USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=30 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 -154:sc= 1.11 USER MOD Set 1.2: A 96 CYS SG : rot 140:sc= 0.409 USER MOD Set 1.3: A 117 CYS SG : rot -46:sc= -0.506 USER MOD Set 1.4: A 120 CYS SG : rot 23:sc= -5.66! USER MOD Set 2.1: A 42 CYS SG : rot 144:sc= 1.01 USER MOD Set 2.2: A 45 CYS SG : rot -55:sc= -0.308 USER MOD Set 2.3: A 80 CYS SG : rot -145:sc= 0.967 USER MOD Set 2.4: A 83 CYS SG : rot 89:sc= -0.751 USER MOD Single : A 41 MET CE :methyl -166:sc= 0 (180deg=-0.131) USER MOD Single : A 43 MET CE :methyl 172:sc= -0.113 (180deg=-0.352) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= -3.31! (180deg=-4.33!) USER MOD Single : A 53 SER OG : rot -110:sc= -2.1 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.0173 (180deg=-0.349) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.4!) USER MOD Single : A 60 SER OG : rot -23:sc= 0.13 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc=-0.00851 (180deg=-0.197) USER MOD Single : A 62 THR OG1 : rot -102:sc= 0.764 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00684 USER MOD Single : A 74 SER OG : rot -40:sc= 1.21 USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.112) USER MOD Single : A 82 THR OG1 : rot 180:sc=0.000998 USER MOD Single : A 90 SER OG : rot 36:sc= -1.44! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.31) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= -0.0249 (180deg=-0.0249) USER MOD Single : A 103 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.013) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -1.79! C(o=-1.8!,f=-11!) USER MOD Single : A 111 HIS : no HD1:sc= -1.08! C(o=-1.1!,f=-1.1!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 122 HIS : no HE2:sc= -0.616 K(o=-0.62,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 4.820 19.492 -12.209 1.00 0.00 N ATOM 88 CA ASP A 37 4.674 18.085 -12.572 1.00 0.00 C ATOM 89 C ASP A 37 5.584 17.746 -13.743 1.00 0.00 C ATOM 90 O ASP A 37 5.445 16.696 -14.372 1.00 0.00 O ATOM 91 CB ASP A 37 3.219 17.785 -12.942 1.00 0.00 C ATOM 92 CG ASP A 37 3.019 16.280 -13.093 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.895 15.540 -12.680 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 1.986 15.890 -13.617 1.00 0.00 O ATOM 0 HA ASP A 37 4.957 17.473 -11.715 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.552 18.173 -12.172 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.960 18.290 -13.873 1.00 0.00 H new ATOM 99 N ALA A 38 6.521 18.644 -14.026 1.00 0.00 N ATOM 100 CA ALA A 38 7.463 18.436 -15.121 1.00 0.00 C ATOM 101 C ALA A 38 8.340 17.224 -14.834 1.00 0.00 C ATOM 102 O ALA A 38 8.699 16.971 -13.682 1.00 0.00 O ATOM 103 CB ALA A 38 8.341 19.672 -15.306 1.00 0.00 C ATOM 0 H ALA A 38 6.649 19.518 -13.516 1.00 0.00 H new ATOM 0 HA ALA A 38 6.898 18.261 -16.036 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.039 19.503 -16.126 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.713 20.533 -15.535 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.898 19.863 -14.389 1.00 0.00 H new ATOM 109 N LEU A 39 8.697 16.477 -15.882 1.00 0.00 N ATOM 110 CA LEU A 39 9.547 15.293 -15.731 1.00 0.00 C ATOM 111 C LEU A 39 10.894 15.551 -16.392 1.00 0.00 C ATOM 112 O LEU A 39 10.961 15.913 -17.566 1.00 0.00 O ATOM 113 CB LEU A 39 8.885 14.066 -16.388 1.00 0.00 C ATOM 114 CG LEU A 39 7.905 13.384 -15.407 1.00 0.00 C ATOM 115 CD1 LEU A 39 8.667 12.733 -14.237 1.00 0.00 C ATOM 116 CD2 LEU A 39 6.897 14.418 -14.871 1.00 0.00 C ATOM 0 H LEU A 39 8.412 16.670 -16.842 1.00 0.00 H new ATOM 0 HA LEU A 39 9.685 15.093 -14.668 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.352 14.372 -17.288 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.651 13.355 -16.698 1.00 0.00 H new ATOM 0 HG LEU A 39 7.367 12.602 -15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.957 12.259 -13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.356 11.982 -14.624 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.228 13.497 -13.699 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.209 13.931 -14.180 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.432 15.212 -14.351 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.335 14.844 -15.703 1.00 0.00 H new ATOM 128 N ILE A 40 11.960 15.370 -15.624 1.00 0.00 N ATOM 129 CA ILE A 40 13.310 15.596 -16.138 1.00 0.00 C ATOM 130 C ILE A 40 13.906 14.298 -16.665 1.00 0.00 C ATOM 131 O ILE A 40 13.961 13.290 -15.961 1.00 0.00 O ATOM 132 CB ILE A 40 14.200 16.153 -15.028 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.403 17.165 -14.211 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.432 16.841 -15.629 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.779 18.228 -15.124 1.00 0.00 C ATOM 0 H ILE A 40 11.921 15.070 -14.650 1.00 0.00 H new ATOM 0 HA ILE A 40 13.253 16.314 -16.956 1.00 0.00 H new ATOM 0 HB ILE A 40 14.531 15.334 -14.389 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.619 16.653 -13.653 1.00 0.00 H new ATOM 0 HG13 ILE A 40 14.055 17.644 -13.480 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.057 17.233 -14.827 1.00 0.00 H new ATOM 0 HG22 ILE A 40 16.002 16.120 -16.214 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.113 17.660 -16.274 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.215 18.940 -14.521 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.568 18.753 -15.663 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.110 17.747 -15.838 1.00 0.00 H new ATOM 147 N MET A 41 14.356 14.338 -17.907 1.00 0.00 N ATOM 148 CA MET A 41 14.956 13.166 -18.539 1.00 0.00 C ATOM 149 C MET A 41 16.418 13.029 -18.127 1.00 0.00 C ATOM 150 O MET A 41 17.180 13.995 -18.188 1.00 0.00 O ATOM 151 CB MET A 41 14.859 13.289 -20.062 1.00 0.00 C ATOM 152 CG MET A 41 15.413 12.021 -20.714 1.00 0.00 C ATOM 153 SD MET A 41 15.198 12.122 -22.508 1.00 0.00 S ATOM 154 CE MET A 41 15.023 10.347 -22.809 1.00 0.00 C ATOM 0 H MET A 41 14.319 15.166 -18.501 1.00 0.00 H new ATOM 0 HA MET A 41 14.414 12.279 -18.212 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.821 13.440 -20.360 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.418 14.160 -20.403 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.469 11.905 -20.469 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.897 11.144 -20.324 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.126 10.147 -23.875 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.796 9.807 -22.262 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.041 10.016 -22.471 1.00 0.00 H new ATOM 164 N CYS A 42 16.809 11.826 -17.703 1.00 0.00 N ATOM 165 CA CYS A 42 18.191 11.588 -17.281 1.00 0.00 C ATOM 166 C CYS A 42 19.082 11.271 -18.484 1.00 0.00 C ATOM 167 O CYS A 42 18.785 10.398 -19.287 1.00 0.00 O ATOM 168 CB CYS A 42 18.247 10.428 -16.282 1.00 0.00 C ATOM 169 SG CYS A 42 19.869 10.395 -15.470 1.00 0.00 S ATOM 0 H CYS A 42 16.198 11.011 -17.643 1.00 0.00 H new ATOM 0 HA CYS A 42 18.559 12.496 -16.803 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.459 10.539 -15.537 1.00 0.00 H new ATOM 0 HB3 CYS A 42 18.068 9.484 -16.796 1.00 0.00 H new ATOM 0 HG CYS A 42 19.725 10.041 -14.227 1.00 0.00 H new ATOM 174 N MET A 43 20.169 12.001 -18.604 1.00 0.00 N ATOM 175 CA MET A 43 21.081 11.792 -19.726 1.00 0.00 C ATOM 176 C MET A 43 21.803 10.448 -19.620 1.00 0.00 C ATOM 177 O MET A 43 22.605 10.101 -20.488 1.00 0.00 O ATOM 178 CB MET A 43 22.104 12.938 -19.787 1.00 0.00 C ATOM 179 CG MET A 43 23.240 12.716 -18.766 1.00 0.00 C ATOM 180 SD MET A 43 24.527 11.693 -19.522 1.00 0.00 S ATOM 181 CE MET A 43 25.556 11.480 -18.048 1.00 0.00 C ATOM 0 H MET A 43 20.447 12.736 -17.954 1.00 0.00 H new ATOM 0 HA MET A 43 20.491 11.781 -20.643 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.521 13.006 -20.792 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.607 13.886 -19.583 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.657 13.674 -18.453 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.851 12.230 -17.871 1.00 0.00 H new ATOM 0 HE1 MET A 43 26.343 10.755 -18.255 1.00 0.00 H new ATOM 0 HE2 MET A 43 26.005 12.435 -17.777 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.940 11.121 -17.223 1.00 0.00 H new ATOM 191 N ARG A 44 21.523 9.695 -18.556 1.00 0.00 N ATOM 192 CA ARG A 44 22.173 8.394 -18.350 1.00 0.00 C ATOM 193 C ARG A 44 21.154 7.256 -18.329 1.00 0.00 C ATOM 194 O ARG A 44 21.029 6.509 -19.299 1.00 0.00 O ATOM 195 CB ARG A 44 22.943 8.427 -17.032 1.00 0.00 C ATOM 196 CG ARG A 44 23.757 7.144 -16.884 1.00 0.00 C ATOM 197 CD ARG A 44 24.691 7.275 -15.683 1.00 0.00 C ATOM 198 NE ARG A 44 25.430 6.036 -15.479 1.00 0.00 N ATOM 199 CZ ARG A 44 26.292 5.912 -14.478 1.00 0.00 C ATOM 200 NH1 ARG A 44 26.478 6.906 -13.650 1.00 0.00 N ATOM 201 NH2 ARG A 44 26.951 4.799 -14.320 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.858 9.957 -17.828 1.00 0.00 H new ATOM 0 HA ARG A 44 22.855 8.211 -19.180 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.603 9.294 -17.006 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.250 8.529 -16.197 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.092 6.291 -16.751 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.334 6.959 -17.790 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.386 8.099 -15.843 1.00 0.00 H new ATOM 0 HD3 ARG A 44 24.114 7.514 -14.789 1.00 0.00 H new ATOM 0 HE ARG A 44 25.283 5.252 -16.115 1.00 0.00 H new ATOM 0 HH11 ARG A 44 25.961 7.776 -13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 44 27.140 6.811 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 44 26.804 4.023 -14.966 1.00 0.00 H new ATOM 0 HH22 ARG A 44 27.614 4.704 -13.551 1.00 0.00 H new ATOM 215 N CYS A 45 20.438 7.116 -17.216 1.00 0.00 N ATOM 216 CA CYS A 45 19.441 6.054 -17.082 1.00 0.00 C ATOM 217 C CYS A 45 18.117 6.454 -17.735 1.00 0.00 C ATOM 218 O CYS A 45 17.153 5.687 -17.722 1.00 0.00 O ATOM 219 CB CYS A 45 19.211 5.737 -15.603 1.00 0.00 C ATOM 220 SG CYS A 45 18.295 7.088 -14.819 1.00 0.00 S ATOM 0 H CYS A 45 20.527 7.719 -16.398 1.00 0.00 H new ATOM 0 HA CYS A 45 19.821 5.168 -17.591 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.656 4.804 -15.504 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.167 5.594 -15.100 1.00 0.00 H new ATOM 0 HG CYS A 45 18.930 8.207 -15.003 1.00 0.00 H new ATOM 225 N ARG A 46 18.081 7.656 -18.302 1.00 0.00 N ATOM 226 CA ARG A 46 16.876 8.160 -18.961 1.00 0.00 C ATOM 227 C ARG A 46 15.619 7.767 -18.204 1.00 0.00 C ATOM 228 O ARG A 46 14.609 7.393 -18.802 1.00 0.00 O ATOM 229 CB ARG A 46 16.811 7.638 -20.392 1.00 0.00 C ATOM 230 CG ARG A 46 17.960 8.250 -21.201 1.00 0.00 C ATOM 231 CD ARG A 46 17.918 7.705 -22.627 1.00 0.00 C ATOM 232 NE ARG A 46 19.032 8.222 -23.410 1.00 0.00 N ATOM 233 CZ ARG A 46 19.242 7.802 -24.653 1.00 0.00 C ATOM 234 NH1 ARG A 46 18.443 6.917 -25.186 1.00 0.00 N ATOM 235 NH2 ARG A 46 20.246 8.272 -25.342 1.00 0.00 N1+ ATOM 0 H ARG A 46 18.871 8.301 -18.320 1.00 0.00 H new ATOM 0 HA ARG A 46 16.929 9.249 -18.973 1.00 0.00 H new ATOM 0 HB2 ARG A 46 16.883 6.550 -20.399 1.00 0.00 H new ATOM 0 HB3 ARG A 46 15.853 7.897 -20.844 1.00 0.00 H new ATOM 0 HG2 ARG A 46 17.874 9.337 -21.212 1.00 0.00 H new ATOM 0 HG3 ARG A 46 18.916 8.010 -20.736 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.956 6.616 -22.606 1.00 0.00 H new ATOM 0 HD3 ARG A 46 16.976 7.982 -23.100 1.00 0.00 H new ATOM 0 HE ARG A 46 19.658 8.915 -22.999 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.658 6.549 -24.648 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.604 6.594 -26.140 1.00 0.00 H new ATOM 0 HH21 ARG A 46 20.871 8.963 -24.926 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.406 7.948 -26.296 1.00 0.00 H new ATOM 249 N LYS A 47 15.684 7.866 -16.880 1.00 0.00 N ATOM 250 CA LYS A 47 14.538 7.528 -16.035 1.00 0.00 C ATOM 251 C LYS A 47 13.808 8.804 -15.635 1.00 0.00 C ATOM 252 O LYS A 47 14.073 9.382 -14.580 1.00 0.00 O ATOM 253 CB LYS A 47 15.015 6.768 -14.781 1.00 0.00 C ATOM 254 CG LYS A 47 13.876 5.923 -14.201 1.00 0.00 C ATOM 255 CD LYS A 47 14.410 5.075 -13.042 1.00 0.00 C ATOM 256 CE LYS A 47 13.315 4.122 -12.555 1.00 0.00 C ATOM 257 NZ LYS A 47 13.847 3.260 -11.464 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.511 8.175 -16.369 1.00 0.00 H new ATOM 0 HA LYS A 47 13.854 6.886 -16.591 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.858 6.126 -15.036 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.369 7.476 -14.032 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.070 6.569 -13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.456 5.279 -14.974 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.283 4.507 -13.365 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.734 5.720 -12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.458 4.691 -12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.964 3.504 -13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.100 2.614 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.652 2.706 -11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.161 3.857 -10.672 1.00 0.00 H new ATOM 271 N VAL A 48 12.885 9.243 -16.489 1.00 0.00 N ATOM 272 CA VAL A 48 12.119 10.454 -16.226 1.00 0.00 C ATOM 273 C VAL A 48 11.608 10.455 -14.788 1.00 0.00 C ATOM 274 O VAL A 48 11.017 9.478 -14.327 1.00 0.00 O ATOM 275 CB VAL A 48 10.936 10.525 -17.204 1.00 0.00 C ATOM 276 CG1 VAL A 48 11.398 11.092 -18.551 1.00 0.00 C ATOM 277 CG2 VAL A 48 10.385 9.118 -17.421 1.00 0.00 C ATOM 0 H VAL A 48 12.652 8.778 -17.366 1.00 0.00 H new ATOM 0 HA VAL A 48 12.761 11.324 -16.365 1.00 0.00 H new ATOM 0 HB VAL A 48 10.166 11.174 -16.787 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.551 11.138 -19.236 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.801 12.094 -18.405 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.170 10.448 -18.971 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.545 9.159 -18.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.166 8.481 -17.836 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.050 8.708 -16.468 1.00 0.00 H new ATOM 287 N LYS A 49 11.846 11.565 -14.088 1.00 0.00 N ATOM 288 CA LYS A 49 11.421 11.704 -12.694 1.00 0.00 C ATOM 289 C LYS A 49 11.002 13.135 -12.404 1.00 0.00 C ATOM 290 O LYS A 49 11.540 14.087 -12.970 1.00 0.00 O ATOM 291 CB LYS A 49 12.555 11.307 -11.742 1.00 0.00 C ATOM 292 CG LYS A 49 12.667 9.778 -11.636 1.00 0.00 C ATOM 293 CD LYS A 49 11.567 9.197 -10.698 1.00 0.00 C ATOM 294 CE LYS A 49 11.000 7.901 -11.280 1.00 0.00 C ATOM 295 NZ LYS A 49 12.114 6.967 -11.594 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.330 12.381 -14.463 1.00 0.00 H new ATOM 0 HA LYS A 49 10.571 11.041 -12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.498 11.722 -12.099 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.373 11.732 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.575 9.334 -12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.652 9.508 -11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.986 9.007 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.767 9.926 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.315 7.440 -10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.426 8.116 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.798 6.276 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.922 7.504 -11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.402 6.467 -10.729 1.00 0.00 H new ATOM 309 N GLY A 50 10.040 13.272 -11.505 1.00 0.00 N ATOM 310 CA GLY A 50 9.542 14.583 -11.126 1.00 0.00 C ATOM 311 C GLY A 50 10.434 15.204 -10.061 1.00 0.00 C ATOM 312 O GLY A 50 11.383 14.578 -9.588 1.00 0.00 O ATOM 0 H GLY A 50 9.590 12.492 -11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.505 15.232 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.523 14.497 -10.750 1.00 0.00 H new ATOM 316 N ILE A 51 10.133 16.440 -9.699 1.00 0.00 N ATOM 317 CA ILE A 51 10.921 17.151 -8.698 1.00 0.00 C ATOM 318 C ILE A 51 11.076 16.351 -7.394 1.00 0.00 C ATOM 319 O ILE A 51 11.940 16.667 -6.573 1.00 0.00 O ATOM 320 CB ILE A 51 10.266 18.500 -8.399 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.198 19.337 -7.521 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.937 18.285 -7.673 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.683 20.773 -7.460 1.00 0.00 C ATOM 0 H ILE A 51 9.352 16.973 -10.080 1.00 0.00 H new ATOM 0 HA ILE A 51 11.920 17.295 -9.110 1.00 0.00 H new ATOM 0 HB ILE A 51 10.080 19.023 -9.337 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.248 18.914 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.210 19.319 -7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.477 19.250 -7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.271 17.694 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.115 17.757 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.346 21.371 -6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.656 21.193 -8.466 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.679 20.782 -7.036 1.00 0.00 H new ATOM 335 N ASP A 52 10.254 15.319 -7.199 1.00 0.00 N ATOM 336 CA ASP A 52 10.334 14.498 -5.990 1.00 0.00 C ATOM 337 C ASP A 52 11.604 13.639 -5.986 1.00 0.00 C ATOM 338 O ASP A 52 12.305 13.547 -4.980 1.00 0.00 O ATOM 339 CB ASP A 52 9.099 13.592 -5.917 1.00 0.00 C ATOM 340 CG ASP A 52 7.857 14.429 -5.627 1.00 0.00 C ATOM 341 OD1 ASP A 52 8.018 15.592 -5.296 1.00 0.00 O1- ATOM 342 OD2 ASP A 52 6.766 13.898 -5.749 1.00 0.00 O ATOM 0 H ASP A 52 9.530 15.033 -7.858 1.00 0.00 H new ATOM 0 HA ASP A 52 10.369 15.158 -5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.975 13.055 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.233 12.842 -5.137 1.00 0.00 H new ATOM 347 N SER A 53 11.874 13.013 -7.131 1.00 0.00 N ATOM 348 CA SER A 53 13.051 12.148 -7.275 1.00 0.00 C ATOM 349 C SER A 53 14.230 12.940 -7.840 1.00 0.00 C ATOM 350 O SER A 53 15.298 12.385 -8.101 1.00 0.00 O ATOM 351 CB SER A 53 12.699 10.935 -8.156 1.00 0.00 C ATOM 352 OG SER A 53 11.433 11.167 -8.746 1.00 0.00 O ATOM 0 H SER A 53 11.299 13.086 -7.970 1.00 0.00 H new ATOM 0 HA SER A 53 13.352 11.777 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.457 10.793 -8.927 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.678 10.024 -7.557 1.00 0.00 H new ATOM 0 HG SER A 53 10.772 10.560 -8.352 1.00 0.00 H new ATOM 358 N TYR A 54 14.027 14.246 -8.012 1.00 0.00 N ATOM 359 CA TYR A 54 15.069 15.138 -8.533 1.00 0.00 C ATOM 360 C TYR A 54 15.367 16.253 -7.539 1.00 0.00 C ATOM 361 O TYR A 54 14.456 16.883 -7.001 1.00 0.00 O ATOM 362 CB TYR A 54 14.613 15.738 -9.889 1.00 0.00 C ATOM 363 CG TYR A 54 15.287 15.017 -11.038 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.174 13.628 -11.165 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.044 15.742 -11.965 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.819 12.968 -12.219 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.681 15.084 -13.012 1.00 0.00 C ATOM 368 CZ TYR A 54 16.571 13.699 -13.143 1.00 0.00 C ATOM 369 OH TYR A 54 17.208 13.050 -14.180 1.00 0.00 O ATOM 0 H TYR A 54 13.146 14.714 -7.798 1.00 0.00 H new ATOM 0 HA TYR A 54 15.982 14.561 -8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.530 15.656 -9.985 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.857 16.800 -9.925 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.590 13.066 -10.451 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.134 16.814 -11.867 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.735 11.896 -12.317 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.263 15.647 -13.726 1.00 0.00 H new ATOM 0 HH TYR A 54 17.686 13.704 -14.731 1.00 0.00 H new ATOM 379 N SER A 55 16.654 16.488 -7.302 1.00 0.00 N ATOM 380 CA SER A 55 17.076 17.523 -6.376 1.00 0.00 C ATOM 381 C SER A 55 16.549 18.876 -6.831 1.00 0.00 C ATOM 382 O SER A 55 16.410 19.130 -8.028 1.00 0.00 O ATOM 383 CB SER A 55 18.604 17.561 -6.311 1.00 0.00 C ATOM 384 OG SER A 55 19.012 18.574 -5.402 1.00 0.00 O ATOM 0 H SER A 55 17.419 15.974 -7.740 1.00 0.00 H new ATOM 0 HA SER A 55 16.676 17.301 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.990 16.593 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.016 17.757 -7.301 1.00 0.00 H new ATOM 0 HG SER A 55 19.991 18.599 -5.358 1.00 0.00 H new ATOM 390 N LYS A 56 16.256 19.739 -5.871 1.00 0.00 N ATOM 391 CA LYS A 56 15.739 21.062 -6.184 1.00 0.00 C ATOM 392 C LYS A 56 16.749 21.851 -7.010 1.00 0.00 C ATOM 393 O LYS A 56 16.381 22.555 -7.949 1.00 0.00 O ATOM 394 CB LYS A 56 15.430 21.813 -4.891 1.00 0.00 C ATOM 395 CG LYS A 56 14.236 21.159 -4.195 1.00 0.00 C ATOM 396 CD LYS A 56 13.940 21.898 -2.890 1.00 0.00 C ATOM 397 CE LYS A 56 12.679 21.320 -2.246 1.00 0.00 C ATOM 398 NZ LYS A 56 12.909 19.890 -1.892 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.366 19.549 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 56 14.825 20.950 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.299 21.800 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.210 22.858 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.363 21.185 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.450 20.110 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.785 21.804 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.805 22.962 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.421 21.889 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.836 21.404 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.166 19.571 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.883 19.310 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.838 19.790 -1.436 1.00 0.00 H new ATOM 412 N THR A 57 18.023 21.731 -6.653 1.00 0.00 N ATOM 413 CA THR A 57 19.072 22.442 -7.372 1.00 0.00 C ATOM 414 C THR A 57 19.127 21.988 -8.828 1.00 0.00 C ATOM 415 O THR A 57 19.184 22.811 -9.740 1.00 0.00 O ATOM 416 CB THR A 57 20.425 22.185 -6.704 1.00 0.00 C ATOM 417 OG1 THR A 57 20.306 22.399 -5.304 1.00 0.00 O ATOM 418 CG2 THR A 57 21.472 23.142 -7.276 1.00 0.00 C ATOM 0 H THR A 57 18.351 21.154 -5.878 1.00 0.00 H new ATOM 0 HA THR A 57 18.848 23.508 -7.345 1.00 0.00 H new ATOM 0 HB THR A 57 20.733 21.157 -6.894 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.170 22.233 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.434 22.956 -6.798 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.563 22.982 -8.350 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.166 24.171 -7.088 1.00 0.00 H new ATOM 426 N GLN A 58 19.111 20.675 -9.040 1.00 0.00 N ATOM 427 CA GLN A 58 19.162 20.127 -10.393 1.00 0.00 C ATOM 428 C GLN A 58 17.904 20.494 -11.173 1.00 0.00 C ATOM 429 O GLN A 58 17.970 20.834 -12.354 1.00 0.00 O ATOM 430 CB GLN A 58 19.305 18.606 -10.333 1.00 0.00 C ATOM 431 CG GLN A 58 20.671 18.248 -9.746 1.00 0.00 C ATOM 432 CD GLN A 58 20.799 16.736 -9.607 1.00 0.00 C ATOM 433 OE1 GLN A 58 19.910 15.994 -10.029 1.00 0.00 O ATOM 434 NE2 GLN A 58 21.857 16.229 -9.036 1.00 0.00 N ATOM 0 H GLN A 58 19.064 19.975 -8.299 1.00 0.00 H new ATOM 0 HA GLN A 58 20.025 20.554 -10.904 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.511 18.179 -9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.203 18.180 -11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.464 18.631 -10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.793 18.723 -8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.592 16.844 -8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 58 21.949 15.218 -8.939 1.00 0.00 H new ATOM 443 N TRP A 59 16.757 20.430 -10.504 1.00 0.00 N ATOM 444 CA TRP A 59 15.487 20.767 -11.135 1.00 0.00 C ATOM 445 C TRP A 59 15.480 22.231 -11.573 1.00 0.00 C ATOM 446 O TRP A 59 14.923 22.574 -12.612 1.00 0.00 O ATOM 447 CB TRP A 59 14.331 20.514 -10.155 1.00 0.00 C ATOM 448 CG TRP A 59 13.017 20.804 -10.822 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.460 20.052 -11.802 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.083 21.895 -10.567 1.00 0.00 C ATOM 451 NE1 TRP A 59 11.251 20.617 -12.172 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.978 21.757 -11.442 1.00 0.00 C ATOM 453 CE3 TRP A 59 12.094 22.986 -9.679 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.919 22.663 -11.430 1.00 0.00 C ATOM 455 CZ3 TRP A 59 11.027 23.901 -9.664 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.944 23.741 -10.542 1.00 0.00 C ATOM 0 H TRP A 59 16.682 20.148 -9.527 1.00 0.00 H new ATOM 0 HA TRP A 59 15.359 20.136 -12.015 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.354 19.479 -9.813 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.447 21.144 -9.273 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.890 19.156 -12.226 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.638 20.238 -12.894 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.927 23.121 -9.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.084 22.532 -12.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.041 24.731 -8.973 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.130 24.451 -10.531 1.00 0.00 H new ATOM 467 N SER A 60 16.094 23.093 -10.764 1.00 0.00 N ATOM 468 CA SER A 60 16.143 24.521 -11.078 1.00 0.00 C ATOM 469 C SER A 60 16.909 24.779 -12.375 1.00 0.00 C ATOM 470 O SER A 60 16.746 25.826 -13.001 1.00 0.00 O ATOM 471 CB SER A 60 16.809 25.287 -9.932 1.00 0.00 C ATOM 472 OG SER A 60 16.761 26.681 -10.208 1.00 0.00 O ATOM 0 H SER A 60 16.560 22.832 -9.895 1.00 0.00 H new ATOM 0 HA SER A 60 15.118 24.869 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.300 25.073 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.843 24.963 -9.815 1.00 0.00 H new ATOM 0 HG SER A 60 16.663 26.820 -11.173 1.00 0.00 H new ATOM 478 N LYS A 61 17.749 23.828 -12.767 1.00 0.00 N ATOM 479 CA LYS A 61 18.536 23.972 -13.990 1.00 0.00 C ATOM 480 C LYS A 61 17.678 23.675 -15.212 1.00 0.00 C ATOM 481 O LYS A 61 18.082 23.923 -16.348 1.00 0.00 O ATOM 482 CB LYS A 61 19.713 23.003 -13.963 1.00 0.00 C ATOM 483 CG LYS A 61 20.610 23.333 -12.775 1.00 0.00 C ATOM 484 CD LYS A 61 21.750 22.320 -12.699 1.00 0.00 C ATOM 485 CE LYS A 61 22.514 22.525 -11.398 1.00 0.00 C ATOM 486 NZ LYS A 61 23.203 23.845 -11.422 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.903 22.955 -12.262 1.00 0.00 H new ATOM 0 HA LYS A 61 18.901 24.998 -14.047 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.353 21.977 -13.887 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.279 23.074 -14.892 1.00 0.00 H new ATOM 0 HG2 LYS A 61 21.012 24.341 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.030 23.314 -11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.355 21.305 -12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.419 22.442 -13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.829 22.477 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.243 21.726 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.892 23.891 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.697 23.962 -12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.502 24.605 -11.308 1.00 0.00 H new ATOM 500 N THR A 62 16.492 23.138 -14.964 1.00 0.00 N ATOM 501 CA THR A 62 15.572 22.798 -16.049 1.00 0.00 C ATOM 502 C THR A 62 14.910 24.050 -16.616 1.00 0.00 C ATOM 503 O THR A 62 14.328 24.016 -17.697 1.00 0.00 O ATOM 504 CB THR A 62 14.491 21.837 -15.543 1.00 0.00 C ATOM 505 OG1 THR A 62 13.677 22.500 -14.586 1.00 0.00 O ATOM 506 CG2 THR A 62 15.144 20.604 -14.904 1.00 0.00 C ATOM 0 H THR A 62 16.142 22.928 -14.029 1.00 0.00 H new ATOM 0 HA THR A 62 16.148 22.317 -16.840 1.00 0.00 H new ATOM 0 HB THR A 62 13.874 21.516 -16.383 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.941 22.223 -13.684 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.369 19.926 -14.547 1.00 0.00 H new ATOM 0 HG22 THR A 62 15.760 20.094 -15.644 1.00 0.00 H new ATOM 0 HG23 THR A 62 15.768 20.916 -14.066 1.00 0.00 H new ATOM 514 N PHE A 63 15.003 25.152 -15.879 1.00 0.00 N ATOM 515 CA PHE A 63 14.416 26.418 -16.308 1.00 0.00 C ATOM 516 C PHE A 63 15.259 27.578 -15.786 1.00 0.00 C ATOM 517 O PHE A 63 16.016 27.419 -14.829 1.00 0.00 O ATOM 518 CB PHE A 63 12.984 26.552 -15.783 1.00 0.00 C ATOM 519 CG PHE A 63 12.992 26.656 -14.277 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.173 27.902 -13.665 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.810 25.511 -13.498 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.174 28.002 -12.269 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.811 25.610 -12.104 1.00 0.00 C ATOM 524 CZ PHE A 63 12.993 26.854 -11.487 1.00 0.00 C ATOM 0 H PHE A 63 15.481 25.194 -14.979 1.00 0.00 H new ATOM 0 HA PHE A 63 14.395 26.440 -17.398 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.511 27.435 -16.214 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.393 25.690 -16.093 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.312 28.786 -14.270 1.00 0.00 H new ATOM 0 HD2 PHE A 63 12.669 24.551 -13.972 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.314 28.963 -11.796 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.671 24.725 -11.501 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.994 26.928 -10.410 1.00 0.00 H new ATOM 534 N THR A 64 15.126 28.745 -16.418 1.00 0.00 N ATOM 535 CA THR A 64 15.884 29.933 -16.012 1.00 0.00 C ATOM 536 C THR A 64 14.938 31.109 -15.822 1.00 0.00 C ATOM 537 O THR A 64 13.750 31.015 -16.125 1.00 0.00 O ATOM 538 CB THR A 64 16.931 30.290 -17.080 1.00 0.00 C ATOM 539 OG1 THR A 64 16.341 31.138 -18.052 1.00 0.00 O ATOM 540 CG2 THR A 64 17.441 29.021 -17.767 1.00 0.00 C ATOM 0 H THR A 64 14.503 28.894 -17.211 1.00 0.00 H new ATOM 0 HA THR A 64 16.392 29.716 -15.072 1.00 0.00 H new ATOM 0 HB THR A 64 17.767 30.797 -16.599 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.007 31.368 -18.733 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.182 29.288 -18.521 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.898 28.365 -17.026 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.607 28.505 -18.244 1.00 0.00 H new ATOM 548 N PHE A 65 15.467 32.217 -15.307 1.00 0.00 N ATOM 549 CA PHE A 65 14.657 33.416 -15.076 1.00 0.00 C ATOM 550 C PHE A 65 15.016 34.493 -16.099 1.00 0.00 C ATOM 551 O PHE A 65 16.147 34.981 -16.132 1.00 0.00 O ATOM 552 CB PHE A 65 14.899 33.930 -13.633 1.00 0.00 C ATOM 553 CG PHE A 65 13.579 34.216 -12.943 1.00 0.00 C ATOM 554 CD1 PHE A 65 12.673 33.172 -12.723 1.00 0.00 C ATOM 555 CD2 PHE A 65 13.260 35.517 -12.534 1.00 0.00 C ATOM 556 CE1 PHE A 65 11.449 33.427 -12.095 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.036 35.772 -11.907 1.00 0.00 C ATOM 558 CZ PHE A 65 11.131 34.728 -11.688 1.00 0.00 C ATOM 0 H PHE A 65 16.447 32.312 -15.042 1.00 0.00 H new ATOM 0 HA PHE A 65 13.601 33.172 -15.192 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.460 33.187 -13.065 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.506 34.835 -13.660 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.919 32.169 -13.038 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.959 36.323 -12.703 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.750 32.621 -11.924 1.00 0.00 H new ATOM 0 HE2 PHE A 65 11.790 36.775 -11.592 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.186 34.926 -11.204 1.00 0.00 H new ATOM 568 N VAL A 66 14.043 34.859 -16.934 1.00 0.00 N ATOM 569 CA VAL A 66 14.254 35.881 -17.961 1.00 0.00 C ATOM 570 C VAL A 66 13.159 36.942 -17.877 1.00 0.00 C ATOM 571 O VAL A 66 11.974 36.620 -17.801 1.00 0.00 O ATOM 572 CB VAL A 66 14.245 35.230 -19.347 1.00 0.00 C ATOM 573 CG1 VAL A 66 14.265 36.310 -20.435 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.477 34.336 -19.493 1.00 0.00 C ATOM 0 H VAL A 66 13.103 34.464 -16.920 1.00 0.00 H new ATOM 0 HA VAL A 66 15.220 36.358 -17.795 1.00 0.00 H new ATOM 0 HB VAL A 66 13.340 34.632 -19.457 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.258 35.837 -21.417 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.386 36.946 -20.333 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.165 36.916 -20.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.474 33.871 -20.479 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.379 34.938 -19.378 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.458 33.562 -18.726 1.00 0.00 H new ATOM 584 N ARG A 67 13.564 38.206 -17.896 1.00 0.00 N ATOM 585 CA ARG A 67 12.610 39.303 -17.824 1.00 0.00 C ATOM 586 C ARG A 67 11.560 39.054 -16.745 1.00 0.00 C ATOM 587 O ARG A 67 10.404 39.450 -16.889 1.00 0.00 O ATOM 588 CB ARG A 67 11.924 39.478 -19.181 1.00 0.00 C ATOM 589 CG ARG A 67 12.930 40.035 -20.188 1.00 0.00 C ATOM 590 CD ARG A 67 12.272 40.144 -21.565 1.00 0.00 C ATOM 591 NE ARG A 67 13.210 40.708 -22.527 1.00 0.00 N ATOM 592 CZ ARG A 67 12.925 40.744 -23.823 1.00 0.00 C ATOM 593 NH1 ARG A 67 11.795 40.257 -24.257 1.00 0.00 N ATOM 594 NH2 ARG A 67 13.776 41.264 -24.666 1.00 0.00 N1+ ATOM 0 H ARG A 67 14.540 38.495 -17.960 1.00 0.00 H new ATOM 0 HA ARG A 67 13.154 40.211 -17.565 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.534 38.522 -19.530 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.074 40.154 -19.087 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.281 41.015 -19.863 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.804 39.385 -20.242 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.945 39.159 -21.899 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.383 40.771 -21.503 1.00 0.00 H new ATOM 0 HE ARG A 67 14.101 41.081 -22.199 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.130 39.848 -23.600 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.577 40.285 -25.253 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.661 41.643 -24.329 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.556 41.291 -25.662 1.00 0.00 H new ATOM 608 N GLY A 68 11.968 38.397 -15.660 1.00 0.00 N ATOM 609 CA GLY A 68 11.049 38.112 -14.565 1.00 0.00 C ATOM 610 C GLY A 68 10.011 37.076 -14.977 1.00 0.00 C ATOM 611 O GLY A 68 8.897 37.057 -14.453 1.00 0.00 O ATOM 0 H GLY A 68 12.919 38.056 -15.518 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.608 37.749 -13.702 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.549 39.030 -14.257 1.00 0.00 H new ATOM 615 N ARG A 69 10.381 36.215 -15.926 1.00 0.00 N ATOM 616 CA ARG A 69 9.477 35.173 -16.414 1.00 0.00 C ATOM 617 C ARG A 69 10.187 33.825 -16.454 1.00 0.00 C ATOM 618 O ARG A 69 11.310 33.717 -16.947 1.00 0.00 O ATOM 619 CB ARG A 69 8.981 35.536 -17.816 1.00 0.00 C ATOM 620 CG ARG A 69 7.960 34.497 -18.283 1.00 0.00 C ATOM 621 CD ARG A 69 7.416 34.895 -19.654 1.00 0.00 C ATOM 622 NE ARG A 69 6.345 33.984 -20.051 1.00 0.00 N ATOM 623 CZ ARG A 69 5.088 34.187 -19.668 1.00 0.00 C ATOM 624 NH1 ARG A 69 4.792 35.213 -18.917 1.00 0.00 N ATOM 625 NH2 ARG A 69 4.150 33.359 -20.040 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.299 36.219 -16.371 1.00 0.00 H new ATOM 0 HA ARG A 69 8.628 35.101 -15.734 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.528 36.527 -17.807 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.820 35.575 -18.511 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.426 33.513 -18.337 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.144 34.425 -17.564 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.041 35.918 -19.623 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.217 34.872 -20.393 1.00 0.00 H new ATOM 0 HE ARG A 69 6.566 33.176 -20.633 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.525 35.859 -18.624 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.828 35.369 -18.623 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.381 32.556 -20.625 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.186 33.515 -19.746 1.00 0.00 H new ATOM 639 N THR A 70 9.522 32.798 -15.933 1.00 0.00 N ATOM 640 CA THR A 70 10.096 31.458 -15.918 1.00 0.00 C ATOM 641 C THR A 70 10.219 30.917 -17.339 1.00 0.00 C ATOM 642 O THR A 70 9.254 30.934 -18.103 1.00 0.00 O ATOM 643 CB THR A 70 9.215 30.521 -15.090 1.00 0.00 C ATOM 644 OG1 THR A 70 8.982 31.100 -13.815 1.00 0.00 O ATOM 645 CG2 THR A 70 9.913 29.169 -14.921 1.00 0.00 C ATOM 0 H THR A 70 8.592 32.867 -15.519 1.00 0.00 H new ATOM 0 HA THR A 70 11.089 31.512 -15.471 1.00 0.00 H new ATOM 0 HB THR A 70 8.264 30.371 -15.602 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.416 30.502 -13.283 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.282 28.505 -14.331 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.089 28.726 -15.901 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.866 29.313 -14.411 1.00 0.00 H new ATOM 653 N VAL A 71 11.412 30.434 -17.688 1.00 0.00 N ATOM 654 CA VAL A 71 11.660 29.881 -19.022 1.00 0.00 C ATOM 655 C VAL A 71 12.294 28.496 -18.916 1.00 0.00 C ATOM 656 O VAL A 71 13.295 28.313 -18.228 1.00 0.00 O ATOM 657 CB VAL A 71 12.590 30.822 -19.807 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.799 32.032 -20.300 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.721 31.307 -18.894 1.00 0.00 C ATOM 0 H VAL A 71 12.221 30.414 -17.067 1.00 0.00 H new ATOM 0 HA VAL A 71 10.709 29.789 -19.547 1.00 0.00 H new ATOM 0 HB VAL A 71 13.007 30.282 -20.657 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.460 32.697 -20.856 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.990 31.698 -20.950 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.381 32.566 -19.446 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.379 31.973 -19.452 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.298 31.843 -18.044 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.292 30.450 -18.536 1.00 0.00 H new ATOM 669 N SER A 72 11.704 27.523 -19.600 1.00 0.00 N ATOM 670 CA SER A 72 12.227 26.162 -19.568 1.00 0.00 C ATOM 671 C SER A 72 13.511 26.072 -20.383 1.00 0.00 C ATOM 672 O SER A 72 13.704 26.829 -21.335 1.00 0.00 O ATOM 673 CB SER A 72 11.191 25.189 -20.130 1.00 0.00 C ATOM 674 OG SER A 72 10.725 25.672 -21.383 1.00 0.00 O ATOM 0 H SER A 72 10.873 27.648 -20.177 1.00 0.00 H new ATOM 0 HA SER A 72 12.444 25.896 -18.533 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.632 24.199 -20.250 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.358 25.085 -19.435 1.00 0.00 H new ATOM 0 HG SER A 72 10.062 25.049 -21.747 1.00 0.00 H new ATOM 680 N VAL A 73 14.395 25.141 -20.010 1.00 0.00 N ATOM 681 CA VAL A 73 15.662 24.966 -20.721 1.00 0.00 C ATOM 682 C VAL A 73 15.554 23.796 -21.696 1.00 0.00 C ATOM 683 O VAL A 73 15.338 22.655 -21.287 1.00 0.00 O ATOM 684 CB VAL A 73 16.799 24.707 -19.713 1.00 0.00 C ATOM 685 CG1 VAL A 73 18.132 24.544 -20.469 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.897 25.893 -18.706 1.00 0.00 C ATOM 0 H VAL A 73 14.257 24.503 -19.226 1.00 0.00 H new ATOM 0 HA VAL A 73 15.884 25.875 -21.280 1.00 0.00 H new ATOM 0 HB VAL A 73 16.588 23.792 -19.159 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.935 24.361 -19.755 1.00 0.00 H new ATOM 0 HG12 VAL A 73 18.059 23.702 -21.157 1.00 0.00 H new ATOM 0 HG13 VAL A 73 18.346 25.454 -21.030 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.703 25.703 -17.997 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.102 26.815 -19.249 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.955 25.991 -18.167 1.00 0.00 H new ATOM 696 N SER A 74 15.693 24.087 -22.986 1.00 0.00 N ATOM 697 CA SER A 74 15.596 23.049 -24.012 1.00 0.00 C ATOM 698 C SER A 74 16.823 22.143 -23.982 1.00 0.00 C ATOM 699 O SER A 74 17.116 21.447 -24.954 1.00 0.00 O ATOM 700 CB SER A 74 15.464 23.692 -25.393 1.00 0.00 C ATOM 701 OG SER A 74 15.372 22.674 -26.379 1.00 0.00 O ATOM 0 H SER A 74 15.872 25.025 -23.346 1.00 0.00 H new ATOM 0 HA SER A 74 14.712 22.445 -23.807 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.580 24.328 -25.427 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.324 24.331 -25.593 1.00 0.00 H new ATOM 0 HG SER A 74 15.989 21.946 -26.156 1.00 0.00 H new ATOM 707 N ASP A 75 17.538 22.159 -22.860 1.00 0.00 N ATOM 708 CA ASP A 75 18.737 21.338 -22.705 1.00 0.00 C ATOM 709 C ASP A 75 18.938 20.951 -21.241 1.00 0.00 C ATOM 710 O ASP A 75 19.927 21.338 -20.619 1.00 0.00 O ATOM 711 CB ASP A 75 19.959 22.115 -23.204 1.00 0.00 C ATOM 712 CG ASP A 75 21.123 21.163 -23.462 1.00 0.00 C ATOM 713 OD1 ASP A 75 20.923 20.196 -24.177 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 22.197 21.417 -22.942 1.00 0.00 O ATOM 0 H ASP A 75 17.309 22.730 -22.046 1.00 0.00 H new ATOM 0 HA ASP A 75 18.615 20.428 -23.292 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.709 22.651 -24.120 1.00 0.00 H new ATOM 0 HB3 ASP A 75 20.249 22.863 -22.466 1.00 0.00 H new ATOM 719 N PRO A 76 18.027 20.195 -20.685 1.00 0.00 N ATOM 720 CA PRO A 76 18.115 19.750 -19.268 1.00 0.00 C ATOM 721 C PRO A 76 19.076 18.574 -19.106 1.00 0.00 C ATOM 722 O PRO A 76 18.653 17.421 -19.031 1.00 0.00 O ATOM 723 CB PRO A 76 16.672 19.350 -18.938 1.00 0.00 C ATOM 724 CG PRO A 76 16.084 18.900 -20.246 1.00 0.00 C ATOM 725 CD PRO A 76 16.813 19.686 -21.348 1.00 0.00 C ATOM 0 HA PRO A 76 18.506 20.521 -18.603 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.644 18.551 -18.197 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.115 20.190 -18.523 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.218 17.827 -20.382 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.012 19.094 -20.276 1.00 0.00 H new ATOM 0 HD2 PRO A 76 17.060 19.047 -22.196 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.197 20.500 -21.731 1.00 0.00 H new ATOM 733 N LYS A 77 20.376 18.878 -19.054 1.00 0.00 N ATOM 734 CA LYS A 77 21.404 17.844 -18.901 1.00 0.00 C ATOM 735 C LYS A 77 21.892 17.811 -17.459 1.00 0.00 C ATOM 736 O LYS A 77 22.788 18.563 -17.072 1.00 0.00 O ATOM 737 CB LYS A 77 22.585 18.125 -19.860 1.00 0.00 C ATOM 738 CG LYS A 77 22.379 17.387 -21.190 1.00 0.00 C ATOM 739 CD LYS A 77 21.118 17.911 -21.878 1.00 0.00 C ATOM 740 CE LYS A 77 20.929 17.189 -23.210 1.00 0.00 C ATOM 741 NZ LYS A 77 20.457 15.799 -22.956 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.741 19.828 -19.115 1.00 0.00 H new ATOM 0 HA LYS A 77 20.975 16.874 -19.151 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.669 19.197 -20.040 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.520 17.805 -19.400 1.00 0.00 H new ATOM 0 HG2 LYS A 77 23.245 17.532 -21.836 1.00 0.00 H new ATOM 0 HG3 LYS A 77 22.290 16.315 -21.013 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.249 17.752 -21.239 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.200 18.985 -22.043 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.206 17.723 -23.827 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.868 17.171 -23.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.119 15.379 -23.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 21.242 15.229 -22.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.680 15.817 -22.265 1.00 0.00 H new ATOM 755 N VAL A 78 21.299 16.921 -16.675 1.00 0.00 N ATOM 756 CA VAL A 78 21.666 16.760 -15.271 1.00 0.00 C ATOM 757 C VAL A 78 21.645 15.282 -14.892 1.00 0.00 C ATOM 758 O VAL A 78 21.091 14.454 -15.616 1.00 0.00 O ATOM 759 CB VAL A 78 20.708 17.553 -14.382 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.914 19.049 -14.624 1.00 0.00 C ATOM 761 CG2 VAL A 78 19.263 17.185 -14.721 1.00 0.00 C ATOM 0 H VAL A 78 20.557 16.295 -16.988 1.00 0.00 H new ATOM 0 HA VAL A 78 22.675 17.144 -15.122 1.00 0.00 H new ATOM 0 HB VAL A 78 20.908 17.315 -13.337 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.232 19.617 -13.991 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.942 19.318 -14.383 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.715 19.279 -15.671 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.584 17.753 -14.085 1.00 0.00 H new ATOM 0 HG22 VAL A 78 19.063 17.421 -15.766 1.00 0.00 H new ATOM 0 HG23 VAL A 78 19.110 16.119 -14.554 1.00 0.00 H new ATOM 771 N ILE A 79 22.267 14.952 -13.764 1.00 0.00 N ATOM 772 CA ILE A 79 22.332 13.563 -13.301 1.00 0.00 C ATOM 773 C ILE A 79 21.315 13.320 -12.186 1.00 0.00 C ATOM 774 O ILE A 79 21.329 14.008 -11.166 1.00 0.00 O ATOM 775 CB ILE A 79 23.736 13.271 -12.747 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.831 13.656 -13.771 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.847 11.785 -12.393 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.008 12.565 -14.836 1.00 0.00 C ATOM 0 H ILE A 79 22.733 15.623 -13.153 1.00 0.00 H new ATOM 0 HA ILE A 79 22.110 12.910 -14.145 1.00 0.00 H new ATOM 0 HB ILE A 79 23.887 13.873 -11.851 1.00 0.00 H new ATOM 0 HG12 ILE A 79 24.567 14.597 -14.252 1.00 0.00 H new ATOM 0 HG13 ILE A 79 25.776 13.818 -13.252 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.842 11.578 -12.000 1.00 0.00 H new ATOM 0 HG22 ILE A 79 23.100 11.534 -11.640 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.677 11.184 -13.287 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.784 12.866 -15.540 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.297 11.631 -14.355 1.00 0.00 H new ATOM 0 HD13 ILE A 79 24.069 12.423 -15.371 1.00 0.00 H new ATOM 790 N CYS A 80 20.436 12.340 -12.386 1.00 0.00 N ATOM 791 CA CYS A 80 19.421 12.024 -11.386 1.00 0.00 C ATOM 792 C CYS A 80 20.057 11.502 -10.099 1.00 0.00 C ATOM 793 O CYS A 80 21.254 11.219 -10.056 1.00 0.00 O ATOM 794 CB CYS A 80 18.439 10.982 -11.930 1.00 0.00 C ATOM 795 SG CYS A 80 19.187 9.338 -11.891 1.00 0.00 S ATOM 0 H CYS A 80 20.406 11.757 -13.222 1.00 0.00 H new ATOM 0 HA CYS A 80 18.883 12.945 -11.160 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.525 10.988 -11.336 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.156 11.237 -12.951 1.00 0.00 H new ATOM 0 HG CYS A 80 18.776 8.650 -12.914 1.00 0.00 H new ATOM 800 N ARG A 81 19.242 11.381 -9.054 1.00 0.00 N ATOM 801 CA ARG A 81 19.720 10.893 -7.764 1.00 0.00 C ATOM 802 C ARG A 81 20.182 9.440 -7.866 1.00 0.00 C ATOM 803 O ARG A 81 21.164 9.044 -7.239 1.00 0.00 O ATOM 804 CB ARG A 81 18.600 10.989 -6.727 1.00 0.00 C ATOM 805 CG ARG A 81 18.309 12.457 -6.415 1.00 0.00 C ATOM 806 CD ARG A 81 17.117 12.544 -5.460 1.00 0.00 C ATOM 807 NE ARG A 81 17.450 11.921 -4.185 1.00 0.00 N ATOM 808 CZ ARG A 81 16.501 11.579 -3.318 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.248 11.798 -3.605 1.00 0.00 N ATOM 810 NH2 ARG A 81 16.825 11.023 -2.183 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.249 11.614 -9.075 1.00 0.00 H new ATOM 0 HA ARG A 81 20.565 11.511 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.700 10.502 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.889 10.464 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.185 12.926 -5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.093 13.000 -7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.842 13.587 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.251 12.049 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 81 18.428 11.744 -3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.996 12.231 -4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.519 11.536 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.806 10.851 -1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.098 10.761 -1.518 1.00 0.00 H new ATOM 824 N THR A 82 19.464 8.649 -8.659 1.00 0.00 N ATOM 825 CA THR A 82 19.807 7.242 -8.834 1.00 0.00 C ATOM 826 C THR A 82 21.206 7.116 -9.429 1.00 0.00 C ATOM 827 O THR A 82 22.019 6.309 -8.978 1.00 0.00 O ATOM 828 CB THR A 82 18.786 6.574 -9.762 1.00 0.00 C ATOM 829 OG1 THR A 82 17.473 6.910 -9.333 1.00 0.00 O ATOM 830 CG2 THR A 82 18.959 5.055 -9.718 1.00 0.00 C ATOM 0 H THR A 82 18.647 8.956 -9.187 1.00 0.00 H new ATOM 0 HA THR A 82 19.789 6.747 -7.863 1.00 0.00 H new ATOM 0 HB THR A 82 18.943 6.924 -10.782 1.00 0.00 H new ATOM 0 HG1 THR A 82 16.817 6.486 -9.925 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.230 4.587 -10.380 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.966 4.794 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.804 4.701 -8.699 1.00 0.00 H new ATOM 838 N CYS A 83 21.473 7.935 -10.438 1.00 0.00 N ATOM 839 CA CYS A 83 22.770 7.940 -11.100 1.00 0.00 C ATOM 840 C CYS A 83 23.786 8.735 -10.288 1.00 0.00 C ATOM 841 O CYS A 83 24.978 8.711 -10.586 1.00 0.00 O ATOM 842 CB CYS A 83 22.646 8.574 -12.487 1.00 0.00 C ATOM 843 SG CYS A 83 21.714 7.487 -13.593 1.00 0.00 S ATOM 0 H CYS A 83 20.805 8.607 -10.817 1.00 0.00 H new ATOM 0 HA CYS A 83 23.108 6.908 -11.189 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.147 9.540 -12.410 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.638 8.760 -12.899 1.00 0.00 H new ATOM 0 HG CYS A 83 20.446 7.758 -13.500 1.00 0.00 H new ATOM 947 N SER A 90 29.143 15.135 4.467 1.00 0.00 N ATOM 948 CA SER A 90 27.947 15.409 5.268 1.00 0.00 C ATOM 949 C SER A 90 28.190 16.586 6.202 1.00 0.00 C ATOM 950 O SER A 90 29.333 16.913 6.521 1.00 0.00 O ATOM 951 CB SER A 90 27.568 14.178 6.085 1.00 0.00 C ATOM 952 OG SER A 90 26.411 14.472 6.853 1.00 0.00 O ATOM 0 HA SER A 90 27.130 15.657 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 90 27.377 13.332 5.425 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.392 13.892 6.739 1.00 0.00 H new ATOM 0 HG SER A 90 25.817 15.057 6.338 1.00 0.00 H new ATOM 958 N ILE A 91 27.103 17.228 6.634 1.00 0.00 N ATOM 959 CA ILE A 91 27.200 18.382 7.532 1.00 0.00 C ATOM 960 C ILE A 91 26.313 18.193 8.754 1.00 0.00 C ATOM 961 O ILE A 91 25.134 17.858 8.634 1.00 0.00 O ATOM 962 CB ILE A 91 26.764 19.640 6.793 1.00 0.00 C ATOM 963 CG1 ILE A 91 27.663 19.840 5.571 1.00 0.00 C ATOM 964 CG2 ILE A 91 26.895 20.850 7.722 1.00 0.00 C ATOM 965 CD1 ILE A 91 27.080 20.935 4.682 1.00 0.00 C ATOM 0 H ILE A 91 26.150 16.971 6.379 1.00 0.00 H new ATOM 0 HA ILE A 91 28.236 18.477 7.859 1.00 0.00 H new ATOM 0 HB ILE A 91 25.726 19.537 6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 91 28.670 20.112 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 91 27.746 18.908 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 91 26.583 21.750 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 91 26.263 20.706 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 91 27.933 20.956 8.037 1.00 0.00 H new ATOM 0 HD11 ILE A 91 27.721 21.077 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 91 26.082 20.644 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 91 27.020 21.867 5.244 1.00 0.00 H new ATOM 977 N TRP A 92 26.884 18.417 9.934 1.00 0.00 N ATOM 978 CA TRP A 92 26.132 18.272 11.180 1.00 0.00 C ATOM 979 C TRP A 92 25.393 19.573 11.514 1.00 0.00 C ATOM 980 O TRP A 92 25.983 20.653 11.515 1.00 0.00 O ATOM 981 CB TRP A 92 27.091 17.892 12.327 1.00 0.00 C ATOM 982 CG TRP A 92 26.438 18.159 13.653 1.00 0.00 C ATOM 983 CD1 TRP A 92 25.170 17.817 13.973 1.00 0.00 C ATOM 984 CD2 TRP A 92 26.989 18.828 14.824 1.00 0.00 C ATOM 985 NE1 TRP A 92 24.903 18.238 15.262 1.00 0.00 N ATOM 986 CE2 TRP A 92 25.994 18.861 15.832 1.00 0.00 C ATOM 987 CE3 TRP A 92 28.242 19.399 15.109 1.00 0.00 C ATOM 988 CZ2 TRP A 92 26.234 19.447 17.075 1.00 0.00 C ATOM 989 CZ3 TRP A 92 28.486 19.989 16.360 1.00 0.00 C ATOM 990 CH2 TRP A 92 27.484 20.010 17.342 1.00 0.00 C ATOM 0 H TRP A 92 27.857 18.698 10.055 1.00 0.00 H new ATOM 0 HA TRP A 92 25.394 17.480 11.056 1.00 0.00 H new ATOM 0 HB2 TRP A 92 27.362 16.839 12.251 1.00 0.00 H new ATOM 0 HB3 TRP A 92 28.014 18.466 12.245 1.00 0.00 H new ATOM 0 HD1 TRP A 92 24.478 17.299 13.326 1.00 0.00 H new ATOM 0 HE1 TRP A 92 24.009 18.104 15.734 1.00 0.00 H new ATOM 0 HE3 TRP A 92 29.021 19.384 14.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 25.458 19.465 17.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 29.450 20.429 16.567 1.00 0.00 H new ATOM 0 HH2 TRP A 92 27.679 20.461 18.304 1.00 0.00 H new ATOM 1001 N CYS A 93 24.097 19.450 11.805 1.00 0.00 N ATOM 1002 CA CYS A 93 23.270 20.608 12.156 1.00 0.00 C ATOM 1003 C CYS A 93 23.097 20.697 13.662 1.00 0.00 C ATOM 1004 O CYS A 93 22.971 19.681 14.344 1.00 0.00 O ATOM 1005 CB CYS A 93 21.884 20.496 11.527 1.00 0.00 C ATOM 1006 SG CYS A 93 20.978 22.035 11.829 1.00 0.00 S ATOM 0 H CYS A 93 23.597 18.561 11.805 1.00 0.00 H new ATOM 0 HA CYS A 93 23.776 21.497 11.780 1.00 0.00 H new ATOM 0 HB2 CYS A 93 21.970 20.313 10.456 1.00 0.00 H new ATOM 0 HB3 CYS A 93 21.344 19.651 11.953 1.00 0.00 H new ATOM 0 HG CYS A 93 19.700 21.796 11.814 1.00 0.00 H new ATOM 1011 N THR A 94 23.079 21.922 14.179 1.00 0.00 N ATOM 1012 CA THR A 94 22.902 22.137 15.612 1.00 0.00 C ATOM 1013 C THR A 94 21.461 22.560 15.903 1.00 0.00 C ATOM 1014 O THR A 94 21.031 22.575 17.056 1.00 0.00 O ATOM 1015 CB THR A 94 23.863 23.229 16.098 1.00 0.00 C ATOM 1016 OG1 THR A 94 23.250 24.499 15.929 1.00 0.00 O ATOM 1017 CG2 THR A 94 25.159 23.183 15.283 1.00 0.00 C ATOM 0 H THR A 94 23.184 22.776 13.631 1.00 0.00 H new ATOM 0 HA THR A 94 23.117 21.206 16.137 1.00 0.00 H new ATOM 0 HB THR A 94 24.094 23.064 17.150 1.00 0.00 H new ATOM 0 HG1 THR A 94 23.860 25.200 16.240 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.837 23.961 15.633 1.00 0.00 H new ATOM 0 HG22 THR A 94 25.631 22.208 15.405 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.932 23.347 14.229 1.00 0.00 H new ATOM 1025 N ALA A 95 20.719 22.907 14.846 1.00 0.00 N ATOM 1026 CA ALA A 95 19.326 23.334 14.989 1.00 0.00 C ATOM 1027 C ALA A 95 18.374 22.158 14.797 1.00 0.00 C ATOM 1028 O ALA A 95 17.181 22.261 15.086 1.00 0.00 O ATOM 1029 CB ALA A 95 19.007 24.415 13.955 1.00 0.00 C ATOM 0 H ALA A 95 21.060 22.900 13.885 1.00 0.00 H new ATOM 0 HA ALA A 95 19.193 23.732 15.995 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.969 24.729 14.066 1.00 0.00 H new ATOM 0 HB2 ALA A 95 19.664 25.271 14.109 1.00 0.00 H new ATOM 0 HB3 ALA A 95 19.160 24.016 12.952 1.00 0.00 H new ATOM 1035 N CYS A 96 18.904 21.033 14.307 1.00 0.00 N ATOM 1036 CA CYS A 96 18.096 19.831 14.081 1.00 0.00 C ATOM 1037 C CYS A 96 18.736 18.629 14.772 1.00 0.00 C ATOM 1038 O CYS A 96 18.166 17.542 14.802 1.00 0.00 O ATOM 1039 CB CYS A 96 17.990 19.548 12.581 1.00 0.00 C ATOM 1040 SG CYS A 96 17.358 21.011 11.728 1.00 0.00 S ATOM 0 H CYS A 96 19.888 20.930 14.060 1.00 0.00 H new ATOM 0 HA CYS A 96 17.101 19.999 14.494 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.968 19.277 12.182 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.328 18.700 12.407 1.00 0.00 H new ATOM 0 HG CYS A 96 17.991 21.164 10.603 1.00 0.00 H new ATOM 1045 N GLN A 97 19.923 18.844 15.326 1.00 0.00 N ATOM 1046 CA GLN A 97 20.645 17.779 16.023 1.00 0.00 C ATOM 1047 C GLN A 97 20.707 16.527 15.146 1.00 0.00 C ATOM 1048 O GLN A 97 20.819 15.405 15.643 1.00 0.00 O ATOM 1049 CB GLN A 97 19.948 17.459 17.356 1.00 0.00 C ATOM 1050 CG GLN A 97 20.916 16.735 18.302 1.00 0.00 C ATOM 1051 CD GLN A 97 20.229 16.449 19.632 1.00 0.00 C ATOM 1052 OE1 GLN A 97 19.228 15.734 19.674 1.00 0.00 O ATOM 1053 NE2 GLN A 97 20.711 16.966 20.730 1.00 0.00 N ATOM 0 H GLN A 97 20.407 19.742 15.308 1.00 0.00 H new ATOM 0 HA GLN A 97 21.662 18.114 16.228 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.595 18.380 17.820 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.071 16.837 17.176 1.00 0.00 H new ATOM 0 HG2 GLN A 97 21.251 15.802 17.848 1.00 0.00 H new ATOM 0 HG3 GLN A 97 21.803 17.347 18.466 1.00 0.00 H new ATOM 0 HE21 GLN A 97 21.541 17.558 20.693 1.00 0.00 H new ATOM 0 HE22 GLN A 97 20.258 16.778 21.624 1.00 0.00 H new ATOM 1062 N GLN A 98 20.638 16.723 13.831 1.00 0.00 N ATOM 1063 CA GLN A 98 20.693 15.604 12.882 1.00 0.00 C ATOM 1064 C GLN A 98 21.685 15.898 11.766 1.00 0.00 C ATOM 1065 O GLN A 98 21.805 17.034 11.306 1.00 0.00 O ATOM 1066 CB GLN A 98 19.304 15.358 12.281 1.00 0.00 C ATOM 1067 CG GLN A 98 18.389 14.718 13.329 1.00 0.00 C ATOM 1068 CD GLN A 98 18.840 13.291 13.619 1.00 0.00 C ATOM 1069 OE1 GLN A 98 18.995 12.488 12.699 1.00 0.00 O ATOM 1070 NE2 GLN A 98 19.064 12.925 14.852 1.00 0.00 N ATOM 0 H GLN A 98 20.544 17.641 13.396 1.00 0.00 H new ATOM 0 HA GLN A 98 21.020 14.713 13.419 1.00 0.00 H new ATOM 0 HB2 GLN A 98 18.875 16.299 11.937 1.00 0.00 H new ATOM 0 HB3 GLN A 98 19.385 14.707 11.410 1.00 0.00 H new ATOM 0 HG2 GLN A 98 18.407 15.307 14.246 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.359 14.716 12.971 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.935 13.592 15.613 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.368 11.973 15.054 1.00 0.00 H new ATOM 1079 N THR A 99 22.400 14.860 11.335 1.00 0.00 N ATOM 1080 CA THR A 99 23.390 15.000 10.270 1.00 0.00 C ATOM 1081 C THR A 99 22.755 14.720 8.911 1.00 0.00 C ATOM 1082 O THR A 99 22.083 13.704 8.727 1.00 0.00 O ATOM 1083 CB THR A 99 24.549 14.027 10.511 1.00 0.00 C ATOM 1084 OG1 THR A 99 25.253 14.418 11.680 1.00 0.00 O ATOM 1085 CG2 THR A 99 25.503 14.046 9.315 1.00 0.00 C ATOM 0 H THR A 99 22.312 13.914 11.707 1.00 0.00 H new ATOM 0 HA THR A 99 23.767 16.023 10.275 1.00 0.00 H new ATOM 0 HB THR A 99 24.153 13.020 10.637 1.00 0.00 H new ATOM 0 HG1 THR A 99 25.994 13.797 11.839 1.00 0.00 H new ATOM 0 HG21 THR A 99 26.324 13.352 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 99 24.965 13.747 8.415 1.00 0.00 H new ATOM 0 HG23 THR A 99 25.901 15.052 9.183 1.00 0.00 H new ATOM 1093 N LYS A 100 22.966 15.634 7.964 1.00 0.00 N ATOM 1094 CA LYS A 100 22.406 15.491 6.617 1.00 0.00 C ATOM 1095 C LYS A 100 23.502 15.649 5.565 1.00 0.00 C ATOM 1096 O LYS A 100 24.562 16.213 5.840 1.00 0.00 O ATOM 1097 CB LYS A 100 21.308 16.545 6.390 1.00 0.00 C ATOM 1098 CG LYS A 100 20.575 16.822 7.709 1.00 0.00 C ATOM 1099 CD LYS A 100 19.213 17.491 7.438 1.00 0.00 C ATOM 1100 CE LYS A 100 18.146 16.428 7.133 1.00 0.00 C ATOM 1101 NZ LYS A 100 16.819 17.085 6.995 1.00 0.00 N1+ ATOM 0 H LYS A 100 23.519 16.480 8.102 1.00 0.00 H new ATOM 0 HA LYS A 100 21.972 14.495 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 100 21.748 17.466 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 100 20.602 16.192 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 100 20.427 15.889 8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 100 21.184 17.467 8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 100 18.911 18.080 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 100 19.300 18.180 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 100 18.398 15.897 6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 100 18.116 15.687 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.096 16.367 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.579 17.573 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.853 17.776 6.218 1.00 0.00 H new ATOM 1115 N GLY A 101 23.239 15.149 4.363 1.00 0.00 N ATOM 1116 CA GLY A 101 24.210 15.242 3.282 1.00 0.00 C ATOM 1117 C GLY A 101 24.341 16.677 2.793 1.00 0.00 C ATOM 1118 O GLY A 101 23.562 17.548 3.179 1.00 0.00 O ATOM 0 H GLY A 101 22.369 14.679 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 101 25.179 14.881 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 101 23.905 14.599 2.457 1.00 0.00 H new ATOM 1122 N ILE A 102 25.328 16.916 1.939 1.00 0.00 N ATOM 1123 CA ILE A 102 25.550 18.253 1.401 1.00 0.00 C ATOM 1124 C ILE A 102 24.479 18.606 0.370 1.00 0.00 C ATOM 1125 O ILE A 102 24.253 19.778 0.074 1.00 0.00 O ATOM 1126 CB ILE A 102 26.937 18.345 0.769 1.00 0.00 C ATOM 1127 CG1 ILE A 102 27.099 17.250 -0.285 1.00 0.00 C ATOM 1128 CG2 ILE A 102 28.007 18.178 1.847 1.00 0.00 C ATOM 1129 CD1 ILE A 102 28.517 17.311 -0.857 1.00 0.00 C ATOM 0 H ILE A 102 25.983 16.208 1.606 1.00 0.00 H new ATOM 0 HA ILE A 102 25.487 18.967 2.222 1.00 0.00 H new ATOM 0 HB ILE A 102 27.049 19.320 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 102 26.914 16.271 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 102 26.366 17.383 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 102 28.995 18.244 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 102 27.898 18.965 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 102 27.892 17.206 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 102 28.639 16.532 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 102 28.683 18.287 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 102 29.240 17.158 -0.055 1.00 0.00 H new ATOM 1141 N ASN A 103 23.833 17.581 -0.177 1.00 0.00 N ATOM 1142 CA ASN A 103 22.797 17.789 -1.185 1.00 0.00 C ATOM 1143 C ASN A 103 21.621 18.583 -0.613 1.00 0.00 C ATOM 1144 O ASN A 103 21.080 19.469 -1.275 1.00 0.00 O ATOM 1145 CB ASN A 103 22.289 16.436 -1.690 1.00 0.00 C ATOM 1146 CG ASN A 103 23.374 15.726 -2.494 1.00 0.00 C ATOM 1147 OD1 ASN A 103 23.218 14.557 -2.847 1.00 0.00 O ATOM 1148 ND2 ASN A 103 24.475 16.358 -2.798 1.00 0.00 N ATOM 0 H ASN A 103 24.006 16.604 0.058 1.00 0.00 H new ATOM 0 HA ASN A 103 23.235 18.356 -2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 103 21.988 15.815 -0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 103 21.404 16.581 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 103 25.206 15.883 -3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 103 24.604 17.327 -2.506 1.00 0.00 H new ATOM 1155 N GLU A 104 21.229 18.260 0.619 1.00 0.00 N ATOM 1156 CA GLU A 104 20.114 18.945 1.278 1.00 0.00 C ATOM 1157 C GLU A 104 20.617 20.141 2.071 1.00 0.00 C ATOM 1158 O GLU A 104 19.928 20.651 2.956 1.00 0.00 O ATOM 1159 CB GLU A 104 19.384 17.974 2.209 1.00 0.00 C ATOM 1160 CG GLU A 104 18.745 16.851 1.384 1.00 0.00 C ATOM 1161 CD GLU A 104 17.659 17.414 0.471 1.00 0.00 C ATOM 1162 OE1 GLU A 104 17.195 18.510 0.741 1.00 0.00 O1- ATOM 1163 OE2 GLU A 104 17.310 16.742 -0.486 1.00 0.00 O ATOM 0 H GLU A 104 21.665 17.530 1.181 1.00 0.00 H new ATOM 0 HA GLU A 104 19.423 19.300 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.082 17.554 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.618 18.504 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.507 16.350 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.317 16.101 2.049 1.00 0.00 H new ATOM 1170 N PHE A 105 21.828 20.585 1.742 1.00 0.00 N ATOM 1171 CA PHE A 105 22.447 21.728 2.415 1.00 0.00 C ATOM 1172 C PHE A 105 22.964 22.748 1.401 1.00 0.00 C ATOM 1173 O PHE A 105 23.403 22.398 0.307 1.00 0.00 O ATOM 1174 CB PHE A 105 23.606 21.223 3.307 1.00 0.00 C ATOM 1175 CG PHE A 105 23.235 21.288 4.761 1.00 0.00 C ATOM 1176 CD1 PHE A 105 22.614 20.205 5.384 1.00 0.00 C ATOM 1177 CD2 PHE A 105 23.517 22.443 5.481 1.00 0.00 C ATOM 1178 CE1 PHE A 105 22.276 20.285 6.739 1.00 0.00 C ATOM 1179 CE2 PHE A 105 23.180 22.522 6.824 1.00 0.00 C ATOM 1180 CZ PHE A 105 22.561 21.448 7.458 1.00 0.00 C ATOM 0 H PHE A 105 22.404 20.169 1.010 1.00 0.00 H new ATOM 0 HA PHE A 105 21.698 22.224 3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 105 23.856 20.197 3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 105 24.496 21.826 3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 105 22.395 19.309 4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 105 23.998 23.279 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 105 21.796 19.450 7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 105 23.399 23.421 7.381 1.00 0.00 H new ATOM 0 HZ PHE A 105 22.302 21.514 8.504 1.00 0.00 H new ATOM 1190 N SER A 106 22.906 24.014 1.797 1.00 0.00 N ATOM 1191 CA SER A 106 23.367 25.099 0.949 1.00 0.00 C ATOM 1192 C SER A 106 24.890 25.153 0.935 1.00 0.00 C ATOM 1193 O SER A 106 25.545 24.735 1.891 1.00 0.00 O ATOM 1194 CB SER A 106 22.807 26.425 1.461 1.00 0.00 C ATOM 1195 OG SER A 106 23.464 27.498 0.797 1.00 0.00 O ATOM 0 H SER A 106 22.543 24.312 2.703 1.00 0.00 H new ATOM 0 HA SER A 106 23.015 24.924 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 106 21.733 26.473 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 106 22.954 26.504 2.538 1.00 0.00 H new ATOM 0 HG SER A 106 23.107 28.351 1.121 1.00 0.00 H new ATOM 1201 N LYS A 107 25.443 25.666 -0.152 1.00 0.00 N ATOM 1202 CA LYS A 107 26.891 25.772 -0.281 1.00 0.00 C ATOM 1203 C LYS A 107 27.455 26.741 0.756 1.00 0.00 C ATOM 1204 O LYS A 107 28.483 26.474 1.376 1.00 0.00 O ATOM 1205 CB LYS A 107 27.252 26.241 -1.689 1.00 0.00 C ATOM 1206 CG LYS A 107 28.769 26.201 -1.864 1.00 0.00 C ATOM 1207 CD LYS A 107 29.122 26.566 -3.307 1.00 0.00 C ATOM 1208 CE LYS A 107 30.638 26.511 -3.489 1.00 0.00 C ATOM 1209 NZ LYS A 107 30.977 26.797 -4.911 1.00 0.00 N1+ ATOM 0 H LYS A 107 24.917 26.014 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 107 27.330 24.789 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 107 26.772 25.603 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 107 26.883 27.253 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 107 29.245 26.898 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 107 29.148 25.207 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 107 28.637 25.876 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 107 28.753 27.564 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 107 31.120 27.238 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 107 31.014 25.528 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 32.009 26.760 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 30.528 26.087 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 30.631 27.744 -5.167 1.00 0.00 H new ATOM 1223 N ALA A 108 26.770 27.867 0.939 1.00 0.00 N ATOM 1224 CA ALA A 108 27.208 28.875 1.903 1.00 0.00 C ATOM 1225 C ALA A 108 27.152 28.330 3.328 1.00 0.00 C ATOM 1226 O ALA A 108 28.018 28.627 4.149 1.00 0.00 O ATOM 1227 CB ALA A 108 26.322 30.116 1.798 1.00 0.00 C ATOM 0 H ALA A 108 25.915 28.104 0.436 1.00 0.00 H new ATOM 0 HA ALA A 108 28.240 29.139 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 108 26.654 30.863 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 108 26.391 30.528 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 108 25.288 29.844 2.008 1.00 0.00 H new ATOM 1233 N GLN A 109 26.128 27.532 3.616 1.00 0.00 N ATOM 1234 CA GLN A 109 25.975 26.953 4.947 1.00 0.00 C ATOM 1235 C GLN A 109 27.159 26.044 5.277 1.00 0.00 C ATOM 1236 O GLN A 109 27.537 25.902 6.440 1.00 0.00 O ATOM 1237 CB GLN A 109 24.665 26.158 5.031 1.00 0.00 C ATOM 1238 CG GLN A 109 23.469 27.119 5.126 1.00 0.00 C ATOM 1239 CD GLN A 109 23.477 27.845 6.469 1.00 0.00 C ATOM 1240 OE1 GLN A 109 23.615 27.213 7.517 1.00 0.00 O ATOM 1241 NE2 GLN A 109 23.333 29.142 6.500 1.00 0.00 N ATOM 0 H GLN A 109 25.398 27.273 2.952 1.00 0.00 H new ATOM 0 HA GLN A 109 25.946 27.765 5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 109 24.560 25.521 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 109 24.684 25.502 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 109 23.511 27.844 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 109 22.538 26.564 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 109 23.219 29.663 5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 109 23.335 29.634 7.393 1.00 0.00 H new ATOM 1250 N ARG A 110 27.739 25.429 4.251 1.00 0.00 N ATOM 1251 CA ARG A 110 28.883 24.541 4.452 1.00 0.00 C ATOM 1252 C ARG A 110 30.174 25.353 4.616 1.00 0.00 C ATOM 1253 O ARG A 110 31.160 24.866 5.173 1.00 0.00 O ATOM 1254 CB ARG A 110 29.017 23.590 3.253 1.00 0.00 C ATOM 1255 CG ARG A 110 30.136 22.580 3.518 1.00 0.00 C ATOM 1256 CD ARG A 110 30.251 21.625 2.332 1.00 0.00 C ATOM 1257 NE ARG A 110 31.299 20.644 2.583 1.00 0.00 N ATOM 1258 CZ ARG A 110 31.811 19.920 1.596 1.00 0.00 C ATOM 1259 NH1 ARG A 110 31.380 20.086 0.374 1.00 0.00 N ATOM 1260 NH2 ARG A 110 32.744 19.045 1.848 1.00 0.00 N1+ ATOM 0 H ARG A 110 27.441 25.526 3.280 1.00 0.00 H new ATOM 0 HA ARG A 110 28.719 23.961 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 110 28.075 23.068 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 110 29.234 24.158 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 110 31.081 23.100 3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 110 29.927 22.021 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 110 29.299 21.119 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 110 30.475 22.185 1.424 1.00 0.00 H new ATOM 0 HE ARG A 110 31.645 20.512 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 110 30.650 20.772 0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 110 31.773 19.530 -0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 110 33.079 18.918 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 110 33.139 18.488 1.090 1.00 0.00 H new ATOM 1274 N HIS A 111 30.166 26.594 4.121 1.00 0.00 N ATOM 1275 CA HIS A 111 31.347 27.464 4.207 1.00 0.00 C ATOM 1276 C HIS A 111 31.335 28.318 5.476 1.00 0.00 C ATOM 1277 O HIS A 111 32.052 29.318 5.566 1.00 0.00 O ATOM 1278 CB HIS A 111 31.401 28.380 2.981 1.00 0.00 C ATOM 1279 CG HIS A 111 32.662 29.200 3.018 1.00 0.00 C ATOM 1280 ND1 HIS A 111 32.654 30.579 2.869 1.00 0.00 N ATOM 1281 CD2 HIS A 111 33.979 28.849 3.187 1.00 0.00 C ATOM 1282 CE1 HIS A 111 33.930 31.004 2.953 1.00 0.00 C ATOM 1283 NE2 HIS A 111 34.776 29.989 3.146 1.00 0.00 N ATOM 0 H HIS A 111 29.362 27.019 3.659 1.00 0.00 H new ATOM 0 HA HIS A 111 32.228 26.823 4.241 1.00 0.00 H new ATOM 0 HB2 HIS A 111 31.369 27.785 2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 111 30.530 29.035 2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 111 34.341 27.842 3.330 1.00 0.00 H new ATOM 0 HE1 HIS A 111 34.231 32.038 2.874 1.00 0.00 H new ATOM 0 HE2 HIS A 111 35.790 30.039 3.243 1.00 0.00 H new ATOM 1291 N VAL A 112 30.525 27.925 6.459 1.00 0.00 N ATOM 1292 CA VAL A 112 30.437 28.666 7.725 1.00 0.00 C ATOM 1293 C VAL A 112 30.477 27.706 8.914 1.00 0.00 C ATOM 1294 O VAL A 112 30.217 26.512 8.772 1.00 0.00 O ATOM 1295 CB VAL A 112 29.141 29.478 7.760 1.00 0.00 C ATOM 1296 CG1 VAL A 112 29.195 30.572 6.690 1.00 0.00 C ATOM 1297 CG2 VAL A 112 27.967 28.555 7.463 1.00 0.00 C ATOM 0 H VAL A 112 29.922 27.104 6.408 1.00 0.00 H new ATOM 0 HA VAL A 112 31.291 29.340 7.793 1.00 0.00 H new ATOM 0 HB VAL A 112 29.021 29.932 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 112 28.272 31.151 6.715 1.00 0.00 H new ATOM 0 HG12 VAL A 112 30.041 31.230 6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 112 29.310 30.115 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 112 27.039 29.127 7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 112 28.094 28.110 6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 112 27.926 27.766 8.214 1.00 0.00 H new ATOM 1307 N LEU A 113 30.809 28.244 10.086 1.00 0.00 N ATOM 1308 CA LEU A 113 30.895 27.442 11.310 1.00 0.00 C ATOM 1309 C LEU A 113 29.530 27.401 12.005 1.00 0.00 C ATOM 1310 O LEU A 113 29.439 27.404 13.234 1.00 0.00 O ATOM 1311 CB LEU A 113 31.954 28.047 12.258 1.00 0.00 C ATOM 1312 CG LEU A 113 31.963 29.593 12.125 1.00 0.00 C ATOM 1313 CD1 LEU A 113 32.334 30.234 13.467 1.00 0.00 C ATOM 1314 CD2 LEU A 113 32.990 30.028 11.066 1.00 0.00 C ATOM 0 H LEU A 113 31.023 29.233 10.216 1.00 0.00 H new ATOM 0 HA LEU A 113 31.189 26.425 11.051 1.00 0.00 H new ATOM 0 HB2 LEU A 113 31.737 27.764 13.288 1.00 0.00 H new ATOM 0 HB3 LEU A 113 32.939 27.647 12.019 1.00 0.00 H new ATOM 0 HG LEU A 113 30.967 29.918 11.825 1.00 0.00 H new ATOM 0 HD11 LEU A 113 32.338 31.319 13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 113 31.604 29.944 14.223 1.00 0.00 H new ATOM 0 HD13 LEU A 113 33.325 29.895 13.771 1.00 0.00 H new ATOM 0 HD21 LEU A 113 32.987 31.115 10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 113 33.983 29.689 11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 113 32.728 29.589 10.103 1.00 0.00 H new ATOM 1326 N ASP A 114 28.471 27.360 11.208 1.00 0.00 N ATOM 1327 CA ASP A 114 27.119 27.316 11.751 1.00 0.00 C ATOM 1328 C ASP A 114 26.139 26.865 10.674 1.00 0.00 C ATOM 1329 O ASP A 114 25.213 27.597 10.323 1.00 0.00 O ATOM 1330 CB ASP A 114 26.718 28.700 12.267 1.00 0.00 C ATOM 1331 CG ASP A 114 27.155 29.774 11.276 1.00 0.00 C ATOM 1332 OD1 ASP A 114 26.798 29.661 10.114 1.00 0.00 O ATOM 1333 OD2 ASP A 114 27.842 30.692 11.691 1.00 0.00 O1- ATOM 0 H ASP A 114 28.520 27.356 10.189 1.00 0.00 H new ATOM 0 HA ASP A 114 27.094 26.605 12.577 1.00 0.00 H new ATOM 0 HB2 ASP A 114 25.639 28.744 12.411 1.00 0.00 H new ATOM 0 HB3 ASP A 114 27.177 28.882 13.239 1.00 0.00 H new ATOM 1338 N PRO A 115 26.336 25.693 10.134 1.00 0.00 N ATOM 1339 CA PRO A 115 25.452 25.154 9.060 1.00 0.00 C ATOM 1340 C PRO A 115 24.040 24.850 9.563 1.00 0.00 C ATOM 1341 O PRO A 115 23.857 24.319 10.658 1.00 0.00 O ATOM 1342 CB PRO A 115 26.175 23.876 8.603 1.00 0.00 C ATOM 1343 CG PRO A 115 27.002 23.456 9.776 1.00 0.00 C ATOM 1344 CD PRO A 115 27.410 24.747 10.487 1.00 0.00 C ATOM 0 HA PRO A 115 25.302 25.872 8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 115 25.463 23.099 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 115 26.798 24.067 7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 115 26.434 22.807 10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 115 27.879 22.894 9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 115 27.481 24.605 11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 115 28.383 25.101 10.147 1.00 0.00 H new ATOM 1352 N ARG A 116 23.049 25.192 8.744 1.00 0.00 N ATOM 1353 CA ARG A 116 21.648 24.954 9.085 1.00 0.00 C ATOM 1354 C ARG A 116 20.900 24.390 7.874 1.00 0.00 C ATOM 1355 O ARG A 116 20.758 25.067 6.854 1.00 0.00 O ATOM 1356 CB ARG A 116 21.007 26.273 9.520 1.00 0.00 C ATOM 1357 CG ARG A 116 21.721 26.785 10.772 1.00 0.00 C ATOM 1358 CD ARG A 116 21.102 28.109 11.215 1.00 0.00 C ATOM 1359 NE ARG A 116 21.830 28.644 12.362 1.00 0.00 N ATOM 1360 CZ ARG A 116 21.527 28.288 13.607 1.00 0.00 C ATOM 1361 NH1 ARG A 116 20.563 27.439 13.829 1.00 0.00 N ATOM 1362 NH2 ARG A 116 22.200 28.788 14.607 1.00 0.00 N1+ ATOM 0 H ARG A 116 23.190 25.636 7.837 1.00 0.00 H new ATOM 0 HA ARG A 116 21.592 24.231 9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 116 21.078 27.008 8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 116 19.946 26.127 9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 116 21.642 26.050 11.573 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.783 26.920 10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 116 21.127 28.824 10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 116 20.054 27.960 11.476 1.00 0.00 H new ATOM 0 HE ARG A 116 22.589 29.307 12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 116 20.039 27.046 13.047 1.00 0.00 H new ATOM 0 HH12 ARG A 116 20.333 27.168 14.785 1.00 0.00 H new ATOM 0 HH21 ARG A 116 22.956 29.450 14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 116 21.970 28.517 15.563 1.00 0.00 H new ATOM 1376 N CYS A 117 20.424 23.148 7.988 1.00 0.00 N ATOM 1377 CA CYS A 117 19.692 22.509 6.889 1.00 0.00 C ATOM 1378 C CYS A 117 18.706 23.492 6.255 1.00 0.00 C ATOM 1379 O CYS A 117 18.192 24.389 6.924 1.00 0.00 O ATOM 1380 CB CYS A 117 18.920 21.280 7.411 1.00 0.00 C ATOM 1381 SG CYS A 117 19.813 20.540 8.796 1.00 0.00 S ATOM 0 H CYS A 117 20.530 22.569 8.821 1.00 0.00 H new ATOM 0 HA CYS A 117 20.415 22.194 6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 117 17.919 21.575 7.727 1.00 0.00 H new ATOM 0 HB3 CYS A 117 18.799 20.549 6.612 1.00 0.00 H new ATOM 0 HG CYS A 117 21.073 20.436 8.494 1.00 0.00 H new ATOM 1386 N GLN A 118 18.448 23.310 4.967 1.00 0.00 N ATOM 1387 CA GLN A 118 17.518 24.183 4.264 1.00 0.00 C ATOM 1388 C GLN A 118 16.175 24.235 4.984 1.00 0.00 C ATOM 1389 O GLN A 118 15.308 25.037 4.641 1.00 0.00 O ATOM 1390 CB GLN A 118 17.321 23.704 2.828 1.00 0.00 C ATOM 1391 CG GLN A 118 18.605 23.958 2.037 1.00 0.00 C ATOM 1392 CD GLN A 118 18.431 23.507 0.597 1.00 0.00 C ATOM 1393 OE1 GLN A 118 17.352 23.055 0.211 1.00 0.00 O ATOM 1394 NE2 GLN A 118 19.433 23.608 -0.229 1.00 0.00 N ATOM 0 H GLN A 118 18.863 22.576 4.394 1.00 0.00 H new ATOM 0 HA GLN A 118 17.942 25.187 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 118 17.075 22.642 2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 118 16.485 24.230 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 118 18.855 25.019 2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 118 19.436 23.422 2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 118 20.325 23.983 0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.326 23.312 -1.199 1.00 0.00 H new ATOM 1403 N ILE A 119 15.997 23.363 5.975 1.00 0.00 N ATOM 1404 CA ILE A 119 14.744 23.317 6.731 1.00 0.00 C ATOM 1405 C ILE A 119 14.774 24.268 7.937 1.00 0.00 C ATOM 1406 O ILE A 119 13.846 25.052 8.138 1.00 0.00 O ATOM 1407 CB ILE A 119 14.501 21.891 7.220 1.00 0.00 C ATOM 1408 CG1 ILE A 119 14.357 20.962 6.012 1.00 0.00 C ATOM 1409 CG2 ILE A 119 13.214 21.850 8.045 1.00 0.00 C ATOM 1410 CD1 ILE A 119 14.389 19.506 6.482 1.00 0.00 C ATOM 0 H ILE A 119 16.697 22.684 6.272 1.00 0.00 H new ATOM 0 HA ILE A 119 13.939 23.636 6.069 1.00 0.00 H new ATOM 0 HB ILE A 119 15.340 21.567 7.836 1.00 0.00 H new ATOM 0 HG12 ILE A 119 13.421 21.167 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 119 15.163 21.144 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 119 13.039 20.833 8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 119 13.310 22.517 8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 119 12.375 22.171 7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.286 18.844 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 119 15.336 19.306 6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 119 13.567 19.330 7.176 1.00 0.00 H new ATOM 1422 N CYS A 120 15.835 24.186 8.740 1.00 0.00 N ATOM 1423 CA CYS A 120 15.958 25.038 9.928 1.00 0.00 C ATOM 1424 C CYS A 120 16.047 26.525 9.548 1.00 0.00 C ATOM 1425 O CYS A 120 15.650 27.390 10.329 1.00 0.00 O ATOM 1426 CB CYS A 120 17.195 24.615 10.754 1.00 0.00 C ATOM 1427 SG CYS A 120 18.436 23.906 9.647 1.00 0.00 S ATOM 0 H CYS A 120 16.616 23.546 8.594 1.00 0.00 H new ATOM 0 HA CYS A 120 15.061 24.907 10.534 1.00 0.00 H new ATOM 0 HB2 CYS A 120 17.608 25.476 11.279 1.00 0.00 H new ATOM 0 HB3 CYS A 120 16.909 23.887 11.513 1.00 0.00 H new ATOM 0 HG CYS A 120 18.235 24.337 8.437 1.00 0.00 H new ATOM 1432 N VAL A 121 16.554 26.814 8.354 1.00 0.00 N ATOM 1433 CA VAL A 121 16.664 28.203 7.909 1.00 0.00 C ATOM 1434 C VAL A 121 15.276 28.769 7.605 1.00 0.00 C ATOM 1435 O VAL A 121 14.958 29.900 7.975 1.00 0.00 O ATOM 1436 CB VAL A 121 17.550 28.302 6.660 1.00 0.00 C ATOM 1437 CG1 VAL A 121 18.901 27.628 6.917 1.00 0.00 C ATOM 1438 CG2 VAL A 121 16.852 27.614 5.487 1.00 0.00 C ATOM 0 H VAL A 121 16.890 26.121 7.686 1.00 0.00 H new ATOM 0 HA VAL A 121 17.122 28.785 8.709 1.00 0.00 H new ATOM 0 HB VAL A 121 17.717 29.353 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 121 19.521 27.704 6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 121 19.401 28.122 7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 121 18.743 26.577 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 121 17.480 27.683 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 121 16.681 26.565 5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 121 15.897 28.102 5.295 1.00 0.00 H new ATOM 1448 N HIS A 122 14.459 27.967 6.926 1.00 0.00 N ATOM 1449 CA HIS A 122 13.105 28.384 6.561 1.00 0.00 C ATOM 1450 C HIS A 122 12.148 28.217 7.738 1.00 0.00 C ATOM 1451 O HIS A 122 10.973 28.571 7.647 1.00 0.00 O ATOM 1452 CB HIS A 122 12.599 27.561 5.374 1.00 0.00 C ATOM 1453 CG HIS A 122 13.400 27.899 4.145 1.00 0.00 C ATOM 1454 ND1 HIS A 122 14.440 27.099 3.697 1.00 0.00 N ATOM 1455 CD2 HIS A 122 13.328 28.947 3.260 1.00 0.00 C ATOM 1456 CE1 HIS A 122 14.945 27.670 2.589 1.00 0.00 C ATOM 1457 NE2 HIS A 122 14.303 28.801 2.279 1.00 0.00 N ATOM 0 H HIS A 122 14.709 27.027 6.618 1.00 0.00 H new ATOM 0 HA HIS A 122 13.141 29.438 6.284 1.00 0.00 H new ATOM 0 HB2 HIS A 122 12.684 26.497 5.594 1.00 0.00 H new ATOM 0 HB3 HIS A 122 11.543 27.767 5.200 1.00 0.00 H new ATOM 0 HD1 HIS A 122 14.764 26.234 4.130 1.00 0.00 H new ATOM 0 HD2 HIS A 122 12.621 29.761 3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 122 15.768 27.265 2.019 1.00 0.00 H new