USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 643 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 93 CYS SG : rot -155:sc= 1.16 USER MOD Set 1.2: A 96 CYS SG : rot 136:sc= 0.518 USER MOD Set 1.3: A 117 CYS SG : rot 68:sc= -0.627 USER MOD Set 1.4: A 120 CYS SG : rot 26:sc= -4.26! USER MOD Set 2.1: A 106 SER OG : rot -170:sc= -1.78! USER MOD Set 2.2: A 109 GLN : amide:sc= -5.35! C(o=-14!,f=-21!) USER MOD Set 2.3: A 118 GLN : amide:sc= -7.06! C(o=-14!,f=-14!) USER MOD Set 3.1: A 42 CYS SG : rot -161:sc= -0.666! USER MOD Set 3.2: A 45 CYS SG : rot -54:sc= -3.63 USER MOD Set 3.3: A 54 TYR OH : rot -39:sc= -3.98! USER MOD Set 3.4: A 80 CYS SG : rot 124:sc= -1.67! USER MOD Set 3.5: A 82 THR OG1 : rot -110:sc= -0.695 USER MOD Set 3.6: A 83 CYS SG : rot 35:sc= -0.648 USER MOD Single : A 41 MET CE :methyl 168:sc= -0.842 (180deg=-1.45) USER MOD Single : A 43 MET CE :methyl -157:sc= 0 (180deg=-0.683) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.024 (180deg=-0.405) USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0373) USER MOD Single : A 53 SER OG : rot -44:sc= 0.496 USER MOD Single : A 55 SER OG : rot 138:sc= -0.732 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.061 (180deg=-0.565) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.845 K(o=-0.84,f=-3.5!) USER MOD Single : A 60 SER OG : rot -36:sc= 0.714 USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0938) USER MOD Single : A 62 THR OG1 : rot -101:sc= 0.441 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 70 THR OG1 : rot -16:sc= 0.308 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.119) USER MOD Single : A 90 SER OG : rot 40:sc= 0.719 USER MOD Single : A 94 THR OG1 : rot -164:sc= 1.23 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc=-0.00863 K(o=-0.0086,f=-1.6!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0448 F(o=-1.1,f=-0.045) USER MOD Single : A 107 LYS NZ :NH3+ -153:sc= -0.185 (180deg=-1.23!) USER MOD Single : A 111 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-1.2) USER MOD Single : A 122 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 4.593 18.393 -11.637 1.00 0.00 N ATOM 88 CA ASP A 37 4.197 17.207 -12.387 1.00 0.00 C ATOM 89 C ASP A 37 5.131 16.982 -13.570 1.00 0.00 C ATOM 90 O ASP A 37 4.962 16.034 -14.339 1.00 0.00 O ATOM 91 CB ASP A 37 2.757 17.355 -12.886 1.00 0.00 C ATOM 92 CG ASP A 37 1.786 17.249 -11.714 1.00 0.00 C ATOM 93 OD1 ASP A 37 2.215 16.836 -10.650 1.00 0.00 O ATOM 94 OD2 ASP A 37 0.627 17.580 -11.901 1.00 0.00 O1- ATOM 0 HA ASP A 37 4.260 16.345 -11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.633 18.316 -13.386 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.537 16.582 -13.622 1.00 0.00 H new ATOM 99 N ALA A 38 6.116 17.858 -13.703 1.00 0.00 N ATOM 100 CA ALA A 38 7.085 17.749 -14.792 1.00 0.00 C ATOM 101 C ALA A 38 7.988 16.543 -14.581 1.00 0.00 C ATOM 102 O ALA A 38 8.383 16.250 -13.456 1.00 0.00 O ATOM 103 CB ALA A 38 7.939 19.014 -14.871 1.00 0.00 C ATOM 0 H ALA A 38 6.268 18.649 -13.077 1.00 0.00 H new ATOM 0 HA ALA A 38 6.536 17.626 -15.725 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.656 18.919 -15.686 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.297 19.876 -15.052 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.474 19.151 -13.931 1.00 0.00 H new ATOM 109 N LEU A 39 8.317 15.848 -15.670 1.00 0.00 N ATOM 110 CA LEU A 39 9.184 14.669 -15.597 1.00 0.00 C ATOM 111 C LEU A 39 10.533 14.973 -16.228 1.00 0.00 C ATOM 112 O LEU A 39 10.606 15.399 -17.381 1.00 0.00 O ATOM 113 CB LEU A 39 8.528 13.506 -16.344 1.00 0.00 C ATOM 114 CG LEU A 39 7.201 13.127 -15.657 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.314 12.354 -16.639 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.470 12.245 -14.436 1.00 0.00 C ATOM 0 H LEU A 39 7.998 16.079 -16.611 1.00 0.00 H new ATOM 0 HA LEU A 39 9.330 14.401 -14.551 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.344 13.785 -17.381 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.199 12.647 -16.359 1.00 0.00 H new ATOM 0 HG LEU A 39 6.699 14.042 -15.341 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.377 12.087 -16.150 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.105 12.977 -17.509 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.828 11.447 -16.957 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.525 11.984 -13.960 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.981 11.335 -14.750 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.096 12.786 -13.727 1.00 0.00 H new ATOM 128 N ILE A 40 11.605 14.755 -15.467 1.00 0.00 N ATOM 129 CA ILE A 40 12.957 15.020 -15.969 1.00 0.00 C ATOM 130 C ILE A 40 13.716 13.717 -16.148 1.00 0.00 C ATOM 131 O ILE A 40 13.801 12.897 -15.233 1.00 0.00 O ATOM 132 CB ILE A 40 13.711 15.908 -14.982 1.00 0.00 C ATOM 133 CG1 ILE A 40 12.845 17.124 -14.640 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.037 16.372 -15.600 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.412 17.864 -15.913 1.00 0.00 C ATOM 0 H ILE A 40 11.568 14.400 -14.512 1.00 0.00 H new ATOM 0 HA ILE A 40 12.878 15.525 -16.932 1.00 0.00 H new ATOM 0 HB ILE A 40 13.925 15.343 -14.075 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.964 16.803 -14.084 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.402 17.801 -13.992 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.568 17.005 -14.889 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.650 15.503 -15.841 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.836 16.938 -16.510 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.798 18.723 -15.643 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.295 18.204 -16.454 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.835 17.191 -16.547 1.00 0.00 H new ATOM 147 N MET A 41 14.275 13.539 -17.340 1.00 0.00 N ATOM 148 CA MET A 41 15.045 12.337 -17.657 1.00 0.00 C ATOM 149 C MET A 41 16.533 12.656 -17.653 1.00 0.00 C ATOM 150 O MET A 41 16.953 13.706 -18.138 1.00 0.00 O ATOM 151 CB MET A 41 14.637 11.786 -19.026 1.00 0.00 C ATOM 152 CG MET A 41 15.524 10.578 -19.392 1.00 0.00 C ATOM 153 SD MET A 41 16.929 11.139 -20.394 1.00 0.00 S ATOM 154 CE MET A 41 16.846 9.860 -21.673 1.00 0.00 C ATOM 0 H MET A 41 14.210 14.211 -18.105 1.00 0.00 H new ATOM 0 HA MET A 41 14.837 11.582 -16.899 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.589 11.487 -19.010 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.735 12.563 -19.784 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.882 10.089 -18.486 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.942 9.840 -19.944 1.00 0.00 H new ATOM 0 HE1 MET A 41 17.490 10.138 -22.507 1.00 0.00 H new ATOM 0 HE2 MET A 41 17.179 8.909 -21.258 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.819 9.763 -22.024 1.00 0.00 H new ATOM 164 N CYS A 42 17.327 11.752 -17.087 1.00 0.00 N ATOM 165 CA CYS A 42 18.779 11.957 -17.006 1.00 0.00 C ATOM 166 C CYS A 42 19.504 11.385 -18.225 1.00 0.00 C ATOM 167 O CYS A 42 19.040 10.459 -18.875 1.00 0.00 O ATOM 168 CB CYS A 42 19.328 11.321 -15.713 1.00 0.00 C ATOM 169 SG CYS A 42 18.207 10.027 -15.148 1.00 0.00 S ATOM 0 H CYS A 42 16.999 10.876 -16.680 1.00 0.00 H new ATOM 0 HA CYS A 42 18.963 13.031 -16.990 1.00 0.00 H new ATOM 0 HB2 CYS A 42 20.319 10.904 -15.894 1.00 0.00 H new ATOM 0 HB3 CYS A 42 19.439 12.082 -14.941 1.00 0.00 H new ATOM 0 HG CYS A 42 18.430 9.778 -13.892 1.00 0.00 H new ATOM 174 N MET A 43 20.644 11.981 -18.536 1.00 0.00 N ATOM 175 CA MET A 43 21.437 11.560 -19.688 1.00 0.00 C ATOM 176 C MET A 43 22.310 10.347 -19.353 1.00 0.00 C ATOM 177 O MET A 43 23.072 9.883 -20.200 1.00 0.00 O ATOM 178 CB MET A 43 22.320 12.729 -20.158 1.00 0.00 C ATOM 179 CG MET A 43 22.749 13.563 -18.948 1.00 0.00 C ATOM 180 SD MET A 43 24.126 14.640 -19.413 1.00 0.00 S ATOM 181 CE MET A 43 24.334 15.436 -17.802 1.00 0.00 C ATOM 0 H MET A 43 21.044 12.758 -18.009 1.00 0.00 H new ATOM 0 HA MET A 43 20.754 11.269 -20.486 1.00 0.00 H new ATOM 0 HB2 MET A 43 23.198 12.349 -20.681 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.772 13.351 -20.866 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.911 14.161 -18.590 1.00 0.00 H new ATOM 0 HG3 MET A 43 23.046 12.908 -18.129 1.00 0.00 H new ATOM 0 HE1 MET A 43 24.828 16.399 -17.933 1.00 0.00 H new ATOM 0 HE2 MET A 43 23.357 15.588 -17.343 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.943 14.801 -17.158 1.00 0.00 H new ATOM 191 N ARG A 44 22.201 9.833 -18.125 1.00 0.00 N ATOM 192 CA ARG A 44 22.994 8.677 -17.709 1.00 0.00 C ATOM 193 C ARG A 44 22.119 7.431 -17.611 1.00 0.00 C ATOM 194 O ARG A 44 21.946 6.699 -18.585 1.00 0.00 O ATOM 195 CB ARG A 44 23.652 8.973 -16.343 1.00 0.00 C ATOM 196 CG ARG A 44 25.062 9.532 -16.533 1.00 0.00 C ATOM 197 CD ARG A 44 25.693 9.764 -15.164 1.00 0.00 C ATOM 198 NE ARG A 44 27.073 10.200 -15.324 1.00 0.00 N ATOM 199 CZ ARG A 44 27.364 11.440 -15.692 1.00 0.00 C ATOM 200 NH1 ARG A 44 26.406 12.296 -15.922 1.00 0.00 N ATOM 201 NH2 ARG A 44 28.608 11.801 -15.831 1.00 0.00 N1+ ATOM 0 H ARG A 44 21.575 10.197 -17.407 1.00 0.00 H new ATOM 0 HA ARG A 44 23.768 8.491 -18.454 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.044 9.687 -15.788 1.00 0.00 H new ATOM 0 HB3 ARG A 44 23.694 8.060 -15.749 1.00 0.00 H new ATOM 0 HG2 ARG A 44 25.668 8.836 -17.114 1.00 0.00 H new ATOM 0 HG3 ARG A 44 25.024 10.466 -17.093 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.126 10.516 -14.615 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.658 8.846 -14.577 1.00 0.00 H new ATOM 0 HE ARG A 44 27.830 9.539 -15.150 1.00 0.00 H new ATOM 0 HH11 ARG A 44 25.432 12.011 -15.819 1.00 0.00 H new ATOM 0 HH12 ARG A 44 26.631 13.250 -16.205 1.00 0.00 H new ATOM 0 HH21 ARG A 44 29.356 11.130 -15.657 1.00 0.00 H new ATOM 0 HH22 ARG A 44 28.834 12.755 -16.114 1.00 0.00 H new ATOM 215 N CYS A 45 21.611 7.178 -16.419 1.00 0.00 N ATOM 216 CA CYS A 45 20.794 5.993 -16.186 1.00 0.00 C ATOM 217 C CYS A 45 19.436 6.118 -16.884 1.00 0.00 C ATOM 218 O CYS A 45 18.667 5.160 -16.950 1.00 0.00 O ATOM 219 CB CYS A 45 20.646 5.756 -14.668 1.00 0.00 C ATOM 220 SG CYS A 45 19.126 6.506 -14.036 1.00 0.00 S ATOM 0 H CYS A 45 21.746 7.770 -15.600 1.00 0.00 H new ATOM 0 HA CYS A 45 21.289 5.123 -16.618 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.639 4.685 -14.463 1.00 0.00 H new ATOM 0 HB3 CYS A 45 21.506 6.175 -14.146 1.00 0.00 H new ATOM 0 HG CYS A 45 19.089 7.761 -14.373 1.00 0.00 H new ATOM 225 N ARG A 46 19.170 7.302 -17.425 1.00 0.00 N ATOM 226 CA ARG A 46 17.927 7.562 -18.142 1.00 0.00 C ATOM 227 C ARG A 46 16.698 7.344 -17.268 1.00 0.00 C ATOM 228 O ARG A 46 15.669 6.860 -17.739 1.00 0.00 O ATOM 229 CB ARG A 46 17.844 6.693 -19.398 1.00 0.00 C ATOM 230 CG ARG A 46 19.058 6.983 -20.284 1.00 0.00 C ATOM 231 CD ARG A 46 18.851 6.347 -21.656 1.00 0.00 C ATOM 232 NE ARG A 46 20.064 6.459 -22.460 1.00 0.00 N ATOM 233 CZ ARG A 46 20.332 7.558 -23.157 1.00 0.00 C ATOM 234 NH1 ARG A 46 19.512 8.572 -23.118 1.00 0.00 N ATOM 235 NH2 ARG A 46 21.418 7.624 -23.879 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.803 8.101 -17.380 1.00 0.00 H new ATOM 0 HA ARG A 46 17.937 8.613 -18.430 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.820 5.638 -19.125 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.923 6.903 -19.941 1.00 0.00 H new ATOM 0 HG2 ARG A 46 19.197 8.059 -20.388 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.962 6.588 -19.821 1.00 0.00 H new ATOM 0 HD2 ARG A 46 18.580 5.298 -21.540 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.022 6.835 -22.168 1.00 0.00 H new ATOM 0 HE ARG A 46 20.719 5.678 -22.487 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.665 8.521 -22.552 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.718 9.415 -23.653 1.00 0.00 H new ATOM 0 HH21 ARG A 46 22.060 6.832 -23.908 1.00 0.00 H new ATOM 0 HH22 ARG A 46 21.624 8.467 -24.414 1.00 0.00 H new ATOM 249 N LYS A 47 16.800 7.743 -16.002 1.00 0.00 N ATOM 250 CA LYS A 47 15.666 7.624 -15.084 1.00 0.00 C ATOM 251 C LYS A 47 14.686 8.755 -15.339 1.00 0.00 C ATOM 252 O LYS A 47 15.061 9.924 -15.322 1.00 0.00 O ATOM 253 CB LYS A 47 16.138 7.676 -13.607 1.00 0.00 C ATOM 254 CG LYS A 47 16.139 6.265 -13.001 1.00 0.00 C ATOM 255 CD LYS A 47 16.818 6.283 -11.631 1.00 0.00 C ATOM 256 CE LYS A 47 16.869 4.858 -11.084 1.00 0.00 C ATOM 257 NZ LYS A 47 15.484 4.394 -10.802 1.00 0.00 N1+ ATOM 0 H LYS A 47 17.642 8.146 -15.591 1.00 0.00 H new ATOM 0 HA LYS A 47 15.182 6.663 -15.259 1.00 0.00 H new ATOM 0 HB2 LYS A 47 17.139 8.104 -13.552 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.481 8.327 -13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.116 5.902 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.660 5.576 -13.665 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.825 6.690 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.269 6.930 -10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.348 4.196 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.469 4.826 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.516 3.575 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.945 5.162 -10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.022 4.120 -11.692 1.00 0.00 H new ATOM 271 N VAL A 48 13.427 8.399 -15.556 1.00 0.00 N ATOM 272 CA VAL A 48 12.385 9.391 -15.796 1.00 0.00 C ATOM 273 C VAL A 48 11.402 9.397 -14.628 1.00 0.00 C ATOM 274 O VAL A 48 10.817 8.366 -14.294 1.00 0.00 O ATOM 275 CB VAL A 48 11.642 9.047 -17.091 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.908 10.281 -17.616 1.00 0.00 C ATOM 277 CG2 VAL A 48 12.648 8.574 -18.137 1.00 0.00 C ATOM 0 H VAL A 48 13.102 7.432 -15.571 1.00 0.00 H new ATOM 0 HA VAL A 48 12.839 10.378 -15.888 1.00 0.00 H new ATOM 0 HB VAL A 48 10.917 8.258 -16.891 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.383 10.027 -18.537 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.190 10.622 -16.870 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.628 11.075 -17.816 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.124 8.328 -19.061 1.00 0.00 H new ATOM 0 HG22 VAL A 48 13.372 9.366 -18.330 1.00 0.00 H new ATOM 0 HG23 VAL A 48 13.168 7.690 -17.768 1.00 0.00 H new ATOM 287 N LYS A 49 11.222 10.559 -14.017 1.00 0.00 N ATOM 288 CA LYS A 49 10.310 10.694 -12.897 1.00 0.00 C ATOM 289 C LYS A 49 10.096 12.173 -12.596 1.00 0.00 C ATOM 290 O LYS A 49 10.695 13.039 -13.233 1.00 0.00 O ATOM 291 CB LYS A 49 10.863 9.954 -11.662 1.00 0.00 C ATOM 292 CG LYS A 49 9.954 8.774 -11.308 1.00 0.00 C ATOM 293 CD LYS A 49 10.586 7.950 -10.191 1.00 0.00 C ATOM 294 CE LYS A 49 9.810 6.646 -10.029 1.00 0.00 C ATOM 295 NZ LYS A 49 10.269 5.677 -11.064 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.698 11.422 -14.281 1.00 0.00 H new ATOM 0 HA LYS A 49 9.351 10.244 -13.153 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.873 9.598 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.929 10.639 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.976 9.138 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.795 8.150 -12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.630 7.739 -10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.575 8.512 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.968 6.235 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.740 6.829 -10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.465 5.096 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.658 6.196 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.005 5.062 -10.662 1.00 0.00 H new ATOM 309 N GLY A 50 9.237 12.450 -11.629 1.00 0.00 N ATOM 310 CA GLY A 50 8.938 13.824 -11.253 1.00 0.00 C ATOM 311 C GLY A 50 10.005 14.381 -10.322 1.00 0.00 C ATOM 312 O GLY A 50 11.037 13.752 -10.101 1.00 0.00 O ATOM 0 H GLY A 50 8.735 11.744 -11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.872 14.443 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.965 13.867 -10.763 1.00 0.00 H new ATOM 316 N ILE A 51 9.748 15.567 -9.778 1.00 0.00 N ATOM 317 CA ILE A 51 10.701 16.197 -8.870 1.00 0.00 C ATOM 318 C ILE A 51 11.101 15.244 -7.738 1.00 0.00 C ATOM 319 O ILE A 51 11.968 15.563 -6.925 1.00 0.00 O ATOM 320 CB ILE A 51 10.084 17.467 -8.277 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.145 18.249 -7.497 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.942 17.091 -7.330 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.627 19.657 -7.220 1.00 0.00 C ATOM 0 H ILE A 51 8.899 16.106 -9.947 1.00 0.00 H new ATOM 0 HA ILE A 51 11.597 16.450 -9.437 1.00 0.00 H new ATOM 0 HB ILE A 51 9.701 18.085 -9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.372 17.741 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.073 18.295 -8.068 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.505 17.997 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.179 16.542 -7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.328 16.467 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.378 20.218 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.421 20.161 -8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.711 19.599 -6.633 1.00 0.00 H new ATOM 335 N ASP A 52 10.491 14.061 -7.702 1.00 0.00 N ATOM 336 CA ASP A 52 10.813 13.079 -6.677 1.00 0.00 C ATOM 337 C ASP A 52 12.169 12.439 -6.955 1.00 0.00 C ATOM 338 O ASP A 52 13.054 12.440 -6.100 1.00 0.00 O ATOM 339 CB ASP A 52 9.733 11.997 -6.652 1.00 0.00 C ATOM 340 CG ASP A 52 10.035 10.978 -5.561 1.00 0.00 C ATOM 341 OD1 ASP A 52 11.104 11.062 -4.978 1.00 0.00 O ATOM 342 OD2 ASP A 52 9.193 10.129 -5.320 1.00 0.00 O1- ATOM 0 H ASP A 52 9.777 13.764 -8.367 1.00 0.00 H new ATOM 0 HA ASP A 52 10.856 13.582 -5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.758 12.451 -6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.684 11.500 -7.621 1.00 0.00 H new ATOM 347 N SER A 53 12.326 11.889 -8.160 1.00 0.00 N ATOM 348 CA SER A 53 13.586 11.247 -8.532 1.00 0.00 C ATOM 349 C SER A 53 14.634 12.286 -8.913 1.00 0.00 C ATOM 350 O SER A 53 15.743 11.941 -9.321 1.00 0.00 O ATOM 351 CB SER A 53 13.385 10.293 -9.701 1.00 0.00 C ATOM 352 OG SER A 53 14.535 9.466 -9.832 1.00 0.00 O ATOM 0 H SER A 53 11.608 11.875 -8.885 1.00 0.00 H new ATOM 0 HA SER A 53 13.934 10.686 -7.665 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.498 9.680 -9.538 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.220 10.855 -10.620 1.00 0.00 H new ATOM 0 HG SER A 53 15.343 10.013 -9.740 1.00 0.00 H new ATOM 358 N TYR A 54 14.273 13.560 -8.782 1.00 0.00 N ATOM 359 CA TYR A 54 15.181 14.660 -9.118 1.00 0.00 C ATOM 360 C TYR A 54 15.308 15.627 -7.945 1.00 0.00 C ATOM 361 O TYR A 54 14.320 15.974 -7.297 1.00 0.00 O ATOM 362 CB TYR A 54 14.653 15.404 -10.366 1.00 0.00 C ATOM 363 CG TYR A 54 15.251 14.805 -11.626 1.00 0.00 C ATOM 364 CD1 TYR A 54 14.907 13.510 -12.028 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.164 15.551 -12.382 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.475 12.960 -13.183 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.727 15.005 -13.534 1.00 0.00 C ATOM 368 CZ TYR A 54 16.387 13.708 -13.936 1.00 0.00 C ATOM 369 OH TYR A 54 16.949 13.167 -15.074 1.00 0.00 O ATOM 0 H TYR A 54 13.358 13.859 -8.445 1.00 0.00 H new ATOM 0 HA TYR A 54 16.168 14.250 -9.333 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.566 15.339 -10.404 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.907 16.462 -10.302 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.202 12.934 -11.447 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.432 16.550 -12.072 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.210 11.960 -13.493 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.427 15.584 -14.118 1.00 0.00 H new ATOM 0 HH TYR A 54 17.150 12.220 -14.921 1.00 0.00 H new ATOM 379 N SER A 55 16.537 16.065 -7.687 1.00 0.00 N ATOM 380 CA SER A 55 16.794 16.996 -6.603 1.00 0.00 C ATOM 381 C SER A 55 16.228 18.369 -6.954 1.00 0.00 C ATOM 382 O SER A 55 16.076 18.706 -8.129 1.00 0.00 O ATOM 383 CB SER A 55 18.300 17.101 -6.358 1.00 0.00 C ATOM 384 OG SER A 55 18.913 17.736 -7.473 1.00 0.00 O ATOM 0 H SER A 55 17.365 15.789 -8.214 1.00 0.00 H new ATOM 0 HA SER A 55 16.309 16.633 -5.697 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.494 17.670 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.726 16.109 -6.210 1.00 0.00 H new ATOM 0 HG SER A 55 19.583 18.377 -7.157 1.00 0.00 H new ATOM 390 N LYS A 56 15.914 19.153 -5.932 1.00 0.00 N ATOM 391 CA LYS A 56 15.359 20.483 -6.145 1.00 0.00 C ATOM 392 C LYS A 56 16.350 21.356 -6.904 1.00 0.00 C ATOM 393 O LYS A 56 15.969 22.122 -7.789 1.00 0.00 O ATOM 394 CB LYS A 56 15.031 21.126 -4.797 1.00 0.00 C ATOM 395 CG LYS A 56 13.884 20.361 -4.133 1.00 0.00 C ATOM 396 CD LYS A 56 13.598 20.962 -2.755 1.00 0.00 C ATOM 397 CE LYS A 56 12.498 20.153 -2.065 1.00 0.00 C ATOM 398 NZ LYS A 56 11.252 20.212 -2.880 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.033 18.894 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 56 14.447 20.393 -6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.910 21.115 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.752 22.170 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.991 20.412 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.145 19.307 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.504 20.956 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.290 22.002 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.816 19.118 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.312 20.550 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.437 19.954 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.122 21.177 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.326 19.547 -3.676 1.00 0.00 H new ATOM 412 N THR A 57 17.624 21.235 -6.552 1.00 0.00 N ATOM 413 CA THR A 57 18.660 22.022 -7.209 1.00 0.00 C ATOM 414 C THR A 57 18.741 21.675 -8.693 1.00 0.00 C ATOM 415 O THR A 57 18.768 22.565 -9.540 1.00 0.00 O ATOM 416 CB THR A 57 20.017 21.755 -6.546 1.00 0.00 C ATOM 417 OG1 THR A 57 19.888 21.892 -5.138 1.00 0.00 O ATOM 418 CG2 THR A 57 21.051 22.756 -7.067 1.00 0.00 C ATOM 0 H THR A 57 17.962 20.607 -5.823 1.00 0.00 H new ATOM 0 HA THR A 57 18.406 23.077 -7.109 1.00 0.00 H new ATOM 0 HB THR A 57 20.345 20.743 -6.785 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.754 21.720 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.014 22.564 -6.594 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.149 22.649 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 57 20.727 23.770 -6.831 1.00 0.00 H new ATOM 426 N GLN A 58 18.785 20.380 -9.000 1.00 0.00 N ATOM 427 CA GLN A 58 18.866 19.932 -10.388 1.00 0.00 C ATOM 428 C GLN A 58 17.558 20.197 -11.129 1.00 0.00 C ATOM 429 O GLN A 58 17.565 20.618 -12.286 1.00 0.00 O ATOM 430 CB GLN A 58 19.186 18.436 -10.429 1.00 0.00 C ATOM 431 CG GLN A 58 20.572 18.189 -9.826 1.00 0.00 C ATOM 432 CD GLN A 58 21.648 18.816 -10.706 1.00 0.00 C ATOM 433 OE1 GLN A 58 21.640 18.637 -11.923 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.583 19.545 -10.158 1.00 0.00 N ATOM 0 H GLN A 58 18.766 19.628 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 58 19.659 20.493 -10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.432 17.878 -9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.157 18.076 -11.457 1.00 0.00 H new ATOM 0 HG2 GLN A 58 20.621 18.612 -8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.749 17.118 -9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.589 19.693 -9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 58 23.307 19.967 -10.739 1.00 0.00 H new ATOM 443 N TRP A 59 16.439 19.953 -10.457 1.00 0.00 N ATOM 444 CA TRP A 59 15.127 20.175 -11.053 1.00 0.00 C ATOM 445 C TRP A 59 14.915 21.659 -11.356 1.00 0.00 C ATOM 446 O TRP A 59 14.288 22.014 -12.350 1.00 0.00 O ATOM 447 CB TRP A 59 14.028 19.679 -10.104 1.00 0.00 C ATOM 448 CG TRP A 59 12.681 20.017 -10.668 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.002 19.268 -11.569 1.00 0.00 C ATOM 450 CD2 TRP A 59 11.844 21.173 -10.382 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.803 19.897 -11.860 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.659 21.075 -11.152 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.997 22.286 -9.540 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.665 22.050 -11.086 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.998 23.270 -9.471 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.833 23.152 -10.243 1.00 0.00 C ATOM 0 H TRP A 59 16.414 19.602 -9.500 1.00 0.00 H new ATOM 0 HA TRP A 59 15.076 19.617 -11.988 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.114 18.601 -9.964 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.147 20.138 -9.123 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.340 18.333 -11.991 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.111 19.535 -12.516 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.890 22.386 -8.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.770 21.954 -11.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.127 24.122 -8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.067 23.911 -10.186 1.00 0.00 H new ATOM 467 N SER A 60 15.429 22.517 -10.482 1.00 0.00 N ATOM 468 CA SER A 60 15.274 23.957 -10.664 1.00 0.00 C ATOM 469 C SER A 60 15.938 24.420 -11.960 1.00 0.00 C ATOM 470 O SER A 60 15.594 25.469 -12.503 1.00 0.00 O ATOM 471 CB SER A 60 15.890 24.701 -9.480 1.00 0.00 C ATOM 472 OG SER A 60 17.286 24.433 -9.433 1.00 0.00 O ATOM 0 H SER A 60 15.951 22.246 -9.649 1.00 0.00 H new ATOM 0 HA SER A 60 14.208 24.179 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.717 25.773 -9.579 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.416 24.386 -8.551 1.00 0.00 H new ATOM 0 HG SER A 60 17.451 23.507 -9.709 1.00 0.00 H new ATOM 478 N LYS A 61 16.892 23.632 -12.447 1.00 0.00 N ATOM 479 CA LYS A 61 17.604 23.971 -13.679 1.00 0.00 C ATOM 480 C LYS A 61 16.731 23.685 -14.894 1.00 0.00 C ATOM 481 O LYS A 61 17.108 23.983 -16.028 1.00 0.00 O ATOM 482 CB LYS A 61 18.882 23.145 -13.777 1.00 0.00 C ATOM 483 CG LYS A 61 19.787 23.475 -12.596 1.00 0.00 C ATOM 484 CD LYS A 61 21.010 22.559 -12.616 1.00 0.00 C ATOM 485 CE LYS A 61 21.797 22.737 -11.321 1.00 0.00 C ATOM 486 NZ LYS A 61 22.416 24.092 -11.288 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.190 22.759 -12.012 1.00 0.00 H new ATOM 0 HA LYS A 61 17.849 25.033 -13.657 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.642 22.082 -13.780 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.396 23.359 -14.714 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.100 24.518 -12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.241 23.350 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.698 21.520 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.641 22.795 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.137 22.608 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.570 21.972 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.084 24.149 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 22.923 24.264 -12.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 21.673 24.810 -11.168 1.00 0.00 H new ATOM 500 N THR A 62 15.568 23.098 -14.648 1.00 0.00 N ATOM 501 CA THR A 62 14.641 22.762 -15.729 1.00 0.00 C ATOM 502 C THR A 62 14.080 24.026 -16.369 1.00 0.00 C ATOM 503 O THR A 62 13.434 23.972 -17.416 1.00 0.00 O ATOM 504 CB THR A 62 13.491 21.907 -15.196 1.00 0.00 C ATOM 505 OG1 THR A 62 12.854 22.583 -14.121 1.00 0.00 O ATOM 506 CG2 THR A 62 14.029 20.561 -14.709 1.00 0.00 C ATOM 0 H THR A 62 15.242 22.844 -13.716 1.00 0.00 H new ATOM 0 HA THR A 62 15.190 22.198 -16.482 1.00 0.00 H new ATOM 0 HB THR A 62 12.770 21.737 -15.995 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.155 22.201 -13.270 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.206 19.956 -14.330 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.511 20.041 -15.537 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.754 20.726 -13.912 1.00 0.00 H new ATOM 514 N PHE A 63 14.336 25.162 -15.732 1.00 0.00 N ATOM 515 CA PHE A 63 13.866 26.452 -16.225 1.00 0.00 C ATOM 516 C PHE A 63 14.878 27.545 -15.904 1.00 0.00 C ATOM 517 O PHE A 63 15.672 27.421 -14.970 1.00 0.00 O ATOM 518 CB PHE A 63 12.512 26.789 -15.597 1.00 0.00 C ATOM 519 CG PHE A 63 12.590 26.605 -14.102 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.118 27.615 -13.290 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.137 25.412 -13.529 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.192 27.430 -11.903 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.209 25.225 -12.145 1.00 0.00 C ATOM 524 CZ PHE A 63 12.736 26.235 -11.331 1.00 0.00 C ATOM 0 H PHE A 63 14.871 25.216 -14.865 1.00 0.00 H new ATOM 0 HA PHE A 63 13.752 26.392 -17.307 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.235 27.816 -15.833 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.736 26.146 -16.013 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.468 28.536 -13.732 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.731 24.633 -14.157 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.600 28.208 -11.275 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.859 24.303 -11.705 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.791 26.093 -10.262 1.00 0.00 H new ATOM 534 N THR A 64 14.846 28.613 -16.694 1.00 0.00 N ATOM 535 CA THR A 64 15.760 29.743 -16.521 1.00 0.00 C ATOM 536 C THR A 64 14.971 31.034 -16.396 1.00 0.00 C ATOM 537 O THR A 64 13.746 31.034 -16.505 1.00 0.00 O ATOM 538 CB THR A 64 16.723 29.837 -17.710 1.00 0.00 C ATOM 539 OG1 THR A 64 15.996 29.733 -18.923 1.00 0.00 O ATOM 540 CG2 THR A 64 17.751 28.710 -17.628 1.00 0.00 C ATOM 0 H THR A 64 14.191 28.722 -17.468 1.00 0.00 H new ATOM 0 HA THR A 64 16.339 29.586 -15.611 1.00 0.00 H new ATOM 0 HB THR A 64 17.238 30.797 -17.681 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.614 29.795 -19.681 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.435 28.779 -18.474 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.314 28.798 -16.699 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.239 27.748 -17.652 1.00 0.00 H new ATOM 548 N PHE A 65 15.681 32.130 -16.143 1.00 0.00 N ATOM 549 CA PHE A 65 15.045 33.439 -15.986 1.00 0.00 C ATOM 550 C PHE A 65 15.595 34.418 -17.019 1.00 0.00 C ATOM 551 O PHE A 65 16.779 34.381 -17.355 1.00 0.00 O ATOM 552 CB PHE A 65 15.305 33.968 -14.556 1.00 0.00 C ATOM 553 CG PHE A 65 13.995 34.244 -13.855 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.296 33.193 -13.253 1.00 0.00 C ATOM 555 CD2 PHE A 65 13.475 35.542 -13.828 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.074 33.443 -12.622 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.256 35.788 -13.192 1.00 0.00 C ATOM 558 CZ PHE A 65 11.558 34.744 -12.594 1.00 0.00 C ATOM 0 H PHE A 65 16.696 32.140 -16.042 1.00 0.00 H new ATOM 0 HA PHE A 65 13.971 33.339 -16.142 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.882 33.237 -13.989 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.901 34.879 -14.600 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.699 32.191 -13.276 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.014 36.352 -14.297 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.529 32.634 -12.157 1.00 0.00 H new ATOM 0 HE2 PHE A 65 11.855 36.790 -13.165 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.614 34.938 -12.106 1.00 0.00 H new ATOM 568 N VAL A 66 14.726 35.296 -17.513 1.00 0.00 N ATOM 569 CA VAL A 66 15.129 36.294 -18.500 1.00 0.00 C ATOM 570 C VAL A 66 14.613 37.666 -18.089 1.00 0.00 C ATOM 571 O VAL A 66 13.412 37.851 -17.903 1.00 0.00 O ATOM 572 CB VAL A 66 14.563 35.925 -19.876 1.00 0.00 C ATOM 573 CG1 VAL A 66 15.391 36.589 -20.983 1.00 0.00 C ATOM 574 CG2 VAL A 66 14.604 34.408 -20.035 1.00 0.00 C ATOM 0 H VAL A 66 13.742 35.337 -17.247 1.00 0.00 H new ATOM 0 HA VAL A 66 16.217 36.319 -18.553 1.00 0.00 H new ATOM 0 HB VAL A 66 13.534 36.277 -19.955 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.980 36.320 -21.956 1.00 0.00 H new ATOM 0 HG12 VAL A 66 15.358 37.672 -20.862 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.424 36.248 -20.919 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.203 34.133 -21.011 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.634 34.062 -19.955 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.003 33.944 -19.253 1.00 0.00 H new ATOM 584 N ARG A 67 15.524 38.627 -17.970 1.00 0.00 N ATOM 585 CA ARG A 67 15.156 39.991 -17.596 1.00 0.00 C ATOM 586 C ARG A 67 13.977 40.021 -16.616 1.00 0.00 C ATOM 587 O ARG A 67 13.135 40.914 -16.684 1.00 0.00 O ATOM 588 CB ARG A 67 14.798 40.803 -18.852 1.00 0.00 C ATOM 589 CG ARG A 67 13.660 40.117 -19.619 1.00 0.00 C ATOM 590 CD ARG A 67 13.194 41.008 -20.769 1.00 0.00 C ATOM 591 NE ARG A 67 12.128 40.340 -21.505 1.00 0.00 N ATOM 592 CZ ARG A 67 10.886 40.311 -21.035 1.00 0.00 C ATOM 593 NH1 ARG A 67 10.610 40.872 -19.889 1.00 0.00 N ATOM 594 NH2 ARG A 67 9.945 39.712 -21.711 1.00 0.00 N1+ ATOM 0 H ARG A 67 16.522 38.488 -18.127 1.00 0.00 H new ATOM 0 HA ARG A 67 16.018 40.434 -17.098 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.499 41.812 -18.569 1.00 0.00 H new ATOM 0 HB3 ARG A 67 15.674 40.898 -19.494 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.999 39.156 -20.007 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.828 39.913 -18.946 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.839 41.963 -20.381 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.029 41.225 -21.435 1.00 0.00 H new ATOM 0 HE ARG A 67 12.339 39.888 -22.395 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.348 41.332 -19.356 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.657 40.850 -19.527 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.162 39.265 -22.602 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.992 39.690 -21.349 1.00 0.00 H new ATOM 608 N GLY A 68 13.917 39.045 -15.702 1.00 0.00 N ATOM 609 CA GLY A 68 12.831 38.999 -14.732 1.00 0.00 C ATOM 610 C GLY A 68 11.637 38.233 -15.293 1.00 0.00 C ATOM 611 O GLY A 68 10.489 38.539 -14.974 1.00 0.00 O ATOM 0 H GLY A 68 14.598 38.291 -15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.176 38.522 -13.815 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.528 40.013 -14.470 1.00 0.00 H new ATOM 615 N ARG A 69 11.911 37.232 -16.135 1.00 0.00 N ATOM 616 CA ARG A 69 10.847 36.424 -16.740 1.00 0.00 C ATOM 617 C ARG A 69 11.190 34.940 -16.669 1.00 0.00 C ATOM 618 O ARG A 69 12.212 34.501 -17.195 1.00 0.00 O ATOM 619 CB ARG A 69 10.654 36.830 -18.204 1.00 0.00 C ATOM 620 CG ARG A 69 9.473 36.060 -18.800 1.00 0.00 C ATOM 621 CD ARG A 69 9.217 36.545 -20.228 1.00 0.00 C ATOM 622 NE ARG A 69 10.343 36.203 -21.089 1.00 0.00 N ATOM 623 CZ ARG A 69 10.416 36.658 -22.336 1.00 0.00 C ATOM 624 NH1 ARG A 69 9.476 37.431 -22.804 1.00 0.00 N ATOM 625 NH2 ARG A 69 11.428 36.330 -23.090 1.00 0.00 N1+ ATOM 0 H ARG A 69 12.855 36.963 -16.412 1.00 0.00 H new ATOM 0 HA ARG A 69 9.926 36.600 -16.185 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.474 37.903 -18.273 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.561 36.622 -18.772 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.685 34.991 -18.800 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.583 36.208 -18.189 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.304 36.092 -20.615 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.063 37.624 -20.231 1.00 0.00 H new ATOM 0 HE ARG A 69 11.087 35.605 -20.729 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.685 37.687 -22.213 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.532 37.780 -23.761 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.163 35.725 -22.723 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.485 36.678 -24.047 1.00 0.00 H new ATOM 639 N THR A 70 10.323 34.169 -16.020 1.00 0.00 N ATOM 640 CA THR A 70 10.539 32.733 -15.889 1.00 0.00 C ATOM 641 C THR A 70 10.293 32.034 -17.222 1.00 0.00 C ATOM 642 O THR A 70 9.253 32.226 -17.850 1.00 0.00 O ATOM 643 CB THR A 70 9.595 32.160 -14.830 1.00 0.00 C ATOM 644 OG1 THR A 70 9.706 32.922 -13.636 1.00 0.00 O ATOM 645 CG2 THR A 70 9.967 30.705 -14.546 1.00 0.00 C ATOM 0 H THR A 70 9.470 34.512 -15.579 1.00 0.00 H new ATOM 0 HA THR A 70 11.572 32.563 -15.586 1.00 0.00 H new ATOM 0 HB THR A 70 8.569 32.205 -15.195 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.523 33.463 -13.668 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.294 30.298 -13.791 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.880 30.122 -15.463 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.993 30.656 -14.181 1.00 0.00 H new ATOM 653 N VAL A 71 11.258 31.220 -17.650 1.00 0.00 N ATOM 654 CA VAL A 71 11.141 30.492 -18.915 1.00 0.00 C ATOM 655 C VAL A 71 11.651 29.061 -18.755 1.00 0.00 C ATOM 656 O VAL A 71 12.643 28.819 -18.069 1.00 0.00 O ATOM 657 CB VAL A 71 11.947 31.207 -20.002 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.388 32.617 -20.206 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.411 31.302 -19.578 1.00 0.00 C ATOM 0 H VAL A 71 12.126 31.048 -17.143 1.00 0.00 H new ATOM 0 HA VAL A 71 10.090 30.461 -19.204 1.00 0.00 H new ATOM 0 HB VAL A 71 11.874 30.645 -20.933 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.961 33.127 -20.980 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.343 32.554 -20.511 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.461 33.176 -19.273 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.982 31.812 -20.354 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.484 31.863 -18.646 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.813 30.300 -19.431 1.00 0.00 H new ATOM 669 N SER A 72 10.966 28.117 -19.393 1.00 0.00 N ATOM 670 CA SER A 72 11.366 26.714 -19.315 1.00 0.00 C ATOM 671 C SER A 72 12.547 26.442 -20.240 1.00 0.00 C ATOM 672 O SER A 72 12.608 26.976 -21.348 1.00 0.00 O ATOM 673 CB SER A 72 10.193 25.816 -19.702 1.00 0.00 C ATOM 674 OG SER A 72 9.157 25.960 -18.739 1.00 0.00 O ATOM 0 H SER A 72 10.140 28.294 -19.964 1.00 0.00 H new ATOM 0 HA SER A 72 11.666 26.496 -18.290 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.825 26.084 -20.692 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.517 24.776 -19.753 1.00 0.00 H new ATOM 0 HG SER A 72 8.401 25.387 -18.984 1.00 0.00 H new ATOM 680 N VAL A 73 13.484 25.612 -19.788 1.00 0.00 N ATOM 681 CA VAL A 73 14.653 25.288 -20.596 1.00 0.00 C ATOM 682 C VAL A 73 14.266 24.343 -21.733 1.00 0.00 C ATOM 683 O VAL A 73 13.544 23.368 -21.523 1.00 0.00 O ATOM 684 CB VAL A 73 15.741 24.644 -19.720 1.00 0.00 C ATOM 685 CG1 VAL A 73 16.904 24.194 -20.614 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.244 25.662 -18.658 1.00 0.00 C ATOM 0 H VAL A 73 13.456 25.156 -18.876 1.00 0.00 H new ATOM 0 HA VAL A 73 15.046 26.209 -21.026 1.00 0.00 H new ATOM 0 HB VAL A 73 15.327 23.780 -19.201 1.00 0.00 H new ATOM 0 HG11 VAL A 73 17.679 23.736 -20.000 1.00 0.00 H new ATOM 0 HG12 VAL A 73 16.543 23.468 -21.343 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.317 25.057 -21.136 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.014 25.196 -18.043 1.00 0.00 H new ATOM 0 HG22 VAL A 73 16.660 26.536 -19.160 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.411 25.969 -18.025 1.00 0.00 H new ATOM 696 N SER A 74 14.757 24.634 -22.936 1.00 0.00 N ATOM 697 CA SER A 74 14.464 23.799 -24.097 1.00 0.00 C ATOM 698 C SER A 74 15.074 22.409 -23.937 1.00 0.00 C ATOM 699 O SER A 74 14.458 21.405 -24.297 1.00 0.00 O ATOM 700 CB SER A 74 15.009 24.456 -25.365 1.00 0.00 C ATOM 701 OG SER A 74 14.296 25.661 -25.610 1.00 0.00 O ATOM 0 H SER A 74 15.356 25.437 -23.131 1.00 0.00 H new ATOM 0 HA SER A 74 13.382 23.696 -24.177 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.073 24.665 -25.252 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.905 23.779 -26.213 1.00 0.00 H new ATOM 0 HG SER A 74 14.643 26.087 -26.421 1.00 0.00 H new ATOM 707 N ASP A 75 16.291 22.360 -23.401 1.00 0.00 N ATOM 708 CA ASP A 75 16.986 21.089 -23.197 1.00 0.00 C ATOM 709 C ASP A 75 17.853 21.147 -21.931 1.00 0.00 C ATOM 710 O ASP A 75 19.050 21.424 -22.010 1.00 0.00 O ATOM 711 CB ASP A 75 17.874 20.787 -24.409 1.00 0.00 C ATOM 712 CG ASP A 75 18.349 19.339 -24.349 1.00 0.00 C ATOM 713 OD1 ASP A 75 17.876 18.616 -23.488 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 19.177 18.974 -25.169 1.00 0.00 O ATOM 0 H ASP A 75 16.816 23.181 -23.101 1.00 0.00 H new ATOM 0 HA ASP A 75 16.243 20.301 -23.079 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.319 20.960 -25.331 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.731 21.461 -24.421 1.00 0.00 H new ATOM 719 N PRO A 76 17.278 20.897 -20.774 1.00 0.00 N ATOM 720 CA PRO A 76 18.031 20.933 -19.484 1.00 0.00 C ATOM 721 C PRO A 76 18.863 19.668 -19.271 1.00 0.00 C ATOM 722 O PRO A 76 18.322 18.565 -19.196 1.00 0.00 O ATOM 723 CB PRO A 76 16.925 21.064 -18.427 1.00 0.00 C ATOM 724 CG PRO A 76 15.711 20.429 -19.039 1.00 0.00 C ATOM 725 CD PRO A 76 15.857 20.554 -20.565 1.00 0.00 C ATOM 0 HA PRO A 76 18.754 21.748 -19.446 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.206 20.563 -17.501 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.739 22.109 -18.180 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.633 19.383 -18.744 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.803 20.925 -18.697 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.596 19.622 -21.066 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.199 21.326 -20.965 1.00 0.00 H new ATOM 733 N LYS A 77 20.180 19.840 -19.174 1.00 0.00 N ATOM 734 CA LYS A 77 21.087 18.710 -18.973 1.00 0.00 C ATOM 735 C LYS A 77 21.408 18.555 -17.492 1.00 0.00 C ATOM 736 O LYS A 77 22.209 19.306 -16.935 1.00 0.00 O ATOM 737 CB LYS A 77 22.386 18.937 -19.752 1.00 0.00 C ATOM 738 CG LYS A 77 22.085 19.211 -21.235 1.00 0.00 C ATOM 739 CD LYS A 77 21.681 17.916 -21.952 1.00 0.00 C ATOM 740 CE LYS A 77 21.499 18.197 -23.444 1.00 0.00 C ATOM 741 NZ LYS A 77 22.835 18.322 -24.089 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.642 20.747 -19.231 1.00 0.00 H new ATOM 0 HA LYS A 77 20.601 17.804 -19.334 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.931 19.778 -19.324 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.029 18.061 -19.661 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.284 19.945 -21.319 1.00 0.00 H new ATOM 0 HG3 LYS A 77 22.963 19.641 -21.717 1.00 0.00 H new ATOM 0 HD2 LYS A 77 22.445 17.152 -21.805 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.755 17.526 -21.528 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.931 17.392 -23.911 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.927 19.114 -23.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.729 18.258 -25.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.256 19.240 -23.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 23.454 17.555 -23.757 1.00 0.00 H new ATOM 755 N VAL A 78 20.773 17.570 -16.862 1.00 0.00 N ATOM 756 CA VAL A 78 20.982 17.305 -15.441 1.00 0.00 C ATOM 757 C VAL A 78 20.992 15.804 -15.177 1.00 0.00 C ATOM 758 O VAL A 78 20.562 15.014 -16.018 1.00 0.00 O ATOM 759 CB VAL A 78 19.880 17.976 -14.611 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.179 19.470 -14.468 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.523 17.798 -15.307 1.00 0.00 C ATOM 0 H VAL A 78 20.109 16.941 -17.314 1.00 0.00 H new ATOM 0 HA VAL A 78 21.947 17.718 -15.149 1.00 0.00 H new ATOM 0 HB VAL A 78 19.847 17.513 -13.625 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.394 19.943 -13.878 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.139 19.603 -13.968 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.217 19.930 -15.456 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.744 18.276 -14.713 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.558 18.256 -16.296 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.302 16.735 -15.407 1.00 0.00 H new ATOM 771 N ILE A 79 21.488 15.418 -14.000 1.00 0.00 N ATOM 772 CA ILE A 79 21.557 14.008 -13.620 1.00 0.00 C ATOM 773 C ILE A 79 20.747 13.745 -12.353 1.00 0.00 C ATOM 774 O ILE A 79 20.901 14.438 -11.347 1.00 0.00 O ATOM 775 CB ILE A 79 23.014 13.610 -13.401 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.575 14.346 -12.178 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.822 13.982 -14.647 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.094 14.175 -12.125 1.00 0.00 C ATOM 0 H ILE A 79 21.847 16.062 -13.295 1.00 0.00 H new ATOM 0 HA ILE A 79 21.132 13.408 -14.425 1.00 0.00 H new ATOM 0 HB ILE A 79 23.081 12.536 -13.226 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.320 15.405 -12.230 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.123 13.954 -11.267 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.865 13.702 -14.501 1.00 0.00 H new ATOM 0 HG22 ILE A 79 23.422 13.453 -15.512 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.755 15.057 -14.816 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.489 14.699 -11.255 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.339 13.115 -12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.538 14.588 -13.030 1.00 0.00 H new ATOM 790 N CYS A 80 19.866 12.754 -12.418 1.00 0.00 N ATOM 791 CA CYS A 80 19.026 12.418 -11.279 1.00 0.00 C ATOM 792 C CYS A 80 19.888 12.113 -10.059 1.00 0.00 C ATOM 793 O CYS A 80 21.085 11.848 -10.182 1.00 0.00 O ATOM 794 CB CYS A 80 18.143 11.209 -11.611 1.00 0.00 C ATOM 795 SG CYS A 80 19.131 9.694 -11.571 1.00 0.00 S ATOM 0 H CYS A 80 19.716 12.173 -13.243 1.00 0.00 H new ATOM 0 HA CYS A 80 18.387 13.272 -11.054 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.324 11.138 -10.895 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.695 11.335 -12.596 1.00 0.00 H new ATOM 0 HG CYS A 80 18.597 8.849 -10.740 1.00 0.00 H new ATOM 800 N ARG A 81 19.274 12.157 -8.885 1.00 0.00 N ATOM 801 CA ARG A 81 19.997 11.884 -7.649 1.00 0.00 C ATOM 802 C ARG A 81 20.370 10.407 -7.561 1.00 0.00 C ATOM 803 O ARG A 81 21.303 10.036 -6.850 1.00 0.00 O ATOM 804 CB ARG A 81 19.141 12.282 -6.444 1.00 0.00 C ATOM 805 CG ARG A 81 17.822 11.508 -6.472 1.00 0.00 C ATOM 806 CD ARG A 81 16.985 11.883 -5.250 1.00 0.00 C ATOM 807 NE ARG A 81 15.736 11.134 -5.250 1.00 0.00 N ATOM 808 CZ ARG A 81 14.863 11.252 -4.256 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.120 12.051 -3.256 1.00 0.00 N ATOM 810 NH2 ARG A 81 13.752 10.570 -4.279 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.286 12.377 -8.761 1.00 0.00 H new ATOM 0 HA ARG A 81 20.914 12.473 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.678 12.072 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.945 13.354 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 81 17.273 11.736 -7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.017 10.436 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.544 11.673 -4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.777 12.953 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 81 15.528 10.507 -6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.990 12.583 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.451 12.143 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.553 9.946 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.082 10.661 -3.515 1.00 0.00 H new ATOM 824 N THR A 82 19.632 9.573 -8.287 1.00 0.00 N ATOM 825 CA THR A 82 19.896 8.137 -8.287 1.00 0.00 C ATOM 826 C THR A 82 21.061 7.799 -9.220 1.00 0.00 C ATOM 827 O THR A 82 21.704 6.761 -9.064 1.00 0.00 O ATOM 828 CB THR A 82 18.641 7.368 -8.721 1.00 0.00 C ATOM 829 OG1 THR A 82 18.075 7.991 -9.858 1.00 0.00 O ATOM 830 CG2 THR A 82 17.611 7.366 -7.591 1.00 0.00 C ATOM 0 H THR A 82 18.853 9.863 -8.878 1.00 0.00 H new ATOM 0 HA THR A 82 20.166 7.840 -7.273 1.00 0.00 H new ATOM 0 HB THR A 82 18.920 6.342 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.228 8.418 -9.610 1.00 0.00 H new ATOM 0 HG21 THR A 82 16.724 6.818 -7.908 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.038 6.886 -6.710 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.336 8.392 -7.348 1.00 0.00 H new ATOM 838 N CYS A 83 21.335 8.682 -10.182 1.00 0.00 N ATOM 839 CA CYS A 83 22.433 8.452 -11.117 1.00 0.00 C ATOM 840 C CYS A 83 23.771 8.458 -10.379 1.00 0.00 C ATOM 841 O CYS A 83 24.532 7.495 -10.466 1.00 0.00 O ATOM 842 CB CYS A 83 22.426 9.538 -12.219 1.00 0.00 C ATOM 843 SG CYS A 83 21.673 8.894 -13.738 1.00 0.00 S ATOM 0 H CYS A 83 20.820 9.549 -10.332 1.00 0.00 H new ATOM 0 HA CYS A 83 22.298 7.475 -11.582 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.873 10.412 -11.874 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.446 9.866 -12.422 1.00 0.00 H new ATOM 0 HG CYS A 83 20.719 8.066 -13.432 1.00 0.00 H new ATOM 947 N SER A 90 32.662 -0.539 -9.231 1.00 0.00 N ATOM 948 CA SER A 90 32.126 -0.640 -10.589 1.00 0.00 C ATOM 949 C SER A 90 32.391 -2.023 -11.164 1.00 0.00 C ATOM 950 O SER A 90 33.312 -2.719 -10.741 1.00 0.00 O ATOM 951 CB SER A 90 32.772 0.416 -11.486 1.00 0.00 C ATOM 952 OG SER A 90 32.260 0.285 -12.806 1.00 0.00 O ATOM 0 HA SER A 90 31.050 -0.473 -10.548 1.00 0.00 H new ATOM 0 HB2 SER A 90 32.565 1.414 -11.100 1.00 0.00 H new ATOM 0 HB3 SER A 90 33.855 0.294 -11.489 1.00 0.00 H new ATOM 0 HG SER A 90 31.301 0.085 -12.767 1.00 0.00 H new ATOM 958 N ILE A 91 31.567 -2.418 -12.133 1.00 0.00 N ATOM 959 CA ILE A 91 31.705 -3.729 -12.773 1.00 0.00 C ATOM 960 C ILE A 91 31.715 -3.584 -14.290 1.00 0.00 C ATOM 961 O ILE A 91 30.891 -2.870 -14.858 1.00 0.00 O ATOM 962 CB ILE A 91 30.550 -4.632 -12.356 1.00 0.00 C ATOM 963 CG1 ILE A 91 30.575 -4.815 -10.840 1.00 0.00 C ATOM 964 CG2 ILE A 91 30.696 -5.998 -13.029 1.00 0.00 C ATOM 965 CD1 ILE A 91 29.299 -5.528 -10.399 1.00 0.00 C ATOM 0 H ILE A 91 30.798 -1.852 -12.493 1.00 0.00 H new ATOM 0 HA ILE A 91 32.648 -4.172 -12.455 1.00 0.00 H new ATOM 0 HB ILE A 91 29.607 -4.176 -12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 91 31.450 -5.395 -10.546 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.654 -3.847 -10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 91 29.869 -6.642 -12.729 1.00 0.00 H new ATOM 0 HG22 ILE A 91 30.685 -5.873 -14.112 1.00 0.00 H new ATOM 0 HG23 ILE A 91 31.639 -6.454 -12.726 1.00 0.00 H new ATOM 0 HD11 ILE A 91 29.312 -5.661 -9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 91 28.432 -4.930 -10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 91 29.241 -6.503 -10.884 1.00 0.00 H new ATOM 977 N TRP A 92 32.646 -4.274 -14.939 1.00 0.00 N ATOM 978 CA TRP A 92 32.749 -4.222 -16.394 1.00 0.00 C ATOM 979 C TRP A 92 31.788 -5.229 -17.032 1.00 0.00 C ATOM 980 O TRP A 92 31.796 -6.411 -16.689 1.00 0.00 O ATOM 981 CB TRP A 92 34.194 -4.529 -16.827 1.00 0.00 C ATOM 982 CG TRP A 92 34.235 -4.844 -18.292 1.00 0.00 C ATOM 983 CD1 TRP A 92 33.630 -4.114 -19.258 1.00 0.00 C ATOM 984 CD2 TRP A 92 34.887 -5.957 -18.968 1.00 0.00 C ATOM 985 NE1 TRP A 92 33.867 -4.711 -20.483 1.00 0.00 N ATOM 986 CE2 TRP A 92 34.639 -5.848 -20.356 1.00 0.00 C ATOM 987 CE3 TRP A 92 35.662 -7.041 -18.516 1.00 0.00 C ATOM 988 CZ2 TRP A 92 35.141 -6.781 -21.265 1.00 0.00 C ATOM 989 CZ3 TRP A 92 36.169 -7.981 -19.428 1.00 0.00 C ATOM 990 CH2 TRP A 92 35.910 -7.852 -20.800 1.00 0.00 C ATOM 0 H TRP A 92 33.336 -4.872 -14.485 1.00 0.00 H new ATOM 0 HA TRP A 92 32.479 -3.221 -16.729 1.00 0.00 H new ATOM 0 HB2 TRP A 92 34.836 -3.675 -16.612 1.00 0.00 H new ATOM 0 HB3 TRP A 92 34.583 -5.371 -16.255 1.00 0.00 H new ATOM 0 HD1 TRP A 92 33.056 -3.213 -19.098 1.00 0.00 H new ATOM 0 HE1 TRP A 92 33.514 -4.355 -21.371 1.00 0.00 H new ATOM 0 HE3 TRP A 92 35.868 -7.151 -17.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 34.937 -6.676 -22.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 36.763 -8.809 -19.070 1.00 0.00 H new ATOM 0 HH2 TRP A 92 36.304 -8.578 -21.496 1.00 0.00 H new ATOM 1001 N CYS A 93 30.975 -4.749 -17.975 1.00 0.00 N ATOM 1002 CA CYS A 93 30.022 -5.609 -18.681 1.00 0.00 C ATOM 1003 C CYS A 93 30.542 -5.916 -20.077 1.00 0.00 C ATOM 1004 O CYS A 93 31.048 -5.034 -20.768 1.00 0.00 O ATOM 1005 CB CYS A 93 28.662 -4.921 -18.795 1.00 0.00 C ATOM 1006 SG CYS A 93 27.603 -5.845 -19.941 1.00 0.00 S ATOM 0 H CYS A 93 30.957 -3.772 -18.267 1.00 0.00 H new ATOM 0 HA CYS A 93 29.908 -6.534 -18.116 1.00 0.00 H new ATOM 0 HB2 CYS A 93 28.190 -4.863 -17.814 1.00 0.00 H new ATOM 0 HB3 CYS A 93 28.790 -3.898 -19.148 1.00 0.00 H new ATOM 0 HG CYS A 93 26.710 -5.047 -20.446 1.00 0.00 H new ATOM 1011 N THR A 94 30.407 -7.171 -20.491 1.00 0.00 N ATOM 1012 CA THR A 94 30.859 -7.588 -21.817 1.00 0.00 C ATOM 1013 C THR A 94 29.686 -7.631 -22.791 1.00 0.00 C ATOM 1014 O THR A 94 29.875 -7.774 -23.999 1.00 0.00 O ATOM 1015 CB THR A 94 31.502 -8.973 -21.729 1.00 0.00 C ATOM 1016 OG1 THR A 94 30.485 -9.965 -21.754 1.00 0.00 O ATOM 1017 CG2 THR A 94 32.298 -9.088 -20.429 1.00 0.00 C ATOM 0 H THR A 94 29.991 -7.916 -19.932 1.00 0.00 H new ATOM 0 HA THR A 94 31.591 -6.867 -22.180 1.00 0.00 H new ATOM 0 HB THR A 94 32.174 -9.117 -22.575 1.00 0.00 H new ATOM 0 HG1 THR A 94 30.854 -10.819 -21.446 1.00 0.00 H new ATOM 0 HG21 THR A 94 32.755 -10.076 -20.368 1.00 0.00 H new ATOM 0 HG22 THR A 94 33.077 -8.326 -20.411 1.00 0.00 H new ATOM 0 HG23 THR A 94 31.630 -8.945 -19.580 1.00 0.00 H new ATOM 1025 N ALA A 95 28.469 -7.509 -22.258 1.00 0.00 N ATOM 1026 CA ALA A 95 27.270 -7.536 -23.091 1.00 0.00 C ATOM 1027 C ALA A 95 26.966 -6.145 -23.638 1.00 0.00 C ATOM 1028 O ALA A 95 26.426 -6.007 -24.735 1.00 0.00 O ATOM 1029 CB ALA A 95 26.077 -8.033 -22.269 1.00 0.00 C ATOM 0 H ALA A 95 28.290 -7.391 -21.261 1.00 0.00 H new ATOM 0 HA ALA A 95 27.445 -8.213 -23.927 1.00 0.00 H new ATOM 0 HB1 ALA A 95 25.185 -8.051 -22.896 1.00 0.00 H new ATOM 0 HB2 ALA A 95 26.282 -9.038 -21.901 1.00 0.00 H new ATOM 0 HB3 ALA A 95 25.913 -7.364 -21.424 1.00 0.00 H new ATOM 1035 N CYS A 96 27.321 -5.117 -22.868 1.00 0.00 N ATOM 1036 CA CYS A 96 27.089 -3.731 -23.283 1.00 0.00 C ATOM 1037 C CYS A 96 28.373 -3.117 -23.831 1.00 0.00 C ATOM 1038 O CYS A 96 28.329 -2.261 -24.712 1.00 0.00 O ATOM 1039 CB CYS A 96 26.593 -2.905 -22.094 1.00 0.00 C ATOM 1040 SG CYS A 96 25.028 -3.589 -21.497 1.00 0.00 S ATOM 0 H CYS A 96 27.769 -5.215 -21.957 1.00 0.00 H new ATOM 0 HA CYS A 96 26.332 -3.727 -24.067 1.00 0.00 H new ATOM 0 HB2 CYS A 96 27.335 -2.915 -21.296 1.00 0.00 H new ATOM 0 HB3 CYS A 96 26.458 -1.865 -22.391 1.00 0.00 H new ATOM 0 HG CYS A 96 25.044 -3.639 -20.198 1.00 0.00 H new ATOM 1045 N GLN A 97 29.509 -3.559 -23.289 1.00 0.00 N ATOM 1046 CA GLN A 97 30.819 -3.056 -23.712 1.00 0.00 C ATOM 1047 C GLN A 97 31.096 -1.702 -23.063 1.00 0.00 C ATOM 1048 O GLN A 97 31.839 -0.884 -23.602 1.00 0.00 O ATOM 1049 CB GLN A 97 30.875 -2.922 -25.245 1.00 0.00 C ATOM 1050 CG GLN A 97 32.329 -2.966 -25.727 1.00 0.00 C ATOM 1051 CD GLN A 97 32.372 -2.803 -27.241 1.00 0.00 C ATOM 1052 OE1 GLN A 97 31.922 -1.786 -27.770 1.00 0.00 O ATOM 1053 NE2 GLN A 97 32.886 -3.750 -27.977 1.00 0.00 N ATOM 0 H GLN A 97 29.549 -4.266 -22.555 1.00 0.00 H new ATOM 0 HA GLN A 97 31.581 -3.767 -23.394 1.00 0.00 H new ATOM 0 HB2 GLN A 97 30.306 -3.728 -25.709 1.00 0.00 H new ATOM 0 HB3 GLN A 97 30.410 -1.985 -25.553 1.00 0.00 H new ATOM 0 HG2 GLN A 97 32.905 -2.173 -25.250 1.00 0.00 H new ATOM 0 HG3 GLN A 97 32.789 -3.911 -25.440 1.00 0.00 H new ATOM 0 HE21 GLN A 97 33.258 -4.592 -27.538 1.00 0.00 H new ATOM 0 HE22 GLN A 97 32.915 -3.648 -28.991 1.00 0.00 H new ATOM 1062 N GLN A 98 30.489 -1.470 -21.900 1.00 0.00 N ATOM 1063 CA GLN A 98 30.670 -0.206 -21.184 1.00 0.00 C ATOM 1064 C GLN A 98 30.768 -0.456 -19.682 1.00 0.00 C ATOM 1065 O GLN A 98 30.288 -1.471 -19.178 1.00 0.00 O ATOM 1066 CB GLN A 98 29.493 0.731 -21.478 1.00 0.00 C ATOM 1067 CG GLN A 98 29.790 2.123 -20.915 1.00 0.00 C ATOM 1068 CD GLN A 98 28.692 3.098 -21.327 1.00 0.00 C ATOM 1069 OE1 GLN A 98 27.931 2.826 -22.255 1.00 0.00 O ATOM 1070 NE2 GLN A 98 28.565 4.229 -20.686 1.00 0.00 N ATOM 0 H GLN A 98 29.871 -2.135 -21.435 1.00 0.00 H new ATOM 0 HA GLN A 98 31.595 0.259 -21.524 1.00 0.00 H new ATOM 0 HB2 GLN A 98 29.323 0.791 -22.553 1.00 0.00 H new ATOM 0 HB3 GLN A 98 28.580 0.335 -21.033 1.00 0.00 H new ATOM 0 HG2 GLN A 98 29.858 2.078 -19.828 1.00 0.00 H new ATOM 0 HG3 GLN A 98 30.755 2.474 -21.281 1.00 0.00 H new ATOM 0 HE21 GLN A 98 29.197 4.453 -19.917 1.00 0.00 H new ATOM 0 HE22 GLN A 98 27.834 4.888 -20.954 1.00 0.00 H new ATOM 1079 N THR A 99 31.395 0.478 -18.975 1.00 0.00 N ATOM 1080 CA THR A 99 31.557 0.362 -17.529 1.00 0.00 C ATOM 1081 C THR A 99 30.328 0.898 -16.809 1.00 0.00 C ATOM 1082 O THR A 99 29.768 1.925 -17.192 1.00 0.00 O ATOM 1083 CB THR A 99 32.791 1.141 -17.076 1.00 0.00 C ATOM 1084 OG1 THR A 99 33.925 0.695 -17.807 1.00 0.00 O ATOM 1085 CG2 THR A 99 33.018 0.907 -15.582 1.00 0.00 C ATOM 0 H THR A 99 31.799 1.323 -19.379 1.00 0.00 H new ATOM 0 HA THR A 99 31.681 -0.692 -17.281 1.00 0.00 H new ATOM 0 HB THR A 99 32.640 2.205 -17.257 1.00 0.00 H new ATOM 0 HG1 THR A 99 34.717 1.195 -17.519 1.00 0.00 H new ATOM 0 HG21 THR A 99 33.898 1.462 -15.256 1.00 0.00 H new ATOM 0 HG22 THR A 99 32.146 1.249 -15.024 1.00 0.00 H new ATOM 0 HG23 THR A 99 33.172 -0.157 -15.400 1.00 0.00 H new ATOM 1093 N LYS A 100 29.911 0.192 -15.760 1.00 0.00 N ATOM 1094 CA LYS A 100 28.744 0.594 -14.978 1.00 0.00 C ATOM 1095 C LYS A 100 29.025 0.477 -13.494 1.00 0.00 C ATOM 1096 O LYS A 100 29.769 -0.400 -13.050 1.00 0.00 O ATOM 1097 CB LYS A 100 27.544 -0.282 -15.326 1.00 0.00 C ATOM 1098 CG LYS A 100 27.105 -0.040 -16.774 1.00 0.00 C ATOM 1099 CD LYS A 100 26.569 1.395 -16.938 1.00 0.00 C ATOM 1100 CE LYS A 100 25.642 1.459 -18.147 1.00 0.00 C ATOM 1101 NZ LYS A 100 25.126 2.848 -18.308 1.00 0.00 N1+ ATOM 0 H LYS A 100 30.364 -0.661 -15.432 1.00 0.00 H new ATOM 0 HA LYS A 100 28.522 1.633 -15.221 1.00 0.00 H new ATOM 0 HB2 LYS A 100 27.801 -1.332 -15.188 1.00 0.00 H new ATOM 0 HB3 LYS A 100 26.719 -0.064 -14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 100 27.947 -0.200 -17.448 1.00 0.00 H new ATOM 0 HG3 LYS A 100 26.333 -0.758 -17.052 1.00 0.00 H new ATOM 0 HD2 LYS A 100 26.033 1.699 -16.039 1.00 0.00 H new ATOM 0 HD3 LYS A 100 27.398 2.091 -17.065 1.00 0.00 H new ATOM 0 HE2 LYS A 100 26.178 1.153 -19.045 1.00 0.00 H new ATOM 0 HE3 LYS A 100 24.812 0.764 -18.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 24.494 2.890 -19.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 24.600 3.124 -17.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 25.924 3.500 -18.449 1.00 0.00 H new ATOM 1115 N GLY A 101 28.421 1.375 -12.732 1.00 0.00 N ATOM 1116 CA GLY A 101 28.607 1.380 -11.288 1.00 0.00 C ATOM 1117 C GLY A 101 27.901 0.198 -10.643 1.00 0.00 C ATOM 1118 O GLY A 101 27.112 -0.498 -11.284 1.00 0.00 O ATOM 0 H GLY A 101 27.802 2.105 -13.085 1.00 0.00 H new ATOM 0 HA2 GLY A 101 29.671 1.344 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.221 2.310 -10.871 1.00 0.00 H new ATOM 1122 N ILE A 102 28.191 -0.021 -9.367 1.00 0.00 N ATOM 1123 CA ILE A 102 27.580 -1.120 -8.630 1.00 0.00 C ATOM 1124 C ILE A 102 26.098 -0.854 -8.386 1.00 0.00 C ATOM 1125 O ILE A 102 25.317 -1.784 -8.183 1.00 0.00 O ATOM 1126 CB ILE A 102 28.299 -1.331 -7.295 1.00 0.00 C ATOM 1127 CG1 ILE A 102 27.756 -2.594 -6.617 1.00 0.00 C ATOM 1128 CG2 ILE A 102 28.069 -0.121 -6.387 1.00 0.00 C ATOM 1129 CD1 ILE A 102 28.709 -3.028 -5.501 1.00 0.00 C ATOM 0 H ILE A 102 28.842 0.545 -8.823 1.00 0.00 H new ATOM 0 HA ILE A 102 27.675 -2.024 -9.232 1.00 0.00 H new ATOM 0 HB ILE A 102 29.368 -1.446 -7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 102 26.764 -2.401 -6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 102 27.649 -3.394 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE A 102 28.582 -0.275 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 102 28.459 0.775 -6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 102 27.001 0.000 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 102 28.321 -3.926 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 102 29.692 -3.238 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 102 28.794 -2.230 -4.764 1.00 0.00 H new ATOM 1141 N ASN A 103 25.715 0.419 -8.396 1.00 0.00 N ATOM 1142 CA ASN A 103 24.323 0.792 -8.164 1.00 0.00 C ATOM 1143 C ASN A 103 23.413 0.234 -9.258 1.00 0.00 C ATOM 1144 O ASN A 103 22.329 -0.272 -8.975 1.00 0.00 O ATOM 1145 CB ASN A 103 24.202 2.317 -8.136 1.00 0.00 C ATOM 1146 CG ASN A 103 24.904 2.881 -6.904 1.00 0.00 C ATOM 1147 OD1 ASN A 103 24.959 2.177 -5.807 1.00 0.00 O flip ATOM 1148 ND2 ASN A 103 25.418 4.000 -6.945 1.00 0.00 N flip ATOM 0 H ASN A 103 26.344 1.205 -8.561 1.00 0.00 H new ATOM 0 HA ASN A 103 24.011 0.372 -7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 103 24.642 2.740 -9.039 1.00 0.00 H new ATOM 0 HB3 ASN A 103 23.151 2.605 -8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 103 25.375 4.550 -7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 103 25.887 4.376 -6.121 1.00 0.00 H new ATOM 1155 N GLU A 104 23.862 0.329 -10.507 1.00 0.00 N ATOM 1156 CA GLU A 104 23.080 -0.168 -11.640 1.00 0.00 C ATOM 1157 C GLU A 104 23.400 -1.628 -11.904 1.00 0.00 C ATOM 1158 O GLU A 104 23.062 -2.166 -12.958 1.00 0.00 O ATOM 1159 CB GLU A 104 23.389 0.662 -12.889 1.00 0.00 C ATOM 1160 CG GLU A 104 22.923 2.106 -12.677 1.00 0.00 C ATOM 1161 CD GLU A 104 21.404 2.157 -12.542 1.00 0.00 C ATOM 1162 OE1 GLU A 104 20.761 1.211 -12.965 1.00 0.00 O ATOM 1163 OE2 GLU A 104 20.908 3.138 -12.015 1.00 0.00 O1- ATOM 0 H GLU A 104 24.759 0.743 -10.761 1.00 0.00 H new ATOM 0 HA GLU A 104 22.021 -0.078 -11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 104 24.459 0.642 -13.096 1.00 0.00 H new ATOM 0 HB3 GLU A 104 22.889 0.232 -13.756 1.00 0.00 H new ATOM 0 HG2 GLU A 104 23.389 2.518 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 104 23.242 2.725 -13.516 1.00 0.00 H new ATOM 1170 N PHE A 105 24.066 -2.264 -10.942 1.00 0.00 N ATOM 1171 CA PHE A 105 24.447 -3.670 -11.072 1.00 0.00 C ATOM 1172 C PHE A 105 23.911 -4.486 -9.894 1.00 0.00 C ATOM 1173 O PHE A 105 23.947 -4.042 -8.745 1.00 0.00 O ATOM 1174 CB PHE A 105 25.989 -3.770 -11.143 1.00 0.00 C ATOM 1175 CG PHE A 105 26.416 -4.371 -12.468 1.00 0.00 C ATOM 1176 CD1 PHE A 105 26.023 -5.671 -12.791 1.00 0.00 C ATOM 1177 CD2 PHE A 105 27.191 -3.629 -13.368 1.00 0.00 C ATOM 1178 CE1 PHE A 105 26.405 -6.236 -14.011 1.00 0.00 C ATOM 1179 CE2 PHE A 105 27.574 -4.192 -14.587 1.00 0.00 C ATOM 1180 CZ PHE A 105 27.181 -5.496 -14.911 1.00 0.00 C ATOM 0 H PHE A 105 24.353 -1.829 -10.065 1.00 0.00 H new ATOM 0 HA PHE A 105 24.013 -4.078 -11.985 1.00 0.00 H new ATOM 0 HB2 PHE A 105 26.430 -2.780 -11.026 1.00 0.00 H new ATOM 0 HB3 PHE A 105 26.359 -4.383 -10.321 1.00 0.00 H new ATOM 0 HD1 PHE A 105 25.423 -6.241 -12.097 1.00 0.00 H new ATOM 0 HD2 PHE A 105 27.492 -2.622 -13.119 1.00 0.00 H new ATOM 0 HE1 PHE A 105 26.102 -7.242 -14.259 1.00 0.00 H new ATOM 0 HE2 PHE A 105 28.174 -3.621 -15.280 1.00 0.00 H new ATOM 0 HZ PHE A 105 27.476 -5.931 -15.855 1.00 0.00 H new ATOM 1190 N SER A 106 23.420 -5.685 -10.196 1.00 0.00 N ATOM 1191 CA SER A 106 22.887 -6.566 -9.166 1.00 0.00 C ATOM 1192 C SER A 106 24.026 -7.239 -8.398 1.00 0.00 C ATOM 1193 O SER A 106 25.163 -7.286 -8.866 1.00 0.00 O ATOM 1194 CB SER A 106 21.987 -7.624 -9.803 1.00 0.00 C ATOM 1195 OG SER A 106 20.720 -7.050 -10.089 1.00 0.00 O ATOM 0 H SER A 106 23.381 -6.066 -11.141 1.00 0.00 H new ATOM 0 HA SER A 106 22.300 -5.972 -8.466 1.00 0.00 H new ATOM 0 HB2 SER A 106 22.443 -8.003 -10.718 1.00 0.00 H new ATOM 0 HB3 SER A 106 21.871 -8.473 -9.129 1.00 0.00 H new ATOM 0 HG SER A 106 20.092 -7.756 -10.349 1.00 0.00 H new ATOM 1201 N LYS A 107 23.703 -7.759 -7.222 1.00 0.00 N ATOM 1202 CA LYS A 107 24.694 -8.433 -6.391 1.00 0.00 C ATOM 1203 C LYS A 107 25.111 -9.766 -7.016 1.00 0.00 C ATOM 1204 O LYS A 107 26.292 -10.105 -7.048 1.00 0.00 O ATOM 1205 CB LYS A 107 24.126 -8.670 -4.987 1.00 0.00 C ATOM 1206 CG LYS A 107 24.143 -7.362 -4.186 1.00 0.00 C ATOM 1207 CD LYS A 107 23.194 -6.344 -4.826 1.00 0.00 C ATOM 1208 CE LYS A 107 22.924 -5.208 -3.838 1.00 0.00 C ATOM 1209 NZ LYS A 107 22.267 -5.759 -2.620 1.00 0.00 N1+ ATOM 0 H LYS A 107 22.765 -7.728 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 107 25.575 -7.795 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 107 23.107 -9.050 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 107 24.714 -9.429 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 107 23.844 -7.553 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 107 25.155 -6.958 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 107 23.633 -5.947 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 107 22.258 -6.828 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 107 23.858 -4.715 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 107 22.286 -4.454 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 21.686 -5.020 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.662 -6.562 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 22.994 -6.080 -1.949 1.00 0.00 H new ATOM 1223 N ALA A 108 24.129 -10.519 -7.501 1.00 0.00 N ATOM 1224 CA ALA A 108 24.403 -11.817 -8.113 1.00 0.00 C ATOM 1225 C ALA A 108 25.263 -11.659 -9.364 1.00 0.00 C ATOM 1226 O ALA A 108 26.032 -12.555 -9.717 1.00 0.00 O ATOM 1227 CB ALA A 108 23.089 -12.510 -8.474 1.00 0.00 C ATOM 0 H ALA A 108 23.143 -10.257 -7.483 1.00 0.00 H new ATOM 0 HA ALA A 108 24.950 -12.426 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 108 23.301 -13.477 -8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 108 22.495 -12.656 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 108 22.533 -11.891 -9.178 1.00 0.00 H new ATOM 1233 N GLN A 109 25.123 -10.522 -10.032 1.00 0.00 N ATOM 1234 CA GLN A 109 25.884 -10.252 -11.249 1.00 0.00 C ATOM 1235 C GLN A 109 27.390 -10.324 -10.956 1.00 0.00 C ATOM 1236 O GLN A 109 28.199 -10.605 -11.840 1.00 0.00 O ATOM 1237 CB GLN A 109 25.489 -8.866 -11.796 1.00 0.00 C ATOM 1238 CG GLN A 109 24.437 -9.012 -12.907 1.00 0.00 C ATOM 1239 CD GLN A 109 23.211 -9.754 -12.385 1.00 0.00 C ATOM 1240 OE1 GLN A 109 23.338 -10.755 -11.680 1.00 0.00 O ATOM 1241 NE2 GLN A 109 22.020 -9.316 -12.688 1.00 0.00 N ATOM 0 H GLN A 109 24.491 -9.771 -9.754 1.00 0.00 H new ATOM 0 HA GLN A 109 25.655 -11.005 -12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 109 25.093 -8.248 -10.990 1.00 0.00 H new ATOM 0 HB3 GLN A 109 26.370 -8.356 -12.185 1.00 0.00 H new ATOM 0 HG2 GLN A 109 24.146 -8.027 -13.272 1.00 0.00 H new ATOM 0 HG3 GLN A 109 24.864 -9.552 -13.752 1.00 0.00 H new ATOM 0 HE21 GLN A 109 21.915 -8.486 -13.272 1.00 0.00 H new ATOM 0 HE22 GLN A 109 21.194 -9.803 -12.341 1.00 0.00 H new ATOM 1250 N ARG A 110 27.755 -10.071 -9.709 1.00 0.00 N ATOM 1251 CA ARG A 110 29.156 -10.135 -9.300 1.00 0.00 C ATOM 1252 C ARG A 110 29.629 -11.587 -9.222 1.00 0.00 C ATOM 1253 O ARG A 110 30.772 -11.896 -9.554 1.00 0.00 O ATOM 1254 CB ARG A 110 29.348 -9.444 -7.948 1.00 0.00 C ATOM 1255 CG ARG A 110 29.207 -7.935 -8.131 1.00 0.00 C ATOM 1256 CD ARG A 110 29.261 -7.248 -6.770 1.00 0.00 C ATOM 1257 NE ARG A 110 30.562 -7.467 -6.153 1.00 0.00 N ATOM 1258 CZ ARG A 110 30.808 -7.060 -4.915 1.00 0.00 C ATOM 1259 NH1 ARG A 110 29.879 -6.450 -4.233 1.00 0.00 N ATOM 1260 NH2 ARG A 110 31.980 -7.272 -4.380 1.00 0.00 N1+ ATOM 0 H ARG A 110 27.106 -9.820 -8.963 1.00 0.00 H new ATOM 0 HA ARG A 110 29.755 -9.616 -10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 110 28.609 -9.806 -7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 110 30.330 -9.683 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 110 30.005 -7.560 -8.771 1.00 0.00 H new ATOM 0 HG3 ARG A 110 28.265 -7.705 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 110 29.079 -6.179 -6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 110 28.473 -7.638 -6.125 1.00 0.00 H new ATOM 0 HE ARG A 110 31.295 -7.941 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 110 28.963 -6.286 -4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 110 30.068 -6.137 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 110 32.705 -7.750 -4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 110 32.170 -6.959 -3.428 1.00 0.00 H new ATOM 1274 N HIS A 111 28.742 -12.469 -8.765 1.00 0.00 N ATOM 1275 CA HIS A 111 29.076 -13.887 -8.628 1.00 0.00 C ATOM 1276 C HIS A 111 29.454 -14.505 -9.974 1.00 0.00 C ATOM 1277 O HIS A 111 30.423 -15.256 -10.067 1.00 0.00 O ATOM 1278 CB HIS A 111 27.889 -14.650 -8.037 1.00 0.00 C ATOM 1279 CG HIS A 111 28.279 -16.087 -7.818 1.00 0.00 C ATOM 1280 ND1 HIS A 111 28.234 -17.028 -8.836 1.00 0.00 N ATOM 1281 CD2 HIS A 111 28.724 -16.758 -6.707 1.00 0.00 C ATOM 1282 CE1 HIS A 111 28.642 -18.202 -8.321 1.00 0.00 C ATOM 1283 NE2 HIS A 111 28.952 -18.093 -7.026 1.00 0.00 N ATOM 0 H HIS A 111 27.791 -12.229 -8.484 1.00 0.00 H new ATOM 0 HA HIS A 111 29.935 -13.962 -7.961 1.00 0.00 H new ATOM 0 HB2 HIS A 111 27.584 -14.196 -7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 111 27.034 -14.592 -8.710 1.00 0.00 H new ATOM 0 HD2 HIS A 111 28.874 -16.317 -5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 111 28.711 -19.120 -8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 111 29.284 -18.830 -6.405 1.00 0.00 H new ATOM 1291 N VAL A 112 28.683 -14.190 -11.010 1.00 0.00 N ATOM 1292 CA VAL A 112 28.952 -14.729 -12.335 1.00 0.00 C ATOM 1293 C VAL A 112 30.261 -14.169 -12.878 1.00 0.00 C ATOM 1294 O VAL A 112 30.623 -13.025 -12.601 1.00 0.00 O ATOM 1295 CB VAL A 112 27.800 -14.381 -13.280 1.00 0.00 C ATOM 1296 CG1 VAL A 112 26.515 -15.040 -12.778 1.00 0.00 C ATOM 1297 CG2 VAL A 112 27.593 -12.872 -13.290 1.00 0.00 C ATOM 0 H VAL A 112 27.875 -13.570 -10.957 1.00 0.00 H new ATOM 0 HA VAL A 112 29.040 -15.813 -12.264 1.00 0.00 H new ATOM 0 HB VAL A 112 28.039 -14.736 -14.283 1.00 0.00 H new ATOM 0 HG11 VAL A 112 25.693 -14.793 -13.450 1.00 0.00 H new ATOM 0 HG12 VAL A 112 26.648 -16.121 -12.749 1.00 0.00 H new ATOM 0 HG13 VAL A 112 26.287 -14.676 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 112 26.773 -12.622 -13.963 1.00 0.00 H new ATOM 0 HG22 VAL A 112 27.353 -12.531 -12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 112 28.505 -12.382 -13.632 1.00 0.00 H new ATOM 1307 N LEU A 113 30.965 -14.986 -13.647 1.00 0.00 N ATOM 1308 CA LEU A 113 32.236 -14.573 -14.222 1.00 0.00 C ATOM 1309 C LEU A 113 32.025 -13.453 -15.232 1.00 0.00 C ATOM 1310 O LEU A 113 32.945 -12.686 -15.519 1.00 0.00 O ATOM 1311 CB LEU A 113 32.910 -15.768 -14.906 1.00 0.00 C ATOM 1312 CG LEU A 113 33.568 -16.662 -13.851 1.00 0.00 C ATOM 1313 CD1 LEU A 113 32.508 -17.145 -12.854 1.00 0.00 C ATOM 1314 CD2 LEU A 113 34.212 -17.866 -14.542 1.00 0.00 C ATOM 0 H LEU A 113 30.679 -15.935 -13.887 1.00 0.00 H new ATOM 0 HA LEU A 113 32.878 -14.205 -13.421 1.00 0.00 H new ATOM 0 HB2 LEU A 113 32.174 -16.338 -15.472 1.00 0.00 H new ATOM 0 HB3 LEU A 113 33.658 -15.418 -15.618 1.00 0.00 H new ATOM 0 HG LEU A 113 34.332 -16.097 -13.316 1.00 0.00 H new ATOM 0 HD11 LEU A 113 32.977 -17.781 -12.104 1.00 0.00 H new ATOM 0 HD12 LEU A 113 32.050 -16.285 -12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 113 31.742 -17.712 -13.383 1.00 0.00 H new ATOM 0 HD21 LEU A 113 34.682 -18.506 -13.795 1.00 0.00 H new ATOM 0 HD22 LEU A 113 33.448 -18.431 -15.075 1.00 0.00 H new ATOM 0 HD23 LEU A 113 34.966 -17.520 -15.249 1.00 0.00 H new ATOM 1326 N ASP A 114 30.812 -13.364 -15.779 1.00 0.00 N ATOM 1327 CA ASP A 114 30.490 -12.333 -16.769 1.00 0.00 C ATOM 1328 C ASP A 114 29.266 -11.530 -16.331 1.00 0.00 C ATOM 1329 O ASP A 114 28.148 -11.798 -16.774 1.00 0.00 O ATOM 1330 CB ASP A 114 30.206 -12.988 -18.121 1.00 0.00 C ATOM 1331 CG ASP A 114 30.069 -11.914 -19.196 1.00 0.00 C ATOM 1332 OD1 ASP A 114 29.426 -10.914 -18.925 1.00 0.00 O ATOM 1333 OD2 ASP A 114 30.613 -12.106 -20.270 1.00 0.00 O1- ATOM 0 H ASP A 114 30.039 -13.990 -15.555 1.00 0.00 H new ATOM 0 HA ASP A 114 31.342 -11.659 -16.856 1.00 0.00 H new ATOM 0 HB2 ASP A 114 31.013 -13.674 -18.380 1.00 0.00 H new ATOM 0 HB3 ASP A 114 29.291 -13.578 -18.065 1.00 0.00 H new ATOM 1338 N PRO A 115 29.456 -10.554 -15.479 1.00 0.00 N ATOM 1339 CA PRO A 115 28.341 -9.693 -14.981 1.00 0.00 C ATOM 1340 C PRO A 115 27.596 -9.003 -16.124 1.00 0.00 C ATOM 1341 O PRO A 115 28.201 -8.585 -17.110 1.00 0.00 O ATOM 1342 CB PRO A 115 29.047 -8.660 -14.079 1.00 0.00 C ATOM 1343 CG PRO A 115 30.355 -9.286 -13.711 1.00 0.00 C ATOM 1344 CD PRO A 115 30.748 -10.169 -14.893 1.00 0.00 C ATOM 0 HA PRO A 115 27.581 -10.271 -14.455 1.00 0.00 H new ATOM 0 HB2 PRO A 115 29.196 -7.716 -14.604 1.00 0.00 H new ATOM 0 HB3 PRO A 115 28.452 -8.441 -13.192 1.00 0.00 H new ATOM 0 HG2 PRO A 115 31.113 -8.525 -13.524 1.00 0.00 H new ATOM 0 HG3 PRO A 115 30.262 -9.875 -12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 115 31.368 -9.629 -15.609 1.00 0.00 H new ATOM 0 HD3 PRO A 115 31.318 -11.040 -14.571 1.00 0.00 H new ATOM 1352 N ARG A 116 26.277 -8.893 -15.981 1.00 0.00 N ATOM 1353 CA ARG A 116 25.443 -8.256 -17.001 1.00 0.00 C ATOM 1354 C ARG A 116 24.547 -7.192 -16.371 1.00 0.00 C ATOM 1355 O ARG A 116 23.739 -7.491 -15.493 1.00 0.00 O ATOM 1356 CB ARG A 116 24.574 -9.317 -17.678 1.00 0.00 C ATOM 1357 CG ARG A 116 25.471 -10.322 -18.405 1.00 0.00 C ATOM 1358 CD ARG A 116 24.606 -11.371 -19.103 1.00 0.00 C ATOM 1359 NE ARG A 116 25.453 -12.371 -19.743 1.00 0.00 N ATOM 1360 CZ ARG A 116 24.955 -13.233 -20.625 1.00 0.00 C ATOM 1361 NH1 ARG A 116 23.689 -13.186 -20.936 1.00 0.00 N ATOM 1362 NH2 ARG A 116 25.730 -14.126 -21.176 1.00 0.00 N1+ ATOM 0 H ARG A 116 25.762 -9.236 -15.170 1.00 0.00 H new ATOM 0 HA ARG A 116 26.089 -7.779 -17.738 1.00 0.00 H new ATOM 0 HB2 ARG A 116 23.962 -9.830 -16.936 1.00 0.00 H new ATOM 0 HB3 ARG A 116 23.890 -8.846 -18.384 1.00 0.00 H new ATOM 0 HG2 ARG A 116 26.095 -9.806 -19.135 1.00 0.00 H new ATOM 0 HG3 ARG A 116 26.143 -10.804 -17.695 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.947 -11.850 -18.379 1.00 0.00 H new ATOM 0 HD3 ARG A 116 23.969 -10.892 -19.847 1.00 0.00 H new ATOM 0 HE ARG A 116 26.445 -12.410 -19.510 1.00 0.00 H new ATOM 0 HH11 ARG A 116 23.083 -12.489 -20.503 1.00 0.00 H new ATOM 0 HH12 ARG A 116 23.305 -13.846 -21.612 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.719 -14.164 -20.931 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.347 -14.786 -21.852 1.00 0.00 H new ATOM 1376 N CYS A 117 24.687 -5.951 -16.833 1.00 0.00 N ATOM 1377 CA CYS A 117 23.878 -4.852 -16.313 1.00 0.00 C ATOM 1378 C CYS A 117 22.388 -5.183 -16.410 1.00 0.00 C ATOM 1379 O CYS A 117 21.964 -5.952 -17.272 1.00 0.00 O ATOM 1380 CB CYS A 117 24.164 -3.558 -17.101 1.00 0.00 C ATOM 1381 SG CYS A 117 25.839 -3.617 -17.775 1.00 0.00 S ATOM 0 H CYS A 117 25.349 -5.683 -17.562 1.00 0.00 H new ATOM 0 HA CYS A 117 24.142 -4.706 -15.266 1.00 0.00 H new ATOM 0 HB2 CYS A 117 23.440 -3.444 -17.908 1.00 0.00 H new ATOM 0 HB3 CYS A 117 24.054 -2.691 -16.449 1.00 0.00 H new ATOM 0 HG CYS A 117 25.907 -4.541 -18.687 1.00 0.00 H new ATOM 1386 N GLN A 118 21.606 -4.591 -15.516 1.00 0.00 N ATOM 1387 CA GLN A 118 20.166 -4.824 -15.504 1.00 0.00 C ATOM 1388 C GLN A 118 19.563 -4.514 -16.877 1.00 0.00 C ATOM 1389 O GLN A 118 18.396 -4.810 -17.132 1.00 0.00 O ATOM 1390 CB GLN A 118 19.502 -3.957 -14.419 1.00 0.00 C ATOM 1391 CG GLN A 118 19.601 -4.666 -13.062 1.00 0.00 C ATOM 1392 CD GLN A 118 21.051 -5.047 -12.789 1.00 0.00 C ATOM 1393 OE1 GLN A 118 21.955 -4.250 -13.033 1.00 0.00 O ATOM 1394 NE2 GLN A 118 21.330 -6.228 -12.311 1.00 0.00 N ATOM 0 H GLN A 118 21.940 -3.951 -14.795 1.00 0.00 H new ATOM 0 HA GLN A 118 19.982 -5.874 -15.277 1.00 0.00 H new ATOM 0 HB2 GLN A 118 19.989 -2.983 -14.368 1.00 0.00 H new ATOM 0 HB3 GLN A 118 18.457 -3.778 -14.672 1.00 0.00 H new ATOM 0 HG2 GLN A 118 19.231 -4.013 -12.271 1.00 0.00 H new ATOM 0 HG3 GLN A 118 18.974 -5.557 -13.059 1.00 0.00 H new ATOM 0 HE21 GLN A 118 20.578 -6.887 -12.109 1.00 0.00 H new ATOM 0 HE22 GLN A 118 22.300 -6.492 -12.139 1.00 0.00 H new ATOM 1403 N ILE A 119 20.363 -3.906 -17.752 1.00 0.00 N ATOM 1404 CA ILE A 119 19.898 -3.548 -19.093 1.00 0.00 C ATOM 1405 C ILE A 119 20.102 -4.694 -20.093 1.00 0.00 C ATOM 1406 O ILE A 119 19.194 -5.031 -20.852 1.00 0.00 O ATOM 1407 CB ILE A 119 20.661 -2.307 -19.574 1.00 0.00 C ATOM 1408 CG1 ILE A 119 20.241 -1.091 -18.738 1.00 0.00 C ATOM 1409 CG2 ILE A 119 20.342 -2.039 -21.050 1.00 0.00 C ATOM 1410 CD1 ILE A 119 20.624 -1.292 -17.265 1.00 0.00 C ATOM 0 H ILE A 119 21.332 -3.652 -17.559 1.00 0.00 H new ATOM 0 HA ILE A 119 18.829 -3.342 -19.038 1.00 0.00 H new ATOM 0 HB ILE A 119 21.731 -2.480 -19.460 1.00 0.00 H new ATOM 0 HG12 ILE A 119 20.722 -0.193 -19.125 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.165 -0.939 -18.822 1.00 0.00 H new ATOM 0 HG21 ILE A 119 20.887 -1.157 -21.386 1.00 0.00 H new ATOM 0 HG22 ILE A 119 20.641 -2.899 -21.649 1.00 0.00 H new ATOM 0 HG23 ILE A 119 19.271 -1.870 -21.166 1.00 0.00 H new ATOM 0 HD11 ILE A 119 20.318 -0.420 -16.687 1.00 0.00 H new ATOM 0 HD12 ILE A 119 20.123 -2.178 -16.876 1.00 0.00 H new ATOM 0 HD13 ILE A 119 21.703 -1.421 -17.184 1.00 0.00 H new ATOM 1422 N CYS A 120 21.300 -5.273 -20.102 1.00 0.00 N ATOM 1423 CA CYS A 120 21.606 -6.363 -21.031 1.00 0.00 C ATOM 1424 C CYS A 120 20.785 -7.611 -20.703 1.00 0.00 C ATOM 1425 O CYS A 120 20.448 -8.391 -21.594 1.00 0.00 O ATOM 1426 CB CYS A 120 23.115 -6.684 -20.992 1.00 0.00 C ATOM 1427 SG CYS A 120 23.769 -6.320 -19.349 1.00 0.00 S ATOM 0 H CYS A 120 22.069 -5.011 -19.485 1.00 0.00 H new ATOM 0 HA CYS A 120 21.339 -6.041 -22.037 1.00 0.00 H new ATOM 0 HB2 CYS A 120 23.280 -7.733 -21.236 1.00 0.00 H new ATOM 0 HB3 CYS A 120 23.642 -6.095 -21.743 1.00 0.00 H new ATOM 0 HG CYS A 120 22.813 -6.409 -18.472 1.00 0.00 H new ATOM 1432 N VAL A 121 20.464 -7.793 -19.429 1.00 0.00 N ATOM 1433 CA VAL A 121 19.679 -8.951 -19.010 1.00 0.00 C ATOM 1434 C VAL A 121 18.215 -8.779 -19.408 1.00 0.00 C ATOM 1435 O VAL A 121 17.540 -9.748 -19.762 1.00 0.00 O ATOM 1436 CB VAL A 121 19.785 -9.147 -17.495 1.00 0.00 C ATOM 1437 CG1 VAL A 121 21.259 -9.166 -17.079 1.00 0.00 C ATOM 1438 CG2 VAL A 121 19.074 -8.003 -16.777 1.00 0.00 C ATOM 0 H VAL A 121 20.731 -7.162 -18.673 1.00 0.00 H new ATOM 0 HA VAL A 121 20.078 -9.833 -19.511 1.00 0.00 H new ATOM 0 HB VAL A 121 19.317 -10.094 -17.224 1.00 0.00 H new ATOM 0 HG11 VAL A 121 21.331 -9.306 -16.000 1.00 0.00 H new ATOM 0 HG12 VAL A 121 21.770 -9.985 -17.586 1.00 0.00 H new ATOM 0 HG13 VAL A 121 21.727 -8.221 -17.354 1.00 0.00 H new ATOM 0 HG21 VAL A 121 19.151 -8.146 -15.699 1.00 0.00 H new ATOM 0 HG22 VAL A 121 19.539 -7.056 -17.052 1.00 0.00 H new ATOM 0 HG23 VAL A 121 18.023 -7.989 -17.066 1.00 0.00 H new ATOM 1448 N HIS A 122 17.729 -7.544 -19.343 1.00 0.00 N ATOM 1449 CA HIS A 122 16.342 -7.253 -19.693 1.00 0.00 C ATOM 1450 C HIS A 122 16.083 -7.557 -21.165 1.00 0.00 C ATOM 1451 O HIS A 122 14.972 -7.376 -21.660 1.00 0.00 O ATOM 1452 CB HIS A 122 16.028 -5.781 -19.412 1.00 0.00 C ATOM 1453 CG HIS A 122 14.539 -5.567 -19.460 1.00 0.00 C ATOM 1454 ND1 HIS A 122 13.874 -5.259 -20.637 1.00 0.00 N ATOM 1455 CD2 HIS A 122 13.573 -5.618 -18.486 1.00 0.00 C ATOM 1456 CE1 HIS A 122 12.567 -5.138 -20.344 1.00 0.00 C ATOM 1457 NE2 HIS A 122 12.329 -5.347 -19.047 1.00 0.00 N ATOM 0 H HIS A 122 18.272 -6.731 -19.052 1.00 0.00 H new ATOM 0 HA HIS A 122 15.696 -7.885 -19.084 1.00 0.00 H new ATOM 0 HB2 HIS A 122 16.416 -5.496 -18.434 1.00 0.00 H new ATOM 0 HB3 HIS A 122 16.521 -5.146 -20.148 1.00 0.00 H new ATOM 0 HD1 HIS A 122 14.299 -5.145 -21.557 1.00 0.00 H new ATOM 0 HD2 HIS A 122 13.751 -5.835 -17.443 1.00 0.00 H new ATOM 0 HE1 HIS A 122 11.803 -4.901 -21.070 1.00 0.00 H new