USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 1.66 K(o=1.3,f=-8.6!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.363 USER MOD Set 2.1: A 65 SER OG : rot -35:sc= 0.234 USER MOD Set 2.2: A 99 MET CE :methyl 165:sc= -0.194 (180deg=-0.62) USER MOD Single : A 7 SER OG : rot 31:sc= 0.115 USER MOD Single : A 8 MET CE :methyl 173:sc= -0.338 (180deg=-0.442) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.036 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.62 F(o=-2.1,f=-0.62) USER MOD Single : A 43 THR OG1 : rot 75:sc= 0.489 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-6.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 94:sc= 0.666 USER MOD Single : A 55 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=-0.027) USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= -0.0306 (180deg=-0.187) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0792) USER MOD Single : A 64 SER OG : rot 100:sc= 0.839 USER MOD Single : A 66 TYR OH : rot 17:sc= 0.654 USER MOD Single : A 69 GLN : amide:sc= 0.439 K(o=0.44,f=-4.9!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0827 USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.418) USER MOD Single : A 93 SER OG : rot -175:sc= 0.0636 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.331 -6.962 -4.348 1.00 0.00 N ATOM 70 CA SER A 7 -16.037 -6.381 -4.478 1.00 0.00 C ATOM 71 C SER A 7 -15.859 -5.347 -3.364 1.00 0.00 C ATOM 72 O SER A 7 -16.843 -4.759 -2.903 1.00 0.00 O ATOM 73 CB SER A 7 -15.904 -5.779 -5.863 1.00 0.00 C ATOM 74 OG SER A 7 -16.361 -6.706 -6.854 1.00 0.00 O ATOM 0 HA SER A 7 -15.248 -7.126 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.483 -4.857 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.864 -5.515 -6.054 1.00 0.00 H new ATOM 0 HG SER A 7 -17.076 -7.261 -6.478 1.00 0.00 H new ATOM 80 N MET A 8 -14.643 -5.137 -2.935 1.00 0.00 N ATOM 81 CA MET A 8 -14.385 -4.314 -1.789 1.00 0.00 C ATOM 82 C MET A 8 -13.388 -3.272 -2.072 1.00 0.00 C ATOM 83 O MET A 8 -12.438 -3.515 -2.790 1.00 0.00 O ATOM 84 CB MET A 8 -13.839 -5.129 -0.662 1.00 0.00 C ATOM 85 CG MET A 8 -14.459 -6.434 -0.385 1.00 0.00 C ATOM 86 SD MET A 8 -16.106 -6.411 0.252 1.00 0.00 S ATOM 87 CE MET A 8 -16.213 -8.165 0.549 1.00 0.00 C ATOM 0 H MET A 8 -13.808 -5.531 -3.369 1.00 0.00 H new ATOM 0 HA MET A 8 -15.341 -3.860 -1.527 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.780 -5.298 -0.856 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.905 -4.529 0.246 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.459 -7.013 -1.308 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.827 -6.967 0.325 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.140 -8.389 1.077 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.200 -8.697 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.364 -8.484 1.154 1.00 0.00 H new ATOM 97 N LYS A 9 -13.588 -2.120 -1.528 1.00 0.00 N ATOM 98 CA LYS A 9 -12.630 -1.067 -1.638 1.00 0.00 C ATOM 99 C LYS A 9 -11.821 -1.054 -0.339 1.00 0.00 C ATOM 100 O LYS A 9 -12.249 -0.533 0.677 1.00 0.00 O ATOM 101 CB LYS A 9 -13.330 0.257 -1.908 1.00 0.00 C ATOM 102 CG LYS A 9 -12.443 1.377 -2.334 1.00 0.00 C ATOM 103 CD LYS A 9 -13.270 2.610 -2.551 1.00 0.00 C ATOM 104 CE LYS A 9 -12.542 3.616 -3.382 1.00 0.00 C ATOM 105 NZ LYS A 9 -13.334 4.846 -3.554 1.00 0.00 N ATOM 0 H LYS A 9 -14.422 -1.879 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.954 -1.225 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.083 0.099 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.859 0.559 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.684 1.564 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.918 1.111 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.206 2.341 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.529 3.050 -1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.589 3.858 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.315 3.188 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.801 5.524 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.232 4.617 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.529 5.267 -2.623 1.00 0.00 H new ATOM 119 N ILE A 10 -10.680 -1.679 -0.403 1.00 0.00 N ATOM 120 CA ILE A 10 -9.844 -1.938 0.726 1.00 0.00 C ATOM 121 C ILE A 10 -8.590 -1.092 0.683 1.00 0.00 C ATOM 122 O ILE A 10 -8.006 -0.914 -0.384 1.00 0.00 O ATOM 123 CB ILE A 10 -9.460 -3.424 0.667 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.708 -4.273 0.838 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.385 -3.786 1.673 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.517 -5.705 0.493 1.00 0.00 C ATOM 0 H ILE A 10 -10.295 -2.034 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.374 -1.694 1.647 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.025 -3.628 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.045 -4.201 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.502 -3.863 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.151 -4.847 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.488 -3.200 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.742 -3.572 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.453 -6.243 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.211 -5.790 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.747 -6.134 1.134 1.00 0.00 H new ATOM 138 N ARG A 11 -8.190 -0.569 1.830 1.00 0.00 N ATOM 139 CA ARG A 11 -6.943 0.116 1.962 1.00 0.00 C ATOM 140 C ARG A 11 -5.817 -0.826 1.844 1.00 0.00 C ATOM 141 O ARG A 11 -5.805 -1.886 2.459 1.00 0.00 O ATOM 142 CB ARG A 11 -6.834 0.795 3.324 1.00 0.00 C ATOM 143 CG ARG A 11 -7.505 2.141 3.353 1.00 0.00 C ATOM 144 CD ARG A 11 -7.301 2.830 4.678 1.00 0.00 C ATOM 145 NE ARG A 11 -8.098 4.053 4.770 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.299 4.768 5.883 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.730 4.413 7.033 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.071 5.837 5.846 1.00 0.00 N ATOM 0 H ARG A 11 -8.733 -0.615 2.692 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.902 0.860 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.282 0.153 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.782 0.911 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.107 2.765 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.572 2.021 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.574 2.154 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.246 3.071 4.806 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.538 4.389 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.133 3.587 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.891 4.967 7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.513 6.117 4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.226 6.384 6.693 1.00 0.00 H new ATOM 162 N VAL A 12 -4.909 -0.485 1.049 1.00 0.00 N ATOM 163 CA VAL A 12 -3.773 -1.259 0.852 1.00 0.00 C ATOM 164 C VAL A 12 -2.576 -0.474 1.298 1.00 0.00 C ATOM 165 O VAL A 12 -2.416 0.660 0.820 1.00 0.00 O ATOM 166 CB VAL A 12 -3.606 -1.499 -0.682 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.418 -2.396 -0.941 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.861 -2.137 -1.249 1.00 0.00 C ATOM 0 H VAL A 12 -4.933 0.371 0.495 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.861 -2.197 1.401 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.441 -0.538 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.311 -2.557 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.515 -1.925 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.570 -3.354 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.734 -2.300 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.039 -3.092 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.712 -1.477 -1.081 1.00 0.00 H new ATOM 178 N GLU A 13 -1.760 -0.979 2.215 1.00 0.00 N ATOM 179 CA GLU A 13 -0.527 -0.284 2.429 1.00 0.00 C ATOM 180 C GLU A 13 0.453 -0.773 1.412 1.00 0.00 C ATOM 181 O GLU A 13 0.463 -1.937 1.097 1.00 0.00 O ATOM 182 CB GLU A 13 0.219 -0.392 3.770 1.00 0.00 C ATOM 183 CG GLU A 13 -0.455 0.347 4.911 1.00 0.00 C ATOM 184 CD GLU A 13 0.423 0.453 6.136 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.342 1.284 6.138 1.00 0.00 O ATOM 186 OE2 GLU A 13 0.191 -0.256 7.130 1.00 0.00 O ATOM 0 H GLU A 13 -1.923 -1.811 2.781 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.855 0.754 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.314 -1.444 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.229 -0.003 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.730 1.348 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.380 -0.166 5.175 1.00 0.00 H new ATOM 193 N LEU A 14 1.262 0.080 0.908 1.00 0.00 N ATOM 194 CA LEU A 14 2.277 -0.339 -0.047 1.00 0.00 C ATOM 195 C LEU A 14 3.676 -0.141 0.491 1.00 0.00 C ATOM 196 O LEU A 14 3.994 0.918 1.024 1.00 0.00 O ATOM 197 CB LEU A 14 2.059 0.415 -1.386 1.00 0.00 C ATOM 198 CG LEU A 14 3.111 0.334 -2.540 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.269 1.299 -2.352 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.607 -1.079 -2.764 1.00 0.00 C ATOM 0 H LEU A 14 1.261 1.077 1.125 1.00 0.00 H new ATOM 0 HA LEU A 14 2.174 -1.410 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.110 0.069 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.935 1.470 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 14 2.584 0.645 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.966 1.197 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.890 2.320 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.783 1.073 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.335 -1.085 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.076 -1.449 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.767 -1.722 -3.026 1.00 0.00 H new ATOM 212 N ILE A 15 4.504 -1.173 0.391 1.00 0.00 N ATOM 213 CA ILE A 15 5.925 -0.983 0.620 1.00 0.00 C ATOM 214 C ILE A 15 6.652 -1.268 -0.693 1.00 0.00 C ATOM 215 O ILE A 15 6.497 -2.355 -1.282 1.00 0.00 O ATOM 216 CB ILE A 15 6.662 -1.858 1.733 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.162 -1.511 3.155 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.188 -1.725 1.674 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.694 -1.775 3.397 1.00 0.00 C ATOM 0 H ILE A 15 4.224 -2.126 0.159 1.00 0.00 H new ATOM 0 HA ILE A 15 5.974 0.038 0.997 1.00 0.00 H new ATOM 0 HB ILE A 15 6.408 -2.895 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.743 -2.084 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.363 -0.457 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.637 -2.341 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.545 -2.056 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.469 -0.683 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.439 -1.501 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.098 -1.182 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.484 -2.833 3.242 1.00 0.00 H new ATOM 483 N PRO A 33 2.591 4.695 1.776 1.00 0.00 N ATOM 484 CA PRO A 33 1.603 4.983 0.712 1.00 0.00 C ATOM 485 C PRO A 33 0.444 3.983 0.808 1.00 0.00 C ATOM 486 O PRO A 33 0.658 2.794 1.082 1.00 0.00 O ATOM 487 CB PRO A 33 2.462 4.734 -0.555 1.00 0.00 C ATOM 488 CG PRO A 33 3.602 3.924 -0.104 1.00 0.00 C ATOM 489 CD PRO A 33 3.930 4.462 1.206 1.00 0.00 C ATOM 0 HA PRO A 33 1.146 5.972 0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.889 4.212 -1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.797 5.674 -0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.341 2.867 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.445 4.007 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.513 3.760 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.511 5.381 1.137 1.00 0.00 H new ATOM 497 N SER A 34 -0.762 4.444 0.653 1.00 0.00 N ATOM 498 CA SER A 34 -1.903 3.572 0.751 1.00 0.00 C ATOM 499 C SER A 34 -2.957 3.998 -0.252 1.00 0.00 C ATOM 500 O SER A 34 -2.925 5.133 -0.745 1.00 0.00 O ATOM 501 CB SER A 34 -2.476 3.572 2.184 1.00 0.00 C ATOM 502 OG SER A 34 -1.463 3.264 3.146 1.00 0.00 O ATOM 0 H SER A 34 -0.985 5.420 0.458 1.00 0.00 H new ATOM 0 HA SER A 34 -1.589 2.554 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.907 4.548 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.283 2.843 2.256 1.00 0.00 H new ATOM 0 HG SER A 34 -1.853 3.272 4.045 1.00 0.00 H new ATOM 508 N VAL A 35 -3.849 3.098 -0.571 1.00 0.00 N ATOM 509 CA VAL A 35 -4.923 3.353 -1.496 1.00 0.00 C ATOM 510 C VAL A 35 -6.082 2.478 -1.142 1.00 0.00 C ATOM 511 O VAL A 35 -5.891 1.409 -0.599 1.00 0.00 O ATOM 512 CB VAL A 35 -4.500 3.091 -2.993 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.028 1.673 -3.215 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.618 3.383 -3.972 1.00 0.00 C ATOM 0 H VAL A 35 -3.850 2.152 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.193 4.406 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.676 3.780 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.748 1.542 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.165 1.473 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.830 0.979 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.273 3.186 -4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.473 2.745 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.913 4.429 -3.886 1.00 0.00 H new ATOM 524 N SER A 36 -7.251 2.930 -1.419 1.00 0.00 N ATOM 525 CA SER A 36 -8.389 2.143 -1.251 1.00 0.00 C ATOM 526 C SER A 36 -8.701 1.560 -2.637 1.00 0.00 C ATOM 527 O SER A 36 -9.140 2.267 -3.549 1.00 0.00 O ATOM 528 CB SER A 36 -9.486 2.971 -0.709 1.00 0.00 C ATOM 529 OG SER A 36 -9.024 3.782 0.367 1.00 0.00 O ATOM 0 H SER A 36 -7.433 3.869 -1.772 1.00 0.00 H new ATOM 0 HA SER A 36 -8.248 1.332 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.894 3.603 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.296 2.329 -0.364 1.00 0.00 H new ATOM 0 HG SER A 36 -9.765 4.323 0.710 1.00 0.00 H new ATOM 535 N HIS A 37 -8.434 0.298 -2.787 1.00 0.00 N ATOM 536 CA HIS A 37 -8.479 -0.358 -4.038 1.00 0.00 C ATOM 537 C HIS A 37 -9.654 -1.320 -4.082 1.00 0.00 C ATOM 538 O HIS A 37 -9.988 -1.934 -3.090 1.00 0.00 O ATOM 539 CB HIS A 37 -7.136 -1.087 -4.242 1.00 0.00 C ATOM 540 CG HIS A 37 -7.039 -1.897 -5.489 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.466 -3.126 -5.733 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.462 -1.459 -6.644 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.163 -3.427 -7.030 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.551 -2.392 -7.553 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.172 -0.313 -2.013 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.624 0.359 -4.846 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.336 -0.347 -4.245 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.962 -1.741 -3.388 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -7.938 -3.740 -5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.003 -0.492 -6.785 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.388 -4.354 -7.536 1.00 0.00 H new ATOM 553 N ILE A 38 -10.229 -1.438 -5.242 1.00 0.00 N ATOM 554 CA ILE A 38 -11.411 -2.274 -5.540 1.00 0.00 C ATOM 555 C ILE A 38 -10.839 -3.710 -5.781 1.00 0.00 C ATOM 556 O ILE A 38 -10.122 -3.961 -6.768 1.00 0.00 O ATOM 557 CB ILE A 38 -11.953 -1.780 -6.823 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.327 -0.275 -6.737 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.188 -2.626 -7.108 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.386 0.063 -5.692 1.00 0.00 C ATOM 0 H ILE A 38 -9.888 -0.939 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.171 -2.257 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.213 -1.866 -7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.425 0.297 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.683 0.053 -7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.637 -2.308 -8.049 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.902 -3.675 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.909 -2.500 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.581 1.135 -5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.306 -0.476 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.029 -0.228 -4.704 1.00 0.00 H new ATOM 572 N PHE A 39 -11.100 -4.577 -4.890 1.00 0.00 N ATOM 573 CA PHE A 39 -10.696 -5.928 -4.993 1.00 0.00 C ATOM 574 C PHE A 39 -11.910 -6.777 -5.200 1.00 0.00 C ATOM 575 O PHE A 39 -12.967 -6.497 -4.649 1.00 0.00 O ATOM 576 CB PHE A 39 -9.987 -6.383 -3.760 1.00 0.00 C ATOM 577 CG PHE A 39 -8.643 -5.807 -3.524 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.523 -6.387 -4.080 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.494 -4.722 -2.713 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.272 -5.889 -3.820 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.254 -4.207 -2.449 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.134 -4.797 -3.002 1.00 0.00 C ATOM 0 H PHE A 39 -11.618 -4.366 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.008 -6.020 -5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.614 -6.151 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.892 -7.468 -3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.632 -7.244 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.366 -4.262 -2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.401 -6.354 -4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.151 -3.342 -1.810 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.152 -4.399 -2.791 1.00 0.00 H new ATOM 592 N ASP A 40 -11.747 -7.790 -5.971 1.00 0.00 N ATOM 593 CA ASP A 40 -12.777 -8.707 -6.315 1.00 0.00 C ATOM 594 C ASP A 40 -12.154 -10.029 -6.616 1.00 0.00 C ATOM 595 O ASP A 40 -10.921 -10.133 -6.746 1.00 0.00 O ATOM 596 CB ASP A 40 -13.550 -8.234 -7.559 1.00 0.00 C ATOM 597 CG ASP A 40 -12.672 -8.009 -8.753 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.275 -8.973 -9.392 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.355 -6.850 -9.063 1.00 0.00 O ATOM 0 H ASP A 40 -10.850 -8.015 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.473 -8.779 -5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.309 -8.975 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.074 -7.308 -7.322 1.00 0.00 H new ATOM 604 N GLY A 41 -12.968 -11.012 -6.733 1.00 0.00 N ATOM 605 CA GLY A 41 -12.487 -12.332 -7.030 1.00 0.00 C ATOM 606 C GLY A 41 -12.673 -12.703 -8.466 1.00 0.00 C ATOM 607 O GLY A 41 -12.616 -13.881 -8.817 1.00 0.00 O ATOM 0 H GLY A 41 -13.980 -10.938 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.429 -12.394 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.008 -13.054 -6.402 1.00 0.00 H new ATOM 611 N GLU A 42 -12.881 -11.717 -9.294 1.00 0.00 N ATOM 612 CA GLU A 42 -13.162 -11.929 -10.659 1.00 0.00 C ATOM 613 C GLU A 42 -11.926 -11.594 -11.507 1.00 0.00 C ATOM 614 O GLU A 42 -11.701 -12.161 -12.570 1.00 0.00 O ATOM 615 CB GLU A 42 -14.361 -11.109 -11.019 1.00 0.00 C ATOM 616 CG GLU A 42 -15.607 -11.388 -10.189 1.00 0.00 C ATOM 617 CD GLU A 42 -16.258 -12.704 -10.503 1.00 0.00 C ATOM 618 OE1 GLU A 42 -15.823 -13.750 -9.993 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.242 -12.719 -11.264 1.00 0.00 O ATOM 0 H GLU A 42 -12.856 -10.735 -9.021 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.394 -12.975 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.104 -10.054 -10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.597 -11.280 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.341 -11.367 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.329 -10.587 -10.352 1.00 0.00 H new ATOM 626 N THR A 43 -11.151 -10.671 -11.014 1.00 0.00 N ATOM 627 CA THR A 43 -9.929 -10.275 -11.568 1.00 0.00 C ATOM 628 C THR A 43 -8.800 -10.999 -10.827 1.00 0.00 C ATOM 629 O THR A 43 -8.865 -11.139 -9.578 1.00 0.00 O ATOM 630 CB THR A 43 -9.785 -8.791 -11.312 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.939 -8.074 -11.781 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.518 -8.220 -11.890 1.00 0.00 C ATOM 0 H THR A 43 -11.387 -10.157 -10.165 1.00 0.00 H new ATOM 0 HA THR A 43 -9.887 -10.504 -12.633 1.00 0.00 H new ATOM 0 HB THR A 43 -9.716 -8.665 -10.232 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.686 -8.215 -11.162 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.469 -7.152 -11.675 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.658 -8.720 -11.445 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.509 -8.374 -12.969 1.00 0.00 H new ATOM 640 N ALA A 44 -7.812 -11.488 -11.572 1.00 0.00 N ATOM 641 CA ALA A 44 -6.631 -12.098 -11.006 1.00 0.00 C ATOM 642 C ALA A 44 -5.965 -11.156 -10.038 1.00 0.00 C ATOM 643 O ALA A 44 -6.030 -9.911 -10.184 1.00 0.00 O ATOM 644 CB ALA A 44 -5.640 -12.474 -12.088 1.00 0.00 C ATOM 0 H ALA A 44 -7.817 -11.468 -12.592 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.946 -13.001 -10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.761 -12.931 -11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.103 -13.182 -12.775 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.342 -11.580 -12.635 1.00 0.00 H new ATOM 650 N VAL A 45 -5.340 -11.734 -9.062 1.00 0.00 N ATOM 651 CA VAL A 45 -4.620 -11.008 -8.041 1.00 0.00 C ATOM 652 C VAL A 45 -3.589 -10.107 -8.675 1.00 0.00 C ATOM 653 O VAL A 45 -3.579 -8.907 -8.436 1.00 0.00 O ATOM 654 CB VAL A 45 -3.843 -11.944 -7.120 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.052 -11.125 -6.132 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.833 -12.810 -6.392 1.00 0.00 C ATOM 0 H VAL A 45 -5.310 -12.746 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.368 -10.449 -7.478 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.155 -12.565 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.495 -11.790 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.356 -10.480 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.732 -10.512 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.301 -13.489 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.506 -12.182 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.411 -13.388 -7.114 1.00 0.00 H new ATOM 666 N LYS A 46 -2.753 -10.704 -9.500 1.00 0.00 N ATOM 667 CA LYS A 46 -1.649 -10.003 -10.163 1.00 0.00 C ATOM 668 C LYS A 46 -2.141 -8.827 -10.986 1.00 0.00 C ATOM 669 O LYS A 46 -1.467 -7.832 -11.108 1.00 0.00 O ATOM 670 CB LYS A 46 -0.802 -10.948 -11.024 1.00 0.00 C ATOM 671 CG LYS A 46 -1.527 -11.584 -12.200 1.00 0.00 C ATOM 672 CD LYS A 46 -0.604 -12.528 -12.940 1.00 0.00 C ATOM 673 CE LYS A 46 -1.313 -13.202 -14.095 1.00 0.00 C ATOM 674 NZ LYS A 46 -0.412 -14.093 -14.848 1.00 0.00 N ATOM 0 H LYS A 46 -2.813 -11.694 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.010 -9.614 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.056 -10.394 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.412 -11.742 -10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.404 -12.126 -11.845 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.884 -10.809 -12.878 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.259 -11.977 -13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.227 -13.284 -12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.159 -13.776 -13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.717 -12.443 -14.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.935 -14.535 -15.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.382 -13.541 -15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.046 -14.832 -14.215 1.00 0.00 H new ATOM 688 N ASP A 47 -3.323 -8.934 -11.512 1.00 0.00 N ATOM 689 CA ASP A 47 -3.903 -7.864 -12.272 1.00 0.00 C ATOM 690 C ASP A 47 -4.352 -6.750 -11.369 1.00 0.00 C ATOM 691 O ASP A 47 -4.210 -5.582 -11.709 1.00 0.00 O ATOM 692 CB ASP A 47 -5.016 -8.351 -13.180 1.00 0.00 C ATOM 693 CG ASP A 47 -4.521 -8.949 -14.479 1.00 0.00 C ATOM 694 OD1 ASP A 47 -3.866 -10.012 -14.467 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.765 -8.339 -15.544 1.00 0.00 O ATOM 0 H ASP A 47 -3.913 -9.762 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.129 -7.463 -12.927 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.607 -9.097 -12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.682 -7.517 -13.404 1.00 0.00 H new ATOM 700 N HIS A 48 -4.863 -7.108 -10.196 1.00 0.00 N ATOM 701 CA HIS A 48 -5.184 -6.131 -9.159 1.00 0.00 C ATOM 702 C HIS A 48 -3.869 -5.444 -8.740 1.00 0.00 C ATOM 703 O HIS A 48 -3.826 -4.239 -8.503 1.00 0.00 O ATOM 704 CB HIS A 48 -5.821 -6.776 -7.917 1.00 0.00 C ATOM 705 CG HIS A 48 -7.174 -7.407 -8.042 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.314 -6.731 -8.410 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.574 -8.669 -7.761 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.337 -7.538 -8.338 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.916 -8.715 -7.951 1.00 0.00 N ATOM 0 H HIS A 48 -5.065 -8.074 -9.938 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.908 -5.424 -9.565 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.134 -7.540 -7.553 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.885 -6.010 -7.144 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.943 -9.486 -7.445 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.361 -7.278 -8.561 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.504 -9.537 -7.814 1.00 0.00 H new ATOM 718 N ILE A 49 -2.838 -6.236 -8.674 1.00 0.00 N ATOM 719 CA ILE A 49 -1.526 -5.803 -8.303 1.00 0.00 C ATOM 720 C ILE A 49 -0.895 -4.901 -9.349 1.00 0.00 C ATOM 721 O ILE A 49 -0.341 -3.881 -8.989 1.00 0.00 O ATOM 722 CB ILE A 49 -0.645 -6.976 -7.876 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.248 -7.595 -6.621 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.789 -6.514 -7.620 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.417 -8.678 -6.030 1.00 0.00 C ATOM 0 H ILE A 49 -2.891 -7.233 -8.884 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.625 -5.173 -7.419 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.607 -7.719 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.394 -6.813 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.233 -7.995 -6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.397 -7.366 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.200 -6.081 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.794 -5.765 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.910 -9.070 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.292 -9.479 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.560 -8.279 -5.757 1.00 0.00 H new ATOM 737 N LYS A 50 -1.016 -5.231 -10.641 1.00 0.00 N ATOM 738 CA LYS A 50 -0.520 -4.331 -11.683 1.00 0.00 C ATOM 739 C LYS A 50 -1.197 -2.956 -11.587 1.00 0.00 C ATOM 740 O LYS A 50 -0.577 -1.926 -11.875 1.00 0.00 O ATOM 741 CB LYS A 50 -0.686 -4.934 -13.076 1.00 0.00 C ATOM 742 CG LYS A 50 0.135 -6.173 -13.322 1.00 0.00 C ATOM 743 CD LYS A 50 0.055 -6.606 -14.767 1.00 0.00 C ATOM 744 CE LYS A 50 0.887 -7.847 -15.017 1.00 0.00 C ATOM 745 NZ LYS A 50 0.789 -8.303 -16.417 1.00 0.00 N ATOM 0 H LYS A 50 -1.442 -6.093 -10.982 1.00 0.00 H new ATOM 0 HA LYS A 50 0.549 -4.193 -11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.738 -5.174 -13.231 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.417 -4.182 -13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.174 -5.982 -13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.217 -6.979 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.984 -6.802 -15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.402 -5.798 -15.411 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.929 -7.640 -14.775 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.558 -8.645 -14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.373 -9.154 -16.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.202 -8.525 -16.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.127 -7.552 -17.051 1.00 0.00 H new ATOM 759 N VAL A 51 -2.452 -2.946 -11.141 1.00 0.00 N ATOM 760 CA VAL A 51 -3.185 -1.714 -10.903 1.00 0.00 C ATOM 761 C VAL A 51 -2.597 -0.969 -9.723 1.00 0.00 C ATOM 762 O VAL A 51 -2.277 0.219 -9.833 1.00 0.00 O ATOM 763 CB VAL A 51 -4.670 -1.948 -10.626 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.363 -0.644 -10.316 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.343 -2.642 -11.760 1.00 0.00 C ATOM 0 H VAL A 51 -2.984 -3.792 -10.936 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.095 -1.129 -11.818 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.742 -2.600 -9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.419 -0.831 -10.122 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.907 -0.190 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.264 0.031 -11.166 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.397 -2.789 -11.523 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.255 -2.035 -12.661 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.870 -3.610 -11.926 1.00 0.00 H new ATOM 775 N LEU A 52 -2.491 -1.640 -8.596 1.00 0.00 N ATOM 776 CA LEU A 52 -1.892 -1.072 -7.405 1.00 0.00 C ATOM 777 C LEU A 52 -0.526 -0.526 -7.698 1.00 0.00 C ATOM 778 O LEU A 52 -0.255 0.625 -7.384 1.00 0.00 O ATOM 779 CB LEU A 52 -1.834 -2.139 -6.338 1.00 0.00 C ATOM 780 CG LEU A 52 -3.183 -2.540 -5.840 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.138 -3.922 -5.284 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.650 -1.561 -4.807 1.00 0.00 C ATOM 0 H LEU A 52 -2.819 -2.599 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.500 -0.239 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.324 -3.016 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.237 -1.776 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.890 -2.534 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.128 -4.202 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.825 -4.617 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.428 -3.959 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.635 -1.856 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.947 -1.547 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.709 -0.566 -5.249 1.00 0.00 H new ATOM 794 N LEU A 53 0.302 -1.321 -8.364 1.00 0.00 N ATOM 795 CA LEU A 53 1.622 -0.904 -8.727 1.00 0.00 C ATOM 796 C LEU A 53 1.550 0.350 -9.568 1.00 0.00 C ATOM 797 O LEU A 53 2.193 1.310 -9.265 1.00 0.00 O ATOM 798 CB LEU A 53 2.351 -2.019 -9.456 1.00 0.00 C ATOM 799 CG LEU A 53 2.560 -3.293 -8.667 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.282 -4.280 -9.513 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.319 -3.030 -7.385 1.00 0.00 C ATOM 0 H LEU A 53 0.065 -2.268 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 53 2.188 -0.678 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.794 -2.261 -10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.325 -1.645 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 53 1.587 -3.697 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.435 -5.200 -8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.693 -4.495 -10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.248 -3.870 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.452 -3.966 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.295 -2.605 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.758 -2.329 -6.767 1.00 0.00 H new ATOM 813 N THR A 54 0.714 0.345 -10.577 1.00 0.00 N ATOM 814 CA THR A 54 0.522 1.465 -11.411 1.00 0.00 C ATOM 815 C THR A 54 0.027 2.730 -10.692 1.00 0.00 C ATOM 816 O THR A 54 0.492 3.841 -10.978 1.00 0.00 O ATOM 817 CB THR A 54 -0.327 1.057 -12.623 1.00 0.00 C ATOM 818 OG1 THR A 54 0.400 0.154 -13.465 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.886 2.200 -13.399 1.00 0.00 C ATOM 0 H THR A 54 0.145 -0.463 -10.831 1.00 0.00 H new ATOM 0 HA THR A 54 1.502 1.780 -11.769 1.00 0.00 H new ATOM 0 HB THR A 54 -1.199 0.545 -12.217 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.177 -0.769 -13.224 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.471 1.820 -14.236 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.526 2.801 -12.752 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.071 2.817 -13.777 1.00 0.00 H new ATOM 827 N HIS A 55 -0.848 2.559 -9.740 1.00 0.00 N ATOM 828 CA HIS A 55 -1.338 3.660 -8.940 1.00 0.00 C ATOM 829 C HIS A 55 -0.279 4.175 -7.942 1.00 0.00 C ATOM 830 O HIS A 55 -0.238 5.359 -7.621 1.00 0.00 O ATOM 831 CB HIS A 55 -2.684 3.264 -8.299 1.00 0.00 C ATOM 832 CG HIS A 55 -3.286 4.311 -7.409 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.194 5.242 -7.839 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.095 4.554 -6.101 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.530 6.016 -6.836 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.874 5.620 -5.766 1.00 0.00 N ATOM 0 H HIS A 55 -1.245 1.653 -9.492 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.530 4.521 -9.580 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.394 3.029 -9.092 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.541 2.352 -7.719 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.443 4.005 -5.437 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.227 6.840 -6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.938 6.041 -4.839 1.00 0.00 H new ATOM 845 N PHE A 56 0.563 3.284 -7.468 1.00 0.00 N ATOM 846 CA PHE A 56 1.686 3.655 -6.624 1.00 0.00 C ATOM 847 C PHE A 56 2.879 4.117 -7.458 1.00 0.00 C ATOM 848 O PHE A 56 3.886 4.607 -6.923 1.00 0.00 O ATOM 849 CB PHE A 56 2.069 2.506 -5.726 1.00 0.00 C ATOM 850 CG PHE A 56 1.078 2.254 -4.642 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.823 3.230 -3.704 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.406 1.054 -4.557 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.085 3.017 -2.690 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.502 0.825 -3.547 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.746 1.811 -2.608 1.00 0.00 C ATOM 0 H PHE A 56 0.492 2.284 -7.654 1.00 0.00 H new ATOM 0 HA PHE A 56 1.378 4.494 -6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.178 1.603 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.042 2.711 -5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.342 4.175 -3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.593 0.284 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.278 3.792 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.021 -0.120 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.454 1.636 -1.811 1.00 0.00 H new ATOM 865 N LYS A 57 2.729 3.956 -8.763 1.00 0.00 N ATOM 866 CA LYS A 57 3.702 4.345 -9.789 1.00 0.00 C ATOM 867 C LYS A 57 4.926 3.434 -9.799 1.00 0.00 C ATOM 868 O LYS A 57 6.045 3.855 -10.061 1.00 0.00 O ATOM 869 CB LYS A 57 4.069 5.825 -9.682 1.00 0.00 C ATOM 870 CG LYS A 57 2.899 6.756 -9.983 1.00 0.00 C ATOM 871 CD LYS A 57 3.302 8.223 -9.962 1.00 0.00 C ATOM 872 CE LYS A 57 4.342 8.546 -11.034 1.00 0.00 C ATOM 873 NZ LYS A 57 3.882 8.194 -12.402 1.00 0.00 N ATOM 0 H LYS A 57 1.891 3.532 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 57 3.221 4.211 -10.758 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.439 6.030 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.884 6.042 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.485 6.510 -10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.108 6.589 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.419 8.844 -10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.703 8.475 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.578 9.609 -10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.264 8.007 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.535 8.598 -13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.860 7.159 -12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.928 8.577 -12.557 1.00 0.00 H new ATOM 887 N ILE A 58 4.666 2.180 -9.590 1.00 0.00 N ATOM 888 CA ILE A 58 5.615 1.139 -9.596 1.00 0.00 C ATOM 889 C ILE A 58 5.432 0.347 -10.885 1.00 0.00 C ATOM 890 O ILE A 58 4.285 0.086 -11.270 1.00 0.00 O ATOM 891 CB ILE A 58 5.317 0.209 -8.430 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.346 1.007 -7.158 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.327 -0.931 -8.383 1.00 0.00 C ATOM 894 CD1 ILE A 58 4.915 0.228 -5.996 1.00 0.00 C ATOM 0 H ILE A 58 3.720 1.848 -9.400 1.00 0.00 H new ATOM 0 HA ILE A 58 6.626 1.540 -9.519 1.00 0.00 H new ATOM 0 HB ILE A 58 4.329 -0.235 -8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.357 1.377 -6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.701 1.879 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.098 -1.586 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.276 -1.501 -9.311 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.331 -0.523 -8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.955 0.853 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.893 -0.120 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.575 -0.630 -5.868 1.00 0.00 H new ATOM 906 N PRO A 59 6.513 0.001 -11.603 1.00 0.00 N ATOM 907 CA PRO A 59 6.424 -0.847 -12.794 1.00 0.00 C ATOM 908 C PRO A 59 5.731 -2.145 -12.490 1.00 0.00 C ATOM 909 O PRO A 59 6.056 -2.841 -11.511 1.00 0.00 O ATOM 910 CB PRO A 59 7.868 -1.104 -13.164 1.00 0.00 C ATOM 911 CG PRO A 59 8.593 0.050 -12.632 1.00 0.00 C ATOM 912 CD PRO A 59 7.898 0.427 -11.353 1.00 0.00 C ATOM 0 HA PRO A 59 5.850 -0.376 -13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.230 -2.035 -12.728 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.992 -1.188 -14.244 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.639 -0.198 -12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.581 0.878 -13.341 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.330 -0.083 -10.492 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.964 1.497 -11.156 1.00 0.00 H new ATOM 920 N VAL A 60 4.785 -2.468 -13.334 1.00 0.00 N ATOM 921 CA VAL A 60 3.992 -3.652 -13.211 1.00 0.00 C ATOM 922 C VAL A 60 4.794 -4.928 -13.306 1.00 0.00 C ATOM 923 O VAL A 60 4.289 -5.973 -13.006 1.00 0.00 O ATOM 924 CB VAL A 60 2.874 -3.688 -14.276 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.895 -2.572 -14.045 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.422 -3.621 -15.676 1.00 0.00 C ATOM 0 H VAL A 60 4.543 -1.897 -14.144 1.00 0.00 H new ATOM 0 HA VAL A 60 3.561 -3.604 -12.211 1.00 0.00 H new ATOM 0 HB VAL A 60 2.360 -4.644 -14.173 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.113 -2.611 -14.804 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.447 -2.679 -13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.413 -1.615 -14.107 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.599 -3.649 -16.390 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.982 -2.694 -15.804 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.082 -4.471 -15.849 1.00 0.00 H new ATOM 936 N ASP A 61 6.057 -4.836 -13.708 1.00 0.00 N ATOM 937 CA ASP A 61 6.902 -6.025 -13.800 1.00 0.00 C ATOM 938 C ASP A 61 7.268 -6.548 -12.429 1.00 0.00 C ATOM 939 O ASP A 61 7.680 -7.707 -12.274 1.00 0.00 O ATOM 940 CB ASP A 61 8.180 -5.797 -14.636 1.00 0.00 C ATOM 941 CG ASP A 61 9.155 -4.807 -14.066 1.00 0.00 C ATOM 942 OD1 ASP A 61 9.969 -5.182 -13.196 1.00 0.00 O ATOM 943 OD2 ASP A 61 9.174 -3.648 -14.536 1.00 0.00 O ATOM 0 H ASP A 61 6.515 -3.964 -13.973 1.00 0.00 H new ATOM 0 HA ASP A 61 6.304 -6.773 -14.321 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.689 -6.753 -14.758 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.888 -5.462 -15.631 1.00 0.00 H new ATOM 948 N LYS A 62 7.046 -5.720 -11.418 1.00 0.00 N ATOM 949 CA LYS A 62 7.337 -6.070 -10.067 1.00 0.00 C ATOM 950 C LYS A 62 6.234 -6.911 -9.452 1.00 0.00 C ATOM 951 O LYS A 62 6.398 -7.446 -8.375 1.00 0.00 O ATOM 952 CB LYS A 62 7.565 -4.845 -9.261 1.00 0.00 C ATOM 953 CG LYS A 62 8.809 -4.113 -9.674 1.00 0.00 C ATOM 954 CD LYS A 62 9.095 -3.066 -8.686 1.00 0.00 C ATOM 955 CE LYS A 62 10.347 -2.268 -9.011 1.00 0.00 C ATOM 956 NZ LYS A 62 11.564 -3.096 -8.932 1.00 0.00 N ATOM 0 H LYS A 62 6.656 -4.784 -11.530 1.00 0.00 H new ATOM 0 HA LYS A 62 8.245 -6.673 -10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.706 -4.182 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.638 -5.115 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.648 -4.805 -9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.677 -3.673 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.244 -2.388 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.207 -3.523 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.259 -1.847 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.433 -1.430 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.404 -2.487 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.583 -3.599 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.565 -3.787 -9.709 1.00 0.00 H new ATOM 970 N VAL A 63 5.104 -7.009 -10.175 1.00 0.00 N ATOM 971 CA VAL A 63 3.872 -7.808 -9.838 1.00 0.00 C ATOM 972 C VAL A 63 4.259 -9.228 -9.406 1.00 0.00 C ATOM 973 O VAL A 63 3.615 -9.845 -8.567 1.00 0.00 O ATOM 974 CB VAL A 63 3.039 -7.839 -11.149 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.509 -8.815 -12.219 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.601 -8.062 -10.832 1.00 0.00 C ATOM 0 H VAL A 63 5.002 -6.513 -11.061 1.00 0.00 H new ATOM 0 HA VAL A 63 3.311 -7.371 -9.012 1.00 0.00 H new ATOM 0 HB VAL A 63 3.193 -6.858 -11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.852 -8.748 -13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.528 -8.567 -12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.484 -9.830 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.024 -8.082 -11.756 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.486 -9.013 -10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.239 -7.254 -10.196 1.00 0.00 H new ATOM 986 N SER A 64 5.341 -9.677 -9.987 1.00 0.00 N ATOM 987 CA SER A 64 5.980 -10.928 -9.717 1.00 0.00 C ATOM 988 C SER A 64 6.292 -11.063 -8.215 1.00 0.00 C ATOM 989 O SER A 64 6.000 -12.080 -7.578 1.00 0.00 O ATOM 990 CB SER A 64 7.316 -10.873 -10.443 1.00 0.00 C ATOM 991 OG SER A 64 7.116 -10.504 -11.817 1.00 0.00 O ATOM 0 H SER A 64 5.826 -9.140 -10.706 1.00 0.00 H new ATOM 0 HA SER A 64 5.343 -11.756 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.974 -10.152 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.809 -11.843 -10.387 1.00 0.00 H new ATOM 0 HG SER A 64 7.315 -9.551 -11.932 1.00 0.00 H new ATOM 997 N SER A 65 6.842 -10.005 -7.666 1.00 0.00 N ATOM 998 CA SER A 65 7.293 -9.979 -6.324 1.00 0.00 C ATOM 999 C SER A 65 6.228 -9.424 -5.411 1.00 0.00 C ATOM 1000 O SER A 65 6.395 -9.405 -4.220 1.00 0.00 O ATOM 1001 CB SER A 65 8.592 -9.142 -6.195 1.00 0.00 C ATOM 1002 OG SER A 65 9.200 -9.279 -4.919 1.00 0.00 O ATOM 0 H SER A 65 6.984 -9.127 -8.164 1.00 0.00 H new ATOM 0 HA SER A 65 7.508 -11.005 -6.025 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.298 -9.451 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.363 -8.091 -6.375 1.00 0.00 H new ATOM 0 HG SER A 65 8.505 -9.368 -4.233 1.00 0.00 H new ATOM 1008 N TYR A 66 5.113 -9.053 -5.937 1.00 0.00 N ATOM 1009 CA TYR A 66 4.152 -8.412 -5.115 1.00 0.00 C ATOM 1010 C TYR A 66 3.075 -9.325 -4.698 1.00 0.00 C ATOM 1011 O TYR A 66 2.607 -10.173 -5.471 1.00 0.00 O ATOM 1012 CB TYR A 66 3.641 -7.115 -5.690 1.00 0.00 C ATOM 1013 CG TYR A 66 4.515 -5.950 -5.330 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.297 -5.278 -4.154 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.556 -5.534 -6.133 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.066 -4.230 -3.774 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.345 -4.468 -5.759 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.080 -3.822 -4.569 1.00 0.00 C ATOM 1019 OH TYR A 66 6.848 -2.774 -4.167 1.00 0.00 O ATOM 0 H TYR A 66 4.848 -9.180 -6.914 1.00 0.00 H new ATOM 0 HA TYR A 66 4.679 -8.127 -4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.581 -7.200 -6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.629 -6.933 -5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.488 -5.594 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.754 -6.048 -7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.870 -3.723 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.160 -4.143 -6.389 1.00 0.00 H new ATOM 0 HH TYR A 66 6.718 -2.623 -3.207 1.00 0.00 H new ATOM 1029 N ALA A 67 2.711 -9.183 -3.463 1.00 0.00 N ATOM 1030 CA ALA A 67 1.748 -9.992 -2.852 1.00 0.00 C ATOM 1031 C ALA A 67 1.030 -9.211 -1.800 1.00 0.00 C ATOM 1032 O ALA A 67 1.631 -8.361 -1.117 1.00 0.00 O ATOM 1033 CB ALA A 67 2.404 -11.195 -2.220 1.00 0.00 C ATOM 0 H ALA A 67 3.100 -8.471 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 67 1.039 -10.327 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.644 -11.817 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.921 -11.772 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.122 -10.865 -1.469 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.231 -9.459 -1.707 1.00 0.00 N ATOM 1040 CA LEU A 68 -1.048 -8.905 -0.687 1.00 0.00 C ATOM 1041 C LEU A 68 -0.811 -9.709 0.572 1.00 0.00 C ATOM 1042 O LEU A 68 -0.888 -10.923 0.541 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.508 -9.026 -1.122 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.855 -8.346 -2.459 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.282 -8.641 -2.831 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.636 -6.834 -2.385 1.00 0.00 C ATOM 0 H LEU A 68 -0.733 -10.067 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.814 -7.856 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.762 -10.084 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.139 -8.600 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.191 -8.747 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.519 -8.156 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.417 -9.718 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.946 -8.263 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.890 -6.382 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.271 -6.412 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.591 -6.629 -2.152 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.480 -9.072 1.636 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.192 -9.762 2.862 1.00 0.00 C ATOM 1060 C GLN A 69 -1.243 -9.382 3.872 1.00 0.00 C ATOM 1061 O GLN A 69 -1.793 -8.264 3.820 1.00 0.00 O ATOM 1062 CB GLN A 69 1.200 -9.356 3.406 1.00 0.00 C ATOM 1063 CG GLN A 69 1.720 -10.241 4.549 1.00 0.00 C ATOM 1064 CD GLN A 69 2.849 -9.620 5.346 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.949 -8.404 5.486 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.694 -10.443 5.892 1.00 0.00 N ATOM 0 H GLN A 69 -0.398 -8.057 1.692 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.193 -10.837 2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.918 -9.383 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.153 -8.324 3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.894 -10.467 5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.061 -11.189 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.586 -11.448 5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.465 -10.083 6.454 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.542 -10.297 4.745 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.438 -10.060 5.834 1.00 0.00 C ATOM 1077 C ASN A 70 -1.650 -9.354 6.911 1.00 0.00 C ATOM 1078 O ASN A 70 -0.588 -9.834 7.306 1.00 0.00 O ATOM 1079 CB ASN A 70 -2.967 -11.372 6.405 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.018 -11.151 7.486 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.688 -10.964 8.659 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.273 -11.192 7.116 1.00 0.00 N ATOM 0 H ASN A 70 -1.163 -11.244 4.719 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.287 -9.469 5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.397 -11.969 5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.138 -11.946 6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.013 -11.067 7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.511 -11.349 6.137 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.137 -8.232 7.405 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.421 -7.434 8.402 1.00 0.00 C ATOM 1091 C PRO A 71 -1.312 -8.081 9.786 1.00 0.00 C ATOM 1092 O PRO A 71 -0.467 -7.680 10.586 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.250 -6.166 8.492 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.615 -6.557 8.052 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.423 -7.615 7.019 1.00 0.00 C ATOM 0 HA PRO A 71 -0.384 -7.292 8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.262 -5.775 9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.841 -5.382 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.203 -6.931 8.890 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.153 -5.703 7.641 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.237 -8.340 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.383 -7.195 6.014 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.127 -9.072 10.081 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.101 -9.627 11.394 1.00 0.00 C ATOM 1105 C PHE A 72 -1.422 -10.956 11.458 1.00 0.00 C ATOM 1106 O PHE A 72 -0.622 -11.216 12.352 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.503 -9.731 11.993 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.175 -8.394 12.169 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -3.951 -7.628 13.300 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.017 -7.899 11.193 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.558 -6.400 13.453 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.625 -6.670 11.340 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.397 -5.920 12.472 1.00 0.00 C ATOM 0 H PHE A 72 -2.797 -9.494 9.438 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.511 -8.930 11.990 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.120 -10.358 11.350 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.442 -10.229 12.960 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.292 -7.997 14.072 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.202 -8.482 10.303 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.376 -5.814 14.342 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.280 -6.296 10.567 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.875 -4.959 12.590 1.00 0.00 H new ATOM 1123 N THR A 73 -1.716 -11.781 10.509 1.00 0.00 N ATOM 1124 CA THR A 73 -1.208 -13.134 10.481 1.00 0.00 C ATOM 1125 C THR A 73 0.101 -13.199 9.708 1.00 0.00 C ATOM 1126 O THR A 73 0.861 -14.177 9.816 1.00 0.00 O ATOM 1127 CB THR A 73 -2.205 -14.045 9.794 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.309 -13.647 8.415 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.567 -13.903 10.449 1.00 0.00 C ATOM 0 H THR A 73 -2.319 -11.545 9.721 1.00 0.00 H new ATOM 0 HA THR A 73 -1.045 -13.453 11.510 1.00 0.00 H new ATOM 0 HB THR A 73 -1.873 -15.080 9.872 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.950 -14.228 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.280 -14.560 9.951 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.495 -14.177 11.502 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.905 -12.870 10.365 1.00 0.00 H new ATOM 1137 N LEU A 74 0.330 -12.170 8.899 1.00 0.00 N ATOM 1138 CA LEU A 74 1.509 -12.030 8.065 1.00 0.00 C ATOM 1139 C LEU A 74 1.518 -13.040 6.934 1.00 0.00 C ATOM 1140 O LEU A 74 2.557 -13.270 6.294 1.00 0.00 O ATOM 1141 CB LEU A 74 2.796 -12.087 8.887 1.00 0.00 C ATOM 1142 CG LEU A 74 2.880 -11.102 10.017 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.291 -10.970 10.490 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.265 -9.762 9.652 1.00 0.00 C ATOM 0 H LEU A 74 -0.321 -11.390 8.806 1.00 0.00 H new ATOM 0 HA LEU A 74 1.465 -11.040 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.903 -13.092 9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.642 -11.922 8.219 1.00 0.00 H new ATOM 0 HG LEU A 74 2.287 -11.488 10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.334 -10.252 11.309 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.651 -11.939 10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.919 -10.622 9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.348 -9.081 10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.791 -9.342 8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.214 -9.901 9.400 1.00 0.00 H new ATOM 1156 N ALA A 75 0.360 -13.612 6.654 1.00 0.00 N ATOM 1157 CA ALA A 75 0.231 -14.560 5.585 1.00 0.00 C ATOM 1158 C ALA A 75 0.005 -13.831 4.292 1.00 0.00 C ATOM 1159 O ALA A 75 -0.704 -12.838 4.255 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.925 -15.500 5.848 1.00 0.00 C ATOM 0 H ALA A 75 -0.505 -13.428 7.162 1.00 0.00 H new ATOM 0 HA ALA A 75 1.149 -15.144 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.009 -16.212 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.751 -16.038 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.849 -14.927 5.927 1.00 0.00 H new ATOM 1166 N TYR A 76 0.598 -14.305 3.261 1.00 0.00 N ATOM 1167 CA TYR A 76 0.489 -13.705 1.974 1.00 0.00 C ATOM 1168 C TYR A 76 -0.605 -14.358 1.174 1.00 0.00 C ATOM 1169 O TYR A 76 -0.939 -15.531 1.390 1.00 0.00 O ATOM 1170 CB TYR A 76 1.801 -13.831 1.231 1.00 0.00 C ATOM 1171 CG TYR A 76 2.889 -12.932 1.752 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.722 -13.318 2.784 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.088 -11.701 1.180 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.738 -12.489 3.221 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.085 -10.861 1.602 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.918 -11.259 2.623 1.00 0.00 C ATOM 1177 OH TYR A 76 5.934 -10.425 3.053 1.00 0.00 O ATOM 0 H TYR A 76 1.186 -15.138 3.282 1.00 0.00 H new ATOM 0 HA TYR A 76 0.246 -12.651 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.141 -14.865 1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.633 -13.608 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.578 -14.279 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.441 -11.385 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.387 -12.802 4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.216 -9.895 1.137 1.00 0.00 H new ATOM 0 HH TYR A 76 5.923 -9.598 2.527 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.191 -13.607 0.305 1.00 0.00 N ATOM 1188 CA VAL A 77 -2.142 -14.108 -0.627 1.00 0.00 C ATOM 1189 C VAL A 77 -1.361 -14.571 -1.833 1.00 0.00 C ATOM 1190 O VAL A 77 -0.801 -13.765 -2.580 1.00 0.00 O ATOM 1191 CB VAL A 77 -3.167 -13.009 -1.027 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -4.152 -13.530 -2.059 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.908 -12.502 0.210 1.00 0.00 C ATOM 0 H VAL A 77 -1.018 -12.605 0.221 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.715 -14.926 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.619 -12.179 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.857 -12.741 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.611 -13.844 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.696 -14.380 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.623 -11.733 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.439 -13.330 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.192 -12.081 0.916 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.255 -15.862 -1.966 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.459 -16.478 -3.001 1.00 0.00 C ATOM 1205 C GLU A 78 -1.362 -17.099 -4.041 1.00 0.00 C ATOM 1206 O GLU A 78 -0.951 -17.934 -4.869 1.00 0.00 O ATOM 1207 CB GLU A 78 0.415 -17.503 -2.354 1.00 0.00 C ATOM 1208 CG GLU A 78 1.224 -16.919 -1.201 1.00 0.00 C ATOM 1209 CD GLU A 78 2.033 -17.933 -0.474 1.00 0.00 C ATOM 1210 OE1 GLU A 78 1.455 -18.877 0.079 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.265 -17.794 -0.419 1.00 0.00 O ATOM 0 H GLU A 78 -1.723 -16.529 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 78 0.162 -15.740 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.201 -18.324 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.093 -17.922 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.887 -16.145 -1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.545 -16.435 -0.499 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.591 -16.667 -3.985 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.631 -17.054 -4.868 1.00 0.00 C ATOM 1220 C ASP A 79 -3.475 -16.386 -6.194 1.00 0.00 C ATOM 1221 O ASP A 79 -2.801 -15.361 -6.329 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.990 -16.590 -4.312 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.326 -17.163 -2.955 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.744 -16.721 -1.942 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -6.188 -18.065 -2.866 1.00 0.00 O ATOM 0 H ASP A 79 -2.900 -15.999 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.584 -18.138 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.992 -15.502 -4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.774 -16.868 -5.017 1.00 0.00 H new ATOM 1230 N SER A 80 -4.073 -16.983 -7.157 1.00 0.00 N ATOM 1231 CA SER A 80 -4.181 -16.466 -8.462 1.00 0.00 C ATOM 1232 C SER A 80 -5.365 -15.532 -8.532 1.00 0.00 C ATOM 1233 O SER A 80 -5.335 -14.485 -9.179 1.00 0.00 O ATOM 1234 CB SER A 80 -4.372 -17.602 -9.404 1.00 0.00 C ATOM 1235 OG SER A 80 -3.244 -18.466 -9.399 1.00 0.00 O ATOM 0 H SER A 80 -4.522 -17.892 -7.046 1.00 0.00 H new ATOM 0 HA SER A 80 -3.280 -15.914 -8.729 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.265 -18.163 -9.126 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.536 -17.219 -10.411 1.00 0.00 H new ATOM 0 HG SER A 80 -3.395 -19.205 -10.025 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.403 -15.908 -7.849 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.591 -15.152 -7.766 1.00 0.00 C ATOM 1243 C PHE A 81 -8.009 -15.041 -6.326 1.00 0.00 C ATOM 1244 O PHE A 81 -7.850 -15.981 -5.552 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.674 -15.819 -8.552 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.531 -15.706 -10.032 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.656 -16.521 -10.708 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.262 -14.776 -10.739 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.504 -16.418 -12.073 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.118 -14.664 -12.104 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.236 -15.488 -12.775 1.00 0.00 C ATOM 0 H PHE A 81 -6.436 -16.780 -7.321 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.416 -14.157 -8.175 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.701 -16.875 -8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.633 -15.391 -8.260 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.079 -17.253 -10.162 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.953 -14.130 -10.218 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.812 -17.065 -12.591 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.695 -13.932 -12.650 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.121 -15.403 -13.846 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.558 -13.923 -5.992 1.00 0.00 N ATOM 1262 CA LEU A 82 -9.014 -13.633 -4.658 1.00 0.00 C ATOM 1263 C LEU A 82 -10.335 -14.283 -4.400 1.00 0.00 C ATOM 1264 O LEU A 82 -11.120 -14.550 -5.318 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.151 -12.130 -4.499 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.847 -11.413 -4.164 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.022 -9.912 -4.204 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.366 -11.852 -2.784 1.00 0.00 C ATOM 0 H LEU A 82 -8.710 -13.159 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.290 -14.023 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.554 -11.714 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.878 -11.924 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.101 -11.681 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.076 -9.429 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.338 -9.609 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.778 -9.614 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.434 -11.340 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.121 -11.601 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.199 -12.929 -2.783 1.00 0.00 H new ATOM 1280 N THR A 83 -10.567 -14.560 -3.171 1.00 0.00 N ATOM 1281 CA THR A 83 -11.788 -15.087 -2.740 1.00 0.00 C ATOM 1282 C THR A 83 -12.526 -13.976 -2.021 1.00 0.00 C ATOM 1283 O THR A 83 -11.874 -13.051 -1.495 1.00 0.00 O ATOM 1284 CB THR A 83 -11.542 -16.271 -1.781 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.623 -15.869 -0.755 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.960 -17.450 -2.525 1.00 0.00 C ATOM 0 H THR A 83 -9.888 -14.419 -2.423 1.00 0.00 H new ATOM 0 HA THR A 83 -12.372 -15.454 -3.583 1.00 0.00 H new ATOM 0 HB THR A 83 -12.496 -16.565 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.467 -16.619 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.795 -18.273 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.653 -17.767 -3.304 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.012 -17.162 -2.978 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.872 -13.995 -2.003 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.661 -13.010 -1.250 1.00 0.00 C ATOM 1296 C PRO A 84 -14.267 -13.045 0.215 1.00 0.00 C ATOM 1297 O PRO A 84 -14.268 -12.034 0.877 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.100 -13.477 -1.435 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.075 -14.289 -2.685 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.733 -14.947 -2.732 1.00 0.00 C ATOM 0 HA PRO A 84 -14.510 -11.985 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.437 -14.069 -0.584 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.782 -12.632 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.872 -15.032 -2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.230 -13.659 -3.561 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.747 -15.927 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.392 -15.097 -3.757 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.881 -14.228 0.680 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.392 -14.436 2.030 1.00 0.00 C ATOM 1310 C GLU A 85 -12.173 -13.561 2.301 1.00 0.00 C ATOM 1311 O GLU A 85 -12.104 -12.879 3.316 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.001 -15.887 2.212 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.111 -16.881 1.981 1.00 0.00 C ATOM 1314 CD GLU A 85 -13.623 -18.285 2.166 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.634 -18.781 3.310 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -13.182 -18.907 1.182 1.00 0.00 O ATOM 0 H GLU A 85 -13.901 -15.079 0.118 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.186 -14.170 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.182 -16.115 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.619 -16.020 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.930 -16.683 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.508 -16.760 0.973 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.225 -13.577 1.369 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.014 -12.766 1.479 1.00 0.00 C ATOM 1325 C ARG A 86 -10.348 -11.306 1.489 1.00 0.00 C ATOM 1326 O ARG A 86 -9.745 -10.539 2.212 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.020 -13.108 0.407 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.149 -14.327 0.672 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.111 -14.056 1.758 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.632 -14.070 3.122 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.897 -13.883 4.217 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -5.567 -14.040 4.174 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -7.496 -13.605 5.370 1.00 0.00 N ATOM 0 H ARG A 86 -11.272 -14.146 0.524 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.540 -13.000 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.561 -13.268 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.369 -12.247 0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.778 -15.165 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.644 -14.620 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.320 -14.802 1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.653 -13.085 1.569 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.631 -14.235 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.113 -14.304 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.009 -13.896 5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.513 -13.536 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.939 -13.461 6.212 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.325 -10.949 0.714 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.788 -9.591 0.635 1.00 0.00 C ATOM 1349 C LEU A 87 -12.428 -9.172 1.950 1.00 0.00 C ATOM 1350 O LEU A 87 -12.142 -8.120 2.477 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.777 -9.460 -0.502 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.296 -9.926 -1.855 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.354 -9.664 -2.910 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.999 -9.241 -2.206 1.00 0.00 C ATOM 0 H LEU A 87 -11.831 -11.597 0.110 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.940 -8.933 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.674 -10.023 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.070 -8.413 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.117 -11.001 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.993 -10.005 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.266 -10.203 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.565 -8.596 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.660 -9.583 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.153 -8.162 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.246 -9.482 -1.456 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.279 -10.013 2.454 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.944 -9.822 3.690 1.00 0.00 C ATOM 1368 C VAL A 88 -13.026 -9.768 4.897 1.00 0.00 C ATOM 1369 O VAL A 88 -13.139 -8.857 5.737 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.118 -10.803 3.794 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.625 -10.808 5.175 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.229 -10.543 2.824 1.00 0.00 C ATOM 0 H VAL A 88 -13.534 -10.885 1.990 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.364 -8.816 3.703 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.729 -11.785 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.460 -11.504 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.830 -11.117 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.961 -9.806 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.017 -11.282 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.633 -9.545 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.847 -10.612 1.806 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.102 -10.685 4.971 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.081 -10.644 6.000 1.00 0.00 C ATOM 1384 C GLU A 89 -10.187 -9.412 5.844 1.00 0.00 C ATOM 1385 O GLU A 89 -9.648 -8.880 6.811 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.254 -11.894 5.992 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.891 -13.075 6.674 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.117 -12.815 8.137 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -12.168 -12.290 8.492 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -10.222 -13.121 8.967 1.00 0.00 O ATOM 0 H GLU A 89 -12.028 -11.476 4.332 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.590 -10.577 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.037 -12.163 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.299 -11.685 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.842 -13.303 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.255 -13.952 6.554 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.008 -8.978 4.631 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.234 -7.764 4.390 1.00 0.00 C ATOM 1399 C ALA A 90 -10.033 -6.511 4.732 1.00 0.00 C ATOM 1400 O ALA A 90 -9.468 -5.527 5.205 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.694 -7.706 2.997 1.00 0.00 C ATOM 0 H ALA A 90 -10.376 -9.429 3.793 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.376 -7.800 5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.126 -6.785 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.043 -8.563 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.520 -7.728 2.286 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.336 -6.554 4.506 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.228 -5.461 4.864 1.00 0.00 C ATOM 1409 C GLU A 91 -12.200 -5.154 6.354 1.00 0.00 C ATOM 1410 O GLU A 91 -12.533 -4.036 6.777 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.630 -5.711 4.378 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.885 -5.207 2.976 1.00 0.00 C ATOM 1413 CD GLU A 91 -13.928 -3.701 2.926 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -12.880 -3.050 3.064 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.043 -3.142 2.813 1.00 0.00 O ATOM 0 H GLU A 91 -11.806 -7.347 4.069 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.855 -4.573 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.832 -6.782 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.333 -5.232 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.103 -5.571 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.829 -5.611 2.610 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.825 -6.156 7.143 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.632 -6.012 8.569 1.00 0.00 C ATOM 1424 C LYS A 92 -10.668 -4.868 8.881 1.00 0.00 C ATOM 1425 O LYS A 92 -10.861 -4.115 9.833 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.064 -7.299 9.137 1.00 0.00 C ATOM 1427 CG LYS A 92 -11.943 -8.524 8.928 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.305 -8.399 9.576 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.152 -9.648 9.342 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.629 -10.830 10.051 1.00 0.00 N ATOM 0 H LYS A 92 -11.646 -7.099 6.799 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.599 -5.791 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.091 -7.484 8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.896 -7.166 10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.071 -8.693 7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.435 -9.400 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.186 -8.234 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.822 -7.527 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.174 -9.456 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.194 -9.859 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.363 -11.566 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.796 -11.196 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.359 -10.563 11.019 1.00 0.00 H new ATOM 1444 N SER A 93 -9.623 -4.754 8.087 1.00 0.00 N ATOM 1445 CA SER A 93 -8.638 -3.718 8.273 1.00 0.00 C ATOM 1446 C SER A 93 -8.067 -3.130 6.956 1.00 0.00 C ATOM 1447 O SER A 93 -8.509 -2.066 6.497 1.00 0.00 O ATOM 1448 CB SER A 93 -7.557 -4.202 9.195 1.00 0.00 C ATOM 1449 OG SER A 93 -8.097 -4.549 10.465 1.00 0.00 O ATOM 0 H SER A 93 -9.437 -5.375 7.300 1.00 0.00 H new ATOM 0 HA SER A 93 -9.153 -2.876 8.736 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.059 -5.067 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.801 -3.426 9.315 1.00 0.00 H new ATOM 0 HG SER A 93 -7.369 -4.789 11.076 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.123 -3.824 6.365 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.428 -3.417 5.141 1.00 0.00 C ATOM 1457 C TYR A 94 -5.731 -4.647 4.529 1.00 0.00 C ATOM 1458 O TYR A 94 -5.809 -5.761 5.081 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.273 -2.380 5.408 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.216 -2.608 6.437 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.563 -2.819 7.731 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.865 -2.516 6.113 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.616 -2.953 8.713 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.910 -2.632 7.079 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.285 -2.852 8.380 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.327 -2.953 9.353 1.00 0.00 O ATOM 0 H TYR A 94 -6.798 -4.721 6.727 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.185 -2.973 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.758 -2.234 4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.754 -1.434 5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.609 -2.883 7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.571 -2.351 5.087 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.911 -3.136 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.864 -2.551 6.821 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.439 -2.861 8.949 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.051 -4.416 3.422 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.113 -5.353 2.806 1.00 0.00 C ATOM 1478 C PHE A 95 -2.781 -4.667 2.798 1.00 0.00 C ATOM 1479 O PHE A 95 -2.725 -3.442 2.862 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.422 -5.666 1.325 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.316 -6.834 1.021 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.993 -8.104 1.477 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.440 -6.678 0.229 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.783 -9.193 1.159 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.231 -7.765 -0.103 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.902 -9.024 0.364 1.00 0.00 C ATOM 0 H PHE A 95 -5.135 -3.541 2.904 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.162 -6.284 3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.873 -4.777 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.473 -5.830 0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.113 -8.244 2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.704 -5.696 -0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.527 -10.174 1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.103 -7.630 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.518 -9.874 0.109 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.726 -5.408 2.766 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.432 -4.813 2.561 1.00 0.00 C ATOM 1498 C ILE A 96 0.088 -5.348 1.241 1.00 0.00 C ATOM 1499 O ILE A 96 -0.013 -6.516 0.981 1.00 0.00 O ATOM 1500 CB ILE A 96 0.559 -5.127 3.683 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.107 -4.889 5.033 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.779 -4.215 3.542 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.822 -5.048 6.191 1.00 0.00 C ATOM 0 H ILE A 96 -1.724 -6.422 2.878 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.534 -3.728 2.555 1.00 0.00 H new ATOM 0 HB ILE A 96 0.872 -6.169 3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.527 -3.883 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.939 -5.584 5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.490 -4.433 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.253 -4.388 2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.465 -3.174 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.281 -4.864 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.223 -6.062 6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.641 -4.334 6.101 1.00 0.00 H new ATOM 1515 N LEU A 97 0.611 -4.508 0.428 1.00 0.00 N ATOM 1516 CA LEU A 97 1.080 -4.876 -0.871 1.00 0.00 C ATOM 1517 C LEU A 97 2.572 -4.823 -0.767 1.00 0.00 C ATOM 1518 O LEU A 97 3.175 -3.741 -0.728 1.00 0.00 O ATOM 1519 CB LEU A 97 0.539 -3.862 -1.895 1.00 0.00 C ATOM 1520 CG LEU A 97 0.473 -4.240 -3.395 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.395 -3.400 -4.241 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.696 -5.722 -3.626 1.00 0.00 C ATOM 0 H LEU A 97 0.732 -3.519 0.645 1.00 0.00 H new ATOM 0 HA LEU A 97 0.751 -5.863 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.470 -3.593 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.148 -2.962 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.544 -4.017 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.311 -3.705 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.119 -2.350 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.423 -3.537 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.640 -5.936 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.679 -6.005 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.071 -6.292 -3.101 1.00 0.00 H new ATOM 1534 N ARG A 98 3.162 -5.956 -0.600 1.00 0.00 N ATOM 1535 CA ARG A 98 4.570 -6.020 -0.329 1.00 0.00 C ATOM 1536 C ARG A 98 5.263 -6.809 -1.343 1.00 0.00 C ATOM 1537 O ARG A 98 4.647 -7.595 -2.064 1.00 0.00 O ATOM 1538 CB ARG A 98 4.837 -6.743 0.965 1.00 0.00 C ATOM 1539 CG ARG A 98 4.148 -6.207 2.151 1.00 0.00 C ATOM 1540 CD ARG A 98 4.586 -6.951 3.366 1.00 0.00 C ATOM 1541 NE ARG A 98 6.032 -6.826 3.607 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.641 -7.234 4.721 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.941 -7.822 5.677 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.938 -7.045 4.873 1.00 0.00 N ATOM 0 H ARG A 98 2.694 -6.861 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 98 4.918 -4.987 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.550 -7.787 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.910 -6.728 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.369 -5.146 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.069 -6.296 2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.042 -6.578 4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.328 -8.004 3.257 1.00 0.00 H new ATOM 0 HE ARG A 98 6.604 -6.401 2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.937 -7.963 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.405 -8.135 6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.476 -6.586 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.402 -7.358 5.726 1.00 0.00 H new ATOM 1558 N MET A 99 6.545 -6.623 -1.384 1.00 0.00 N ATOM 1559 CA MET A 99 7.373 -7.452 -2.146 1.00 0.00 C ATOM 1560 C MET A 99 7.639 -8.667 -1.295 1.00 0.00 C ATOM 1561 O MET A 99 7.829 -8.550 -0.071 1.00 0.00 O ATOM 1562 CB MET A 99 8.696 -6.785 -2.465 1.00 0.00 C ATOM 1563 CG MET A 99 8.578 -5.440 -3.127 1.00 0.00 C ATOM 1564 SD MET A 99 10.121 -4.855 -3.857 1.00 0.00 S ATOM 1565 CE MET A 99 10.282 -6.018 -5.222 1.00 0.00 C ATOM 0 H MET A 99 7.033 -5.882 -0.880 1.00 0.00 H new ATOM 0 HA MET A 99 6.891 -7.691 -3.094 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.262 -6.671 -1.541 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.273 -7.445 -3.113 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.815 -5.493 -3.904 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.235 -4.712 -2.392 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.024 -5.648 -5.930 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.599 -6.988 -4.838 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.321 -6.123 -5.725 1.00 0.00 H new