USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 591 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 39 CYS SG : rot 77:sc= 0.583 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.48! C(o=-3.4!,f=-13!) USER MOD Set 1.3: A 114 CYS SG : rot 152:sc= 0.462 USER MOD Set 1.4: A 117 CYS SG : rot 125:sc= 0.0689 USER MOD Set 2.1: A 74 CYS SG : rot 90:sc= -1.61 USER MOD Set 2.2: A 79 CYS SG : rot -159:sc= -0.25 USER MOD Set 2.3: A 95 HIS : no HE2:sc= -1.07 K(o=-7.3,f=-9) USER MOD Set 2.4: A 99 THR OG1 : rot 157:sc= 0.0456 USER MOD Set 2.5: A 101 HIS : no HE2:sc= -4.44 K(o=-7.3,f=-14!) USER MOD Set 3.1: A 96 SER OG : rot 172:sc= -0.0553 USER MOD Set 3.2: A 97 GLN : amide:sc= -7.23! C(o=-7.3!,f=-9.8!) USER MOD Set 4.1: A 93 THR OG1 : rot -22:sc= -1.22 USER MOD Set 4.2: A 115 TYR OH : rot 100:sc= 0.431 USER MOD Set 5.1: A 92 SER OG : rot -130:sc= -0.57 USER MOD Set 5.2: A 104 THR OG1 : rot 32:sc= -0.858 USER MOD Set 6.1: A 61 CYS SG : rot 139:sc= 0.0264 USER MOD Set 6.2: A 64 CYS SG : rot -38:sc= 0.786 USER MOD Set 6.3: A 84 CYS SG : rot -123:sc= -1.15 USER MOD Set 6.4: A 91 HIS : no HE2:sc= -0.767 X(o=-1.1,f=-1.4) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -160:sc= -0.922 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0234 X(o=-0.023,f=-0.045) USER MOD Single : A 56 LYS NZ :NH3+ -142:sc= -1.95! (180deg=-4.1!) USER MOD Single : A 57 SER OG : rot -19:sc= 0.998 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -4.09! C(o=-4.1!,f=-12!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.771 X(o=-0.77,f=-1.3!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.026) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.958 K(o=-0.96,f=-11!) USER MOD Single : A 108 THR OG1 : rot 127:sc= 0.124 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.205 0.546 3.967 1.00 0.00 N ATOM 60 CA CYS A 39 15.765 -0.537 3.096 1.00 0.00 C ATOM 61 C CYS A 39 15.718 -0.072 1.635 1.00 0.00 C ATOM 62 O CYS A 39 15.190 1.000 1.332 1.00 0.00 O ATOM 63 CB CYS A 39 14.393 -1.055 3.558 1.00 0.00 C ATOM 64 SG CYS A 39 13.302 -1.626 2.233 1.00 0.00 S ATOM 0 HA CYS A 39 16.482 -1.356 3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.549 -1.876 4.258 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.888 -0.260 4.106 1.00 0.00 H new ATOM 0 HG CYS A 39 13.681 -2.804 1.836 1.00 0.00 H new ATOM 69 N PRO A 40 16.278 -0.875 0.710 1.00 0.00 N ATOM 70 CA PRO A 40 16.308 -0.542 -0.720 1.00 0.00 C ATOM 71 C PRO A 40 14.925 -0.550 -1.366 1.00 0.00 C ATOM 72 O PRO A 40 14.587 0.348 -2.138 1.00 0.00 O ATOM 73 CB PRO A 40 17.177 -1.648 -1.326 1.00 0.00 C ATOM 74 CG PRO A 40 17.059 -2.787 -0.374 1.00 0.00 C ATOM 75 CD PRO A 40 16.931 -2.169 0.987 1.00 0.00 C ATOM 0 HA PRO A 40 16.688 0.467 -0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.828 -1.926 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.213 -1.325 -1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.191 -3.403 -0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.934 -3.435 -0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.332 -2.787 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.903 -2.036 1.462 1.00 0.00 H new ATOM 83 N HIS A 41 14.134 -1.572 -1.055 1.00 0.00 N ATOM 84 CA HIS A 41 12.791 -1.705 -1.614 1.00 0.00 C ATOM 85 C HIS A 41 12.020 -0.385 -1.539 1.00 0.00 C ATOM 86 O HIS A 41 11.534 0.116 -2.552 1.00 0.00 O ATOM 87 CB HIS A 41 12.027 -2.808 -0.879 1.00 0.00 C ATOM 88 CG HIS A 41 12.824 -4.062 -0.680 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.342 -4.396 0.549 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.163 -5.020 -1.577 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.978 -5.539 0.376 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.897 -5.958 -0.895 1.00 0.00 N ATOM 0 H HIS A 41 14.400 -2.322 -0.417 1.00 0.00 H new ATOM 0 HA HIS A 41 12.888 -1.973 -2.666 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.709 -2.432 0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.123 -3.047 -1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.905 -5.041 -2.626 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.498 -6.070 1.159 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.303 -6.810 -1.281 1.00 0.00 H new ATOM 100 N LEU A 42 11.918 0.170 -0.337 1.00 0.00 N ATOM 101 CA LEU A 42 11.213 1.430 -0.133 1.00 0.00 C ATOM 102 C LEU A 42 12.035 2.605 -0.656 1.00 0.00 C ATOM 103 O LEU A 42 11.488 3.566 -1.196 1.00 0.00 O ATOM 104 CB LEU A 42 10.898 1.633 1.351 1.00 0.00 C ATOM 105 CG LEU A 42 12.110 1.607 2.285 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.669 3.008 2.470 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.734 1.000 3.628 1.00 0.00 C ATOM 0 H LEU A 42 12.315 -0.233 0.512 1.00 0.00 H new ATOM 0 HA LEU A 42 10.278 1.386 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.388 2.589 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.200 0.858 1.667 1.00 0.00 H new ATOM 0 HG LEU A 42 12.882 0.986 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.530 2.971 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.975 3.408 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.903 3.651 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.608 0.989 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.945 1.595 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.379 -0.020 3.480 1.00 0.00 H new ATOM 119 N ASP A 43 13.353 2.522 -0.492 1.00 0.00 N ATOM 120 CA ASP A 43 14.248 3.579 -0.949 1.00 0.00 C ATOM 121 C ASP A 43 14.097 3.826 -2.449 1.00 0.00 C ATOM 122 O ASP A 43 14.446 4.896 -2.948 1.00 0.00 O ATOM 123 CB ASP A 43 15.701 3.222 -0.627 1.00 0.00 C ATOM 124 CG ASP A 43 16.213 3.937 0.609 1.00 0.00 C ATOM 125 OD1 ASP A 43 15.394 4.246 1.498 1.00 0.00 O ATOM 126 OD2 ASP A 43 17.434 4.186 0.687 1.00 0.00 O ATOM 0 H ASP A 43 13.823 1.734 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 43 13.976 4.494 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.784 2.145 -0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.332 3.477 -1.478 1.00 0.00 H new ATOM 131 N SER A 44 13.584 2.830 -3.167 1.00 0.00 N ATOM 132 CA SER A 44 13.401 2.946 -4.611 1.00 0.00 C ATOM 133 C SER A 44 12.092 3.653 -4.951 1.00 0.00 C ATOM 134 O SER A 44 12.050 4.504 -5.840 1.00 0.00 O ATOM 135 CB SER A 44 13.426 1.560 -5.259 1.00 0.00 C ATOM 136 OG SER A 44 13.925 1.627 -6.585 1.00 0.00 O ATOM 0 H SER A 44 13.289 1.936 -2.774 1.00 0.00 H new ATOM 0 HA SER A 44 14.223 3.545 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.048 0.889 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.420 1.140 -5.266 1.00 0.00 H new ATOM 0 HG SER A 44 13.933 0.729 -6.977 1.00 0.00 H new ATOM 142 N VAL A 45 11.026 3.293 -4.246 1.00 0.00 N ATOM 143 CA VAL A 45 9.718 3.893 -4.483 1.00 0.00 C ATOM 144 C VAL A 45 9.672 5.336 -3.988 1.00 0.00 C ATOM 145 O VAL A 45 10.611 5.814 -3.351 1.00 0.00 O ATOM 146 CB VAL A 45 8.597 3.091 -3.796 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.493 1.697 -4.395 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.833 3.018 -2.297 1.00 0.00 C ATOM 0 H VAL A 45 11.041 2.590 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 45 9.558 3.878 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 45 7.652 3.606 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.696 1.145 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.271 1.774 -5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.438 1.171 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.030 2.447 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.787 2.528 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.851 4.026 -1.882 1.00 0.00 H new ATOM 158 N GLY A 46 8.574 6.023 -4.287 1.00 0.00 N ATOM 159 CA GLY A 46 8.424 7.404 -3.866 1.00 0.00 C ATOM 160 C GLY A 46 7.336 7.579 -2.826 1.00 0.00 C ATOM 161 O GLY A 46 7.201 6.760 -1.916 1.00 0.00 O ATOM 0 H GLY A 46 7.785 5.648 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.370 7.762 -3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.195 8.022 -4.734 1.00 0.00 H new ATOM 165 N GLU A 47 6.559 8.651 -2.957 1.00 0.00 N ATOM 166 CA GLU A 47 5.479 8.930 -2.017 1.00 0.00 C ATOM 167 C GLU A 47 4.249 9.467 -2.743 1.00 0.00 C ATOM 168 O GLU A 47 4.329 9.878 -3.902 1.00 0.00 O ATOM 169 CB GLU A 47 5.940 9.936 -0.962 1.00 0.00 C ATOM 170 CG GLU A 47 5.344 9.690 0.414 1.00 0.00 C ATOM 171 CD GLU A 47 6.345 9.912 1.531 1.00 0.00 C ATOM 172 OE1 GLU A 47 7.551 9.683 1.302 1.00 0.00 O ATOM 173 OE2 GLU A 47 5.922 10.315 2.635 1.00 0.00 O ATOM 0 H GLU A 47 6.657 9.339 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 47 5.210 7.995 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.027 9.901 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.674 10.941 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.490 10.352 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.968 8.668 0.466 1.00 0.00 H new ATOM 180 N ILE A 48 3.112 9.460 -2.054 1.00 0.00 N ATOM 181 CA ILE A 48 1.864 9.948 -2.630 1.00 0.00 C ATOM 182 C ILE A 48 1.395 11.216 -1.926 1.00 0.00 C ATOM 183 O ILE A 48 1.670 11.420 -0.744 1.00 0.00 O ATOM 184 CB ILE A 48 0.750 8.885 -2.543 1.00 0.00 C ATOM 185 CG1 ILE A 48 1.270 7.527 -3.016 1.00 0.00 C ATOM 186 CG2 ILE A 48 -0.454 9.315 -3.367 1.00 0.00 C ATOM 187 CD1 ILE A 48 0.247 6.418 -2.906 1.00 0.00 C ATOM 0 H ILE A 48 3.029 9.121 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 48 2.064 10.168 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 48 0.440 8.789 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.592 7.612 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.149 7.259 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.233 8.556 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.836 10.262 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.158 9.435 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.684 5.484 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.058 6.306 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.623 6.664 -3.515 1.00 0.00 H new ATOM 199 N THR A 49 0.685 12.066 -2.661 1.00 0.00 N ATOM 200 CA THR A 49 0.178 13.314 -2.105 1.00 0.00 C ATOM 201 C THR A 49 -1.044 13.062 -1.229 1.00 0.00 C ATOM 202 O THR A 49 -1.700 12.026 -1.343 1.00 0.00 O ATOM 203 CB THR A 49 -0.178 14.291 -3.228 1.00 0.00 C ATOM 204 OG1 THR A 49 -1.050 13.682 -4.164 1.00 0.00 O ATOM 205 CG2 THR A 49 1.031 14.795 -3.988 1.00 0.00 C ATOM 0 H THR A 49 0.448 11.913 -3.641 1.00 0.00 H new ATOM 0 HA THR A 49 0.962 13.752 -1.487 1.00 0.00 H new ATOM 0 HB THR A 49 -0.656 15.137 -2.735 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.017 14.175 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.709 15.483 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.702 15.313 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.554 13.952 -4.440 1.00 0.00 H new ATOM 213 N LYS A 50 -1.347 14.017 -0.356 1.00 0.00 N ATOM 214 CA LYS A 50 -2.492 13.898 0.540 1.00 0.00 C ATOM 215 C LYS A 50 -3.795 13.838 -0.251 1.00 0.00 C ATOM 216 O LYS A 50 -4.773 13.235 0.190 1.00 0.00 O ATOM 217 CB LYS A 50 -2.527 15.077 1.515 1.00 0.00 C ATOM 218 CG LYS A 50 -2.933 14.688 2.927 1.00 0.00 C ATOM 219 CD LYS A 50 -2.359 15.648 3.956 1.00 0.00 C ATOM 220 CE LYS A 50 -3.302 15.837 5.134 1.00 0.00 C ATOM 221 NZ LYS A 50 -2.770 15.211 6.377 1.00 0.00 N ATOM 0 H LYS A 50 -0.816 14.881 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.387 12.972 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.542 15.542 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.223 15.827 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.020 14.678 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.589 13.676 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.401 15.269 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.165 16.612 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.462 16.902 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.273 15.403 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.442 15.362 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.641 14.190 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.856 15.643 6.619 1.00 0.00 H new ATOM 235 N GLU A 51 -3.802 14.469 -1.421 1.00 0.00 N ATOM 236 CA GLU A 51 -4.986 14.490 -2.272 1.00 0.00 C ATOM 237 C GLU A 51 -5.312 13.093 -2.792 1.00 0.00 C ATOM 238 O GLU A 51 -6.474 12.693 -2.834 1.00 0.00 O ATOM 239 CB GLU A 51 -4.777 15.447 -3.447 1.00 0.00 C ATOM 240 CG GLU A 51 -3.540 15.136 -4.273 1.00 0.00 C ATOM 241 CD GLU A 51 -3.430 16.009 -5.508 1.00 0.00 C ATOM 242 OE1 GLU A 51 -2.749 15.594 -6.470 1.00 0.00 O ATOM 243 OE2 GLU A 51 -4.023 17.108 -5.512 1.00 0.00 O ATOM 0 H GLU A 51 -3.001 14.973 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.826 14.838 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.654 15.412 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.703 16.466 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.652 15.272 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.562 14.088 -4.574 1.00 0.00 H new ATOM 250 N ASP A 52 -4.280 12.355 -3.189 1.00 0.00 N ATOM 251 CA ASP A 52 -4.463 11.005 -3.709 1.00 0.00 C ATOM 252 C ASP A 52 -4.830 10.033 -2.591 1.00 0.00 C ATOM 253 O ASP A 52 -5.740 9.217 -2.739 1.00 0.00 O ATOM 254 CB ASP A 52 -3.191 10.532 -4.414 1.00 0.00 C ATOM 255 CG ASP A 52 -3.212 10.820 -5.902 1.00 0.00 C ATOM 256 OD1 ASP A 52 -2.607 11.829 -6.320 1.00 0.00 O ATOM 257 OD2 ASP A 52 -3.835 10.037 -6.651 1.00 0.00 O ATOM 0 H ASP A 52 -3.310 12.669 -3.161 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.283 11.028 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.327 11.021 -3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.069 9.460 -4.256 1.00 0.00 H new ATOM 262 N LEU A 53 -4.112 10.120 -1.476 1.00 0.00 N ATOM 263 CA LEU A 53 -4.359 9.242 -0.337 1.00 0.00 C ATOM 264 C LEU A 53 -5.753 9.467 0.243 1.00 0.00 C ATOM 265 O LEU A 53 -6.375 8.539 0.760 1.00 0.00 O ATOM 266 CB LEU A 53 -3.298 9.461 0.746 1.00 0.00 C ATOM 267 CG LEU A 53 -1.851 9.216 0.305 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.930 9.141 1.515 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.748 7.943 -0.523 1.00 0.00 C ATOM 0 H LEU A 53 -3.355 10.789 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.300 8.213 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.381 10.485 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.520 8.804 1.587 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.537 10.054 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.093 8.967 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.977 10.080 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.246 8.323 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.712 7.788 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.083 7.094 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.375 8.034 -1.410 1.00 0.00 H new ATOM 281 N ILE A 54 -6.240 10.702 0.159 1.00 0.00 N ATOM 282 CA ILE A 54 -7.561 11.039 0.682 1.00 0.00 C ATOM 283 C ILE A 54 -8.635 10.121 0.099 1.00 0.00 C ATOM 284 O ILE A 54 -9.526 9.661 0.813 1.00 0.00 O ATOM 285 CB ILE A 54 -7.918 12.521 0.401 1.00 0.00 C ATOM 286 CG1 ILE A 54 -8.656 13.121 1.598 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.753 12.667 -0.868 1.00 0.00 C ATOM 288 CD1 ILE A 54 -8.670 14.634 1.601 1.00 0.00 C ATOM 0 H ILE A 54 -5.741 11.484 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.528 10.893 1.762 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.987 13.066 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.683 12.756 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.189 12.768 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.984 13.719 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.192 12.281 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.680 12.105 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.210 14.991 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.646 15.007 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.164 14.995 0.699 1.00 0.00 H new ATOM 300 N GLN A 55 -8.538 9.858 -1.199 1.00 0.00 N ATOM 301 CA GLN A 55 -9.496 8.993 -1.878 1.00 0.00 C ATOM 302 C GLN A 55 -9.344 7.554 -1.408 1.00 0.00 C ATOM 303 O GLN A 55 -10.328 6.872 -1.124 1.00 0.00 O ATOM 304 CB GLN A 55 -9.309 9.077 -3.395 1.00 0.00 C ATOM 305 CG GLN A 55 -10.599 9.346 -4.153 1.00 0.00 C ATOM 306 CD GLN A 55 -11.152 8.103 -4.822 1.00 0.00 C ATOM 307 OE1 GLN A 55 -10.486 7.481 -5.649 1.00 0.00 O ATOM 308 NE2 GLN A 55 -12.377 7.735 -4.465 1.00 0.00 N ATOM 0 H GLN A 55 -7.805 10.231 -1.803 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.501 9.334 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.593 9.867 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.876 8.142 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.344 9.746 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.420 10.111 -4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.893 8.281 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.802 6.906 -4.881 1.00 0.00 H new ATOM 317 N LYS A 56 -8.102 7.102 -1.318 1.00 0.00 N ATOM 318 CA LYS A 56 -7.815 5.747 -0.869 1.00 0.00 C ATOM 319 C LYS A 56 -8.206 5.585 0.595 1.00 0.00 C ATOM 320 O LYS A 56 -8.614 4.508 1.028 1.00 0.00 O ATOM 321 CB LYS A 56 -6.331 5.425 -1.057 1.00 0.00 C ATOM 322 CG LYS A 56 -5.745 5.966 -2.352 1.00 0.00 C ATOM 323 CD LYS A 56 -4.389 5.349 -2.651 1.00 0.00 C ATOM 324 CE LYS A 56 -3.857 5.801 -4.000 1.00 0.00 C ATOM 325 NZ LYS A 56 -2.432 5.414 -4.193 1.00 0.00 N ATOM 0 H LYS A 56 -7.276 7.654 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.400 5.051 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.771 5.834 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.197 4.343 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.429 5.761 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.646 7.049 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.682 5.625 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.471 4.262 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.463 5.364 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.954 6.883 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.930 6.176 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.987 5.256 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.383 4.540 -4.755 1.00 0.00 H new ATOM 339 N SER A 57 -8.075 6.671 1.351 1.00 0.00 N ATOM 340 CA SER A 57 -8.410 6.670 2.770 1.00 0.00 C ATOM 341 C SER A 57 -9.923 6.628 2.987 1.00 0.00 C ATOM 342 O SER A 57 -10.387 6.396 4.104 1.00 0.00 O ATOM 343 CB SER A 57 -7.823 7.906 3.454 1.00 0.00 C ATOM 344 OG SER A 57 -8.506 9.082 3.057 1.00 0.00 O ATOM 0 H SER A 57 -7.737 7.568 1.001 1.00 0.00 H new ATOM 0 HA SER A 57 -7.978 5.772 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.888 7.792 4.536 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.765 7.995 3.206 1.00 0.00 H new ATOM 0 HG SER A 57 -8.996 8.911 2.226 1.00 0.00 H new ATOM 350 N LEU A 58 -10.692 6.859 1.924 1.00 0.00 N ATOM 351 CA LEU A 58 -12.148 6.848 2.027 1.00 0.00 C ATOM 352 C LEU A 58 -12.657 5.473 2.455 1.00 0.00 C ATOM 353 O LEU A 58 -13.781 5.343 2.941 1.00 0.00 O ATOM 354 CB LEU A 58 -12.781 7.247 0.693 1.00 0.00 C ATOM 355 CG LEU A 58 -12.747 8.745 0.385 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.129 9.001 -1.065 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.673 9.502 1.324 1.00 0.00 C ATOM 0 H LEU A 58 -10.334 7.054 0.989 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.436 7.574 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.269 6.715 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.819 6.913 0.686 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.730 9.106 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.099 10.072 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.426 8.489 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.136 8.626 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.637 10.566 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.693 9.138 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.354 9.345 2.354 1.00 0.00 H new ATOM 369 N GLY A 59 -11.824 4.450 2.284 1.00 0.00 N ATOM 370 CA GLY A 59 -12.212 3.106 2.674 1.00 0.00 C ATOM 371 C GLY A 59 -12.815 2.307 1.535 1.00 0.00 C ATOM 372 O GLY A 59 -13.884 1.716 1.684 1.00 0.00 O ATOM 0 H GLY A 59 -10.889 4.528 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.338 2.579 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.932 3.165 3.490 1.00 0.00 H new ATOM 376 N THR A 60 -12.127 2.277 0.398 1.00 0.00 N ATOM 377 CA THR A 60 -12.607 1.530 -0.759 1.00 0.00 C ATOM 378 C THR A 60 -11.444 0.904 -1.525 1.00 0.00 C ATOM 379 O THR A 60 -10.406 1.536 -1.720 1.00 0.00 O ATOM 380 CB THR A 60 -13.408 2.445 -1.686 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.561 3.398 -2.305 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.508 3.203 -0.974 1.00 0.00 C ATOM 0 H THR A 60 -11.240 2.759 0.253 1.00 0.00 H new ATOM 0 HA THR A 60 -13.254 0.730 -0.400 1.00 0.00 H new ATOM 0 HB THR A 60 -13.863 1.783 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.092 3.973 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.037 3.833 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.207 2.496 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.073 3.827 -0.193 1.00 0.00 H new ATOM 390 N CYS A 61 -11.629 -0.338 -1.959 1.00 0.00 N ATOM 391 CA CYS A 61 -10.599 -1.047 -2.710 1.00 0.00 C ATOM 392 C CYS A 61 -10.711 -0.746 -4.201 1.00 0.00 C ATOM 393 O CYS A 61 -11.811 -0.656 -4.745 1.00 0.00 O ATOM 394 CB CYS A 61 -10.704 -2.555 -2.470 1.00 0.00 C ATOM 395 SG CYS A 61 -9.242 -3.486 -2.986 1.00 0.00 S ATOM 0 H CYS A 61 -12.482 -0.875 -1.804 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.627 -0.701 -2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.879 -2.732 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.573 -2.938 -3.005 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.969 -4.393 -2.096 1.00 0.00 H new ATOM 400 N GLN A 62 -9.566 -0.592 -4.856 1.00 0.00 N ATOM 401 CA GLN A 62 -9.537 -0.303 -6.285 1.00 0.00 C ATOM 402 C GLN A 62 -9.820 -1.559 -7.106 1.00 0.00 C ATOM 403 O GLN A 62 -10.279 -1.477 -8.244 1.00 0.00 O ATOM 404 CB GLN A 62 -8.181 0.285 -6.680 1.00 0.00 C ATOM 405 CG GLN A 62 -8.278 1.405 -7.702 1.00 0.00 C ATOM 406 CD GLN A 62 -7.517 2.647 -7.282 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.345 2.577 -6.912 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.183 3.795 -7.333 1.00 0.00 N ATOM 0 H GLN A 62 -8.646 -0.662 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.318 0.427 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.684 0.662 -5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.553 -0.510 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.892 1.053 -8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.326 1.661 -7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.154 3.808 -7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.724 4.664 -7.059 1.00 0.00 H new ATOM 417 N ASP A 63 -9.538 -2.721 -6.522 1.00 0.00 N ATOM 418 CA ASP A 63 -9.760 -3.991 -7.205 1.00 0.00 C ATOM 419 C ASP A 63 -11.152 -4.542 -6.908 1.00 0.00 C ATOM 420 O ASP A 63 -11.910 -4.863 -7.822 1.00 0.00 O ATOM 421 CB ASP A 63 -8.698 -5.010 -6.785 1.00 0.00 C ATOM 422 CG ASP A 63 -7.294 -4.440 -6.841 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.951 -3.620 -5.964 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.538 -4.815 -7.762 1.00 0.00 O ATOM 0 H ASP A 63 -9.156 -2.809 -5.580 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.684 -3.812 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.908 -5.352 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.759 -5.883 -7.435 1.00 0.00 H new ATOM 429 N CYS A 64 -11.479 -4.650 -5.624 1.00 0.00 N ATOM 430 CA CYS A 64 -12.780 -5.166 -5.208 1.00 0.00 C ATOM 431 C CYS A 64 -13.584 -4.095 -4.475 1.00 0.00 C ATOM 432 O CYS A 64 -13.219 -2.919 -4.482 1.00 0.00 O ATOM 433 CB CYS A 64 -12.599 -6.395 -4.314 1.00 0.00 C ATOM 434 SG CYS A 64 -11.812 -6.047 -2.722 1.00 0.00 S ATOM 0 H CYS A 64 -10.863 -4.388 -4.854 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.333 -5.455 -6.102 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.575 -6.845 -4.133 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.001 -7.134 -4.848 1.00 0.00 H new ATOM 0 HG CYS A 64 -10.876 -5.160 -2.885 1.00 0.00 H new ATOM 439 N LYS A 65 -14.679 -4.510 -3.845 1.00 0.00 N ATOM 440 CA LYS A 65 -15.534 -3.585 -3.109 1.00 0.00 C ATOM 441 C LYS A 65 -15.562 -3.931 -1.625 1.00 0.00 C ATOM 442 O LYS A 65 -16.390 -4.726 -1.178 1.00 0.00 O ATOM 443 CB LYS A 65 -16.955 -3.610 -3.677 1.00 0.00 C ATOM 444 CG LYS A 65 -17.047 -3.103 -5.107 1.00 0.00 C ATOM 445 CD LYS A 65 -17.162 -4.248 -6.101 1.00 0.00 C ATOM 446 CE LYS A 65 -18.531 -4.906 -6.036 1.00 0.00 C ATOM 447 NZ LYS A 65 -18.825 -5.697 -7.263 1.00 0.00 N ATOM 0 H LYS A 65 -14.995 -5.480 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.122 -2.582 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.336 -4.631 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.602 -3.004 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.911 -2.446 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.165 -2.506 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.984 -3.875 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.390 -4.990 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.580 -5.558 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.296 -4.141 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.767 -6.130 -7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.804 -5.071 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.110 -6.444 -7.374 1.00 0.00 H new ATOM 529 N LEU A 71 -7.311 -0.041 4.847 1.00 0.00 N ATOM 530 CA LEU A 71 -6.963 -0.308 3.457 1.00 0.00 C ATOM 531 C LEU A 71 -5.518 0.087 3.169 1.00 0.00 C ATOM 532 O LEU A 71 -5.003 1.052 3.737 1.00 0.00 O ATOM 533 CB LEU A 71 -7.908 0.444 2.518 1.00 0.00 C ATOM 534 CG LEU A 71 -9.217 -0.281 2.201 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.052 0.528 1.221 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.936 -1.669 1.646 1.00 0.00 C ATOM 0 HA LEU A 71 -7.067 -1.379 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.144 1.411 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.385 0.643 1.583 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.784 -0.389 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.979 -0.004 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.283 1.500 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.493 0.668 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.878 -2.171 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.349 -1.583 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.379 -2.249 2.382 1.00 0.00 H new ATOM 548 N TRP A 72 -4.870 -0.665 2.285 1.00 0.00 N ATOM 549 CA TRP A 72 -3.484 -0.395 1.923 1.00 0.00 C ATOM 550 C TRP A 72 -3.384 0.145 0.501 1.00 0.00 C ATOM 551 O TRP A 72 -4.216 -0.161 -0.353 1.00 0.00 O ATOM 552 CB TRP A 72 -2.643 -1.665 2.060 1.00 0.00 C ATOM 553 CG TRP A 72 -2.715 -2.280 3.424 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.837 -2.714 4.070 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.619 -2.532 4.311 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.506 -3.219 5.303 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.150 -3.119 5.475 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.240 -2.319 4.233 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.349 -3.494 6.551 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.553 -2.691 5.303 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.003 -3.274 6.447 1.00 0.00 C ATOM 0 H TRP A 72 -5.283 -1.466 1.807 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.100 0.363 2.605 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.977 -2.395 1.322 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.604 -1.431 1.829 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.839 -2.667 3.669 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.163 -3.606 5.981 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.198 -1.872 3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.776 -3.943 7.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.620 -2.529 5.255 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.644 -3.556 7.265 1.00 0.00 H new ATOM 572 N ALA A 73 -2.357 0.949 0.253 1.00 0.00 N ATOM 573 CA ALA A 73 -2.141 1.532 -1.065 1.00 0.00 C ATOM 574 C ALA A 73 -0.711 1.299 -1.537 1.00 0.00 C ATOM 575 O ALA A 73 0.236 1.420 -0.759 1.00 0.00 O ATOM 576 CB ALA A 73 -2.455 3.021 -1.042 1.00 0.00 C ATOM 0 H ALA A 73 -1.660 1.212 0.949 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.814 1.042 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.289 3.443 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.496 3.169 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.805 3.519 -0.322 1.00 0.00 H new ATOM 582 N CYS A 74 -0.559 0.965 -2.814 1.00 0.00 N ATOM 583 CA CYS A 74 0.759 0.716 -3.386 1.00 0.00 C ATOM 584 C CYS A 74 1.654 1.942 -3.235 1.00 0.00 C ATOM 585 O CYS A 74 1.293 3.043 -3.650 1.00 0.00 O ATOM 586 CB CYS A 74 0.636 0.329 -4.860 1.00 0.00 C ATOM 587 SG CYS A 74 2.193 -0.194 -5.613 1.00 0.00 S ATOM 0 H CYS A 74 -1.331 0.861 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 74 1.215 -0.112 -2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.091 -0.478 -4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.242 1.179 -5.417 1.00 0.00 H new ATOM 0 HG CYS A 74 2.335 -1.478 -5.468 1.00 0.00 H new ATOM 592 N LEU A 75 2.821 1.743 -2.629 1.00 0.00 N ATOM 593 CA LEU A 75 3.768 2.833 -2.411 1.00 0.00 C ATOM 594 C LEU A 75 4.574 3.140 -3.672 1.00 0.00 C ATOM 595 O LEU A 75 5.194 4.199 -3.775 1.00 0.00 O ATOM 596 CB LEU A 75 4.715 2.483 -1.263 1.00 0.00 C ATOM 597 CG LEU A 75 5.273 3.683 -0.495 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.253 4.191 0.513 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.575 3.312 0.197 1.00 0.00 C ATOM 0 H LEU A 75 3.134 0.837 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 75 3.195 3.724 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.188 1.836 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.549 1.907 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 75 5.479 4.484 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.666 5.045 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.346 4.496 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.015 3.397 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.958 4.177 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.395 2.496 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.306 2.997 -0.548 1.00 0.00 H new ATOM 611 N GLU A 76 4.567 2.215 -4.630 1.00 0.00 N ATOM 612 CA GLU A 76 5.304 2.404 -5.876 1.00 0.00 C ATOM 613 C GLU A 76 4.928 3.727 -6.539 1.00 0.00 C ATOM 614 O GLU A 76 3.778 3.934 -6.922 1.00 0.00 O ATOM 615 CB GLU A 76 5.034 1.243 -6.834 1.00 0.00 C ATOM 616 CG GLU A 76 5.835 1.319 -8.124 1.00 0.00 C ATOM 617 CD GLU A 76 7.002 0.352 -8.144 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.759 0.314 -7.151 1.00 0.00 O ATOM 619 OE2 GLU A 76 7.159 -0.369 -9.152 1.00 0.00 O ATOM 0 H GLU A 76 4.061 1.331 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 76 6.367 2.429 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.263 0.305 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.972 1.223 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.178 1.108 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.207 2.335 -8.257 1.00 0.00 H new ATOM 626 N ASN A 77 5.906 4.619 -6.667 1.00 0.00 N ATOM 627 CA ASN A 77 5.678 5.925 -7.279 1.00 0.00 C ATOM 628 C ASN A 77 5.097 5.781 -8.681 1.00 0.00 C ATOM 629 O ASN A 77 4.251 6.573 -9.098 1.00 0.00 O ATOM 630 CB ASN A 77 6.984 6.719 -7.335 1.00 0.00 C ATOM 631 CG ASN A 77 6.792 8.114 -7.870 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.680 8.524 -8.200 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.886 8.852 -7.956 1.00 0.00 N ATOM 0 H ASN A 77 6.864 4.462 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 77 4.957 6.463 -6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.415 6.773 -6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.701 6.189 -7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.830 9.807 -8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.786 8.466 -7.669 1.00 0.00 H new ATOM 640 N ARG A 78 5.557 4.767 -9.403 1.00 0.00 N ATOM 641 CA ARG A 78 5.084 4.519 -10.761 1.00 0.00 C ATOM 642 C ARG A 78 3.700 3.874 -10.752 1.00 0.00 C ATOM 643 O ARG A 78 2.967 3.946 -11.738 1.00 0.00 O ATOM 644 CB ARG A 78 6.075 3.624 -11.510 1.00 0.00 C ATOM 645 CG ARG A 78 6.724 4.303 -12.706 1.00 0.00 C ATOM 646 CD ARG A 78 8.095 4.856 -12.357 1.00 0.00 C ATOM 647 NE ARG A 78 8.826 5.298 -13.542 1.00 0.00 N ATOM 648 CZ ARG A 78 9.901 6.081 -13.501 1.00 0.00 C ATOM 649 NH1 ARG A 78 10.374 6.510 -12.338 1.00 0.00 N ATOM 650 NH2 ARG A 78 10.506 6.437 -14.627 1.00 0.00 N ATOM 0 H ARG A 78 6.257 4.103 -9.072 1.00 0.00 H new ATOM 0 HA ARG A 78 5.009 5.478 -11.274 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.854 3.301 -10.819 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.557 2.727 -11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.816 3.589 -13.525 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.083 5.112 -13.058 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.983 5.693 -11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.673 4.091 -11.839 1.00 0.00 H new ATOM 0 HE ARG A 78 8.493 4.988 -14.455 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.913 6.240 -11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.198 7.110 -12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.147 6.110 -15.524 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.330 7.037 -14.595 1.00 0.00 H new ATOM 664 N CYS A 79 3.349 3.241 -9.636 1.00 0.00 N ATOM 665 CA CYS A 79 2.055 2.582 -9.507 1.00 0.00 C ATOM 666 C CYS A 79 1.086 3.430 -8.689 1.00 0.00 C ATOM 667 O CYS A 79 1.493 4.181 -7.803 1.00 0.00 O ATOM 668 CB CYS A 79 2.224 1.211 -8.851 1.00 0.00 C ATOM 669 SG CYS A 79 1.009 -0.018 -9.381 1.00 0.00 S ATOM 0 H CYS A 79 3.943 3.171 -8.809 1.00 0.00 H new ATOM 0 HA CYS A 79 1.641 2.455 -10.507 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.223 0.836 -9.071 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.158 1.328 -7.769 1.00 0.00 H new ATOM 0 HG CYS A 79 0.931 -0.963 -8.491 1.00 0.00 H new ATOM 674 N SER A 80 -0.202 3.298 -8.990 1.00 0.00 N ATOM 675 CA SER A 80 -1.236 4.044 -8.283 1.00 0.00 C ATOM 676 C SER A 80 -2.491 3.192 -8.122 1.00 0.00 C ATOM 677 O SER A 80 -3.525 3.467 -8.729 1.00 0.00 O ATOM 678 CB SER A 80 -1.570 5.334 -9.034 1.00 0.00 C ATOM 679 OG SER A 80 -0.818 6.426 -8.531 1.00 0.00 O ATOM 0 H SER A 80 -0.555 2.680 -9.721 1.00 0.00 H new ATOM 0 HA SER A 80 -0.859 4.302 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.363 5.204 -10.096 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.635 5.548 -8.941 1.00 0.00 H new ATOM 0 HG SER A 80 -1.048 7.238 -9.028 1.00 0.00 H new ATOM 685 N TYR A 81 -2.387 2.149 -7.304 1.00 0.00 N ATOM 686 CA TYR A 81 -3.508 1.248 -7.070 1.00 0.00 C ATOM 687 C TYR A 81 -3.775 1.072 -5.579 1.00 0.00 C ATOM 688 O TYR A 81 -2.856 1.124 -4.761 1.00 0.00 O ATOM 689 CB TYR A 81 -3.229 -0.114 -7.708 1.00 0.00 C ATOM 690 CG TYR A 81 -3.445 -0.136 -9.204 1.00 0.00 C ATOM 691 CD1 TYR A 81 -4.623 -0.634 -9.747 1.00 0.00 C ATOM 692 CD2 TYR A 81 -2.472 0.339 -10.073 1.00 0.00 C ATOM 693 CE1 TYR A 81 -4.824 -0.656 -11.114 1.00 0.00 C ATOM 694 CE2 TYR A 81 -2.666 0.320 -11.441 1.00 0.00 C ATOM 695 CZ TYR A 81 -3.843 -0.178 -11.957 1.00 0.00 C ATOM 696 OH TYR A 81 -4.039 -0.199 -13.318 1.00 0.00 O ATOM 0 H TYR A 81 -1.538 1.908 -6.793 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.394 1.690 -7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.200 -0.403 -7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.873 -0.862 -7.245 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.394 -1.010 -9.090 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.548 0.730 -9.673 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.746 -1.046 -11.520 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.899 0.694 -12.103 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.252 0.174 -13.768 1.00 0.00 H new ATOM 706 N VAL A 82 -5.040 0.858 -5.234 1.00 0.00 N ATOM 707 CA VAL A 82 -5.435 0.667 -3.844 1.00 0.00 C ATOM 708 C VAL A 82 -5.901 -0.766 -3.604 1.00 0.00 C ATOM 709 O VAL A 82 -6.740 -1.286 -4.338 1.00 0.00 O ATOM 710 CB VAL A 82 -6.565 1.632 -3.438 1.00 0.00 C ATOM 711 CG1 VAL A 82 -6.770 1.611 -1.930 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.264 3.043 -3.923 1.00 0.00 C ATOM 0 H VAL A 82 -5.811 0.812 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.556 0.875 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.489 1.299 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.572 2.299 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.036 0.603 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.849 1.917 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.074 3.710 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.329 3.388 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.173 3.043 -5.009 1.00 0.00 H new ATOM 722 N GLY A 83 -5.349 -1.400 -2.576 1.00 0.00 N ATOM 723 CA GLY A 83 -5.721 -2.768 -2.265 1.00 0.00 C ATOM 724 C GLY A 83 -5.979 -2.984 -0.787 1.00 0.00 C ATOM 725 O GLY A 83 -5.622 -2.147 0.043 1.00 0.00 O ATOM 0 H GLY A 83 -4.652 -0.992 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.616 -3.034 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.927 -3.439 -2.593 1.00 0.00 H new ATOM 729 N CYS A 84 -6.600 -4.111 -0.457 1.00 0.00 N ATOM 730 CA CYS A 84 -6.903 -4.439 0.932 1.00 0.00 C ATOM 731 C CYS A 84 -5.930 -5.485 1.467 1.00 0.00 C ATOM 732 O CYS A 84 -5.534 -6.405 0.749 1.00 0.00 O ATOM 733 CB CYS A 84 -8.342 -4.944 1.061 1.00 0.00 C ATOM 734 SG CYS A 84 -8.800 -6.208 -0.148 1.00 0.00 S ATOM 0 H CYS A 84 -6.904 -4.813 -1.132 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.794 -3.531 1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.484 -5.349 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.022 -4.098 0.960 1.00 0.00 H new ATOM 0 HG CYS A 84 -9.841 -5.811 -0.818 1.00 0.00 H new ATOM 739 N GLY A 85 -5.543 -5.332 2.730 1.00 0.00 N ATOM 740 CA GLY A 85 -4.612 -6.264 3.342 1.00 0.00 C ATOM 741 C GLY A 85 -5.224 -7.628 3.594 1.00 0.00 C ATOM 742 O GLY A 85 -6.341 -7.908 3.158 1.00 0.00 O ATOM 0 H GLY A 85 -5.858 -4.579 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.741 -6.376 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.259 -5.850 4.286 1.00 0.00 H new ATOM 746 N GLU A 86 -4.485 -8.479 4.301 1.00 0.00 N ATOM 747 CA GLU A 86 -4.949 -9.825 4.615 1.00 0.00 C ATOM 748 C GLU A 86 -6.262 -9.793 5.397 1.00 0.00 C ATOM 749 O GLU A 86 -6.993 -10.782 5.437 1.00 0.00 O ATOM 750 CB GLU A 86 -3.883 -10.578 5.416 1.00 0.00 C ATOM 751 CG GLU A 86 -3.519 -11.930 4.824 1.00 0.00 C ATOM 752 CD GLU A 86 -3.442 -13.024 5.871 1.00 0.00 C ATOM 753 OE1 GLU A 86 -4.497 -13.378 6.438 1.00 0.00 O ATOM 754 OE2 GLU A 86 -2.327 -13.526 6.123 1.00 0.00 O ATOM 0 H GLU A 86 -3.559 -8.258 4.668 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.128 -10.345 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.985 -9.964 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.241 -10.722 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.259 -12.204 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.559 -11.852 4.314 1.00 0.00 H new ATOM 761 N SER A 87 -6.555 -8.654 6.018 1.00 0.00 N ATOM 762 CA SER A 87 -7.779 -8.504 6.796 1.00 0.00 C ATOM 763 C SER A 87 -9.015 -8.669 5.915 1.00 0.00 C ATOM 764 O SER A 87 -10.112 -8.920 6.412 1.00 0.00 O ATOM 765 CB SER A 87 -7.807 -7.138 7.483 1.00 0.00 C ATOM 766 OG SER A 87 -6.578 -6.867 8.132 1.00 0.00 O ATOM 0 H SER A 87 -5.963 -7.824 5.997 1.00 0.00 H new ATOM 0 HA SER A 87 -7.792 -9.287 7.555 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.011 -6.361 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.619 -7.110 8.209 1.00 0.00 H new ATOM 0 HG SER A 87 -6.622 -5.987 8.562 1.00 0.00 H new ATOM 772 N GLN A 88 -8.832 -8.527 4.604 1.00 0.00 N ATOM 773 CA GLN A 88 -9.937 -8.663 3.662 1.00 0.00 C ATOM 774 C GLN A 88 -9.654 -9.765 2.645 1.00 0.00 C ATOM 775 O GLN A 88 -10.313 -10.805 2.645 1.00 0.00 O ATOM 776 CB GLN A 88 -10.185 -7.337 2.941 1.00 0.00 C ATOM 777 CG GLN A 88 -10.383 -6.162 3.885 1.00 0.00 C ATOM 778 CD GLN A 88 -11.787 -5.593 3.824 1.00 0.00 C ATOM 779 OE1 GLN A 88 -11.975 -4.377 3.776 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.783 -6.471 3.826 1.00 0.00 N ATOM 0 H GLN A 88 -7.932 -8.319 4.172 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.830 -8.935 4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.341 -7.127 2.284 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.066 -7.436 2.307 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.168 -6.481 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.667 -5.378 3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.582 -7.470 3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.749 -6.146 3.787 1.00 0.00 H new ATOM 789 N VAL A 89 -8.674 -9.531 1.777 1.00 0.00 N ATOM 790 CA VAL A 89 -8.312 -10.510 0.756 1.00 0.00 C ATOM 791 C VAL A 89 -6.820 -10.466 0.433 1.00 0.00 C ATOM 792 O VAL A 89 -6.388 -10.970 -0.604 1.00 0.00 O ATOM 793 CB VAL A 89 -9.110 -10.284 -0.545 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.961 -11.477 -1.479 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.576 -10.017 -0.236 1.00 0.00 C ATOM 0 H VAL A 89 -8.118 -8.676 1.760 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.557 -11.489 1.167 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.705 -9.406 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.531 -11.299 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.909 -11.614 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.336 -12.374 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.121 -9.860 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.998 -10.872 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.660 -9.127 0.388 1.00 0.00 H new ATOM 805 N ASP A 90 -6.031 -9.865 1.323 1.00 0.00 N ATOM 806 CA ASP A 90 -4.586 -9.763 1.125 1.00 0.00 C ATOM 807 C ASP A 90 -4.255 -9.285 -0.287 1.00 0.00 C ATOM 808 O ASP A 90 -3.217 -9.642 -0.848 1.00 0.00 O ATOM 809 CB ASP A 90 -3.920 -11.116 1.384 1.00 0.00 C ATOM 810 CG ASP A 90 -2.542 -10.973 2.002 1.00 0.00 C ATOM 811 OD1 ASP A 90 -2.327 -10.000 2.755 1.00 0.00 O ATOM 812 OD2 ASP A 90 -1.678 -11.834 1.732 1.00 0.00 O ATOM 0 H ASP A 90 -6.368 -9.442 2.188 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.201 -9.030 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.552 -11.708 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.839 -11.664 0.445 1.00 0.00 H new ATOM 817 N HIS A 91 -5.140 -8.471 -0.852 1.00 0.00 N ATOM 818 CA HIS A 91 -4.944 -7.939 -2.196 1.00 0.00 C ATOM 819 C HIS A 91 -3.595 -7.239 -2.308 1.00 0.00 C ATOM 820 O HIS A 91 -2.920 -7.330 -3.333 1.00 0.00 O ATOM 821 CB HIS A 91 -6.071 -6.968 -2.552 1.00 0.00 C ATOM 822 CG HIS A 91 -7.167 -7.592 -3.358 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.417 -7.028 -3.425 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.151 -8.724 -4.103 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.131 -7.821 -4.203 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.406 -8.863 -4.638 1.00 0.00 N ATOM 0 H HIS A 91 -6.001 -8.165 -0.400 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.960 -8.772 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.493 -6.562 -1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.654 -6.129 -3.109 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -8.730 -6.172 -2.968 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.312 -9.388 -4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.167 -7.652 -4.457 1.00 0.00 H new ATOM 834 N SER A 92 -3.207 -6.546 -1.243 1.00 0.00 N ATOM 835 CA SER A 92 -1.933 -5.838 -1.221 1.00 0.00 C ATOM 836 C SER A 92 -0.778 -6.807 -1.452 1.00 0.00 C ATOM 837 O SER A 92 0.201 -6.477 -2.123 1.00 0.00 O ATOM 838 CB SER A 92 -1.752 -5.111 0.114 1.00 0.00 C ATOM 839 OG SER A 92 -1.827 -3.706 -0.056 1.00 0.00 O ATOM 0 H SER A 92 -3.754 -6.460 -0.387 1.00 0.00 H new ATOM 0 HA SER A 92 -1.935 -5.102 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.519 -5.437 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.788 -5.377 0.549 1.00 0.00 H new ATOM 0 HG SER A 92 -1.063 -3.282 0.387 1.00 0.00 H new ATOM 845 N THR A 93 -0.903 -8.009 -0.898 1.00 0.00 N ATOM 846 CA THR A 93 0.127 -9.028 -1.049 1.00 0.00 C ATOM 847 C THR A 93 0.148 -9.561 -2.476 1.00 0.00 C ATOM 848 O THR A 93 1.200 -9.620 -3.114 1.00 0.00 O ATOM 849 CB THR A 93 -0.109 -10.174 -0.063 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.239 -9.680 1.258 1.00 0.00 O ATOM 851 CG2 THR A 93 1.003 -11.201 -0.062 1.00 0.00 C ATOM 0 H THR A 93 -1.707 -8.300 -0.341 1.00 0.00 H new ATOM 0 HA THR A 93 1.094 -8.573 -0.834 1.00 0.00 H new ATOM 0 HB THR A 93 -1.028 -10.657 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.180 -8.796 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.773 -11.986 0.659 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.096 -11.638 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.942 -10.720 0.212 1.00 0.00 H new ATOM 859 N ILE A 94 -1.024 -9.938 -2.980 1.00 0.00 N ATOM 860 CA ILE A 94 -1.130 -10.455 -4.340 1.00 0.00 C ATOM 861 C ILE A 94 -0.603 -9.435 -5.337 1.00 0.00 C ATOM 862 O ILE A 94 0.231 -9.751 -6.186 1.00 0.00 O ATOM 863 CB ILE A 94 -2.585 -10.813 -4.716 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.299 -11.482 -3.538 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.602 -11.715 -5.942 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.646 -12.076 -3.896 1.00 0.00 C ATOM 0 H ILE A 94 -1.907 -9.896 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.531 -11.365 -4.378 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.120 -9.894 -4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.660 -12.269 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.436 -10.748 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.632 -11.961 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.133 -11.199 -6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.053 -12.632 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.090 -12.531 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.303 -11.290 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.516 -12.835 -4.668 1.00 0.00 H new ATOM 878 N HIS A 95 -1.086 -8.202 -5.218 1.00 0.00 N ATOM 879 CA HIS A 95 -0.653 -7.126 -6.100 1.00 0.00 C ATOM 880 C HIS A 95 0.856 -6.932 -5.987 1.00 0.00 C ATOM 881 O HIS A 95 1.538 -6.685 -6.982 1.00 0.00 O ATOM 882 CB HIS A 95 -1.380 -5.823 -5.752 1.00 0.00 C ATOM 883 CG HIS A 95 -0.851 -4.623 -6.479 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.546 -3.950 -7.459 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.336 -3.977 -6.351 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.778 -2.940 -7.888 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.375 -2.911 -7.246 1.00 0.00 N ATOM 0 H HIS A 95 -1.776 -7.924 -4.520 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.899 -7.397 -7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.440 -5.937 -5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.302 -5.650 -4.679 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.480 -4.180 -7.798 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.125 -4.247 -5.664 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.065 -2.240 -8.659 1.00 0.00 H new ATOM 895 N SER A 96 1.369 -7.051 -4.766 1.00 0.00 N ATOM 896 CA SER A 96 2.795 -6.896 -4.519 1.00 0.00 C ATOM 897 C SER A 96 3.600 -7.895 -5.345 1.00 0.00 C ATOM 898 O SER A 96 4.620 -7.550 -5.933 1.00 0.00 O ATOM 899 CB SER A 96 3.100 -7.080 -3.029 1.00 0.00 C ATOM 900 OG SER A 96 4.462 -7.411 -2.820 1.00 0.00 O ATOM 0 H SER A 96 0.816 -7.254 -3.933 1.00 0.00 H new ATOM 0 HA SER A 96 3.084 -5.889 -4.818 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.859 -6.163 -2.490 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.465 -7.866 -2.620 1.00 0.00 H new ATOM 0 HG SER A 96 4.657 -7.402 -1.860 1.00 0.00 H new ATOM 906 N GLN A 97 3.140 -9.138 -5.388 1.00 0.00 N ATOM 907 CA GLN A 97 3.835 -10.168 -6.150 1.00 0.00 C ATOM 908 C GLN A 97 3.691 -9.930 -7.651 1.00 0.00 C ATOM 909 O GLN A 97 4.674 -9.963 -8.393 1.00 0.00 O ATOM 910 CB GLN A 97 3.296 -11.553 -5.786 1.00 0.00 C ATOM 911 CG GLN A 97 3.844 -12.091 -4.473 1.00 0.00 C ATOM 912 CD GLN A 97 3.258 -11.386 -3.266 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.380 -11.918 -2.587 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.742 -10.180 -2.992 1.00 0.00 N ATOM 0 H GLN A 97 2.297 -9.456 -4.910 1.00 0.00 H new ATOM 0 HA GLN A 97 4.894 -10.119 -5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.209 -11.507 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.541 -12.251 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.632 -13.158 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.928 -11.980 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.470 -9.777 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.386 -9.657 -2.192 1.00 0.00 H new ATOM 923 N GLU A 98 2.459 -9.694 -8.092 1.00 0.00 N ATOM 924 CA GLU A 98 2.172 -9.459 -9.506 1.00 0.00 C ATOM 925 C GLU A 98 3.099 -8.406 -10.114 1.00 0.00 C ATOM 926 O GLU A 98 3.666 -8.617 -11.186 1.00 0.00 O ATOM 927 CB GLU A 98 0.715 -9.027 -9.682 1.00 0.00 C ATOM 928 CG GLU A 98 -0.288 -10.084 -9.252 1.00 0.00 C ATOM 929 CD GLU A 98 -0.397 -11.224 -10.246 1.00 0.00 C ATOM 930 OE1 GLU A 98 -0.399 -12.394 -9.810 1.00 0.00 O ATOM 931 OE2 GLU A 98 -0.480 -10.946 -11.461 1.00 0.00 O ATOM 0 H GLU A 98 1.638 -9.660 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 98 2.345 -10.398 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.542 -8.118 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.542 -8.778 -10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.003 -10.481 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.267 -9.621 -9.127 1.00 0.00 H new ATOM 938 N THR A 99 3.240 -7.272 -9.436 1.00 0.00 N ATOM 939 CA THR A 99 4.091 -6.191 -9.933 1.00 0.00 C ATOM 940 C THR A 99 5.404 -6.103 -9.160 1.00 0.00 C ATOM 941 O THR A 99 6.147 -5.133 -9.301 1.00 0.00 O ATOM 942 CB THR A 99 3.352 -4.856 -9.843 1.00 0.00 C ATOM 943 OG1 THR A 99 2.901 -4.622 -8.521 1.00 0.00 O ATOM 944 CG2 THR A 99 2.151 -4.773 -10.760 1.00 0.00 C ATOM 0 H THR A 99 2.781 -7.076 -8.547 1.00 0.00 H new ATOM 0 HA THR A 99 4.327 -6.412 -10.974 1.00 0.00 H new ATOM 0 HB THR A 99 4.077 -4.103 -10.153 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.770 -3.660 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.673 -3.800 -10.646 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.473 -4.900 -11.794 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.441 -5.559 -10.502 1.00 0.00 H new ATOM 952 N LYS A 100 5.692 -7.113 -8.347 1.00 0.00 N ATOM 953 CA LYS A 100 6.921 -7.128 -7.562 1.00 0.00 C ATOM 954 C LYS A 100 7.016 -5.901 -6.654 1.00 0.00 C ATOM 955 O LYS A 100 8.104 -5.528 -6.215 1.00 0.00 O ATOM 956 CB LYS A 100 8.138 -7.185 -8.487 1.00 0.00 C ATOM 957 CG LYS A 100 8.564 -8.600 -8.846 1.00 0.00 C ATOM 958 CD LYS A 100 10.073 -8.705 -8.995 1.00 0.00 C ATOM 959 CE LYS A 100 10.530 -8.268 -10.377 1.00 0.00 C ATOM 960 NZ LYS A 100 11.746 -7.410 -10.315 1.00 0.00 N ATOM 0 H LYS A 100 5.094 -7.929 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 100 6.904 -8.017 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.914 -6.639 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.973 -6.674 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.224 -9.291 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.083 -8.901 -9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.558 -8.088 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.386 -9.734 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.737 -9.148 -10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.725 -7.722 -10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.025 -7.133 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.541 -6.558 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.522 -7.939 -9.868 1.00 0.00 H new ATOM 974 N HIS A 101 5.871 -5.291 -6.358 1.00 0.00 N ATOM 975 CA HIS A 101 5.827 -4.125 -5.483 1.00 0.00 C ATOM 976 C HIS A 101 5.716 -4.572 -4.029 1.00 0.00 C ATOM 977 O HIS A 101 4.624 -4.863 -3.542 1.00 0.00 O ATOM 978 CB HIS A 101 4.641 -3.226 -5.845 1.00 0.00 C ATOM 979 CG HIS A 101 4.680 -2.710 -7.251 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.588 -2.106 -7.824 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.694 -2.733 -8.149 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.958 -1.775 -9.048 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.228 -2.135 -9.290 1.00 0.00 N ATOM 0 H HIS A 101 4.961 -5.586 -6.712 1.00 0.00 H new ATOM 0 HA HIS A 101 6.747 -3.556 -5.615 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.716 -3.784 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.615 -2.380 -5.158 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.678 -1.946 -7.393 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.681 -3.144 -7.995 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.320 -1.278 -9.763 1.00 0.00 H new ATOM 991 N TYR A 102 6.853 -4.640 -3.346 1.00 0.00 N ATOM 992 CA TYR A 102 6.883 -5.071 -1.951 1.00 0.00 C ATOM 993 C TYR A 102 6.656 -3.906 -0.989 1.00 0.00 C ATOM 994 O TYR A 102 6.844 -4.049 0.218 1.00 0.00 O ATOM 995 CB TYR A 102 8.221 -5.739 -1.636 1.00 0.00 C ATOM 996 CG TYR A 102 8.679 -6.713 -2.696 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.790 -6.441 -3.483 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.999 -7.906 -2.910 1.00 0.00 C ATOM 999 CE1 TYR A 102 10.212 -7.330 -4.454 1.00 0.00 C ATOM 1000 CE2 TYR A 102 8.414 -8.800 -3.877 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.521 -8.508 -4.647 1.00 0.00 C ATOM 1002 OH TYR A 102 9.937 -9.396 -5.611 1.00 0.00 O ATOM 0 H TYR A 102 7.766 -4.403 -3.734 1.00 0.00 H new ATOM 0 HA TYR A 102 6.071 -5.785 -1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.981 -4.968 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.140 -6.264 -0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.334 -5.520 -3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 102 7.131 -8.138 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.078 -7.103 -5.058 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.875 -9.723 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 102 9.342 -10.175 -5.617 1.00 0.00 H new ATOM 1012 N LEU A 103 6.254 -2.756 -1.521 1.00 0.00 N ATOM 1013 CA LEU A 103 6.013 -1.584 -0.689 1.00 0.00 C ATOM 1014 C LEU A 103 4.524 -1.267 -0.613 1.00 0.00 C ATOM 1015 O LEU A 103 3.891 -0.955 -1.622 1.00 0.00 O ATOM 1016 CB LEU A 103 6.778 -0.377 -1.232 1.00 0.00 C ATOM 1017 CG LEU A 103 8.300 -0.469 -1.107 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.708 -0.586 0.351 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.831 -1.648 -1.907 1.00 0.00 C ATOM 0 H LEU A 103 6.089 -2.612 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 103 6.370 -1.806 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.522 -0.246 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.438 0.516 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 103 8.735 0.444 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.794 -0.650 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.361 0.291 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.263 -1.482 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.915 -1.697 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.389 -2.571 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.570 -1.522 -2.958 1.00 0.00 H new ATOM 1031 N THR A 104 3.972 -1.346 0.592 1.00 0.00 N ATOM 1032 CA THR A 104 2.556 -1.066 0.806 1.00 0.00 C ATOM 1033 C THR A 104 2.357 -0.234 2.067 1.00 0.00 C ATOM 1034 O THR A 104 2.881 -0.568 3.127 1.00 0.00 O ATOM 1035 CB THR A 104 1.766 -2.372 0.908 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.393 -2.110 1.140 1.00 0.00 O ATOM 1037 CG2 THR A 104 2.254 -3.282 2.014 1.00 0.00 C ATOM 0 H THR A 104 4.483 -1.602 1.437 1.00 0.00 H new ATOM 0 HA THR A 104 2.187 -0.496 -0.047 1.00 0.00 H new ATOM 0 HB THR A 104 1.916 -2.876 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.142 -1.269 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.651 -4.190 2.031 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.297 -3.543 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.166 -2.770 2.972 1.00 0.00 H new ATOM 1045 N VAL A 105 1.601 0.853 1.948 1.00 0.00 N ATOM 1046 CA VAL A 105 1.349 1.729 3.086 1.00 0.00 C ATOM 1047 C VAL A 105 -0.140 1.832 3.395 1.00 0.00 C ATOM 1048 O VAL A 105 -0.932 2.264 2.557 1.00 0.00 O ATOM 1049 CB VAL A 105 1.911 3.144 2.840 1.00 0.00 C ATOM 1050 CG1 VAL A 105 1.232 3.793 1.643 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.755 4.008 4.082 1.00 0.00 C ATOM 0 H VAL A 105 1.154 1.147 1.079 1.00 0.00 H new ATOM 0 HA VAL A 105 1.859 1.284 3.940 1.00 0.00 H new ATOM 0 HB VAL A 105 2.975 3.054 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.644 4.790 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.405 3.187 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.161 3.868 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.158 5.002 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.699 4.089 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.297 3.554 4.912 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.513 1.442 4.611 1.00 0.00 N ATOM 1062 CA ASN A 106 -1.906 1.499 5.039 1.00 0.00 C ATOM 1063 C ASN A 106 -2.334 2.946 5.256 1.00 0.00 C ATOM 1064 O ASN A 106 -1.755 3.657 6.072 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.109 0.692 6.325 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.026 0.951 7.355 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -0.969 2.024 7.955 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.160 -0.033 7.562 1.00 0.00 N ATOM 0 H ASN A 106 0.130 1.083 5.317 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.524 1.062 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.080 0.939 6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.128 -0.371 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.591 0.084 8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.246 -0.906 7.041 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.345 3.377 4.510 1.00 0.00 N ATOM 1076 CA LEU A 107 -3.843 4.745 4.614 1.00 0.00 C ATOM 1077 C LEU A 107 -4.614 4.969 5.915 1.00 0.00 C ATOM 1078 O LEU A 107 -4.880 6.108 6.298 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.739 5.068 3.417 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.237 4.533 2.073 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.318 3.716 1.383 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -3.779 5.677 1.180 1.00 0.00 C ATOM 0 H LEU A 107 -3.836 2.800 3.827 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.981 5.412 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.733 4.661 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.846 6.150 3.344 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.384 3.881 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.941 3.345 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.597 2.873 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.192 4.343 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.426 5.278 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.613 6.355 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.970 6.219 1.669 1.00 0.00 H new ATOM 1094 N THR A 108 -4.983 3.881 6.584 1.00 0.00 N ATOM 1095 CA THR A 108 -5.734 3.970 7.832 1.00 0.00 C ATOM 1096 C THR A 108 -4.822 4.237 9.027 1.00 0.00 C ATOM 1097 O THR A 108 -5.244 4.837 10.015 1.00 0.00 O ATOM 1098 CB THR A 108 -6.530 2.685 8.056 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.970 2.150 6.821 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.747 2.877 8.933 1.00 0.00 C ATOM 0 H THR A 108 -4.775 2.929 6.284 1.00 0.00 H new ATOM 0 HA THR A 108 -6.419 4.813 7.746 1.00 0.00 H new ATOM 0 HB THR A 108 -5.845 2.005 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.691 1.213 6.753 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.265 1.925 9.050 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.436 3.244 9.911 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.418 3.601 8.471 1.00 0.00 H new ATOM 1108 N THR A 109 -3.575 3.783 8.940 1.00 0.00 N ATOM 1109 CA THR A 109 -2.620 3.974 10.029 1.00 0.00 C ATOM 1110 C THR A 109 -1.410 4.798 9.586 1.00 0.00 C ATOM 1111 O THR A 109 -0.578 5.180 10.409 1.00 0.00 O ATOM 1112 CB THR A 109 -2.152 2.620 10.568 1.00 0.00 C ATOM 1113 OG1 THR A 109 -3.052 1.592 10.194 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.024 2.590 12.075 1.00 0.00 C ATOM 0 H THR A 109 -3.203 3.283 8.132 1.00 0.00 H new ATOM 0 HA THR A 109 -3.132 4.525 10.818 1.00 0.00 H new ATOM 0 HB THR A 109 -1.166 2.460 10.131 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.734 0.735 10.547 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.689 1.603 12.392 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.299 3.339 12.394 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.992 2.807 12.527 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.310 5.067 8.288 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.197 5.842 7.753 1.00 0.00 C ATOM 1124 C LEU A 110 1.130 5.133 8.015 1.00 0.00 C ATOM 1125 O LEU A 110 2.161 5.777 8.216 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.178 7.243 8.370 1.00 0.00 C ATOM 1127 CG LEU A 110 -0.917 8.313 7.565 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -0.849 9.657 8.274 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -0.337 8.417 6.162 1.00 0.00 C ATOM 0 H LEU A 110 -1.986 4.760 7.588 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.332 5.934 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.617 7.191 9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.859 7.555 8.495 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.964 8.022 7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.380 10.406 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.311 9.573 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.193 9.957 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.874 9.183 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.718 8.685 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.439 7.458 5.654 1.00 0.00 H new ATOM 1141 N ARG A 111 1.095 3.804 8.012 1.00 0.00 N ATOM 1142 CA ARG A 111 2.290 3.004 8.249 1.00 0.00 C ATOM 1143 C ARG A 111 2.676 2.217 6.999 1.00 0.00 C ATOM 1144 O ARG A 111 1.822 1.626 6.339 1.00 0.00 O ATOM 1145 CB ARG A 111 2.062 2.045 9.419 1.00 0.00 C ATOM 1146 CG ARG A 111 2.227 2.696 10.782 1.00 0.00 C ATOM 1147 CD ARG A 111 2.075 1.682 11.906 1.00 0.00 C ATOM 1148 NE ARG A 111 1.326 2.226 13.036 1.00 0.00 N ATOM 1149 CZ ARG A 111 1.853 3.032 13.956 1.00 0.00 C ATOM 1150 NH1 ARG A 111 3.128 3.393 13.880 1.00 0.00 N ATOM 1151 NH2 ARG A 111 1.101 3.480 14.952 1.00 0.00 N ATOM 0 H ARG A 111 0.249 3.258 7.848 1.00 0.00 H new ATOM 0 HA ARG A 111 3.107 3.681 8.496 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.058 1.627 9.345 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.761 1.212 9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.208 3.167 10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.486 3.487 10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.567 0.795 11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.062 1.365 12.244 1.00 0.00 H new ATOM 0 HE ARG A 111 0.342 1.974 13.126 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.710 3.053 13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.526 4.011 14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.120 3.207 15.013 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.504 4.097 15.657 1.00 0.00 H new ATOM 1165 N VAL A 112 3.967 2.216 6.679 1.00 0.00 N ATOM 1166 CA VAL A 112 4.464 1.504 5.507 1.00 0.00 C ATOM 1167 C VAL A 112 4.950 0.105 5.874 1.00 0.00 C ATOM 1168 O VAL A 112 5.410 -0.130 6.991 1.00 0.00 O ATOM 1169 CB VAL A 112 5.613 2.271 4.826 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.961 1.635 3.489 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.246 3.737 4.650 1.00 0.00 C ATOM 0 H VAL A 112 4.687 2.700 7.215 1.00 0.00 H new ATOM 0 HA VAL A 112 3.628 1.424 4.812 1.00 0.00 H new ATOM 0 HB VAL A 112 6.493 2.216 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.775 2.190 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.271 0.602 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.087 1.656 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.070 4.263 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.352 3.817 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.053 4.183 5.625 1.00 0.00 H new ATOM 1181 N TRP A 113 4.842 -0.820 4.925 1.00 0.00 N ATOM 1182 CA TRP A 113 5.267 -2.198 5.144 1.00 0.00 C ATOM 1183 C TRP A 113 6.126 -2.698 3.986 1.00 0.00 C ATOM 1184 O TRP A 113 5.882 -2.363 2.825 1.00 0.00 O ATOM 1185 CB TRP A 113 4.049 -3.108 5.324 1.00 0.00 C ATOM 1186 CG TRP A 113 4.406 -4.554 5.497 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.435 -5.512 4.525 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.785 -5.204 6.715 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.811 -6.718 5.064 1.00 0.00 N ATOM 1190 CE2 TRP A 113 5.031 -6.556 6.407 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.942 -4.775 8.036 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.424 -7.480 7.372 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.332 -5.694 8.993 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.570 -7.032 8.657 1.00 0.00 C ATOM 0 H TRP A 113 4.463 -0.639 3.995 1.00 0.00 H new ATOM 0 HA TRP A 113 5.869 -2.224 6.053 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.481 -2.775 6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.396 -3.004 4.458 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.197 -5.346 3.485 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.910 -7.592 4.548 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.762 -3.745 8.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.607 -8.513 7.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.455 -5.374 10.017 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.875 -7.725 9.427 1.00 0.00 H new ATOM 1205 N CYS A 114 7.132 -3.503 4.319 1.00 0.00 N ATOM 1206 CA CYS A 114 8.039 -4.063 3.321 1.00 0.00 C ATOM 1207 C CYS A 114 7.949 -5.590 3.304 1.00 0.00 C ATOM 1208 O CYS A 114 8.354 -6.255 4.259 1.00 0.00 O ATOM 1209 CB CYS A 114 9.474 -3.626 3.618 1.00 0.00 C ATOM 1210 SG CYS A 114 10.642 -3.964 2.282 1.00 0.00 S ATOM 0 H CYS A 114 7.340 -3.783 5.277 1.00 0.00 H new ATOM 0 HA CYS A 114 7.746 -3.690 2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.480 -2.557 3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.816 -4.131 4.521 1.00 0.00 H new ATOM 0 HG CYS A 114 11.607 -3.093 2.318 1.00 0.00 H new ATOM 1215 N TYR A 115 7.408 -6.136 2.217 1.00 0.00 N ATOM 1216 CA TYR A 115 7.255 -7.582 2.077 1.00 0.00 C ATOM 1217 C TYR A 115 8.605 -8.277 1.916 1.00 0.00 C ATOM 1218 O TYR A 115 8.843 -9.332 2.504 1.00 0.00 O ATOM 1219 CB TYR A 115 6.362 -7.914 0.879 1.00 0.00 C ATOM 1220 CG TYR A 115 4.893 -7.655 1.122 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.160 -8.458 1.987 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.237 -6.610 0.483 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.815 -8.227 2.209 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.893 -6.372 0.700 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.187 -7.184 1.563 1.00 0.00 C ATOM 1226 OH TYR A 115 0.849 -6.950 1.782 1.00 0.00 O ATOM 0 H TYR A 115 7.068 -5.598 1.420 1.00 0.00 H new ATOM 0 HA TYR A 115 6.787 -7.949 2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.688 -7.326 0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.498 -8.963 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.649 -9.276 2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.786 -5.973 -0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.260 -8.860 2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.398 -5.555 0.197 1.00 0.00 H new ATOM 0 HH TYR A 115 0.746 -6.217 2.424 1.00 0.00 H new ATOM 1236 N ALA A 116 9.485 -7.683 1.115 1.00 0.00 N ATOM 1237 CA ALA A 116 10.807 -8.253 0.877 1.00 0.00 C ATOM 1238 C ALA A 116 11.578 -8.394 2.181 1.00 0.00 C ATOM 1239 O ALA A 116 12.077 -9.470 2.508 1.00 0.00 O ATOM 1240 CB ALA A 116 11.581 -7.394 -0.110 1.00 0.00 C ATOM 0 H ALA A 116 9.307 -6.809 0.621 1.00 0.00 H new ATOM 0 HA ALA A 116 10.680 -9.248 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.565 -7.831 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.039 -7.346 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.695 -6.388 0.294 1.00 0.00 H new ATOM 1246 N CYS A 117 11.663 -7.300 2.926 1.00 0.00 N ATOM 1247 CA CYS A 117 12.363 -7.296 4.201 1.00 0.00 C ATOM 1248 C CYS A 117 11.597 -8.123 5.229 1.00 0.00 C ATOM 1249 O CYS A 117 12.186 -8.710 6.136 1.00 0.00 O ATOM 1250 CB CYS A 117 12.537 -5.865 4.709 1.00 0.00 C ATOM 1251 SG CYS A 117 14.027 -5.044 4.098 1.00 0.00 S ATOM 0 H CYS A 117 11.254 -6.402 2.667 1.00 0.00 H new ATOM 0 HA CYS A 117 13.348 -7.739 4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.666 -5.278 4.417 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.562 -5.878 5.799 1.00 0.00 H new ATOM 0 HG CYS A 117 13.700 -3.927 3.519 1.00 0.00 H new ATOM 1256 N SER A 118 10.274 -8.157 5.077 1.00 0.00 N ATOM 1257 CA SER A 118 9.408 -8.903 5.985 1.00 0.00 C ATOM 1258 C SER A 118 9.244 -8.157 7.305 1.00 0.00 C ATOM 1259 O SER A 118 9.440 -8.721 8.383 1.00 0.00 O ATOM 1260 CB SER A 118 9.965 -10.310 6.233 1.00 0.00 C ATOM 1261 OG SER A 118 8.967 -11.296 6.029 1.00 0.00 O ATOM 0 H SER A 118 9.777 -7.673 4.329 1.00 0.00 H new ATOM 0 HA SER A 118 8.428 -8.998 5.517 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.806 -10.495 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.347 -10.379 7.252 1.00 0.00 H new ATOM 0 HG SER A 118 9.347 -12.185 6.191 1.00 0.00 H new ATOM 1267 N LYS A 119 8.884 -6.881 7.212 1.00 0.00 N ATOM 1268 CA LYS A 119 8.696 -6.053 8.398 1.00 0.00 C ATOM 1269 C LYS A 119 8.135 -4.685 8.027 1.00 0.00 C ATOM 1270 O LYS A 119 7.997 -4.358 6.848 1.00 0.00 O ATOM 1271 CB LYS A 119 10.019 -5.887 9.150 1.00 0.00 C ATOM 1272 CG LYS A 119 11.216 -5.644 8.242 1.00 0.00 C ATOM 1273 CD LYS A 119 11.378 -4.168 7.915 1.00 0.00 C ATOM 1274 CE LYS A 119 12.053 -3.415 9.051 1.00 0.00 C ATOM 1275 NZ LYS A 119 13.493 -3.163 8.770 1.00 0.00 N ATOM 0 H LYS A 119 8.717 -6.398 6.329 1.00 0.00 H new ATOM 0 HA LYS A 119 7.979 -6.556 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.928 -5.053 9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.202 -6.781 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.121 -6.012 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.095 -6.211 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.967 -4.059 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.400 -3.729 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.543 -2.465 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.958 -3.988 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.917 -2.648 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.986 -4.070 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.583 -2.595 7.904 1.00 0.00 H new ATOM 1289 N GLU A 120 7.813 -3.890 9.042 1.00 0.00 N ATOM 1290 CA GLU A 120 7.268 -2.555 8.825 1.00 0.00 C ATOM 1291 C GLU A 120 8.388 -1.535 8.647 1.00 0.00 C ATOM 1292 O GLU A 120 9.450 -1.653 9.259 1.00 0.00 O ATOM 1293 CB GLU A 120 6.374 -2.152 9.998 1.00 0.00 C ATOM 1294 CG GLU A 120 7.117 -2.042 11.320 1.00 0.00 C ATOM 1295 CD GLU A 120 7.058 -3.324 12.130 1.00 0.00 C ATOM 1296 OE1 GLU A 120 7.930 -3.515 13.002 1.00 0.00 O ATOM 1297 OE2 GLU A 120 6.137 -4.134 11.892 1.00 0.00 O ATOM 0 H GLU A 120 7.920 -4.147 10.023 1.00 0.00 H new ATOM 0 HA GLU A 120 6.671 -2.574 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.905 -1.194 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.572 -2.883 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.159 -1.786 11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.692 -1.227 11.905 1.00 0.00 H new ATOM 1304 N VAL A 121 8.145 -0.535 7.807 1.00 0.00 N ATOM 1305 CA VAL A 121 9.135 0.503 7.550 1.00 0.00 C ATOM 1306 C VAL A 121 8.486 1.882 7.485 1.00 0.00 C ATOM 1307 O VAL A 121 7.263 2.006 7.539 1.00 0.00 O ATOM 1308 CB VAL A 121 9.893 0.244 6.234 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.930 -0.853 6.422 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.922 -0.115 5.120 1.00 0.00 C ATOM 0 H VAL A 121 7.271 -0.422 7.293 1.00 0.00 H new ATOM 0 HA VAL A 121 9.841 0.476 8.380 1.00 0.00 H new ATOM 0 HB VAL A 121 10.413 1.159 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.455 -1.022 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.644 -0.551 7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.434 -1.773 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.476 -0.294 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.371 -1.015 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.222 0.707 4.969 1.00 0.00 H new ATOM 1320 N PHE A 122 9.315 2.914 7.369 1.00 0.00 N ATOM 1321 CA PHE A 122 8.824 4.286 7.296 1.00 0.00 C ATOM 1322 C PHE A 122 9.322 4.974 6.029 1.00 0.00 C ATOM 1323 O PHE A 122 10.527 5.076 5.799 1.00 0.00 O ATOM 1324 CB PHE A 122 9.268 5.076 8.529 1.00 0.00 C ATOM 1325 CG PHE A 122 10.755 5.068 8.742 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.379 3.978 9.327 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.529 6.151 8.358 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.746 3.968 9.525 1.00 0.00 C ATOM 1329 CE2 PHE A 122 12.896 6.147 8.554 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.506 5.054 9.138 1.00 0.00 C ATOM 0 H PHE A 122 10.330 2.827 7.323 1.00 0.00 H new ATOM 0 HA PHE A 122 7.735 4.255 7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 122 8.928 6.107 8.432 1.00 0.00 H new ATOM 0 HB3 PHE A 122 8.780 4.662 9.411 1.00 0.00 H new ATOM 0 HD1 PHE A 122 10.790 3.126 9.632 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.058 7.008 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.220 3.112 9.982 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.488 6.998 8.251 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.575 5.049 9.292 1.00 0.00 H new