM 0 H ASP A 46 -15.074 6.375 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.376 6.062 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.657 8.162 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.954 7.465 -3.700 1.00 0.00 H new ATOM 688 N LYS A 47 -17.446 4.444 -3.863 1.00 0.00 N ATOM 689 CA LYS A 47 -18.197 3.472 -4.650 1.00 0.00 C ATOM 690 C LYS A 47 -17.874 2.042 -4.225 1.00 0.00 C ATOM 691 O LYS A 47 -18.747 1.173 -4.215 1.00 0.00 O ATOM 692 CB LYS A 47 -17.889 3.653 -6.136 1.00 0.00 C ATOM 693 CG LYS A 47 -18.413 4.959 -6.715 1.00 0.00 C ATOM 694 CD LYS A 47 -19.933 4.996 -6.725 1.00 0.00 C ATOM 695 CE LYS A 47 -20.456 6.335 -7.222 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.983 6.640 -8.601 1.00 0.00 N ATOM 0 H LYS A 47 -16.492 4.602 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.258 3.646 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.810 3.608 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.321 2.820 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.032 5.796 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.039 5.084 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.313 4.197 -7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.309 4.808 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.546 6.328 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.132 7.125 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.491 7.470 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.963 6.840 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.164 5.823 -9.219 1.00 0.00 H new ATOM 710 N TYR A 48 -16.614 1.807 -3.881 1.00 0.00 N ATOM 711 CA TYR A 48 -16.166 0.483 -3.459 1.00 0.00 C ATOM 712 C TYR A 48 -16.977 -0.037 -2.272 1.00 0.00 C ATOM 713 O TYR A 48 -17.467 -1.165 -2.296 1.00 0.00 O ATOM 714 CB TYR A 48 -14.680 0.516 -3.089 1.00 0.00 C ATOM 715 CG TYR A 48 -13.743 0.424 -4.276 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.897 1.251 -5.382 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.699 -0.494 -4.286 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.039 1.167 -6.462 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.836 -0.584 -5.362 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.011 0.248 -6.446 1.00 0.00 C ATOM 721 OH TYR A 48 -11.153 0.164 -7.518 1.00 0.00 O ATOM 0 H TYR A 48 -15.882 2.517 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.319 -0.195 -4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.472 1.439 -2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.468 -0.308 -2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.701 1.972 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.560 -1.148 -3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.173 1.817 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.029 -1.302 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.270 0.501 -7.258 1.00 0.00 H new ATOM 731 N TYR A 49 -17.121 0.788 -1.238 1.00 0.00 N ATOM 732 CA TYR A 49 -17.860 0.391 -0.042 1.00 0.00 C ATOM 733 C TYR A 49 -19.343 0.174 -0.342 1.00 0.00 C ATOM 734 O TYR A 49 -20.071 -0.390 0.474 1.00 0.00 O ATOM 735 CB TYR A 49 -17.678 1.432 1.073 1.00 0.00 C ATOM 736 CG TYR A 49 -18.805 2.438 1.186 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.882 3.526 0.327 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.786 2.301 2.160 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.907 4.447 0.433 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.814 3.217 2.273 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.869 4.289 1.407 1.00 0.00 C ATOM 742 OH TYR A 49 -21.891 5.204 1.516 1.00 0.00 O ATOM 0 H TYR A 49 -16.737 1.732 -1.204 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.452 -0.561 0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.576 0.911 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.745 1.969 0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.129 3.655 -0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.744 1.464 2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.954 5.287 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.570 3.094 3.035 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.484 4.946 2.252 1.00 0.00 H new ATOM 752 N LEU A 50 -19.788 0.622 -1.513 1.00 0.00 N ATOM 753 CA LEU A 50 -21.185 0.465 -1.906 1.00 0.00 C ATOM 754 C LEU A 50 -21.445 -0.934 -2.454 1.00 0.00 C ATOM 755 O LEU A 50 -22.392 -1.606 -2.044 1.00 0.00 O ATOM 756 CB LEU A 50 -21.573 1.511 -2.955 1.00 0.00 C ATOM 757 CG LEU A 50 -21.609 2.956 -2.454 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.910 3.909 -3.602 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.643 3.110 -1.347 1.00 0.00 C ATOM 0 H LEU A 50 -19.204 1.095 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.797 0.611 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.868 1.449 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.556 1.257 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.629 3.206 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.932 4.933 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.136 3.817 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.878 3.660 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.655 4.144 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.628 2.843 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.387 2.453 -0.516 1.00 0.00 H new ATOM 771 N GLU A 51 -20.599 -1.368 -3.383 1.00 0.00 N ATOM 772 CA GLU A 51 -20.740 -2.688 -3.987 1.00 0.00 C ATOM 773 C GLU A 51 -20.389 -3.789 -2.989 1.00 0.00 C ATOM 774 O GLU A 51 -21.002 -4.857 -2.988 1.00 0.00 O ATOM 775 CB GLU A 51 -19.847 -2.802 -5.225 1.00 0.00 C ATOM 776 CG GLU A 51 -20.165 -1.778 -6.301 1.00 0.00 C ATOM 777 CD GLU A 51 -19.250 -1.893 -7.504 1.00 0.00 C ATOM 778 OE1 GLU A 51 -18.154 -1.294 -7.475 1.00 0.00 O ATOM 779 OE2 GLU A 51 -19.629 -2.581 -8.474 1.00 0.00 O ATOM 0 H GLU A 51 -19.810 -0.825 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.781 -2.813 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.806 -2.688 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.949 -3.802 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.199 -1.903 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.081 -0.776 -5.880 1.00 0.00 H new ATOM 786 N PHE A 52 -19.403 -3.520 -2.138 1.00 0.00 N ATOM 787 CA PHE A 52 -18.972 -4.489 -1.138 1.00 0.00 C ATOM 788 C PHE A 52 -19.969 -4.571 0.014 1.00 0.00 C ATOM 789 O PHE A 52 -19.849 -3.853 1.008 1.00 0.00 O ATOM 790 CB PHE A 52 -17.583 -4.128 -0.609 1.00 0.00 C ATOM 791 CG PHE A 52 -16.463 -4.584 -1.504 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.258 -3.988 -2.737 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.620 -5.610 -1.111 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.231 -4.407 -3.562 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.592 -6.034 -1.931 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.397 -5.432 -3.158 1.00 0.00 C ATOM 0 H PHE A 52 -18.888 -2.639 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.925 -5.467 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.520 -3.047 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.452 -4.571 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.908 -3.187 -3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.768 -6.084 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -15.081 -3.934 -4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.942 -6.835 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.594 -5.762 -3.801 1.00 0.00 H new ATOM 806 N GLU A 53 -20.956 -5.447 -0.135 1.00 0.00 N ATOM 807 CA GLU A 53 -21.977 -5.636 0.889 1.00 0.00 C ATOM 808 C GLU A 53 -21.864 -7.024 1.513 1.00 0.00 C ATOM 809 O GLU A 53 -21.567 -8.002 0.826 1.00 0.00 O ATOM 810 CB GLU A 53 -23.371 -5.444 0.285 1.00 0.00 C ATOM 811 CG GLU A 53 -24.502 -5.623 1.284 1.00 0.00 C ATOM 812 CD GLU A 53 -25.864 -5.364 0.673 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.419 -6.290 0.045 1.00 0.00 O ATOM 814 OE2 GLU A 53 -26.377 -4.235 0.822 1.00 0.00 O ATOM 0 H GLU A 53 -21.071 -6.039 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.822 -4.892 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.435 -4.445 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.504 -6.154 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.473 -6.637 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.350 -4.946 2.125 1.00 0.00 H new ATOM 821 N ASP A 54 -22.101 -7.104 2.819 1.00 0.00 N ATOM 822 CA ASP A 54 -22.026 -8.361 3.536 1.00 0.00 C ATOM 823 C ASP A 54 -23.076 -9.347 3.029 1.00 0.00 C ATOM 824 O ASP A 54 -24.256 -9.239 3.363 1.00 0.00 O ATOM 825 CB ASP A 54 -22.219 -8.103 5.026 1.00 0.00 C ATOM 826 CG ASP A 54 -23.356 -7.140 5.305 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.122 -5.914 5.256 1.00 0.00 O ATOM 828 OD2 ASP A 54 -24.482 -7.612 5.574 1.00 0.00 O ATOM 0 H ASP A 54 -22.348 -6.304 3.401 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.045 -8.804 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.415 -9.048 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.296 -7.702 5.445 1.00 0.00 H new ATOM 833 N THR A 55 -22.638 -10.304 2.216 1.00 0.00 N ATOM 834 CA THR A 55 -23.536 -11.307 1.659 1.00 0.00 C ATOM 835 C THR A 55 -22.888 -12.688 1.661 1.00 0.00 C ATOM 836 O THR A 55 -21.783 -12.864 2.176 1.00 0.00 O ATOM 837 CB THR A 55 -23.955 -10.954 0.220 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.798 -10.873 -0.621 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.708 -9.632 0.182 1.00 0.00 C ATOM 0 H THR A 55 -21.665 -10.405 1.929 1.00 0.00 H new ATOM 0 HA THR A 55 -24.422 -11.321 2.294 1.00 0.00 H new ATOM 0 HB THR A 55 -24.616 -11.740 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.073 -10.650 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.993 -9.405 -0.845 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.603 -9.705 0.799 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.068 -8.837 0.565 1.00 0.00 H new ATOM 847 N GLU A 56 -23.580 -13.662 1.079 1.00 0.00 N ATOM 848 CA GLU A 56 -23.073 -15.027 1.012 1.00 0.00 C ATOM 849 C GLU A 56 -23.015 -15.519 -0.431 1.00 0.00 C ATOM 850 O GLU A 56 -22.787 -16.702 -0.685 1.00 0.00 O ATOM 851 CB GLU A 56 -23.947 -15.959 1.856 1.00 0.00 C ATOM 852 CG GLU A 56 -25.440 -15.809 1.598 1.00 0.00 C ATOM 853 CD GLU A 56 -25.859 -16.325 0.235 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.123 -17.540 0.116 1.00 0.00 O ATOM 855 OE2 GLU A 56 -25.924 -15.515 -0.714 1.00 0.00 O ATOM 0 H GLU A 56 -24.494 -13.531 0.647 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.060 -15.033 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.656 -16.991 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.750 -15.769 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.992 -16.346 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.714 -14.757 1.683 1.00 0.00 H new ATOM 862 N GLU A 57 -23.222 -14.602 -1.372 1.00 0.00 N ATOM 863 CA GLU A 57 -23.193 -14.939 -2.790 1.00 0.00 C ATOM 864 C GLU A 57 -21.913 -14.426 -3.443 1.00 0.00 C ATOM 865 O GLU A 57 -21.618 -13.230 -3.399 1.00 0.00 O ATOM 866 CB GLU A 57 -24.415 -14.349 -3.498 1.00 0.00 C ATOM 867 CG GLU A 57 -24.486 -14.684 -4.979 1.00 0.00 C ATOM 868 CD GLU A 57 -25.711 -14.095 -5.652 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.640 -12.933 -6.104 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.741 -14.797 -5.726 1.00 0.00 O ATOM 0 H GLU A 57 -23.412 -13.619 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 57 -23.217 -16.025 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -25.318 -14.714 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.404 -13.265 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.589 -14.312 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.493 -15.767 -5.103 1.00 0.00 H new ATOM 877 N ASN A 58 -21.155 -15.335 -4.047 1.00 0.00 N ATOM 878 CA ASN A 58 -19.907 -14.973 -4.708 1.00 0.00 C ATOM 879 C ASN A 58 -20.171 -14.378 -6.087 1.00 0.00 C ATOM 880 O ASN A 58 -20.878 -14.969 -6.905 1.00 0.00 O ATOM 881 CB ASN A 58 -18.997 -16.197 -4.833 1.00 0.00 C ATOM 882 CG ASN A 58 -18.670 -16.815 -3.488 1.00 0.00 C ATOM 883 OD1 ASN A 58 -19.387 -17.691 -3.003 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.581 -16.361 -2.878 1.00 0.00 N ATOM 0 H ASN A 58 -21.383 -16.328 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.409 -14.219 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.480 -16.943 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.072 -15.909 -5.332 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.309 -16.739 -1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.016 -15.634 -3.317 1.00 0.00 H new ATOM 891 N LYS A 59 -19.600 -13.205 -6.337 1.00 0.00 N ATOM 892 CA LYS A 59 -19.767 -12.526 -7.618 1.00 0.00 C ATOM 893 C LYS A 59 -18.422 -12.329 -8.307 1.00 0.00 C ATOM 894 O LYS A 59 -17.393 -12.175 -7.651 1.00 0.00 O ATOM 895 CB LYS A 59 -20.444 -11.171 -7.415 1.00 0.00 C ATOM 896 CG LYS A 59 -21.812 -11.263 -6.762 1.00 0.00 C ATOM 897 CD LYS A 59 -22.411 -9.884 -6.536 1.00 0.00 C ATOM 898 CE LYS A 59 -23.777 -9.971 -5.877 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.351 -8.624 -5.608 1.00 0.00 N ATOM 0 H LYS A 59 -19.016 -12.703 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.396 -13.151 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.800 -10.541 -6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.545 -10.677 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.479 -11.853 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.728 -11.786 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.741 -9.293 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.499 -9.364 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.455 -10.533 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.694 -10.524 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.283 -8.727 -5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.717 -8.097 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.454 -8.106 -6.504 1.00 0.00 H new ATOM 913 N LEU A 60 -18.438 -12.339 -9.634 1.00 0.00 N ATOM 914 CA LEU A 60 -17.220 -12.157 -10.416 1.00 0.00 C ATOM 915 C LEU A 60 -16.850 -10.679 -10.518 1.00 0.00 C ATOM 916 O LEU A 60 -15.773 -10.333 -10.999 1.00 0.00 O ATOM 917 CB LEU A 60 -17.394 -12.753 -11.814 1.00 0.00 C ATOM 918 CG LEU A 60 -17.668 -14.258 -11.848 1.00 0.00 C ATOM 919 CD1 LEU A 60 -18.003 -14.708 -13.261 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.471 -15.031 -11.313 1.00 0.00 C ATOM 0 H LEU A 60 -19.281 -12.471 -10.192 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.409 -12.677 -9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.216 -12.238 -12.312 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.493 -12.550 -12.393 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.526 -14.465 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.195 -15.781 -13.265 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.890 -14.179 -13.611 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -17.165 -14.487 -13.922 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.684 -16.099 -11.345 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.596 -14.817 -11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.274 -14.731 -10.284 1.00 0.00 H new ATOM 932 N ILE A 61 -17.752 -9.813 -10.062 1.00 0.00 N ATOM 933 CA ILE A 61 -17.530 -8.370 -10.111 1.00 0.00 C ATOM 934 C ILE A 61 -16.374 -7.947 -9.203 1.00 0.00 C ATOM 935 O ILE A 61 -15.835 -6.843 -9.334 1.00 0.00 O ATOM 936 CB ILE A 61 -18.807 -7.597 -9.712 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.618 -6.091 -9.918 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.185 -7.895 -8.267 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.372 -5.701 -11.359 1.00 0.00 C ATOM 0 H ILE A 61 -18.646 -10.086 -9.653 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.271 -8.125 -11.141 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.620 -7.930 -10.357 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.504 -5.570 -9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.778 -5.753 -9.311 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.087 -7.341 -8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.369 -8.963 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.370 -7.594 -7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.248 -4.620 -11.427 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.469 -6.194 -11.720 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.222 -6.008 -11.969 1.00 0.00 H new ATOM 951 N TYR A 62 -15.984 -8.832 -8.293 1.00 0.00 N ATOM 952 CA TYR A 62 -14.896 -8.540 -7.369 1.00 0.00 C ATOM 953 C TYR A 62 -13.548 -8.518 -8.085 1.00 0.00 C ATOM 954 O TYR A 62 -12.581 -7.944 -7.580 1.00 0.00 O ATOM 955 CB TYR A 62 -14.875 -9.562 -6.230 1.00 0.00 C ATOM 956 CG TYR A 62 -16.077 -9.471 -5.314 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.358 -8.301 -4.620 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.931 -10.554 -5.147 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.455 -8.213 -3.785 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.031 -10.473 -4.313 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.289 -9.300 -3.635 1.00 0.00 C ATOM 962 OH TYR A 62 -19.382 -9.216 -2.802 1.00 0.00 O ATOM 0 H TYR A 62 -16.404 -9.754 -8.176 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.070 -7.548 -6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.826 -10.565 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.968 -9.420 -5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.708 -7.446 -4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.733 -11.474 -5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.658 -7.296 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.685 -11.324 -4.193 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.866 -10.068 -2.810 1.00 0.00 H new ATOM 972 N THR A 63 -13.485 -9.135 -9.264 1.00 0.00 N ATOM 973 CA THR A 63 -12.242 -9.175 -10.031 1.00 0.00 C ATOM 974 C THR A 63 -11.973 -7.839 -10.734 1.00 0.00 C ATOM 975 O THR A 63 -10.890 -7.273 -10.579 1.00 0.00 O ATOM 976 CB THR A 63 -12.238 -10.322 -11.064 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.514 -11.568 -10.413 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.896 -10.405 -11.777 1.00 0.00 C ATOM 0 H THR A 63 -14.272 -9.610 -9.705 1.00 0.00 H new ATOM 0 HA THR A 63 -11.442 -9.360 -9.314 1.00 0.00 H new ATOM 0 HB THR A 63 -13.013 -10.118 -11.803 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.511 -12.291 -11.075 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.918 -11.221 -12.500 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.701 -9.466 -12.295 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.107 -10.588 -11.047 1.00 0.00 H new ATOM 986 N PRO A 64 -12.941 -7.303 -11.517 1.00 0.00 N ATOM 987 CA PRO A 64 -12.759 -6.020 -12.203 1.00 0.00 C ATOM 988 C PRO A 64 -12.528 -4.874 -11.222 1.00 0.00 C ATOM 989 O PRO A 64 -11.694 -4.000 -11.461 1.00 0.00 O ATOM 990 CB PRO A 64 -14.075 -5.815 -12.964 1.00 0.00 C ATOM 991 CG PRO A 64 -14.677 -7.173 -13.065 1.00 0.00 C ATOM 992 CD PRO A 64 -14.255 -7.899 -11.820 1.00 0.00 C ATOM 0 HA PRO A 64 -11.883 -6.030 -12.851 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.735 -5.129 -12.433 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.898 -5.387 -13.951 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.763 -7.115 -13.135 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.327 -7.691 -13.958 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.964 -7.749 -11.006 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.182 -8.974 -11.985 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.271 -4.883 -10.114 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.133 -3.841 -9.100 1.00 0.00 C ATOM 1002 C ILE A 65 -11.729 -3.848 -8.498 1.00 0.00 C ATOM 1003 O ILE A 65 -11.073 -2.807 -8.415 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.171 -4.004 -7.968 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.593 -3.891 -8.527 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.939 -2.961 -6.883 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.673 -4.199 -7.510 1.00 0.00 C ATOM 0 H ILE A 65 -13.969 -5.595 -9.898 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.309 -2.889 -9.600 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.052 -4.994 -7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.744 -2.882 -8.910 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.697 -4.572 -9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.678 -3.088 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.939 -3.084 -6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.034 -1.963 -7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.652 -4.099 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.548 -5.218 -7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.596 -3.502 -6.675 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.274 -5.027 -8.082 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.948 -5.172 -7.487 1.00 0.00 C ATOM 1021 C PHE A 66 -8.865 -4.643 -8.422 1.00 0.00 C ATOM 1022 O PHE A 66 -7.915 -3.994 -7.983 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.675 -6.639 -7.149 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.310 -6.883 -6.571 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.001 -6.465 -5.286 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.335 -7.532 -7.312 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.747 -6.691 -4.751 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.079 -7.760 -6.782 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.784 -7.339 -5.501 1.00 0.00 C ATOM 0 H PHE A 66 -11.804 -5.896 -8.146 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.926 -4.584 -6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.427 -6.985 -6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.789 -7.238 -8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.749 -5.957 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.559 -7.863 -8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.520 -6.362 -3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.329 -8.267 -7.370 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.803 -7.516 -5.086 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.013 -4.924 -9.714 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.047 -4.474 -10.709 1.00 0.00 C ATOM 1041 C ASN A 67 -7.994 -2.950 -10.761 1.00 0.00 C ATOM 1042 O ASN A 67 -6.929 -2.362 -10.955 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.400 -5.033 -12.089 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.070 -6.509 -12.228 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.770 -6.986 -13.322 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.121 -7.243 -11.121 1.00 0.00 N ATOM 0 H ASN A 67 -9.792 -5.461 -10.095 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.064 -4.846 -10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.464 -4.884 -12.275 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.861 -4.471 -12.852 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.907 -8.240 -11.160 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.374 -6.810 -10.233 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.150 -2.317 -10.589 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.236 -0.861 -10.610 1.00 0.00 C ATOM 1055 C GLU A 68 -8.445 -0.259 -9.452 1.00 0.00 C ATOM 1056 O GLU A 68 -7.830 0.798 -9.586 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.698 -0.416 -10.529 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.880 1.092 -10.566 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.474 1.697 -11.896 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -11.285 1.643 -12.843 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -9.345 2.222 -11.990 1.00 0.00 O ATOM 0 H GLU A 68 -10.040 -2.790 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.807 -0.506 -11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.250 -0.860 -11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.136 -0.804 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.924 1.333 -10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.289 1.545 -9.770 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.473 -0.945 -8.313 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.766 -0.493 -7.119 1.00 0.00 C ATOM 1070 C TYR A 69 -6.253 -0.600 -7.303 1.00 0.00 C ATOM 1071 O TYR A 69 -5.498 0.270 -6.864 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.203 -1.330 -5.916 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.615 -0.874 -4.601 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.199 0.160 -3.881 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.481 -1.481 -4.076 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.670 0.577 -2.674 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.945 -1.070 -2.871 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.543 -0.041 -2.174 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.013 0.372 -0.973 1.00 0.00 O ATOM 0 H TYR A 69 -8.981 -1.821 -8.192 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.015 0.554 -6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.290 -1.303 -5.844 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.920 -2.369 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.081 0.646 -4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.011 -2.288 -4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.136 1.382 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.062 -1.552 -2.477 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.222 -0.166 -0.762 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.820 -1.673 -7.954 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.402 -1.908 -8.196 1.00 0.00 C ATOM 1091 C ILE A 70 -3.859 -0.981 -9.280 1.00 0.00 C ATOM 1092 O ILE A 70 -2.681 -0.627 -9.276 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.149 -3.375 -8.600 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.647 -4.321 -7.501 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.671 -3.608 -8.883 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.923 -4.160 -6.180 1.00 0.00 C ATOM 0 H ILE A 70 -6.434 -2.398 -8.325 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.878 -1.697 -7.264 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.705 -3.584 -9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.712 -4.151 -7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.535 -5.350 -7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.514 -4.649 -9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.350 -2.958 -9.697 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.090 -3.384 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.331 -4.863 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.861 -4.359 -6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.056 -3.142 -5.814 1.00 0.00 H new ATOM 1108 N SER A 71 -4.721 -0.592 -10.210 1.00 0.00 N ATOM 1109 CA SER A 71 -4.315 0.287 -11.298 1.00 0.00 C ATOM 1110 C SER A 71 -4.358 1.754 -10.876 1.00 0.00 C ATOM 1111 O SER A 71 -3.587 2.574 -11.372 1.00 0.00 O ATOM 1112 CB SER A 71 -5.216 0.071 -12.515 1.00 0.00 C ATOM 1113 OG SER A 71 -4.823 0.898 -13.596 1.00 0.00 O ATOM 0 H SER A 71 -5.702 -0.870 -10.233 1.00 0.00 H new ATOM 0 HA SER A 71 -3.286 0.039 -11.559 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.175 -0.975 -12.820 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.251 0.285 -12.247 1.00 0.00 H new ATOM 0 HG SER A 71 -5.414 0.739 -14.361 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.276 2.085 -9.975 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.422 3.459 -9.506 1.00 0.00 C ATOM 1121 C LEU A 72 -4.563 3.750 -8.270 1.00 0.00 C ATOM 1122 O LEU A 72 -3.663 4.590 -8.311 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.899 3.747 -9.204 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.266 5.215 -8.935 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.911 5.615 -7.511 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.583 6.141 -9.934 1.00 0.00 C ATOM 0 H LEU A 72 -5.929 1.423 -9.555 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.070 4.117 -10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.495 3.394 -10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.192 3.157 -8.336 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.344 5.314 -9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.181 6.658 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.457 4.985 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.840 5.489 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.860 7.174 -9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.502 6.031 -9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.898 5.882 -10.945 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.842 3.042 -7.179 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.134 3.254 -5.917 1.00 0.00 C ATOM 1140 C VAL A 73 -2.699 2.730 -5.931 1.00 0.00 C ATOM 1141 O VAL A 73 -1.755 3.501 -5.755 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.891 2.605 -4.744 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.185 2.884 -3.424 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.328 3.103 -4.703 1.00 0.00 C ATOM 0 H VAL A 73 -5.555 2.314 -7.142 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.091 4.335 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.904 1.526 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.738 2.416 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.175 2.476 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.136 3.960 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.851 2.636 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.334 4.185 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.829 2.845 -5.636 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.534 1.424 -6.131 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.201 0.820 -6.134 1.00 0.00 C ATOM 1156 C GLU A 74 -0.257 1.552 -7.083 1.00 0.00 C ATOM 1157 O GLU A 74 0.919 1.754 -6.768 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.279 -0.660 -6.512 1.00 0.00 C ATOM 1159 CG GLU A 74 0.060 -1.378 -6.433 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.042 -2.846 -6.797 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.442 -3.647 -5.926 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.279 -3.194 -7.953 1.00 0.00 O ATOM 0 H GLU A 74 -3.298 0.768 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.801 0.908 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.989 -1.158 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.670 -0.748 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.769 -0.890 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.459 -1.285 -5.423 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.772 1.955 -8.240 1.00 0.00 N ATOM 1170 CA LYS A 75 0.040 2.663 -9.222 1.00 0.00 C ATOM 1171 C LYS A 75 0.453 4.035 -8.701 1.00 0.00 C ATOM 1172 O LYS A 75 1.589 4.461 -8.900 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.713 2.807 -10.543 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.811 1.509 -11.332 1.00 0.00 C ATOM 1175 CD LYS A 75 0.550 1.062 -11.843 1.00 0.00 C ATOM 1176 CE LYS A 75 0.457 -0.256 -12.598 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.043 -1.358 -11.733 1.00 0.00 N ATOM 0 H LYS A 75 -1.741 1.805 -8.519 1.00 0.00 H new ATOM 0 HA LYS A 75 0.941 2.075 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.718 3.176 -10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.215 3.558 -11.156 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.237 0.730 -10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.490 1.644 -12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.964 1.829 -12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.237 0.954 -11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.207 -0.137 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.439 -0.520 -12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.129 -2.271 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.455 -1.336 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.064 -1.238 -11.573 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.471 4.728 -8.039 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.178 6.049 -7.491 1.00 0.00 C ATOM 1193 C TYR A 76 1.050 6.000 -6.584 1.00 0.00 C ATOM 1194 O TYR A 76 1.927 6.860 -6.661 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.381 6.590 -6.713 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.132 7.939 -6.074 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -0.548 8.037 -4.817 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.477 9.115 -6.729 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -0.313 9.265 -4.231 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.247 10.348 -6.150 1.00 0.00 C ATOM 1201 CZ TYR A 76 -0.664 10.418 -4.901 1.00 0.00 C ATOM 1202 OH TYR A 76 -0.431 11.643 -4.321 1.00 0.00 O ATOM 0 H TYR A 76 -1.422 4.399 -7.870 1.00 0.00 H new ATOM 0 HA TYR A 76 0.031 6.719 -8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.234 6.669 -7.387 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.653 5.874 -5.937 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.273 7.136 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.932 9.064 -7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.143 9.322 -3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.522 11.253 -6.672 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.735 12.353 -4.924 1.00 0.00 H new ATOM 1212 N ILE A 77 1.103 4.987 -5.722 1.00 0.00 N ATOM 1213 CA ILE A 77 2.216 4.826 -4.791 1.00 0.00 C ATOM 1214 C ILE A 77 3.543 4.653 -5.527 1.00 0.00 C ATOM 1215 O ILE A 77 4.495 5.398 -5.291 1.00 0.00 O ATOM 1216 CB ILE A 77 2.002 3.608 -3.864 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.734 3.788 -3.025 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.214 3.406 -2.963 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.382 2.575 -2.188 1.00 0.00 C ATOM 0 H ILE A 77 0.387 4.265 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 77 2.253 5.736 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 77 1.881 2.720 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.863 4.648 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.101 4.016 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.047 2.544 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.099 3.234 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.365 4.295 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.527 2.776 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.221 1.717 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.199 2.358 -1.500 1.00 0.00 H new ATOM 1231 N GLU A 78 3.597 3.667 -6.415 1.00 0.00 N ATOM 1232 CA GLU A 78 4.814 3.377 -7.170 1.00 0.00 C ATOM 1233 C GLU A 78 5.265 4.566 -8.019 1.00 0.00 C ATOM 1234 O GLU A 78 6.421 4.973 -7.959 1.00 0.00 O ATOM 1235 CB GLU A 78 4.596 2.157 -8.067 1.00 0.00 C ATOM 1236 CG GLU A 78 5.826 1.766 -8.872 1.00 0.00 C ATOM 1237 CD GLU A 78 5.579 0.569 -9.768 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.772 -0.573 -9.300 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.193 0.773 -10.938 1.00 0.00 O ATOM 0 H GLU A 78 2.812 3.053 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 78 5.602 3.170 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.292 1.312 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.774 2.363 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.141 2.613 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.646 1.542 -8.190 1.00 0.00 H new ATOM 1246 N GLU A 79 4.348 5.118 -8.803 1.00 0.00 N ATOM 1247 CA GLU A 79 4.661 6.242 -9.682 1.00 0.00 C ATOM 1248 C GLU A 79 5.309 7.409 -8.935 1.00 0.00 C ATOM 1249 O GLU A 79 6.426 7.817 -9.257 1.00 0.00 O ATOM 1250 CB GLU A 79 3.394 6.726 -10.391 1.00 0.00 C ATOM 1251 CG GLU A 79 2.842 5.734 -11.404 1.00 0.00 C ATOM 1252 CD GLU A 79 3.791 5.490 -12.560 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.655 4.596 -12.441 1.00 0.00 O ATOM 1254 OE2 GLU A 79 3.671 6.195 -13.585 1.00 0.00 O ATOM 0 H GLU A 79 3.378 4.806 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 79 5.383 5.880 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.627 6.934 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.609 7.667 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.634 4.788 -10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.893 6.106 -11.790 1.00 0.00 H new ATOM 1261 N GLN A 80 4.613 7.935 -7.931 1.00 0.00 N ATOM 1262 CA GLN A 80 5.116 9.074 -7.166 1.00 0.00 C ATOM 1263 C GLN A 80 6.426 8.750 -6.445 1.00 0.00 C ATOM 1264 O GLN A 80 7.232 9.644 -6.189 1.00 0.00 O ATOM 1265 CB GLN A 80 4.055 9.564 -6.173 1.00 0.00 C ATOM 1266 CG GLN A 80 3.918 8.714 -4.919 1.00 0.00 C ATOM 1267 CD GLN A 80 4.846 9.164 -3.806 1.00 0.00 C ATOM 1268 OE1 GLN A 80 5.964 8.670 -3.673 1.00 0.00 O ATOM 1269 NE2 GLN A 80 4.386 10.116 -3.003 1.00 0.00 N ATOM 0 H GLN A 80 3.701 7.592 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 80 5.330 9.874 -7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.296 10.585 -5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.091 9.598 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.887 8.756 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.129 7.673 -5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.452 10.499 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.967 10.465 -2.240 1.00 0.00 H new ATOM 1278 N LEU A 81 6.639 7.478 -6.119 1.00 0.00 N ATOM 1279 CA LEU A 81 7.857 7.067 -5.425 1.00 0.00 C ATOM 1280 C LEU A 81 9.035 6.990 -6.389 1.00 0.00 C ATOM 1281 O LEU A 81 10.156 7.381 -6.060 1.00 0.00 O ATOM 1282 CB LEU A 81 7.658 5.706 -4.750 1.00 0.00 C ATOM 1283 CG LEU A 81 6.889 5.737 -3.426 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.561 4.324 -2.970 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.693 6.465 -2.359 1.00 0.00 C ATOM 0 H LEU A 81 5.989 6.718 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 81 8.075 7.817 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.130 5.050 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.637 5.261 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 81 5.955 6.277 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.015 4.363 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.948 3.831 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.485 3.763 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.131 6.477 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.642 5.951 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.883 7.489 -2.682 1.00 0.00 H new ATOM 1297 N LEU A 82 8.763 6.491 -7.585 1.00 0.00 N ATOM 1298 CA LEU A 82 9.788 6.332 -8.605 1.00 0.00 C ATOM 1299 C LEU A 82 10.258 7.682 -9.133 1.00 0.00 C ATOM 1300 O LEU A 82 11.365 7.797 -9.662 1.00 0.00 O ATOM 1301 CB LEU A 82 9.260 5.458 -9.748 1.00 0.00 C ATOM 1302 CG LEU A 82 8.992 3.978 -9.406 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.956 3.077 -10.161 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.101 3.708 -7.909 1.00 0.00 C ATOM 0 H LEU A 82 7.833 6.187 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 82 10.648 5.839 -8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.333 5.898 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.978 5.496 -10.568 1.00 0.00 H new ATOM 0 HG LEU A 82 7.969 3.757 -9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.754 2.036 -9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.826 3.223 -11.233 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.980 3.326 -9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.905 2.654 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.105 3.960 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.372 4.317 -7.375 1.00 0.00 H new ATOM 1316 N GLN A 83 9.413 8.701 -8.993 1.00 0.00 N ATOM 1317 CA GLN A 83 9.759 10.043 -9.446 1.00 0.00 C ATOM 1318 C GLN A 83 11.100 10.478 -8.861 1.00 0.00 C ATOM 1319 O GLN A 83 11.774 11.353 -9.406 1.00 0.00 O ATOM 1320 CB GLN A 83 8.672 11.044 -9.047 1.00 0.00 C ATOM 1321 CG GLN A 83 7.359 10.848 -9.788 1.00 0.00 C ATOM 1322 CD GLN A 83 6.358 11.954 -9.507 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.149 11.725 -9.503 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.858 13.164 -9.278 1.00 0.00 N ATOM 0 H GLN A 83 8.488 8.622 -8.571 1.00 0.00 H new ATOM 0 HA GLN A 83 9.837 10.022 -10.533 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.490 10.961 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.036 12.055 -9.232 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.554 10.804 -10.859 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.925 9.890 -9.503 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.867 13.309 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.232 13.947 -9.089 1.00 0.00 H new ATOM 1333 N ARG A 84 11.481 9.857 -7.745 1.00 0.00 N ATOM 1334 CA ARG A 84 12.743 10.173 -7.087 1.00 0.00 C ATOM 1335 C ARG A 84 13.661 8.955 -7.059 1.00 0.00 C ATOM 1336 O ARG A 84 14.882 9.086 -6.972 1.00 0.00 O ATOM 1337 CB ARG A 84 12.489 10.664 -5.661 1.00 0.00 C ATOM 1338 CG ARG A 84 11.537 11.847 -5.583 1.00 0.00 C ATOM 1339 CD ARG A 84 11.481 12.425 -4.179 1.00 0.00 C ATOM 1340 NE ARG A 84 12.767 12.977 -3.763 1.00 0.00 N ATOM 1341 CZ ARG A 84 12.985 13.524 -2.570 1.00 0.00 C ATOM 1342 NH1 ARG A 84 12.008 13.586 -1.676 1.00 0.00 N ATOM 1343 NH2 ARG A 84 14.183 14.008 -2.270 1.00 0.00 N ATOM 0 H ARG A 84 10.933 9.133 -7.280 1.00 0.00 H new ATOM 0 HA ARG A 84 13.233 10.964 -7.656 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.083 9.843 -5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.440 10.944 -5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.856 12.619 -6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.539 11.533 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.721 13.206 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.177 11.647 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 84 13.542 12.941 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.086 13.214 -1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.179 14.006 -0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.938 13.961 -2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.349 14.427 -1.355 1.00 0.00 H new ATOM 1357 N ILE A 85 13.061 7.770 -7.134 1.00 0.00 N ATOM 1358 CA ILE A 85 13.819 6.524 -7.116 1.00 0.00 C ATOM 1359 C ILE A 85 13.461 5.650 -8.318 1.00 0.00 C ATOM 1360 O ILE A 85 12.654 4.727 -8.201 1.00 0.00 O ATOM 1361 CB ILE A 85 13.557 5.727 -5.820 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.644 6.649 -4.598 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.548 4.579 -5.696 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.156 6.007 -3.315 1.00 0.00 C ATOM 0 H ILE A 85 12.051 7.647 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 85 14.875 6.791 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 85 12.551 5.311 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.679 6.965 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.058 7.548 -4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.351 4.026 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.441 3.912 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.563 4.976 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.248 6.719 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.112 5.716 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.757 5.124 -3.098 1.00 0.00 H new ATOM 1376 N PRO A 86 14.049 5.934 -9.498 1.00 0.00 N ATOM 1377 CA PRO A 86 13.780 5.167 -10.719 1.00 0.00 C ATOM 1378 C PRO A 86 14.340 3.750 -10.653 1.00 0.00 C ATOM 1379 O PRO A 86 14.071 2.925 -11.525 1.00 0.00 O ATOM 1380 CB PRO A 86 14.479 5.970 -11.827 1.00 0.00 C ATOM 1381 CG PRO A 86 14.836 7.283 -11.210 1.00 0.00 C ATOM 1382 CD PRO A 86 15.007 7.021 -9.743 1.00 0.00 C ATOM 0 HA PRO A 86 12.710 5.043 -10.884 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.368 5.451 -12.185 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.822 6.107 -12.686 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.753 7.681 -11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.054 8.021 -11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.027 6.724 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.781 7.903 -9.144 1.00 0.00 H new ATOM 1390 N GLU A 87 15.115 3.477 -9.611 1.00 0.00 N ATOM 1391 CA GLU A 87 15.710 2.157 -9.424 1.00 0.00 C ATOM 1392 C GLU A 87 14.926 1.356 -8.391 1.00 0.00 C ATOM 1393 O GLU A 87 15.354 0.283 -7.963 1.00 0.00 O ATOM 1394 CB GLU A 87 17.170 2.285 -8.981 1.00 0.00 C ATOM 1395 CG GLU A 87 18.081 2.891 -10.036 1.00 0.00 C ATOM 1396 CD GLU A 87 17.788 4.357 -10.291 1.00 0.00 C ATOM 1397 OE1 GLU A 87 18.063 5.182 -9.394 1.00 0.00 O ATOM 1398 OE2 GLU A 87 17.282 4.680 -11.385 1.00 0.00 O ATOM 0 H GLU A 87 15.347 4.151 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 87 15.674 1.631 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.214 2.898 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.546 1.298 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 87 19.119 2.782 -9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.971 2.336 -10.967 1.00 0.00 H new ATOM 1405 N PHE A 88 13.773 1.885 -7.998 1.00 0.00 N ATOM 1406 CA PHE A 88 12.921 1.233 -7.011 1.00 0.00 C ATOM 1407 C PHE A 88 12.345 -0.070 -7.557 1.00 0.00 C ATOM 1408 O PHE A 88 12.086 -0.194 -8.753 1.00 0.00 O ATOM 1409 CB PHE A 88 11.780 2.166 -6.607 1.00 0.00 C ATOM 1410 CG PHE A 88 11.071 1.747 -5.352 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.642 1.973 -4.110 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.831 1.131 -5.414 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.990 1.594 -2.953 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.175 0.748 -4.260 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.755 0.980 -3.028 1.00 0.00 C ATOM 0 H PHE A 88 13.405 2.769 -8.350 1.00 0.00 H new ATOM 0 HA PHE A 88 13.532 1.002 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.177 3.172 -6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.058 2.216 -7.422 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.608 2.451 -4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.373 0.948 -6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.445 1.777 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.210 0.268 -4.321 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.244 0.682 -2.125 1.00 0.00 H new ATOM 1425 N ASN A 89 12.145 -1.038 -6.668 1.00 0.00 N ATOM 1426 CA ASN A 89 11.586 -2.329 -7.052 1.00 0.00 C ATOM 1427 C ASN A 89 10.508 -2.752 -6.059 1.00 0.00 C ATOM 1428 O ASN A 89 10.808 -3.298 -4.998 1.00 0.00 O ATOM 1429 CB ASN A 89 12.687 -3.392 -7.120 1.00 0.00 C ATOM 1430 CG ASN A 89 12.186 -4.710 -7.680 1.00 0.00 C ATOM 1431 OD1 ASN A 89 12.655 -5.780 -7.290 1.00 0.00 O ATOM 1432 ND2 ASN A 89 11.234 -4.640 -8.604 1.00 0.00 N ATOM 0 H ASN A 89 12.362 -0.952 -5.675 1.00 0.00 H new ATOM 0 HA ASN A 89 11.137 -2.231 -8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.505 -3.025 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.092 -3.555 -6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.863 -5.494 -9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.874 -3.732 -8.898 1.00 0.00 H new ATOM 1439 N MET A 90 9.253 -2.483 -6.408 1.00 0.00 N ATOM 1440 CA MET A 90 8.124 -2.822 -5.546 1.00 0.00 C ATOM 1441 C MET A 90 8.083 -4.316 -5.238 1.00 0.00 C ATOM 1442 O MET A 90 7.606 -4.725 -4.180 1.00 0.00 O ATOM 1443 CB MET A 90 6.809 -2.394 -6.204 1.00 0.00 C ATOM 1444 CG MET A 90 6.066 -1.313 -5.437 1.00 0.00 C ATOM 1445 SD MET A 90 5.568 -1.843 -3.787 1.00 0.00 S ATOM 1446 CE MET A 90 4.653 -0.407 -3.232 1.00 0.00 C ATOM 0 H MET A 90 8.992 -2.030 -7.284 1.00 0.00 H new ATOM 0 HA MET A 90 8.253 -2.285 -4.606 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.017 -2.034 -7.212 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.162 -3.266 -6.304 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.701 -0.431 -5.354 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.181 -1.017 -6.001 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.279 -0.581 -2.223 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.308 0.464 -3.231 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.814 -0.228 -3.904 1.00 0.00 H new ATOM 1456 N ALA A 91 8.582 -5.125 -6.165 1.00 0.00 N ATOM 1457 CA ALA A 91 8.591 -6.574 -5.988 1.00 0.00 C ATOM 1458 C ALA A 91 9.480 -6.990 -4.819 1.00 0.00 C ATOM 1459 O ALA A 91 9.022 -7.635 -3.876 1.00 0.00 O ATOM 1460 CB ALA A 91 9.050 -7.256 -7.268 1.00 0.00 C ATOM 0 H ALA A 91 8.985 -4.804 -7.045 1.00 0.00 H new ATOM 0 HA ALA A 91 7.573 -6.889 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.053 -8.336 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.370 -7.000 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.057 -6.921 -7.518 1.00 0.00 H new ATOM 1466 N ALA A 92 10.753 -6.612 -4.888 1.00 0.00 N ATOM 1467 CA ALA A 92 11.711 -6.955 -3.841 1.00 0.00 C ATOM 1468 C ALA A 92 11.442 -6.178 -2.557 1.00 0.00 C ATOM 1469 O ALA A 92 11.732 -6.658 -1.461 1.00 0.00 O ATOM 1470 CB ALA A 92 13.129 -6.693 -4.326 1.00 0.00 C ATOM 0 H ALA A 92 11.145 -6.069 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 92 11.596 -8.015 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.837 -6.952 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.330 -7.301 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.238 -5.638 -4.579 1.00 0.00 H new ATOM 1476 N PHE A 93 10.889 -4.979 -2.695 1.00 0.00 N ATOM 1477 CA PHE A 93 10.592 -4.138 -1.541 1.00 0.00 C ATOM 1478 C PHE A 93 9.501 -4.760 -0.675 1.00 0.00 C ATOM 1479 O PHE A 93 9.623 -4.804 0.549 1.00 0.00 O ATOM 1480 CB PHE A 93 10.164 -2.740 -1.994 1.00 0.00 C ATOM 1481 CG PHE A 93 10.012 -1.762 -0.863 1.00 0.00 C ATOM 1482 CD1 PHE A 93 11.128 -1.212 -0.253 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.755 -1.391 -0.412 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.994 -0.310 0.785 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.614 -0.490 0.626 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.735 0.052 1.226 1.00 0.00 C ATOM 0 H PHE A 93 10.637 -4.567 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 93 11.501 -4.056 -0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.900 -2.355 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.217 -2.814 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.114 -1.492 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.876 -1.811 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.872 0.112 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.629 -0.210 0.968 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.627 0.757 2.037 1.00 0.00 H new ATOM 1496 N THR A 94 8.439 -5.241 -1.314 1.00 0.00 N ATOM 1497 CA THR A 94 7.326 -5.855 -0.595 1.00 0.00 C ATOM 1498 C THR A 94 7.749 -7.149 0.091 1.00 0.00 C ATOM 1499 O THR A 94 7.491 -7.341 1.280 1.00 0.00 O ATOM 1500 CB THR A 94 6.140 -6.148 -1.533 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.590 -6.875 -2.684 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.463 -4.858 -1.970 1.00 0.00 C ATOM 0 H THR A 94 8.325 -5.218 -2.327 1.00 0.00 H new ATOM 0 HA THR A 94 7.013 -5.136 0.162 1.00 0.00 H new ATOM 0 HB THR A 94 5.415 -6.751 -0.987 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.956 -6.249 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.629 -5.091 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.093 -4.326 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.181 -4.231 -2.499 1.00 0.00 H new ATOM 1510 N THR A 95 8.397 -8.035 -0.661 1.00 0.00 N ATOM 1511 CA THR A 95 8.850 -9.313 -0.119 1.00 0.00 C ATOM 1512 C THR A 95 9.744 -9.106 1.100 1.00 0.00 C ATOM 1513 O THR A 95 9.641 -9.834 2.088 1.00 0.00 O ATOM 1514 CB THR A 95 9.618 -10.134 -1.172 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.814 -10.301 -2.346 1.00 0.00 O ATOM 1516 CG2 THR A 95 10.004 -11.499 -0.621 1.00 0.00 C ATOM 0 H THR A 95 8.620 -7.892 -1.646 1.00 0.00 H new ATOM 0 HA THR A 95 7.957 -9.864 0.176 1.00 0.00 H new ATOM 0 HB THR A 95 10.528 -9.591 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.838 -9.479 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.545 -12.059 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.640 -11.371 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.104 -12.046 -0.339 1.00 0.00 H new ATOM 1524 N THR A 96 10.617 -8.107 1.023 1.00 0.00 N ATOM 1525 CA THR A 96 11.532 -7.798 2.116 1.00 0.00 C ATOM 1526 C THR A 96 10.809 -7.071 3.246 1.00 0.00 C ATOM 1527 O THR A 96 11.181 -7.191 4.412 1.00 0.00 O ATOM 1528 CB THR A 96 12.709 -6.931 1.630 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.361 -7.568 0.524 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.714 -6.700 2.749 1.00 0.00 C ATOM 0 H THR A 96 10.710 -7.496 0.212 1.00 0.00 H new ATOM 0 HA THR A 96 11.919 -8.747 2.488 1.00 0.00 H new ATOM 0 HB THR A 96 12.313 -5.966 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.961 -7.257 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.535 -6.085 2.380 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.224 -6.191 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.104 -7.659 3.091 1.00 0.00 H new ATOM 1538 N LEU A 97 9.772 -6.320 2.891 1.00 0.00 N ATOM 1539 CA LEU A 97 8.997 -5.569 3.873 1.00 0.00 C ATOM 1540 C LEU A 97 8.272 -6.514 4.825 1.00 0.00 C ATOM 1541 O LEU A 97 8.283 -6.311 6.039 1.00 0.00 O ATOM 1542 CB LEU A 97 7.990 -4.654 3.166 1.00 0.00 C ATOM 1543 CG LEU A 97 7.464 -3.482 4.001 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.831 -2.433 3.102 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.457 -3.963 5.036 1.00 0.00 C ATOM 0 H LEU A 97 9.448 -6.215 1.930 1.00 0.00 H new ATOM 0 HA LEU A 97 9.684 -4.955 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.458 -4.255 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.141 -5.257 2.844 1.00 0.00 H new ATOM 0 HG LEU A 97 8.308 -3.033 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.462 -1.607 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.575 -2.061 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.001 -2.878 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.098 -3.113 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.616 -4.439 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.935 -4.681 5.702 1.00 0.00 H new ATOM 1557 N GLN A 98 7.643 -7.544 4.266 1.00 0.00 N ATOM 1558 CA GLN A 98 6.909 -8.518 5.068 1.00 0.00 C ATOM 1559 C GLN A 98 7.790 -9.085 6.174 1.00 0.00 C ATOM 1560 O GLN A 98 7.323 -9.344 7.283 1.00 0.00 O ATOM 1561 CB GLN A 98 6.386 -9.648 4.179 1.00 0.00 C ATOM 1562 CG GLN A 98 5.393 -9.179 3.128 1.00 0.00 C ATOM 1563 CD GLN A 98 4.963 -10.290 2.189 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.724 -11.219 1.917 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.737 -10.198 1.685 1.00 0.00 N ATOM 0 H GLN A 98 7.627 -7.726 3.262 1.00 0.00 H new ATOM 0 HA GLN A 98 6.063 -8.010 5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.229 -10.130 3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.911 -10.403 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.514 -8.767 3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.839 -8.371 2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.140 -9.411 1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.393 -10.915 1.046 1.00 0.00 H new ATOM 1574 N HIS A 99 9.067 -9.275 5.864 1.00 0.00 N ATOM 1575 CA HIS A 99 10.019 -9.801 6.832 1.00 0.00 C ATOM 1576 C HIS A 99 10.444 -8.706 7.806 1.00 0.00 C ATOM 1577 O HIS A 99 10.504 -8.920 9.018 1.00 0.00 O ATOM 1578 CB HIS A 99 11.240 -10.376 6.107 1.00 0.00 C ATOM 1579 CG HIS A 99 12.384 -10.708 7.013 1.00 0.00 C ATOM 1580 ND1 HIS A 99 12.305 -11.653 8.014 1.00 0.00 N ATOM 1581 CD2 HIS A 99 13.642 -10.211 7.066 1.00 0.00 C ATOM 1582 CE1 HIS A 99 13.465 -11.723 8.643 1.00 0.00 C ATOM 1583 NE2 HIS A 99 14.292 -10.858 8.087 1.00 0.00 N ATOM 0 H HIS A 99 9.467 -9.072 4.948 1.00 0.00 H new ATOM 0 HA HIS A 99 9.540 -10.599 7.399 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.941 -11.277 5.571 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.578 -9.658 5.360 1.00 0.00 H new ATOM 0 HD2 HIS A 99 14.057 -9.448 6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.697 -12.377 9.471 1.00 0.00 H new ATOM 0 HE2 HIS A 99 15.258 -10.696 8.370 1.00 0.00 H new ATOM 1592 N HIS A 100 10.716 -7.522 7.265 1.00 0.00 N ATOM 1593 CA HIS A 100 11.137 -6.389 8.078 1.00 0.00 C ATOM 1594 C HIS A 100 9.977 -5.863 8.912 1.00 0.00 C ATOM 1595 O HIS A 100 10.152 -4.985 9.755 1.00 0.00 O ATOM 1596 CB HIS A 100 11.693 -5.273 7.190 1.00 0.00 C ATOM 1597 CG HIS A 100 13.062 -5.559 6.653 1.00 0.00 C ATOM 1598 ND1 HIS A 100 14.035 -4.592 6.522 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.619 -6.712 6.210 1.00 0.00 C ATOM 1600 CE1 HIS A 100 15.131 -5.136 6.024 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.905 -6.421 5.827 1.00 0.00 N ATOM 0 H HIS A 100 10.652 -7.324 6.267 1.00 0.00 H new ATOM 0 HA HIS A 100 11.923 -6.728 8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.011 -5.111 6.355 1.00 0.00 H new ATOM 0 HB3 HIS A 100 11.723 -4.346 7.762 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.141 -7.679 6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 100 16.055 -4.617 5.814 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.577 -7.090 5.451 1.00 0.00 H new ATOM 1610 N LYS A 101 8.790 -6.409 8.668 1.00 0.00 N ATOM 1611 CA LYS A 101 7.598 -6.000 9.395 1.00 0.00 C ATOM 1612 C LYS A 101 7.734 -6.333 10.878 1.00 0.00 C ATOM 1613 O LYS A 101 6.967 -5.845 11.708 1.00 0.00 O ATOM 1614 CB LYS A 101 6.360 -6.686 8.813 1.00 0.00 C ATOM 1615 CG LYS A 101 5.049 -6.091 9.302 1.00 0.00 C ATOM 1616 CD LYS A 101 3.851 -6.789 8.677 1.00 0.00 C ATOM 1617 CE LYS A 101 3.687 -8.206 9.206 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.380 -8.222 10.662 1.00 0.00 N ATOM 0 H LYS A 101 8.630 -7.136 7.971 1.00 0.00 H new ATOM 0 HA LYS A 101 7.485 -4.921 9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.396 -6.621 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.387 -7.745 9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.994 -6.173 10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.018 -5.028 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.947 -6.216 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.970 -6.816 7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.887 -8.707 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.601 -8.771 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.997 -9.152 10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.250 -8.040 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.678 -7.485 10.877 1.00 0.00 H new ATOM 1632 N ASP A 102 8.719 -7.169 11.202 1.00 0.00 N ATOM 1633 CA ASP A 102 8.961 -7.563 12.585 1.00 0.00 C ATOM 1634 C ASP A 102 9.389 -6.361 13.424 1.00 0.00 C ATOM 1635 O ASP A 102 9.354 -6.406 14.655 1.00 0.00 O ATOM 1636 CB ASP A 102 10.036 -8.652 12.648 1.00 0.00 C ATOM 1637 CG ASP A 102 10.222 -9.203 14.048 1.00 0.00 C ATOM 1638 OD1 ASP A 102 11.053 -8.649 14.798 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.539 -10.189 14.394 1.00 0.00 O ATOM 0 H ASP A 102 9.360 -7.585 10.526 1.00 0.00 H new ATOM 0 HA ASP A 102 8.030 -7.958 12.993 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.765 -9.465 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.983 -8.245 12.292 1.00 0.00 H new ATOM 1644 N GLU A 103 9.791 -5.286 12.749 1.00 0.00 N ATOM 1645 CA GLU A 103 10.227 -4.071 13.430 1.00 0.00 C ATOM 1646 C GLU A 103 9.430 -2.861 12.950 1.00 0.00 C ATOM 1647 O GLU A 103 9.110 -1.966 13.733 1.00 0.00 O ATOM 1648 CB GLU A 103 11.720 -3.838 13.190 1.00 0.00 C ATOM 1649 CG GLU A 103 12.284 -2.655 13.958 1.00 0.00 C ATOM 1650 CD GLU A 103 13.767 -2.453 13.712 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.578 -3.079 14.427 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.117 -1.668 12.806 1.00 0.00 O ATOM 0 H GLU A 103 9.823 -5.233 11.731 1.00 0.00 H new ATOM 0 HA GLU A 103 10.051 -4.199 14.498 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.269 -4.737 13.470 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.888 -3.682 12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.746 -1.751 13.672 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.113 -2.804 15.024 1.00 0.00 H new ATOM 1659 N VAL A 104 9.113 -2.841 11.659 1.00 0.00 N ATOM 1660 CA VAL A 104 8.356 -1.741 11.070 1.00 0.00 C ATOM 1661 C VAL A 104 6.966 -1.642 11.690 1.00 0.00 C ATOM 1662 O VAL A 104 6.379 -2.649 12.085 1.00 0.00 O ATOM 1663 CB VAL A 104 8.220 -1.910 9.544 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.425 -0.761 8.939 1.00 0.00 C ATOM 1665 CG2 VAL A 104 9.592 -2.012 8.896 1.00 0.00 C ATOM 0 H VAL A 104 9.369 -3.576 10.999 1.00 0.00 H new ATOM 0 HA VAL A 104 8.908 -0.824 11.277 1.00 0.00 H new ATOM 0 HB VAL A 104 7.677 -2.835 9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.343 -0.903 7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.428 -0.737 9.379 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.934 0.181 9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.478 -2.131 7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.160 -1.105 9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 104 10.123 -2.873 9.302 1.00 0.00 H new ATOM 1675 N ALA A 105 6.446 -0.419 11.775 1.00 0.00 N ATOM 1676 CA ALA A 105 5.126 -0.191 12.347 1.00 0.00 C ATOM 1677 C ALA A 105 4.063 -0.983 11.596 1.00 0.00 C ATOM 1678 O ALA A 105 3.705 -0.648 10.465 1.00 0.00 O ATOM 1679 CB ALA A 105 4.791 1.293 12.330 1.00 0.00 C ATOM 0 H ALA A 105 6.920 0.426 11.455 1.00 0.00 H new ATOM 0 HA ALA A 105 5.139 -0.536 13.381 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.802 1.448 12.761 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.531 1.840 12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.800 1.656 11.302 1.00 0.00 H new ATOM 1685 N GLY A 106 3.563 -2.037 12.231 1.00 0.00 N ATOM 1686 CA GLY A 106 2.545 -2.863 11.612 1.00 0.00 C ATOM 1687 C GLY A 106 1.264 -2.098 11.355 1.00 0.00 C ATOM 1688 O GLY A 106 0.537 -2.391 10.407 1.00 0.00 O ATOM 0 H GLY A 106 3.845 -2.334 13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.925 -3.259 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.333 -3.717 12.255 1.00 0.00 H new ATOM 1692 N ASP A 107 0.990 -1.116 12.207 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.212 -0.300 12.084 1.00 0.00 C ATOM 1694 C ASP A 107 -0.238 0.470 10.765 1.00 0.00 C ATOM 1695 O ASP A 107 -1.289 0.601 10.138 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.306 0.678 13.255 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.505 1.598 13.144 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.600 1.205 13.600 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.351 2.711 12.600 1.00 0.00 O ATOM 0 H ASP A 107 1.588 -0.865 12.994 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.070 -0.972 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.366 0.118 14.188 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.604 1.276 13.300 1.00 0.00 H new ATOM 1704 N ILE A 108 0.918 0.981 10.349 1.00 0.00 N ATOM 1705 CA ILE A 108 1.006 1.747 9.108 1.00 0.00 C ATOM 1706 C ILE A 108 0.919 0.844 7.883 1.00 0.00 C ATOM 1707 O ILE A 108 0.131 1.099 6.971 1.00 0.00 O ATOM 1708 CB ILE A 108 2.319 2.557 9.038 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.403 3.541 10.205 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.427 3.288 7.706 1.00 0.00 C ATOM 1711 CD1 ILE A 108 1.328 4.602 10.180 1.00 0.00 C ATOM 0 H ILE A 108 1.801 0.880 10.849 1.00 0.00 H new ATOM 0 HA ILE A 108 0.158 2.432 9.107 1.00 0.00 H new ATOM 0 HB ILE A 108 3.157 1.864 9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.334 2.988 11.142 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.380 4.025 10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.359 3.853 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.415 2.564 6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.585 3.971 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.450 5.264 11.037 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.409 5.181 9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.348 4.128 10.225 1.00 0.00 H new ATOM 1723 N PHE A 109 1.720 -0.214 7.868 1.00 0.00 N ATOM 1724 CA PHE A 109 1.726 -1.142 6.743 1.00 0.00 C ATOM 1725 C PHE A 109 0.395 -1.870 6.619 1.00 0.00 C ATOM 1726 O PHE A 109 0.005 -2.266 5.524 1.00 0.00 O ATOM 1727 CB PHE A 109 2.865 -2.156 6.857 1.00 0.00 C ATOM 1728 CG PHE A 109 2.913 -3.109 5.693 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.939 -2.630 4.392 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.918 -4.479 5.898 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.969 -3.497 3.315 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.946 -5.353 4.826 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.972 -4.862 3.534 1.00 0.00 C ATOM 0 H PHE A 109 2.371 -0.451 8.617 1.00 0.00 H new ATOM 0 HA PHE A 109 1.883 -0.547 5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.814 -1.624 6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.750 -2.723 7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.936 -1.564 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.900 -4.869 6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.990 -3.109 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.948 -6.419 4.999 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.995 -5.544 2.697 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.296 -2.045 7.743 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.582 -2.742 7.752 1.00 0.00 C ATOM 1745 C ASP A 110 -2.493 -2.215 6.649 1.00 0.00 C ATOM 1746 O ASP A 110 -3.344 -2.943 6.135 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.265 -2.579 9.111 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.625 -3.246 9.159 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.683 -4.456 9.464 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.633 -2.559 8.890 1.00 0.00 O ATOM 0 H ASP A 110 0.011 -1.715 8.658 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.394 -3.800 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.628 -3.003 9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.376 -1.518 9.334 1.00 0.00 H new ATOM 1755 N MET A 111 -2.308 -0.951 6.286 1.00 0.00 N ATOM 1756 CA MET A 111 -3.101 -0.341 5.227 1.00 0.00 C ATOM 1757 C MET A 111 -2.675 -0.901 3.875 1.00 0.00 C ATOM 1758 O MET A 111 -3.500 -1.380 3.095 1.00 0.00 O ATOM 1759 CB MET A 111 -2.939 1.182 5.253 1.00 0.00 C ATOM 1760 CG MET A 111 -3.637 1.896 4.106 1.00 0.00 C ATOM 1761 SD MET A 111 -2.593 2.052 2.643 1.00 0.00 S ATOM 1762 CE MET A 111 -1.263 3.071 3.280 1.00 0.00 C ATOM 0 H MET A 111 -1.617 -0.330 6.709 1.00 0.00 H new ATOM 0 HA MET A 111 -4.153 -0.576 5.389 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.330 1.563 6.197 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.877 1.425 5.227 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.544 1.352 3.843 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.945 2.889 4.435 1.00 0.00 H new ATOM 0 HE1 MET A 111 -0.611 3.373 2.460 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.680 3.958 3.757 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.687 2.503 4.011 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.373 -0.850 3.614 1.00 0.00 N ATOM 1773 CA LEU A 112 -0.813 -1.354 2.366 1.00 0.00 C ATOM 1774 C LEU A 112 -0.977 -2.866 2.271 1.00 0.00 C ATOM 1775 O LEU A 112 -0.970 -3.433 1.182 1.00 0.00 O ATOM 1776 CB LEU A 112 0.668 -0.985 2.258 1.00 0.00 C ATOM 1777 CG LEU A 112 0.967 0.515 2.204 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.457 0.765 2.367 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.470 1.109 0.896 1.00 0.00 C ATOM 0 H LEU A 112 -0.682 -0.462 4.256 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.356 -0.892 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.195 -1.413 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.077 -1.453 1.363 1.00 0.00 H new ATOM 0 HG LEU A 112 0.442 1.002 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.653 1.837 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.789 0.372 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.000 0.266 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.691 2.176 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.969 0.618 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.607 0.959 0.814 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.126 -3.509 3.426 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.280 -4.958 3.489 1.00 0.00 C ATOM 1793 C LEU A 113 -2.371 -5.434 2.534 1.00 0.00 C ATOM 1794 O LEU A 113 -2.339 -6.570 2.061 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.602 -5.396 4.920 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.544 -6.905 5.166 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.138 -7.438 4.933 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.009 -7.233 6.575 1.00 0.00 C ATOM 0 H LEU A 113 -1.143 -3.046 4.335 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.338 -5.413 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.904 -4.906 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.600 -5.040 5.177 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.215 -7.391 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.122 -8.513 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.161 -7.239 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.556 -6.945 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.961 -8.311 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.364 -6.732 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.036 -6.892 6.708 1.00 0.00 H new ATOM 1810 N THR A 114 -3.336 -4.560 2.259 1.00 0.00 N ATOM 1811 CA THR A 114 -4.437 -4.887 1.357 1.00 0.00 C ATOM 1812 C THR A 114 -3.935 -5.276 -0.036 1.00 0.00 C ATOM 1813 O THR A 114 -4.728 -5.641 -0.906 1.00 0.00 O ATOM 1814 CB THR A 114 -5.419 -3.708 1.220 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.749 -2.572 0.659 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.009 -3.336 2.572 1.00 0.00 C ATOM 0 H THR A 114 -3.378 -3.618 2.649 1.00 0.00 H new ATOM 0 HA THR A 114 -4.952 -5.740 1.799 1.00 0.00 H new ATOM 0 HB THR A 114 -6.229 -4.015 0.558 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.262 -2.098 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.699 -2.501 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.544 -4.192 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.207 -3.048 3.252 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.621 -5.196 -0.247 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.029 -5.547 -1.536 1.00 0.00 C ATOM 1826 C PHE A 115 -2.224 -7.030 -1.841 1.00 0.00 C ATOM 1827 O PHE A 115 -2.225 -7.439 -3.001 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.530 -5.217 -1.558 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.212 -3.764 -1.800 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.902 -3.035 -2.757 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.788 -3.130 -1.074 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.605 -1.704 -2.982 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.089 -1.801 -1.298 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.392 -1.087 -2.252 1.00 0.00 C ATOM 0 H PHE A 115 -1.948 -4.892 0.457 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.536 -4.957 -2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.091 -5.518 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.051 -5.814 -2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.680 -3.513 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.337 -3.683 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.152 -1.147 -3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.870 -1.320 -0.727 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.626 -0.047 -2.427 1.00 0.00 H new ATOM 1844 N THR A 116 -2.387 -7.832 -0.791 1.00 0.00 N ATOM 1845 CA THR A 116 -2.574 -9.269 -0.955 1.00 0.00 C ATOM 1846 C THR A 116 -3.610 -9.813 0.024 1.00 0.00 C ATOM 1847 O THR A 116 -4.254 -10.828 -0.244 1.00 0.00 O ATOM 1848 CB THR A 116 -1.251 -10.032 -0.760 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.479 -11.442 -0.865 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.634 -9.711 0.594 1.00 0.00 C ATOM 0 H THR A 116 -2.393 -7.512 0.177 1.00 0.00 H new ATOM 0 HA THR A 116 -2.931 -9.423 -1.973 1.00 0.00 H new ATOM 0 HB THR A 116 -0.558 -9.717 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.633 -11.920 -0.741 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.300 -10.262 0.708 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.434 -8.641 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.325 -10.000 1.386 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.765 -9.137 1.157 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.724 -9.563 2.171 1.00 0.00 C ATOM 1860 C ASP A 117 -6.132 -9.099 1.811 1.00 0.00 C ATOM 1861 O ASP A 117 -6.639 -8.125 2.369 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.326 -9.019 3.544 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.922 -9.827 4.681 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -6.105 -9.605 5.010 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -4.204 -10.681 5.242 1.00 0.00 O ATOM 0 H ASP A 117 -3.241 -8.295 1.396 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.718 -10.652 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.240 -9.020 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.651 -7.982 3.629 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.758 -9.803 0.871 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.106 -9.464 0.427 1.00 0.00 C ATOM 1872 C PHE A 118 -9.088 -9.504 1.595 1.00 0.00 C ATOM 1873 O PHE A 118 -10.099 -8.801 1.591 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.560 -10.426 -0.673 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.873 -10.049 -1.299 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -9.936 -9.048 -2.255 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.043 -10.694 -0.932 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.141 -8.698 -2.834 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.252 -10.348 -1.506 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.301 -9.349 -2.459 1.00 0.00 C ATOM 0 H PHE A 118 -6.352 -10.613 0.402 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.088 -8.450 0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.795 -10.464 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.641 -11.430 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.033 -8.535 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.010 -11.477 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.176 -7.917 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.157 -10.858 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.244 -9.077 -2.910 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.782 -10.329 2.591 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.636 -10.459 3.767 1.00 0.00 C ATOM 1892 C LEU A 119 -9.728 -9.135 4.520 1.00 0.00 C ATOM 1893 O LEU A 119 -10.804 -8.739 4.967 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.104 -11.554 4.697 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.375 -12.995 4.247 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.869 -13.245 4.106 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.658 -13.297 2.939 1.00 0.00 C ATOM 0 H LEU A 119 -7.949 -10.918 2.608 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.635 -10.736 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.027 -11.423 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.543 -11.412 5.684 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.986 -13.666 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.037 -14.273 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.358 -13.079 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.284 -12.562 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.865 -14.324 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.011 -12.615 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.584 -13.168 3.074 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.593 -8.456 4.655 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.546 -7.176 5.353 1.00 0.00 C ATOM 1911 C ALA A 120 -9.141 -6.071 4.492 1.00 0.00 C ATOM 1912 O ALA A 120 -9.648 -5.073 5.004 1.00 0.00 O ATOM 1913 CB ALA A 120 -7.115 -6.837 5.741 1.00 0.00 C ATOM 0 H ALA A 120 -7.694 -8.771 4.290 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.142 -7.258 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.096 -5.879 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.722 -7.614 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.500 -6.775 4.843 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.072 -6.258 3.179 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.606 -5.288 2.231 1.00 0.00 C ATOM 1921 C PHE A 121 -11.123 -5.172 2.383 1.00 0.00 C ATOM 1922 O PHE A 121 -11.662 -4.079 2.577 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.246 -5.712 0.804 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.404 -4.627 -0.223 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.862 -3.368 -0.018 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.090 -4.872 -1.402 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.001 -2.374 -0.968 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.231 -3.883 -2.357 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.687 -2.633 -2.139 1.00 0.00 C ATOM 0 H PHE A 121 -8.649 -7.078 2.745 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.166 -4.312 2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.213 -6.061 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.872 -6.558 0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.324 -3.161 0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.520 -5.847 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.574 -1.397 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.766 -4.088 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.798 -1.858 -2.883 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.801 -6.313 2.301 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.253 -6.352 2.433 1.00 0.00 C ATOM 1941 C LYS A 122 -13.681 -5.843 3.805 1.00 0.00 C ATOM 1942 O LYS A 122 -14.533 -4.961 3.912 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.766 -7.779 2.222 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.283 -7.890 2.216 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.737 -9.338 2.128 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.252 -9.445 2.056 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.793 -8.833 0.811 1.00 0.00 N ATOM 0 H LYS A 122 -11.368 -7.223 2.144 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.684 -5.703 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.379 -8.158 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.367 -8.419 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.685 -7.436 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.686 -7.330 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.296 -9.805 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.373 -9.888 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.544 -10.494 2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.692 -8.953 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.782 -9.128 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.748 -7.797 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.228 -9.146 -0.004 1.00 0.00 H new ATOM 1961 N GLU A 123 -13.079 -6.402 4.852 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.394 -6.008 6.218 1.00 0.00 C ATOM 1963 C GLU A 123 -13.160 -4.516 6.425 1.00 0.00 C ATOM 1964 O GLU A 123 -13.823 -3.884 7.248 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.546 -6.812 7.203 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.879 -8.294 7.227 1.00 0.00 C ATOM 1967 CD GLU A 123 -14.284 -8.568 7.728 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -15.222 -8.553 6.903 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -14.444 -8.797 8.945 1.00 0.00 O ATOM 0 H GLU A 123 -12.369 -7.131 4.778 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.449 -6.216 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.494 -6.689 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -12.681 -6.402 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.769 -8.704 6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.163 -8.813 7.863 1.00 0.00 H new ATOM 1976 N MET A 124 -12.216 -3.958 5.674 1.00 0.00 N ATOM 1977 CA MET A 124 -11.904 -2.537 5.774 1.00 0.00 C ATOM 1978 C MET A 124 -13.102 -1.695 5.352 1.00 0.00 C ATOM 1979 O MET A 124 -13.479 -0.746 6.039 1.00 0.00 O ATOM 1980 CB MET A 124 -10.690 -2.193 4.908 1.00 0.00 C ATOM 1981 CG MET A 124 -10.290 -0.727 4.970 1.00 0.00 C ATOM 1982 SD MET A 124 -8.915 -0.336 3.870 1.00 0.00 S ATOM 1983 CE MET A 124 -9.626 -0.747 2.278 1.00 0.00 C ATOM 0 H MET A 124 -11.655 -4.467 4.991 1.00 0.00 H new ATOM 0 HA MET A 124 -11.668 -2.312 6.814 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.845 -2.805 5.224 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.906 -2.458 3.873 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.148 -0.109 4.707 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.015 -0.472 5.994 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.995 -0.349 1.484 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.694 -1.830 2.179 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.623 -0.312 2.202 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.696 -2.046 4.215 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.856 -1.321 3.707 1.00 0.00 C ATOM 1995 C PHE A 125 -16.040 -1.438 4.662 1.00 0.00 C ATOM 1996 O PHE A 125 -16.734 -0.456 4.926 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.249 -1.838 2.325 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.254 -1.490 1.258 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.045 -0.170 0.894 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.530 -2.482 0.620 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.130 0.155 -0.087 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.614 -2.163 -0.362 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.412 -0.844 -0.716 1.00 0.00 C ATOM 0 H PHE A 125 -13.394 -2.825 3.630 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.581 -0.269 3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.362 -2.921 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.221 -1.427 2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.604 0.614 1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.683 -3.516 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.976 1.188 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.055 -2.946 -0.854 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.694 -0.593 -1.483 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.269 -2.644 5.173 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.370 -2.885 6.100 1.00 0.00 C ATOM 2015 C LEU A 126 -17.211 -2.045 7.365 1.00 0.00 C ATOM 2016 O LEU A 126 -18.198 -1.651 7.987 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.448 -4.370 6.463 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.234 -5.246 5.481 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.636 -5.172 4.084 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.267 -6.686 5.971 1.00 0.00 C ATOM 0 H LEU A 126 -15.708 -3.469 4.961 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.297 -2.593 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.434 -4.761 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.902 -4.462 7.450 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.255 -4.869 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.213 -5.803 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.663 -4.141 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.603 -5.519 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.828 -7.298 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.249 -7.066 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.748 -6.727 6.948 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.964 -1.774 7.737 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.677 -0.977 8.924 1.00 0.00 C ATOM 2034 C ASP A 127 -15.943 0.502 8.657 1.00 0.00 C ATOM 2035 O ASP A 127 -16.601 1.178 9.448 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.225 -1.180 9.362 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.896 -0.434 10.641 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.498 0.747 10.555 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.039 -1.031 11.729 1.00 0.00 O ATOM 0 H ASP A 127 -15.137 -2.094 7.234 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.337 -1.308 9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.038 -2.244 9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.559 -0.844 8.567 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.426 0.996 7.535 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.615 2.391 7.157 1.00 0.00 C ATOM 2046 C TYR A 128 -17.098 2.701 6.984 1.00 0.00 C ATOM 2047 O TYR A 128 -17.551 3.810 7.269 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.857 2.699 5.861 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.990 4.135 5.405 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.284 5.152 6.035 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.826 4.474 4.348 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.405 6.465 5.623 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.952 5.786 3.931 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.240 6.777 4.571 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.364 8.084 4.160 1.00 0.00 O ATOM 0 H TYR A 128 -14.874 0.451 6.873 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.218 3.020 7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.801 2.469 6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.222 2.041 5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.630 4.912 6.860 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.386 3.700 3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.848 7.244 6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.605 6.033 3.107 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.990 8.132 3.407 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.847 1.708 6.514 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.282 1.858 6.301 1.00 0.00 C ATOM 2067 C ARG A 129 -20.020 1.957 7.632 1.00 0.00 C ATOM 2068 O ARG A 129 -20.918 2.783 7.793 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.821 0.677 5.492 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.301 0.784 5.162 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.788 -0.439 4.404 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.194 -0.326 4.024 1.00 0.00 N ATOM 2073 CZ ARG A 129 -23.819 -1.201 3.244 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.166 -2.253 2.766 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.098 -1.026 2.942 1.00 0.00 N ATOM 0 H ARG A 129 -17.481 0.787 6.273 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.450 2.780 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.256 0.597 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.648 -0.243 6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.874 0.896 6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.479 1.679 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.181 -0.576 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.650 -1.326 5.022 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.726 0.469 4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.182 -2.391 2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.648 -2.924 2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.603 -0.219 3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.577 -1.698 2.343 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.637 1.108 8.582 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.261 1.105 9.900 1.00 0.00 C ATOM 2091 C ALA A 130 -20.100 2.459 10.576 1.00 0.00 C ATOM 2092 O ALA A 130 -20.970 2.899 11.328 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.665 0.006 10.766 1.00 0.00 C ATOM 0 H ALA A 130 -18.898 0.415 8.463 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.326 0.910 9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.141 0.017 11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.832 -0.961 10.292 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.594 0.174 10.881 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.977 3.117 10.303 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.701 4.427 10.879 1.00 0.00 C ATOM 2101 C GLU A 131 -19.647 5.478 10.307 1.00 0.00 C ATOM 2102 O GLU A 131 -20.037 6.419 10.999 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.249 4.832 10.610 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.862 6.159 11.242 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.420 6.540 10.968 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.536 6.116 11.741 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.176 7.263 9.979 1.00 0.00 O ATOM 0 H GLU A 131 -18.245 2.764 9.687 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.859 4.365 11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.587 4.052 10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.090 4.892 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.519 6.942 10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.020 6.104 12.319 1.00 0.00 H new