USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 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 Single : A 9 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.231) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.29! C(o=-1.3!,f=-1.3!) USER MOD Single : A 21 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 27 GLN : amide:sc= -0.96 K(o=-0.96,f=-0.21) USER MOD Single : A 28 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.5!) USER MOD Single : A 31 SER OG : rot -59:sc= 0.637 USER MOD Single : A 36 THR OG1 : rot -64:sc= 0.145 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 40 GLN : amide:sc= -0.0837 X(o=-0.084,f=0) USER MOD Single : A 41 SER OG : rot -100:sc= 0.274 USER MOD Single : A 44 ASN : amide:sc= -4.91! K(o=-4.9!,f=-1.1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= -2.41 (180deg=-2.64) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0041 USER MOD Single : A 56 ASN : amide:sc= -0.0455 K(o=-0.046,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 86:sc= 1.06 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -17:sc= 1.18 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.557 USER MOD Single : A 87 CYS SG : rot -80:sc= -3.95! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= -1.35 (180deg=-1.49) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.21) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.00815 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 117 LYS NZ :NH3+ 142:sc= -0.542 (180deg=-2.68!) USER MOD Single : A 118 SER OG : rot 72:sc= 0.992 USER MOD Single : A 119 MET CE :methyl 180:sc=-0.00455 (180deg=-0.00455) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.499 6.223 -6.014 1.00 0.67 N ATOM 129 CA PRO A 8 8.926 5.581 -7.214 1.00 0.58 C ATOM 130 C PRO A 8 7.522 6.136 -7.503 1.00 0.52 C ATOM 131 O PRO A 8 6.969 6.896 -6.734 1.00 0.58 O ATOM 132 CB PRO A 8 8.862 4.073 -6.872 1.00 0.62 C ATOM 133 CG PRO A 8 9.361 3.903 -5.410 1.00 0.71 C ATOM 134 CD PRO A 8 9.826 5.286 -4.912 1.00 0.75 C ATOM 0 HA PRO A 8 9.524 5.769 -8.106 1.00 0.58 H new ATOM 0 HB2 PRO A 8 7.843 3.700 -6.975 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.483 3.498 -7.558 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.563 3.516 -4.776 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.180 3.185 -5.366 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.314 5.566 -3.991 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.894 5.289 -4.696 1.00 0.75 H new ATOM 142 N THR A 9 6.943 5.730 -8.604 1.00 0.48 N ATOM 143 CA THR A 9 5.567 6.191 -8.964 1.00 0.46 C ATOM 144 C THR A 9 4.580 5.084 -8.580 1.00 0.43 C ATOM 145 O THR A 9 4.951 3.935 -8.448 1.00 0.44 O ATOM 146 CB THR A 9 5.505 6.455 -10.486 1.00 0.47 C ATOM 147 OG1 THR A 9 6.598 5.802 -11.114 1.00 0.72 O ATOM 148 CG2 THR A 9 5.587 7.960 -10.769 1.00 0.73 C ATOM 0 H THR A 9 7.369 5.092 -9.276 1.00 0.48 H new ATOM 0 HA THR A 9 5.315 7.111 -8.437 1.00 0.46 H new ATOM 0 HB THR A 9 4.562 6.072 -10.876 1.00 0.47 H new ATOM 0 HG1 THR A 9 6.564 5.964 -12.080 1.00 0.72 H new ATOM 0 HG21 THR A 9 5.542 8.131 -11.845 1.00 0.73 H new ATOM 0 HG22 THR A 9 4.752 8.467 -10.286 1.00 0.73 H new ATOM 0 HG23 THR A 9 6.525 8.353 -10.378 1.00 0.73 H new ATOM 156 N LEU A 10 3.329 5.409 -8.402 1.00 0.41 N ATOM 157 CA LEU A 10 2.354 4.348 -8.031 1.00 0.40 C ATOM 158 C LEU A 10 2.297 3.323 -9.159 1.00 0.39 C ATOM 159 O LEU A 10 2.110 2.144 -8.925 1.00 0.39 O ATOM 160 CB LEU A 10 0.956 4.956 -7.808 1.00 0.41 C ATOM 161 CG LEU A 10 -0.122 3.850 -7.740 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.055 3.009 -6.482 1.00 0.41 C ATOM 163 CD2 LEU A 10 -1.498 4.490 -7.692 1.00 0.41 C ATOM 0 H LEU A 10 2.945 6.349 -8.496 1.00 0.41 H new ATOM 0 HA LEU A 10 2.672 3.870 -7.104 1.00 0.40 H new ATOM 0 HB2 LEU A 10 0.949 5.533 -6.883 1.00 0.41 H new ATOM 0 HB3 LEU A 10 0.723 5.648 -8.617 1.00 0.41 H new ATOM 0 HG LEU A 10 -0.021 3.216 -8.621 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.712 2.235 -6.451 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.040 2.543 -6.492 1.00 0.41 H new ATOM 0 HD13 LEU A 10 -0.036 3.646 -5.602 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -2.260 3.712 -7.644 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -1.573 5.126 -6.810 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -1.651 5.092 -8.588 1.00 0.41 H new ATOM 175 N LYS A 11 2.455 3.746 -10.381 1.00 0.42 N ATOM 176 CA LYS A 11 2.406 2.776 -11.505 1.00 0.44 C ATOM 177 C LYS A 11 3.569 1.802 -11.360 1.00 0.43 C ATOM 178 O LYS A 11 3.487 0.656 -11.754 1.00 0.45 O ATOM 179 CB LYS A 11 2.526 3.535 -12.836 1.00 0.49 C ATOM 180 CG LYS A 11 2.122 2.622 -14.010 1.00 0.83 C ATOM 181 CD LYS A 11 0.592 2.565 -14.150 1.00 0.98 C ATOM 182 CE LYS A 11 0.224 1.989 -15.520 1.00 1.64 C ATOM 183 NZ LYS A 11 0.820 0.631 -15.667 1.00 2.31 N ATOM 0 H LYS A 11 2.615 4.717 -10.648 1.00 0.42 H new ATOM 0 HA LYS A 11 1.464 2.229 -11.490 1.00 0.44 H new ATOM 0 HB2 LYS A 11 1.888 4.419 -12.817 1.00 0.49 H new ATOM 0 HB3 LYS A 11 3.550 3.883 -12.973 1.00 0.49 H new ATOM 0 HG2 LYS A 11 2.564 2.993 -14.935 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.515 1.618 -13.849 1.00 0.83 H new ATOM 0 HD2 LYS A 11 0.167 1.948 -13.358 1.00 0.98 H new ATOM 0 HD3 LYS A 11 0.169 3.563 -14.038 1.00 0.98 H new ATOM 0 HE2 LYS A 11 -0.860 1.935 -15.624 1.00 1.64 H new ATOM 0 HE3 LYS A 11 0.588 2.645 -16.311 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 0.373 0.141 -16.468 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 1.842 0.717 -15.840 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 0.662 0.086 -14.795 1.00 2.31 H new ATOM 197 N ASP A 12 4.658 2.254 -10.803 1.00 0.43 N ATOM 198 CA ASP A 12 5.827 1.354 -10.644 1.00 0.45 C ATOM 199 C ASP A 12 5.401 0.125 -9.843 1.00 0.44 C ATOM 200 O ASP A 12 5.978 -0.938 -9.952 1.00 0.46 O ATOM 201 CB ASP A 12 6.937 2.091 -9.890 1.00 0.48 C ATOM 202 CG ASP A 12 8.198 1.225 -9.866 1.00 1.16 C ATOM 203 OD1 ASP A 12 8.377 0.449 -10.790 1.00 1.94 O ATOM 204 OD2 ASP A 12 8.962 1.352 -8.923 1.00 1.88 O ATOM 0 H ASP A 12 4.786 3.204 -10.453 1.00 0.43 H new ATOM 0 HA ASP A 12 6.195 1.049 -11.624 1.00 0.45 H new ATOM 0 HB2 ASP A 12 7.147 3.046 -10.372 1.00 0.48 H new ATOM 0 HB3 ASP A 12 6.615 2.312 -8.872 1.00 0.48 H new ATOM 209 N ALA A 13 4.394 0.278 -9.013 1.00 0.43 N ATOM 210 CA ALA A 13 3.931 -0.864 -8.177 1.00 0.45 C ATOM 211 C ALA A 13 3.529 -2.038 -9.071 1.00 0.49 C ATOM 212 O ALA A 13 3.469 -3.169 -8.633 1.00 0.57 O ATOM 213 CB ALA A 13 2.727 -0.424 -7.343 1.00 0.44 C ATOM 0 H ALA A 13 3.876 1.147 -8.883 1.00 0.43 H new ATOM 0 HA ALA A 13 4.741 -1.178 -7.519 1.00 0.45 H new ATOM 0 HB1 ALA A 13 2.385 -1.258 -6.730 1.00 0.44 H new ATOM 0 HB2 ALA A 13 3.015 0.407 -6.699 1.00 0.44 H new ATOM 0 HB3 ALA A 13 1.922 -0.107 -8.006 1.00 0.44 H new ATOM 219 N TYR A 14 3.248 -1.780 -10.318 1.00 0.54 N ATOM 220 CA TYR A 14 2.845 -2.884 -11.234 1.00 0.60 C ATOM 221 C TYR A 14 4.094 -3.606 -11.746 1.00 0.67 C ATOM 222 O TYR A 14 4.141 -4.818 -11.784 1.00 1.15 O ATOM 223 CB TYR A 14 2.058 -2.303 -12.412 1.00 0.61 C ATOM 224 CG TYR A 14 0.693 -1.853 -11.934 1.00 0.58 C ATOM 225 CD1 TYR A 14 0.576 -0.714 -11.125 1.00 1.32 C ATOM 226 CD2 TYR A 14 -0.455 -2.572 -12.296 1.00 1.37 C ATOM 227 CE1 TYR A 14 -0.685 -0.294 -10.680 1.00 1.33 C ATOM 228 CE2 TYR A 14 -1.715 -2.152 -11.851 1.00 1.41 C ATOM 229 CZ TYR A 14 -1.829 -1.014 -11.043 1.00 0.70 C ATOM 230 OH TYR A 14 -3.071 -0.601 -10.606 1.00 0.82 O ATOM 0 H TYR A 14 3.280 -0.853 -10.742 1.00 0.54 H new ATOM 0 HA TYR A 14 2.217 -3.596 -10.698 1.00 0.60 H new ATOM 0 HB2 TYR A 14 2.599 -1.462 -12.845 1.00 0.61 H new ATOM 0 HB3 TYR A 14 1.952 -3.052 -13.197 1.00 0.61 H new ATOM 0 HD1 TYR A 14 1.459 -0.159 -10.844 1.00 1.32 H new ATOM 0 HD2 TYR A 14 -0.368 -3.450 -12.918 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -0.774 0.584 -10.058 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -2.599 -2.706 -12.131 1.00 1.41 H new ATOM 0 HH TYR A 14 -3.758 -1.210 -10.949 1.00 0.82 H new ATOM 240 N GLU A 15 5.105 -2.867 -12.134 1.00 0.57 N ATOM 241 CA GLU A 15 6.364 -3.497 -12.646 1.00 0.60 C ATOM 242 C GLU A 15 6.747 -4.702 -11.750 1.00 0.53 C ATOM 243 O GLU A 15 7.204 -4.497 -10.643 1.00 0.57 O ATOM 244 CB GLU A 15 7.494 -2.446 -12.598 1.00 0.68 C ATOM 245 CG GLU A 15 7.706 -1.835 -13.988 1.00 0.89 C ATOM 246 CD GLU A 15 8.773 -0.744 -13.908 1.00 1.59 C ATOM 247 OE1 GLU A 15 9.869 -1.048 -13.468 1.00 2.32 O ATOM 248 OE2 GLU A 15 8.476 0.376 -14.287 1.00 2.12 O ATOM 0 H GLU A 15 5.113 -1.847 -12.118 1.00 0.57 H new ATOM 0 HA GLU A 15 6.215 -3.845 -13.668 1.00 0.60 H new ATOM 0 HB2 GLU A 15 7.242 -1.663 -11.883 1.00 0.68 H new ATOM 0 HB3 GLU A 15 8.418 -2.910 -12.251 1.00 0.68 H new ATOM 0 HG2 GLU A 15 8.013 -2.607 -14.693 1.00 0.89 H new ATOM 0 HG3 GLU A 15 6.770 -1.417 -14.360 1.00 0.89 H new ATOM 255 N PRO A 16 6.558 -5.922 -12.226 1.00 0.51 N ATOM 256 CA PRO A 16 6.897 -7.111 -11.421 1.00 0.48 C ATOM 257 C PRO A 16 8.405 -7.175 -11.114 1.00 0.51 C ATOM 258 O PRO A 16 9.160 -6.260 -11.373 1.00 0.76 O ATOM 259 CB PRO A 16 6.460 -8.321 -12.282 1.00 0.53 C ATOM 260 CG PRO A 16 5.842 -7.764 -13.593 1.00 0.64 C ATOM 261 CD PRO A 16 6.001 -6.231 -13.567 1.00 0.60 C ATOM 0 HA PRO A 16 6.396 -7.092 -10.453 1.00 0.48 H new ATOM 0 HB2 PRO A 16 7.313 -8.962 -12.503 1.00 0.53 H new ATOM 0 HB3 PRO A 16 5.734 -8.931 -11.745 1.00 0.53 H new ATOM 0 HG2 PRO A 16 6.344 -8.187 -14.463 1.00 0.64 H new ATOM 0 HG3 PRO A 16 4.790 -8.039 -13.668 1.00 0.64 H new ATOM 0 HD2 PRO A 16 6.668 -5.890 -14.359 1.00 0.60 H new ATOM 0 HD3 PRO A 16 5.044 -5.733 -13.721 1.00 0.60 H new ATOM 269 N LEU A 17 8.811 -8.271 -10.538 1.00 0.63 N ATOM 270 CA LEU A 17 10.233 -8.495 -10.148 1.00 0.74 C ATOM 271 C LEU A 17 10.584 -9.969 -10.367 1.00 0.79 C ATOM 272 O LEU A 17 9.724 -10.826 -10.397 1.00 1.03 O ATOM 273 CB LEU A 17 10.399 -8.178 -8.653 1.00 0.79 C ATOM 274 CG LEU A 17 10.315 -6.660 -8.407 1.00 1.26 C ATOM 275 CD1 LEU A 17 10.456 -6.394 -6.904 1.00 1.12 C ATOM 276 CD2 LEU A 17 11.440 -5.919 -9.163 1.00 2.28 C ATOM 0 H LEU A 17 8.192 -9.050 -10.313 1.00 0.63 H new ATOM 0 HA LEU A 17 10.882 -7.856 -10.747 1.00 0.74 H new ATOM 0 HB2 LEU A 17 9.625 -8.688 -8.080 1.00 0.79 H new ATOM 0 HB3 LEU A 17 11.358 -8.556 -8.300 1.00 0.79 H new ATOM 0 HG LEU A 17 9.355 -6.295 -8.771 1.00 1.26 H new ATOM 0 HD11 LEU A 17 10.398 -5.322 -6.717 1.00 1.12 H new ATOM 0 HD12 LEU A 17 9.653 -6.900 -6.368 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.418 -6.771 -6.556 1.00 1.12 H new ATOM 0 HD21 LEU A 17 11.361 -4.848 -8.975 1.00 2.28 H new ATOM 0 HD22 LEU A 17 12.409 -6.278 -8.816 1.00 2.28 H new ATOM 0 HD23 LEU A 17 11.345 -6.107 -10.232 1.00 2.28 H new ATOM 288 N TYR A 18 11.849 -10.268 -10.523 1.00 0.78 N ATOM 289 CA TYR A 18 12.273 -11.687 -10.742 1.00 0.88 C ATOM 290 C TYR A 18 12.532 -12.339 -9.366 1.00 0.76 C ATOM 291 O TYR A 18 12.849 -11.640 -8.425 1.00 0.63 O ATOM 292 CB TYR A 18 13.567 -11.705 -11.589 1.00 1.09 C ATOM 293 CG TYR A 18 13.635 -10.455 -12.440 1.00 0.78 C ATOM 294 CD1 TYR A 18 12.523 -10.069 -13.197 1.00 1.41 C ATOM 295 CD2 TYR A 18 14.804 -9.682 -12.469 1.00 1.46 C ATOM 296 CE1 TYR A 18 12.578 -8.912 -13.983 1.00 1.67 C ATOM 297 CE2 TYR A 18 14.858 -8.526 -13.255 1.00 1.64 C ATOM 298 CZ TYR A 18 13.745 -8.141 -14.012 1.00 1.40 C ATOM 299 OH TYR A 18 13.799 -7.000 -14.787 1.00 1.95 O ATOM 0 H TYR A 18 12.610 -9.589 -10.508 1.00 0.78 H new ATOM 0 HA TYR A 18 11.496 -12.241 -11.269 1.00 0.88 H new ATOM 0 HB2 TYR A 18 14.439 -11.761 -10.938 1.00 1.09 H new ATOM 0 HB3 TYR A 18 13.586 -12.591 -12.224 1.00 1.09 H new ATOM 0 HD1 TYR A 18 11.622 -10.664 -13.175 1.00 1.41 H new ATOM 0 HD2 TYR A 18 15.663 -9.979 -11.885 1.00 1.46 H new ATOM 0 HE1 TYR A 18 11.720 -8.615 -14.567 1.00 1.67 H new ATOM 0 HE2 TYR A 18 15.759 -7.930 -13.278 1.00 1.64 H new ATOM 0 HH TYR A 18 14.680 -6.582 -14.693 1.00 1.95 H new ATOM 309 N PRO A 19 12.403 -13.650 -9.269 1.00 0.88 N ATOM 310 CA PRO A 19 12.643 -14.342 -7.988 1.00 0.87 C ATOM 311 C PRO A 19 14.080 -14.085 -7.506 1.00 0.80 C ATOM 312 O PRO A 19 14.379 -14.210 -6.335 1.00 0.77 O ATOM 313 CB PRO A 19 12.417 -15.842 -8.292 1.00 1.11 C ATOM 314 CG PRO A 19 12.102 -15.968 -9.810 1.00 1.24 C ATOM 315 CD PRO A 19 12.016 -14.539 -10.388 1.00 1.09 C ATOM 0 HA PRO A 19 11.982 -13.990 -7.196 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.302 -16.423 -8.034 1.00 1.11 H new ATOM 0 HB3 PRO A 19 11.593 -16.234 -7.695 1.00 1.11 H new ATOM 0 HG2 PRO A 19 12.880 -16.540 -10.316 1.00 1.24 H new ATOM 0 HG3 PRO A 19 11.163 -16.501 -9.964 1.00 1.24 H new ATOM 0 HD2 PRO A 19 12.686 -14.416 -11.239 1.00 1.09 H new ATOM 0 HD3 PRO A 19 11.009 -14.315 -10.740 1.00 1.09 H new ATOM 323 N GLN A 20 14.972 -13.740 -8.397 1.00 0.80 N ATOM 324 CA GLN A 20 16.383 -13.495 -7.977 1.00 0.77 C ATOM 325 C GLN A 20 16.488 -12.131 -7.284 1.00 0.68 C ATOM 326 O GLN A 20 17.264 -11.952 -6.367 1.00 0.67 O ATOM 327 CB GLN A 20 17.297 -13.520 -9.211 1.00 0.85 C ATOM 328 CG GLN A 20 17.616 -14.968 -9.595 1.00 1.41 C ATOM 329 CD GLN A 20 16.314 -15.731 -9.847 1.00 1.86 C ATOM 330 OE1 GLN A 20 15.649 -15.511 -10.840 1.00 2.60 O ATOM 331 NE2 GLN A 20 15.920 -16.628 -8.985 1.00 2.30 N ATOM 0 H GLN A 20 14.786 -13.618 -9.392 1.00 0.80 H new ATOM 0 HA GLN A 20 16.693 -14.275 -7.281 1.00 0.77 H new ATOM 0 HB2 GLN A 20 16.811 -13.012 -10.044 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.220 -12.978 -9.002 1.00 0.85 H new ATOM 0 HG2 GLN A 20 18.240 -14.989 -10.488 1.00 1.41 H new ATOM 0 HG3 GLN A 20 18.183 -15.450 -8.798 1.00 1.41 H new ATOM 0 HE21 GLN A 20 16.477 -16.813 -8.151 1.00 2.30 H new ATOM 0 HE22 GLN A 20 15.055 -17.144 -9.145 1.00 2.30 H new ATOM 340 N GLN A 21 15.722 -11.168 -7.713 1.00 0.64 N ATOM 341 CA GLN A 21 15.793 -9.826 -7.069 1.00 0.59 C ATOM 342 C GLN A 21 15.180 -9.902 -5.668 1.00 0.50 C ATOM 343 O GLN A 21 15.561 -9.174 -4.771 1.00 0.47 O ATOM 344 CB GLN A 21 15.013 -8.812 -7.914 1.00 0.64 C ATOM 345 CG GLN A 21 15.814 -8.459 -9.171 1.00 1.02 C ATOM 346 CD GLN A 21 16.997 -7.564 -8.793 1.00 1.57 C ATOM 347 OE1 GLN A 21 18.134 -7.991 -8.834 1.00 2.34 O ATOM 348 NE2 GLN A 21 16.776 -6.331 -8.427 1.00 1.94 N ATOM 0 H GLN A 21 15.052 -11.250 -8.478 1.00 0.64 H new ATOM 0 HA GLN A 21 16.834 -9.512 -6.995 1.00 0.59 H new ATOM 0 HB2 GLN A 21 14.044 -9.226 -8.193 1.00 0.64 H new ATOM 0 HB3 GLN A 21 14.819 -7.912 -7.331 1.00 0.64 H new ATOM 0 HG2 GLN A 21 16.173 -9.368 -9.653 1.00 1.02 H new ATOM 0 HG3 GLN A 21 15.174 -7.948 -9.890 1.00 1.02 H new ATOM 0 HE21 GLN A 21 15.822 -5.972 -8.393 1.00 1.94 H new ATOM 0 HE22 GLN A 21 17.558 -5.726 -8.175 1.00 1.94 H new ATOM 357 N LEU A 22 14.221 -10.766 -5.477 1.00 0.52 N ATOM 358 CA LEU A 22 13.566 -10.880 -4.145 1.00 0.46 C ATOM 359 C LEU A 22 14.498 -11.568 -3.142 1.00 0.42 C ATOM 360 O LEU A 22 14.636 -11.129 -2.017 1.00 0.40 O ATOM 361 CB LEU A 22 12.284 -11.702 -4.301 1.00 0.52 C ATOM 362 CG LEU A 22 11.423 -11.606 -3.031 1.00 0.59 C ATOM 363 CD1 LEU A 22 10.713 -10.241 -2.956 1.00 0.52 C ATOM 364 CD2 LEU A 22 10.375 -12.723 -3.058 1.00 0.93 C ATOM 0 H LEU A 22 13.862 -11.401 -6.190 1.00 0.52 H new ATOM 0 HA LEU A 22 13.335 -9.883 -3.770 1.00 0.46 H new ATOM 0 HB2 LEU A 22 11.717 -11.342 -5.160 1.00 0.52 H new ATOM 0 HB3 LEU A 22 12.535 -12.744 -4.499 1.00 0.52 H new ATOM 0 HG LEU A 22 12.066 -11.710 -2.157 1.00 0.59 H new ATOM 0 HD11 LEU A 22 10.109 -10.194 -2.050 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.457 -9.444 -2.938 1.00 0.52 H new ATOM 0 HD13 LEU A 22 10.070 -10.117 -3.827 1.00 0.52 H new ATOM 0 HD21 LEU A 22 9.758 -12.665 -2.161 1.00 0.93 H new ATOM 0 HD22 LEU A 22 9.745 -12.609 -3.940 1.00 0.93 H new ATOM 0 HD23 LEU A 22 10.875 -13.691 -3.092 1.00 0.93 H new ATOM 376 N GLU A 23 15.127 -12.649 -3.520 1.00 0.44 N ATOM 377 CA GLU A 23 16.023 -13.347 -2.554 1.00 0.42 C ATOM 378 C GLU A 23 17.178 -12.415 -2.163 1.00 0.38 C ATOM 379 O GLU A 23 17.701 -12.485 -1.069 1.00 0.37 O ATOM 380 CB GLU A 23 16.550 -14.654 -3.178 1.00 0.47 C ATOM 381 CG GLU A 23 17.795 -14.387 -4.037 1.00 1.13 C ATOM 382 CD GLU A 23 18.052 -15.582 -4.960 1.00 1.66 C ATOM 383 OE1 GLU A 23 17.838 -16.700 -4.522 1.00 2.28 O ATOM 384 OE2 GLU A 23 18.459 -15.357 -6.088 1.00 2.30 O ATOM 0 H GLU A 23 15.061 -13.075 -4.445 1.00 0.44 H new ATOM 0 HA GLU A 23 15.466 -13.604 -1.653 1.00 0.42 H new ATOM 0 HB2 GLU A 23 16.793 -15.366 -2.389 1.00 0.47 H new ATOM 0 HB3 GLU A 23 15.772 -15.109 -3.790 1.00 0.47 H new ATOM 0 HG2 GLU A 23 17.653 -13.482 -4.628 1.00 1.13 H new ATOM 0 HG3 GLU A 23 18.661 -14.217 -3.397 1.00 1.13 H new ATOM 391 N ILE A 24 17.571 -11.539 -3.047 1.00 0.39 N ATOM 392 CA ILE A 24 18.677 -10.601 -2.726 1.00 0.39 C ATOM 393 C ILE A 24 18.238 -9.698 -1.567 1.00 0.36 C ATOM 394 O ILE A 24 18.948 -9.533 -0.595 1.00 0.37 O ATOM 395 CB ILE A 24 18.995 -9.768 -3.975 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.739 -10.649 -4.993 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.871 -8.570 -3.603 1.00 0.48 C ATOM 398 CD1 ILE A 24 19.779 -9.974 -6.375 1.00 0.89 C ATOM 0 H ILE A 24 17.171 -11.434 -3.979 1.00 0.39 H new ATOM 0 HA ILE A 24 19.573 -11.145 -2.428 1.00 0.39 H new ATOM 0 HB ILE A 24 18.064 -9.403 -4.408 1.00 0.44 H new ATOM 0 HG12 ILE A 24 20.755 -10.835 -4.645 1.00 0.52 H new ATOM 0 HG13 ILE A 24 19.246 -11.618 -5.071 1.00 0.52 H new ATOM 0 HG21 ILE A 24 20.089 -7.987 -4.498 1.00 0.48 H new ATOM 0 HG22 ILE A 24 19.345 -7.944 -2.882 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.804 -8.924 -3.164 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.310 -10.616 -7.078 1.00 0.89 H new ATOM 0 HD12 ILE A 24 18.761 -9.811 -6.730 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.294 -9.016 -6.297 1.00 0.89 H new ATOM 410 N LEU A 25 17.068 -9.124 -1.654 1.00 0.34 N ATOM 411 CA LEU A 25 16.587 -8.249 -0.546 1.00 0.34 C ATOM 412 C LEU A 25 16.543 -9.067 0.748 1.00 0.32 C ATOM 413 O LEU A 25 16.697 -8.544 1.834 1.00 0.34 O ATOM 414 CB LEU A 25 15.179 -7.735 -0.868 1.00 0.36 C ATOM 415 CG LEU A 25 15.209 -6.866 -2.135 1.00 0.38 C ATOM 416 CD1 LEU A 25 13.778 -6.662 -2.642 1.00 0.44 C ATOM 417 CD2 LEU A 25 15.843 -5.497 -1.832 1.00 0.41 C ATOM 0 H LEU A 25 16.427 -9.223 -2.441 1.00 0.34 H new ATOM 0 HA LEU A 25 17.262 -7.401 -0.429 1.00 0.34 H new ATOM 0 HB2 LEU A 25 14.501 -8.576 -1.011 1.00 0.36 H new ATOM 0 HB3 LEU A 25 14.795 -7.155 -0.029 1.00 0.36 H new ATOM 0 HG LEU A 25 15.806 -7.370 -2.895 1.00 0.38 H new ATOM 0 HD11 LEU A 25 13.795 -6.046 -3.541 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.333 -7.630 -2.874 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.187 -6.165 -1.873 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.857 -4.894 -2.740 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.259 -4.987 -1.066 1.00 0.41 H new ATOM 0 HD23 LEU A 25 16.863 -5.639 -1.475 1.00 0.41 H new ATOM 429 N ARG A 26 16.337 -10.351 0.633 1.00 0.31 N ATOM 430 CA ARG A 26 16.285 -11.219 1.840 1.00 0.33 C ATOM 431 C ARG A 26 17.706 -11.482 2.329 1.00 0.31 C ATOM 432 O ARG A 26 17.959 -11.576 3.513 1.00 0.32 O ATOM 433 CB ARG A 26 15.619 -12.553 1.488 1.00 0.38 C ATOM 434 CG ARG A 26 14.119 -12.345 1.272 1.00 0.69 C ATOM 435 CD ARG A 26 13.430 -13.706 1.163 1.00 1.00 C ATOM 436 NE ARG A 26 13.458 -14.383 2.490 1.00 1.36 N ATOM 437 CZ ARG A 26 12.689 -15.413 2.714 1.00 1.86 C ATOM 438 NH1 ARG A 26 11.891 -15.850 1.778 1.00 2.36 N ATOM 439 NH2 ARG A 26 12.718 -16.007 3.876 1.00 2.46 N ATOM 0 H ARG A 26 16.202 -10.838 -0.253 1.00 0.31 H new ATOM 0 HA ARG A 26 15.709 -10.721 2.620 1.00 0.33 H new ATOM 0 HB2 ARG A 26 16.071 -12.968 0.587 1.00 0.38 H new ATOM 0 HB3 ARG A 26 15.783 -13.274 2.289 1.00 0.38 H new ATOM 0 HG2 ARG A 26 13.696 -11.776 2.100 1.00 0.69 H new ATOM 0 HG3 ARG A 26 13.948 -11.764 0.366 1.00 0.69 H new ATOM 0 HD2 ARG A 26 12.400 -13.579 0.829 1.00 1.00 H new ATOM 0 HD3 ARG A 26 13.933 -14.322 0.418 1.00 1.00 H new ATOM 0 HE ARG A 26 14.079 -14.041 3.224 1.00 1.36 H new ATOM 0 HH11 ARG A 26 11.868 -15.386 0.870 1.00 2.36 H new ATOM 0 HH12 ARG A 26 11.290 -16.655 1.955 1.00 2.36 H new ATOM 0 HH21 ARG A 26 13.341 -15.666 4.608 1.00 2.46 H new ATOM 0 HH22 ARG A 26 12.117 -16.812 4.052 1.00 2.46 H new ATOM 453 N GLN A 27 18.645 -11.576 1.428 1.00 0.31 N ATOM 454 CA GLN A 27 20.053 -11.806 1.843 1.00 0.32 C ATOM 455 C GLN A 27 20.496 -10.645 2.730 1.00 0.31 C ATOM 456 O GLN A 27 21.114 -10.832 3.758 1.00 0.33 O ATOM 457 CB GLN A 27 20.938 -11.860 0.592 1.00 0.33 C ATOM 458 CG GLN A 27 22.374 -12.230 0.979 1.00 0.99 C ATOM 459 CD GLN A 27 22.415 -13.665 1.511 1.00 1.48 C ATOM 460 OE1 GLN A 27 23.144 -13.961 2.437 1.00 2.02 O ATOM 461 NE2 GLN A 27 21.660 -14.575 0.960 1.00 2.23 N ATOM 0 H GLN A 27 18.495 -11.503 0.422 1.00 0.31 H new ATOM 0 HA GLN A 27 20.139 -12.744 2.391 1.00 0.32 H new ATOM 0 HB2 GLN A 27 20.542 -12.593 -0.112 1.00 0.33 H new ATOM 0 HB3 GLN A 27 20.926 -10.894 0.087 1.00 0.33 H new ATOM 0 HG2 GLN A 27 23.030 -12.135 0.113 1.00 0.99 H new ATOM 0 HG3 GLN A 27 22.745 -11.541 1.737 1.00 0.99 H new ATOM 0 HE21 GLN A 27 21.048 -14.327 0.183 1.00 2.23 H new ATOM 0 HE22 GLN A 27 21.682 -15.534 1.307 1.00 2.23 H new ATOM 470 N GLN A 28 20.173 -9.444 2.338 1.00 0.30 N ATOM 471 CA GLN A 28 20.564 -8.264 3.154 1.00 0.31 C ATOM 472 C GLN A 28 19.828 -8.314 4.493 1.00 0.30 C ATOM 473 O GLN A 28 20.341 -7.888 5.509 1.00 0.34 O ATOM 474 CB GLN A 28 20.183 -6.982 2.410 1.00 0.33 C ATOM 475 CG GLN A 28 21.057 -6.832 1.162 1.00 1.10 C ATOM 476 CD GLN A 28 22.483 -6.464 1.575 1.00 1.61 C ATOM 477 OE1 GLN A 28 22.733 -6.143 2.719 1.00 2.28 O ATOM 478 NE2 GLN A 28 23.436 -6.497 0.683 1.00 2.28 N ATOM 0 H GLN A 28 19.654 -9.230 1.486 1.00 0.30 H new ATOM 0 HA GLN A 28 21.640 -8.276 3.326 1.00 0.31 H new ATOM 0 HB2 GLN A 28 19.131 -7.013 2.128 1.00 0.33 H new ATOM 0 HB3 GLN A 28 20.313 -6.119 3.063 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.061 -7.763 0.594 1.00 1.10 H new ATOM 0 HG3 GLN A 28 20.647 -6.062 0.509 1.00 1.10 H new ATOM 0 HE21 GLN A 28 23.226 -6.767 -0.278 1.00 2.28 H new ATOM 0 HE22 GLN A 28 24.391 -6.253 0.947 1.00 2.28 H new ATOM 487 N VAL A 29 18.630 -8.834 4.505 1.00 0.27 N ATOM 488 CA VAL A 29 17.869 -8.909 5.785 1.00 0.28 C ATOM 489 C VAL A 29 18.379 -10.099 6.608 1.00 0.30 C ATOM 490 O VAL A 29 18.699 -9.968 7.773 1.00 0.33 O ATOM 491 CB VAL A 29 16.376 -9.081 5.471 1.00 0.27 C ATOM 492 CG1 VAL A 29 15.607 -9.491 6.736 1.00 0.30 C ATOM 493 CG2 VAL A 29 15.817 -7.758 4.939 1.00 0.27 C ATOM 0 H VAL A 29 18.147 -9.208 3.688 1.00 0.27 H new ATOM 0 HA VAL A 29 18.011 -7.994 6.360 1.00 0.28 H new ATOM 0 HB VAL A 29 16.258 -9.863 4.721 1.00 0.27 H new ATOM 0 HG11 VAL A 29 14.550 -9.609 6.497 1.00 0.30 H new ATOM 0 HG12 VAL A 29 16.002 -10.435 7.112 1.00 0.30 H new ATOM 0 HG13 VAL A 29 15.723 -8.720 7.498 1.00 0.30 H new ATOM 0 HG21 VAL A 29 14.757 -7.875 4.714 1.00 0.27 H new ATOM 0 HG22 VAL A 29 15.945 -6.980 5.692 1.00 0.27 H new ATOM 0 HG23 VAL A 29 16.351 -7.476 4.032 1.00 0.27 H new ATOM 503 N VAL A 30 18.448 -11.258 6.014 1.00 0.31 N ATOM 504 CA VAL A 30 18.926 -12.455 6.760 1.00 0.35 C ATOM 505 C VAL A 30 20.405 -12.294 7.114 1.00 0.37 C ATOM 506 O VAL A 30 20.844 -12.685 8.178 1.00 0.42 O ATOM 507 CB VAL A 30 18.750 -13.694 5.882 1.00 0.35 C ATOM 508 CG1 VAL A 30 19.215 -14.934 6.644 1.00 0.40 C ATOM 509 CG2 VAL A 30 17.276 -13.848 5.511 1.00 0.35 C ATOM 0 H VAL A 30 18.193 -11.428 5.041 1.00 0.31 H new ATOM 0 HA VAL A 30 18.348 -12.562 7.678 1.00 0.35 H new ATOM 0 HB VAL A 30 19.345 -13.583 4.976 1.00 0.35 H new ATOM 0 HG11 VAL A 30 19.088 -15.816 6.016 1.00 0.40 H new ATOM 0 HG12 VAL A 30 20.267 -14.825 6.909 1.00 0.40 H new ATOM 0 HG13 VAL A 30 18.622 -15.047 7.552 1.00 0.40 H new ATOM 0 HG21 VAL A 30 17.149 -14.731 4.885 1.00 0.35 H new ATOM 0 HG22 VAL A 30 16.682 -13.958 6.418 1.00 0.35 H new ATOM 0 HG23 VAL A 30 16.944 -12.965 4.965 1.00 0.35 H new ATOM 519 N SER A 31 21.181 -11.735 6.228 1.00 0.36 N ATOM 520 CA SER A 31 22.636 -11.568 6.517 1.00 0.39 C ATOM 521 C SER A 31 22.835 -10.565 7.657 1.00 0.42 C ATOM 522 O SER A 31 23.774 -10.664 8.421 1.00 0.47 O ATOM 523 CB SER A 31 23.357 -11.066 5.267 1.00 0.38 C ATOM 524 OG SER A 31 22.880 -9.768 4.938 1.00 1.36 O ATOM 0 H SER A 31 20.874 -11.387 5.320 1.00 0.36 H new ATOM 0 HA SER A 31 23.049 -12.533 6.813 1.00 0.39 H new ATOM 0 HB2 SER A 31 24.433 -11.037 5.441 1.00 0.38 H new ATOM 0 HB3 SER A 31 23.187 -11.750 4.436 1.00 0.38 H new ATOM 0 HG SER A 31 21.914 -9.806 4.776 1.00 1.36 H new ATOM 530 N GLU A 32 21.971 -9.592 7.775 1.00 0.42 N ATOM 531 CA GLU A 32 22.133 -8.583 8.862 1.00 0.47 C ATOM 532 C GLU A 32 21.574 -9.145 10.173 1.00 0.49 C ATOM 533 O GLU A 32 21.707 -8.540 11.218 1.00 0.54 O ATOM 534 CB GLU A 32 21.385 -7.303 8.488 1.00 0.48 C ATOM 535 CG GLU A 32 22.089 -6.611 7.312 1.00 0.79 C ATOM 536 CD GLU A 32 23.317 -5.849 7.818 1.00 1.50 C ATOM 537 OE1 GLU A 32 23.142 -4.751 8.320 1.00 2.22 O ATOM 538 OE2 GLU A 32 24.410 -6.376 7.694 1.00 2.23 O ATOM 0 H GLU A 32 21.163 -9.452 7.168 1.00 0.42 H new ATOM 0 HA GLU A 32 23.191 -8.357 8.991 1.00 0.47 H new ATOM 0 HB2 GLU A 32 20.355 -7.539 8.219 1.00 0.48 H new ATOM 0 HB3 GLU A 32 21.345 -6.631 9.345 1.00 0.48 H new ATOM 0 HG2 GLU A 32 22.389 -7.351 6.570 1.00 0.79 H new ATOM 0 HG3 GLU A 32 21.402 -5.924 6.818 1.00 0.79 H new ATOM 545 N GLY A 33 20.972 -10.310 10.125 1.00 0.47 N ATOM 546 CA GLY A 33 20.420 -10.941 11.370 1.00 0.50 C ATOM 547 C GLY A 33 18.905 -11.138 11.257 1.00 0.50 C ATOM 548 O GLY A 33 18.232 -11.378 12.240 1.00 0.66 O ATOM 0 H GLY A 33 20.838 -10.855 9.273 1.00 0.47 H new ATOM 0 HA2 GLY A 33 20.904 -11.903 11.541 1.00 0.50 H new ATOM 0 HA3 GLY A 33 20.646 -10.313 12.232 1.00 0.50 H new ATOM 552 N GLY A 34 18.360 -11.058 10.075 1.00 0.43 N ATOM 553 CA GLY A 34 16.891 -11.263 9.919 1.00 0.43 C ATOM 554 C GLY A 34 16.117 -10.124 10.626 1.00 0.43 C ATOM 555 O GLY A 34 16.261 -8.983 10.236 1.00 0.41 O ATOM 0 H GLY A 34 18.866 -10.860 9.212 1.00 0.43 H new ATOM 0 HA2 GLY A 34 16.630 -11.289 8.861 1.00 0.43 H new ATOM 0 HA3 GLY A 34 16.603 -12.226 10.342 1.00 0.43 H new ATOM 559 N PRO A 35 15.309 -10.431 11.635 1.00 0.47 N ATOM 560 CA PRO A 35 14.540 -9.381 12.337 1.00 0.51 C ATOM 561 C PRO A 35 15.491 -8.324 12.914 1.00 0.52 C ATOM 562 O PRO A 35 15.225 -7.139 12.860 1.00 0.64 O ATOM 563 CB PRO A 35 13.779 -10.122 13.461 1.00 0.57 C ATOM 564 CG PRO A 35 14.109 -11.635 13.334 1.00 0.58 C ATOM 565 CD PRO A 35 15.093 -11.802 12.158 1.00 0.52 C ATOM 0 HA PRO A 35 13.856 -8.852 11.673 1.00 0.51 H new ATOM 0 HB2 PRO A 35 14.079 -9.746 14.439 1.00 0.57 H new ATOM 0 HB3 PRO A 35 12.706 -9.955 13.371 1.00 0.57 H new ATOM 0 HG2 PRO A 35 14.550 -12.009 14.258 1.00 0.58 H new ATOM 0 HG3 PRO A 35 13.201 -12.211 13.158 1.00 0.58 H new ATOM 0 HD2 PRO A 35 16.030 -12.249 12.489 1.00 0.52 H new ATOM 0 HD3 PRO A 35 14.681 -12.456 11.390 1.00 0.52 H new ATOM 573 N THR A 36 16.592 -8.747 13.467 1.00 0.50 N ATOM 574 CA THR A 36 17.558 -7.777 14.050 1.00 0.50 C ATOM 575 C THR A 36 18.235 -6.988 12.928 1.00 0.48 C ATOM 576 O THR A 36 19.202 -6.285 13.146 1.00 0.48 O ATOM 577 CB THR A 36 18.621 -8.542 14.843 1.00 0.51 C ATOM 578 OG1 THR A 36 19.354 -9.379 13.962 1.00 0.69 O ATOM 579 CG2 THR A 36 17.943 -9.397 15.917 1.00 0.80 C ATOM 0 H THR A 36 16.865 -9.727 13.541 1.00 0.50 H new ATOM 0 HA THR A 36 17.029 -7.088 14.708 1.00 0.50 H new ATOM 0 HB THR A 36 19.299 -7.834 15.320 1.00 0.51 H new ATOM 0 HG1 THR A 36 18.757 -10.059 13.584 1.00 0.69 H new ATOM 0 HG21 THR A 36 18.701 -9.941 16.481 1.00 0.80 H new ATOM 0 HG22 THR A 36 17.380 -8.753 16.593 1.00 0.80 H new ATOM 0 HG23 THR A 36 17.265 -10.106 15.443 1.00 0.80 H new ATOM 587 N ALA A 37 17.742 -7.105 11.724 1.00 0.48 N ATOM 588 CA ALA A 37 18.368 -6.368 10.590 1.00 0.48 C ATOM 589 C ALA A 37 18.042 -4.876 10.701 1.00 0.55 C ATOM 590 O ALA A 37 17.093 -4.484 11.349 1.00 1.10 O ATOM 591 CB ALA A 37 17.831 -6.911 9.265 1.00 0.42 C ATOM 0 H ALA A 37 16.935 -7.678 11.478 1.00 0.48 H new ATOM 0 HA ALA A 37 19.449 -6.505 10.626 1.00 0.48 H new ATOM 0 HB1 ALA A 37 18.290 -6.370 8.437 1.00 0.42 H new ATOM 0 HB2 ALA A 37 18.070 -7.971 9.183 1.00 0.42 H new ATOM 0 HB3 ALA A 37 16.750 -6.779 9.229 1.00 0.42 H new ATOM 597 N THR A 38 18.824 -4.043 10.069 1.00 0.45 N ATOM 598 CA THR A 38 18.565 -2.578 10.134 1.00 0.46 C ATOM 599 C THR A 38 17.163 -2.283 9.603 1.00 0.40 C ATOM 600 O THR A 38 16.602 -3.049 8.844 1.00 0.36 O ATOM 601 CB THR A 38 19.592 -1.839 9.272 1.00 0.48 C ATOM 602 OG1 THR A 38 19.548 -2.349 7.946 1.00 0.66 O ATOM 603 CG2 THR A 38 20.992 -2.041 9.852 1.00 0.66 C ATOM 0 H THR A 38 19.632 -4.315 9.510 1.00 0.45 H new ATOM 0 HA THR A 38 18.644 -2.244 11.169 1.00 0.46 H new ATOM 0 HB THR A 38 19.358 -0.774 9.262 1.00 0.48 H new ATOM 0 HG1 THR A 38 20.203 -1.876 7.392 1.00 0.66 H new ATOM 0 HG21 THR A 38 21.721 -1.514 9.236 1.00 0.66 H new ATOM 0 HG22 THR A 38 21.025 -1.649 10.869 1.00 0.66 H new ATOM 0 HG23 THR A 38 21.230 -3.105 9.865 1.00 0.66 H new ATOM 611 N ILE A 39 16.594 -1.177 9.991 1.00 0.47 N ATOM 612 CA ILE A 39 15.231 -0.831 9.504 1.00 0.45 C ATOM 613 C ILE A 39 15.257 -0.711 7.976 1.00 0.40 C ATOM 614 O ILE A 39 14.389 -1.213 7.290 1.00 0.38 O ATOM 615 CB ILE A 39 14.798 0.506 10.132 1.00 0.55 C ATOM 616 CG1 ILE A 39 14.391 0.271 11.593 1.00 0.73 C ATOM 617 CG2 ILE A 39 13.610 1.093 9.359 1.00 0.53 C ATOM 618 CD1 ILE A 39 14.219 1.616 12.304 1.00 0.73 C ATOM 0 H ILE A 39 17.014 -0.497 10.625 1.00 0.47 H new ATOM 0 HA ILE A 39 14.522 -1.608 9.789 1.00 0.45 H new ATOM 0 HB ILE A 39 15.631 1.208 10.088 1.00 0.55 H new ATOM 0 HG12 ILE A 39 13.460 -0.295 11.635 1.00 0.73 H new ATOM 0 HG13 ILE A 39 15.149 -0.325 12.100 1.00 0.73 H new ATOM 0 HG21 ILE A 39 13.312 2.039 9.812 1.00 0.53 H new ATOM 0 HG22 ILE A 39 13.899 1.263 8.322 1.00 0.53 H new ATOM 0 HG23 ILE A 39 12.773 0.395 9.393 1.00 0.53 H new ATOM 0 HD11 ILE A 39 13.930 1.445 13.341 1.00 0.73 H new ATOM 0 HD12 ILE A 39 15.160 2.166 12.275 1.00 0.73 H new ATOM 0 HD13 ILE A 39 13.444 2.196 11.802 1.00 0.73 H new ATOM 630 N GLN A 40 16.241 -0.045 7.440 1.00 0.42 N ATOM 631 CA GLN A 40 16.316 0.113 5.960 1.00 0.43 C ATOM 632 C GLN A 40 16.269 -1.261 5.291 1.00 0.35 C ATOM 633 O GLN A 40 15.820 -1.402 4.170 1.00 0.37 O ATOM 634 CB GLN A 40 17.623 0.815 5.586 1.00 0.53 C ATOM 635 CG GLN A 40 17.623 1.122 4.088 1.00 1.38 C ATOM 636 CD GLN A 40 18.879 1.918 3.729 1.00 1.91 C ATOM 637 OE1 GLN A 40 19.625 1.534 2.850 1.00 2.54 O ATOM 638 NE2 GLN A 40 19.147 3.019 4.376 1.00 2.43 N ATOM 0 H GLN A 40 16.997 0.397 7.963 1.00 0.42 H new ATOM 0 HA GLN A 40 15.470 0.710 5.620 1.00 0.43 H new ATOM 0 HB2 GLN A 40 17.730 1.737 6.158 1.00 0.53 H new ATOM 0 HB3 GLN A 40 18.474 0.182 5.839 1.00 0.53 H new ATOM 0 HG2 GLN A 40 17.592 0.195 3.516 1.00 1.38 H new ATOM 0 HG3 GLN A 40 16.731 1.690 3.823 1.00 1.38 H new ATOM 0 HE21 GLN A 40 18.521 3.342 5.114 1.00 2.43 H new ATOM 0 HE22 GLN A 40 19.982 3.557 4.144 1.00 2.43 H new ATOM 647 N SER A 41 16.735 -2.273 5.965 1.00 0.31 N ATOM 648 CA SER A 41 16.727 -3.638 5.365 1.00 0.28 C ATOM 649 C SER A 41 15.287 -4.131 5.220 1.00 0.24 C ATOM 650 O SER A 41 14.892 -4.627 4.183 1.00 0.25 O ATOM 651 CB SER A 41 17.500 -4.594 6.273 1.00 0.29 C ATOM 652 OG SER A 41 16.650 -5.028 7.325 1.00 1.32 O ATOM 0 H SER A 41 17.122 -2.216 6.907 1.00 0.31 H new ATOM 0 HA SER A 41 17.197 -3.603 4.382 1.00 0.28 H new ATOM 0 HB2 SER A 41 17.856 -5.450 5.700 1.00 0.29 H new ATOM 0 HB3 SER A 41 18.379 -4.096 6.682 1.00 0.29 H new ATOM 0 HG SER A 41 16.850 -4.519 8.138 1.00 1.32 H new ATOM 658 N ARG A 42 14.497 -4.003 6.251 1.00 0.22 N ATOM 659 CA ARG A 42 13.085 -4.468 6.168 1.00 0.21 C ATOM 660 C ARG A 42 12.292 -3.526 5.262 1.00 0.20 C ATOM 661 O ARG A 42 11.405 -3.940 4.541 1.00 0.20 O ATOM 662 CB ARG A 42 12.462 -4.469 7.567 1.00 0.24 C ATOM 663 CG ARG A 42 13.079 -5.590 8.405 1.00 0.52 C ATOM 664 CD ARG A 42 12.521 -5.529 9.829 1.00 0.82 C ATOM 665 NE ARG A 42 11.033 -5.620 9.785 1.00 1.50 N ATOM 666 CZ ARG A 42 10.361 -5.885 10.873 1.00 1.92 C ATOM 667 NH1 ARG A 42 10.991 -6.072 12.001 1.00 1.83 N ATOM 668 NH2 ARG A 42 9.059 -5.962 10.833 1.00 2.91 N ATOM 0 H ARG A 42 14.769 -3.597 7.146 1.00 0.22 H new ATOM 0 HA ARG A 42 13.060 -5.478 5.758 1.00 0.21 H new ATOM 0 HB2 ARG A 42 12.629 -3.506 8.051 1.00 0.24 H new ATOM 0 HB3 ARG A 42 11.383 -4.607 7.495 1.00 0.24 H new ATOM 0 HG2 ARG A 42 12.856 -6.558 7.957 1.00 0.52 H new ATOM 0 HG3 ARG A 42 14.164 -5.490 8.424 1.00 0.52 H new ATOM 0 HD2 ARG A 42 12.928 -6.345 10.426 1.00 0.82 H new ATOM 0 HD3 ARG A 42 12.825 -4.600 10.310 1.00 0.82 H new ATOM 0 HE ARG A 42 10.540 -5.475 8.904 1.00 1.50 H new ATOM 0 HH11 ARG A 42 12.009 -6.011 12.033 1.00 1.83 H new ATOM 0 HH12 ARG A 42 10.466 -6.279 12.850 1.00 1.83 H new ATOM 0 HH21 ARG A 42 8.566 -5.815 9.952 1.00 2.91 H new ATOM 0 HH22 ARG A 42 8.534 -6.169 11.683 1.00 2.91 H new ATOM 682 N PHE A 43 12.595 -2.259 5.304 1.00 0.22 N ATOM 683 CA PHE A 43 11.850 -1.285 4.460 1.00 0.24 C ATOM 684 C PHE A 43 11.888 -1.733 2.993 1.00 0.23 C ATOM 685 O PHE A 43 10.868 -1.808 2.335 1.00 0.23 O ATOM 686 CB PHE A 43 12.490 0.112 4.614 1.00 0.28 C ATOM 687 CG PHE A 43 11.410 1.175 4.702 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.490 1.320 3.657 1.00 1.18 C ATOM 689 CD2 PHE A 43 11.325 2.007 5.828 1.00 1.40 C ATOM 690 CE1 PHE A 43 9.488 2.295 3.735 1.00 1.22 C ATOM 691 CE2 PHE A 43 10.322 2.980 5.905 1.00 1.48 C ATOM 692 CZ PHE A 43 9.404 3.124 4.859 1.00 0.70 C ATOM 0 H PHE A 43 13.328 -1.855 5.888 1.00 0.22 H new ATOM 0 HA PHE A 43 10.809 -1.239 4.781 1.00 0.24 H new ATOM 0 HB2 PHE A 43 13.111 0.139 5.509 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.144 0.316 3.766 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.553 0.679 2.790 1.00 1.18 H new ATOM 0 HD2 PHE A 43 12.034 1.897 6.636 1.00 1.40 H new ATOM 0 HE1 PHE A 43 8.780 2.407 2.927 1.00 1.22 H new ATOM 0 HE2 PHE A 43 10.257 3.620 6.772 1.00 1.48 H new ATOM 0 HZ PHE A 43 8.630 3.875 4.919 1.00 0.70 H new ATOM 702 N ASN A 44 13.048 -2.024 2.466 1.00 0.24 N ATOM 703 CA ASN A 44 13.129 -2.454 1.041 1.00 0.24 C ATOM 704 C ASN A 44 12.473 -3.826 0.875 1.00 0.22 C ATOM 705 O ASN A 44 11.763 -4.071 -0.079 1.00 0.23 O ATOM 706 CB ASN A 44 14.599 -2.541 0.622 1.00 0.25 C ATOM 707 CG ASN A 44 15.250 -1.162 0.744 1.00 0.95 C ATOM 708 OD1 ASN A 44 15.878 -0.689 -0.182 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.128 -0.493 1.858 1.00 1.67 N ATOM 0 H ASN A 44 13.940 -1.982 2.960 1.00 0.24 H new ATOM 0 HA ASN A 44 12.609 -1.729 0.415 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.125 -3.259 1.251 1.00 0.25 H new ATOM 0 HB3 ASN A 44 14.674 -2.900 -0.404 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.560 0.426 1.951 1.00 1.67 H new ATOM 0 HD22 ASN A 44 14.601 -0.890 2.636 1.00 1.67 H new ATOM 716 N TYR A 45 12.706 -4.724 1.792 1.00 0.21 N ATOM 717 CA TYR A 45 12.094 -6.078 1.676 1.00 0.20 C ATOM 718 C TYR A 45 10.582 -5.934 1.498 1.00 0.21 C ATOM 719 O TYR A 45 9.956 -6.681 0.770 1.00 0.22 O ATOM 720 CB TYR A 45 12.395 -6.880 2.945 1.00 0.20 C ATOM 721 CG TYR A 45 11.710 -8.229 2.876 1.00 0.21 C ATOM 722 CD1 TYR A 45 12.063 -9.142 1.872 1.00 1.12 C ATOM 723 CD2 TYR A 45 10.726 -8.572 3.816 1.00 1.33 C ATOM 724 CE1 TYR A 45 11.434 -10.391 1.808 1.00 1.05 C ATOM 725 CE2 TYR A 45 10.099 -9.822 3.750 1.00 1.43 C ATOM 726 CZ TYR A 45 10.453 -10.731 2.746 1.00 0.43 C ATOM 727 OH TYR A 45 9.834 -11.963 2.682 1.00 0.57 O ATOM 0 H TYR A 45 13.292 -4.580 2.614 1.00 0.21 H new ATOM 0 HA TYR A 45 12.510 -6.600 0.814 1.00 0.20 H new ATOM 0 HB2 TYR A 45 13.471 -7.014 3.054 1.00 0.20 H new ATOM 0 HB3 TYR A 45 12.051 -6.332 3.822 1.00 0.20 H new ATOM 0 HD1 TYR A 45 12.821 -8.881 1.148 1.00 1.12 H new ATOM 0 HD2 TYR A 45 10.452 -7.871 4.591 1.00 1.33 H new ATOM 0 HE1 TYR A 45 11.706 -11.093 1.034 1.00 1.05 H new ATOM 0 HE2 TYR A 45 9.342 -10.085 4.474 1.00 1.43 H new ATOM 0 HH TYR A 45 9.179 -12.038 3.407 1.00 0.57 H new ATOM 737 N ALA A 46 9.990 -4.971 2.150 1.00 0.22 N ATOM 738 CA ALA A 46 8.521 -4.773 2.012 1.00 0.24 C ATOM 739 C ALA A 46 8.212 -4.229 0.616 1.00 0.25 C ATOM 740 O ALA A 46 7.163 -4.481 0.062 1.00 0.28 O ATOM 741 CB ALA A 46 8.040 -3.773 3.066 1.00 0.26 C ATOM 0 H ALA A 46 10.461 -4.313 2.772 1.00 0.22 H new ATOM 0 HA ALA A 46 8.010 -5.725 2.155 1.00 0.24 H new ATOM 0 HB1 ALA A 46 6.964 -3.628 2.965 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.263 -4.158 4.061 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.550 -2.820 2.923 1.00 0.26 H new ATOM 747 N TRP A 47 9.114 -3.477 0.046 1.00 0.26 N ATOM 748 CA TRP A 47 8.862 -2.912 -1.310 1.00 0.29 C ATOM 749 C TRP A 47 8.745 -4.042 -2.335 1.00 0.29 C ATOM 750 O TRP A 47 7.825 -4.076 -3.127 1.00 0.29 O ATOM 751 CB TRP A 47 10.017 -1.985 -1.697 1.00 0.33 C ATOM 752 CG TRP A 47 9.775 -1.422 -3.061 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.544 -1.664 -4.147 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.711 -0.529 -3.503 1.00 0.35 C ATOM 755 NE1 TRP A 47 10.021 -0.977 -5.228 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.891 -0.263 -4.882 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.618 0.071 -2.850 1.00 0.36 C ATOM 758 CZ2 TRP A 47 8.018 0.566 -5.587 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.738 0.906 -3.557 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.938 1.153 -4.923 1.00 0.44 C ATOM 0 H TRP A 47 10.013 -3.230 0.460 1.00 0.26 H new ATOM 0 HA TRP A 47 7.929 -2.348 -1.296 1.00 0.29 H new ATOM 0 HB2 TRP A 47 10.107 -1.178 -0.970 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.958 -2.535 -1.681 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.423 -2.291 -4.167 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.421 -0.996 -6.166 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.455 -0.112 -1.798 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.176 0.753 -6.639 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.902 1.361 -3.046 1.00 0.42 H new ATOM 0 HH2 TRP A 47 6.258 1.796 -5.461 1.00 0.44 H new ATOM 771 N GLY A 48 9.673 -4.962 -2.343 1.00 0.29 N ATOM 772 CA GLY A 48 9.603 -6.072 -3.335 1.00 0.30 C ATOM 773 C GLY A 48 8.274 -6.807 -3.182 1.00 0.27 C ATOM 774 O GLY A 48 7.637 -7.171 -4.151 1.00 0.29 O ATOM 0 H GLY A 48 10.472 -4.992 -1.709 1.00 0.29 H new ATOM 0 HA2 GLY A 48 9.698 -5.677 -4.346 1.00 0.30 H new ATOM 0 HA3 GLY A 48 10.433 -6.763 -3.183 1.00 0.30 H new ATOM 778 N LEU A 49 7.850 -7.027 -1.970 1.00 0.25 N ATOM 779 CA LEU A 49 6.561 -7.736 -1.749 1.00 0.24 C ATOM 780 C LEU A 49 5.407 -6.879 -2.277 1.00 0.24 C ATOM 781 O LEU A 49 4.372 -7.388 -2.661 1.00 0.29 O ATOM 782 CB LEU A 49 6.377 -7.991 -0.249 1.00 0.23 C ATOM 783 CG LEU A 49 7.477 -8.937 0.259 1.00 0.23 C ATOM 784 CD1 LEU A 49 7.462 -8.961 1.794 1.00 0.24 C ATOM 785 CD2 LEU A 49 7.249 -10.364 -0.281 1.00 0.26 C ATOM 0 H LEU A 49 8.342 -6.746 -1.122 1.00 0.25 H new ATOM 0 HA LEU A 49 6.569 -8.688 -2.280 1.00 0.24 H new ATOM 0 HB2 LEU A 49 6.415 -7.048 0.297 1.00 0.23 H new ATOM 0 HB3 LEU A 49 5.396 -8.427 -0.063 1.00 0.23 H new ATOM 0 HG LEU A 49 8.443 -8.577 -0.094 1.00 0.23 H new ATOM 0 HD11 LEU A 49 8.242 -9.632 2.155 1.00 0.24 H new ATOM 0 HD12 LEU A 49 7.643 -7.956 2.175 1.00 0.24 H new ATOM 0 HD13 LEU A 49 6.491 -9.312 2.143 1.00 0.24 H new ATOM 0 HD21 LEU A 49 8.036 -11.022 0.087 1.00 0.26 H new ATOM 0 HD22 LEU A 49 6.280 -10.731 0.058 1.00 0.26 H new ATOM 0 HD23 LEU A 49 7.270 -10.348 -1.371 1.00 0.26 H new ATOM 797 N ILE A 50 5.573 -5.584 -2.302 1.00 0.24 N ATOM 798 CA ILE A 50 4.480 -4.705 -2.810 1.00 0.26 C ATOM 799 C ILE A 50 4.412 -4.807 -4.336 1.00 0.27 C ATOM 800 O ILE A 50 3.349 -4.740 -4.922 1.00 0.29 O ATOM 801 CB ILE A 50 4.753 -3.251 -2.392 1.00 0.28 C ATOM 802 CG1 ILE A 50 4.604 -3.112 -0.857 1.00 0.32 C ATOM 803 CG2 ILE A 50 3.777 -2.307 -3.112 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.148 -2.817 -0.468 1.00 0.73 C ATOM 0 H ILE A 50 6.415 -5.098 -1.994 1.00 0.24 H new ATOM 0 HA ILE A 50 3.527 -5.024 -2.387 1.00 0.26 H new ATOM 0 HB ILE A 50 5.771 -2.980 -2.673 1.00 0.28 H new ATOM 0 HG12 ILE A 50 4.935 -4.030 -0.372 1.00 0.32 H new ATOM 0 HG13 ILE A 50 5.249 -2.311 -0.497 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.977 -1.279 -2.811 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.908 -2.401 -4.190 1.00 0.32 H new ATOM 0 HG23 ILE A 50 2.753 -2.571 -2.847 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.072 -2.724 0.615 1.00 0.73 H new ATOM 0 HD12 ILE A 50 2.828 -1.885 -0.935 1.00 0.73 H new ATOM 0 HD13 ILE A 50 2.508 -3.632 -0.808 1.00 0.73 H new ATOM 816 N LYS A 51 5.530 -4.969 -4.993 1.00 0.28 N ATOM 817 CA LYS A 51 5.516 -5.077 -6.482 1.00 0.31 C ATOM 818 C LYS A 51 4.970 -6.447 -6.888 1.00 0.31 C ATOM 819 O LYS A 51 4.722 -6.708 -8.048 1.00 0.36 O ATOM 820 CB LYS A 51 6.953 -4.932 -7.003 1.00 0.37 C ATOM 821 CG LYS A 51 7.533 -3.557 -6.595 1.00 0.72 C ATOM 822 CD LYS A 51 7.246 -2.503 -7.688 1.00 0.79 C ATOM 823 CE LYS A 51 8.394 -2.470 -8.707 1.00 0.87 C ATOM 824 NZ LYS A 51 8.876 -3.856 -8.966 1.00 1.58 N ATOM 0 H LYS A 51 6.453 -5.031 -4.563 1.00 0.28 H new ATOM 0 HA LYS A 51 4.885 -4.295 -6.903 1.00 0.31 H new ATOM 0 HB2 LYS A 51 7.576 -5.731 -6.601 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.966 -5.033 -8.088 1.00 0.37 H new ATOM 0 HG2 LYS A 51 7.095 -3.237 -5.649 1.00 0.72 H new ATOM 0 HG3 LYS A 51 8.608 -3.642 -6.436 1.00 0.72 H new ATOM 0 HD2 LYS A 51 6.309 -2.738 -8.193 1.00 0.79 H new ATOM 0 HD3 LYS A 51 7.126 -1.520 -7.233 1.00 0.79 H new ATOM 0 HE2 LYS A 51 8.055 -2.013 -9.637 1.00 0.87 H new ATOM 0 HE3 LYS A 51 9.211 -1.855 -8.329 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 9.676 -3.827 -9.630 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 9.184 -4.289 -8.072 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 8.105 -4.421 -9.377 1.00 1.58 H new ATOM 838 N SER A 52 4.787 -7.324 -5.940 1.00 0.32 N ATOM 839 CA SER A 52 4.263 -8.680 -6.268 1.00 0.34 C ATOM 840 C SER A 52 2.831 -8.568 -6.801 1.00 0.35 C ATOM 841 O SER A 52 2.120 -7.627 -6.511 1.00 0.36 O ATOM 842 CB SER A 52 4.273 -9.545 -5.009 1.00 0.36 C ATOM 843 OG SER A 52 3.758 -10.833 -5.318 1.00 1.14 O ATOM 0 H SER A 52 4.978 -7.160 -4.951 1.00 0.32 H new ATOM 0 HA SER A 52 4.894 -9.136 -7.031 1.00 0.34 H new ATOM 0 HB2 SER A 52 5.288 -9.630 -4.621 1.00 0.36 H new ATOM 0 HB3 SER A 52 3.672 -9.078 -4.229 1.00 0.36 H new ATOM 0 HG SER A 52 3.765 -11.390 -4.512 1.00 1.14 H new ATOM 849 N THR A 53 2.411 -9.523 -7.588 1.00 0.38 N ATOM 850 CA THR A 53 1.030 -9.481 -8.157 1.00 0.41 C ATOM 851 C THR A 53 0.034 -10.112 -7.179 1.00 0.40 C ATOM 852 O THR A 53 -1.104 -9.694 -7.087 1.00 0.52 O ATOM 853 CB THR A 53 1.002 -10.255 -9.477 1.00 0.46 C ATOM 854 OG1 THR A 53 1.517 -11.562 -9.269 1.00 0.51 O ATOM 855 CG2 THR A 53 1.855 -9.526 -10.517 1.00 0.49 C ATOM 0 H THR A 53 2.966 -10.333 -7.863 1.00 0.38 H new ATOM 0 HA THR A 53 0.749 -8.442 -8.329 1.00 0.41 H new ATOM 0 HB THR A 53 -0.025 -10.323 -9.837 1.00 0.46 H new ATOM 0 HG1 THR A 53 1.498 -12.059 -10.113 1.00 0.51 H new ATOM 0 HG21 THR A 53 1.834 -10.078 -11.456 1.00 0.49 H new ATOM 0 HG22 THR A 53 1.457 -8.524 -10.676 1.00 0.49 H new ATOM 0 HG23 THR A 53 2.883 -9.456 -10.160 1.00 0.49 H new ATOM 863 N ASP A 54 0.444 -11.112 -6.445 1.00 0.39 N ATOM 864 CA ASP A 54 -0.492 -11.758 -5.478 1.00 0.38 C ATOM 865 C ASP A 54 -0.722 -10.821 -4.286 1.00 0.37 C ATOM 866 O ASP A 54 0.124 -10.034 -3.919 1.00 0.36 O ATOM 867 CB ASP A 54 0.086 -13.094 -5.003 1.00 0.38 C ATOM 868 CG ASP A 54 -1.003 -13.923 -4.317 1.00 1.31 C ATOM 869 OD1 ASP A 54 -1.846 -13.335 -3.662 1.00 1.86 O ATOM 870 OD2 ASP A 54 -0.971 -15.135 -4.457 1.00 2.18 O ATOM 0 H ASP A 54 1.383 -11.509 -6.473 1.00 0.39 H new ATOM 0 HA ASP A 54 -1.446 -11.949 -5.969 1.00 0.38 H new ATOM 0 HB2 ASP A 54 0.494 -13.645 -5.851 1.00 0.38 H new ATOM 0 HB3 ASP A 54 0.910 -12.918 -4.311 1.00 0.38 H new ATOM 875 N VAL A 55 -1.881 -10.921 -3.686 1.00 0.37 N ATOM 876 CA VAL A 55 -2.224 -10.063 -2.515 1.00 0.37 C ATOM 877 C VAL A 55 -1.589 -10.627 -1.240 1.00 0.35 C ATOM 878 O VAL A 55 -1.437 -9.938 -0.251 1.00 0.35 O ATOM 879 CB VAL A 55 -3.748 -10.020 -2.360 1.00 0.39 C ATOM 880 CG1 VAL A 55 -4.267 -11.377 -1.872 1.00 0.42 C ATOM 881 CG2 VAL A 55 -4.129 -8.933 -1.354 1.00 0.40 C ATOM 0 H VAL A 55 -2.615 -11.572 -3.964 1.00 0.37 H new ATOM 0 HA VAL A 55 -1.839 -9.056 -2.678 1.00 0.37 H new ATOM 0 HB VAL A 55 -4.198 -9.796 -3.327 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -5.351 -11.335 -1.765 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -4.003 -12.149 -2.595 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -3.817 -11.614 -0.908 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -5.213 -8.903 -1.244 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -3.672 -9.154 -0.389 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -3.773 -7.966 -1.711 1.00 0.40 H new ATOM 891 N ASN A 56 -1.202 -11.869 -1.266 1.00 0.34 N ATOM 892 CA ASN A 56 -0.564 -12.478 -0.063 1.00 0.34 C ATOM 893 C ASN A 56 0.690 -11.679 0.302 1.00 0.31 C ATOM 894 O ASN A 56 0.904 -11.316 1.444 1.00 0.31 O ATOM 895 CB ASN A 56 -0.174 -13.924 -0.374 1.00 0.36 C ATOM 896 CG ASN A 56 -1.426 -14.716 -0.753 1.00 1.34 C ATOM 897 OD1 ASN A 56 -2.508 -14.424 -0.285 1.00 2.14 O ATOM 898 ND2 ASN A 56 -1.325 -15.713 -1.589 1.00 2.11 N ATOM 0 H ASN A 56 -1.299 -12.492 -2.068 1.00 0.34 H new ATOM 0 HA ASN A 56 -1.264 -12.462 0.772 1.00 0.34 H new ATOM 0 HB2 ASN A 56 0.548 -13.950 -1.190 1.00 0.36 H new ATOM 0 HB3 ASN A 56 0.308 -14.377 0.492 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -2.155 -16.247 -1.849 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -0.417 -15.959 -1.982 1.00 2.11 H new ATOM 905 N ASP A 57 1.518 -11.405 -0.665 1.00 0.30 N ATOM 906 CA ASP A 57 2.761 -10.634 -0.397 1.00 0.30 C ATOM 907 C ASP A 57 2.404 -9.186 -0.041 1.00 0.29 C ATOM 908 O ASP A 57 3.127 -8.517 0.671 1.00 0.28 O ATOM 909 CB ASP A 57 3.633 -10.660 -1.657 1.00 0.33 C ATOM 910 CG ASP A 57 4.341 -12.014 -1.765 1.00 0.42 C ATOM 911 OD1 ASP A 57 3.714 -13.014 -1.457 1.00 1.23 O ATOM 912 OD2 ASP A 57 5.497 -12.026 -2.154 1.00 1.09 O ATOM 0 H ASP A 57 1.386 -11.684 -1.637 1.00 0.30 H new ATOM 0 HA ASP A 57 3.303 -11.078 0.438 1.00 0.30 H new ATOM 0 HB2 ASP A 57 3.018 -10.488 -2.540 1.00 0.33 H new ATOM 0 HB3 ASP A 57 4.368 -9.856 -1.619 1.00 0.33 H new ATOM 917 N GLU A 58 1.297 -8.697 -0.529 1.00 0.33 N ATOM 918 CA GLU A 58 0.901 -7.293 -0.217 1.00 0.36 C ATOM 919 C GLU A 58 0.487 -7.188 1.252 1.00 0.34 C ATOM 920 O GLU A 58 0.736 -6.195 1.907 1.00 0.34 O ATOM 921 CB GLU A 58 -0.277 -6.884 -1.104 1.00 0.42 C ATOM 922 CG GLU A 58 0.110 -7.046 -2.574 1.00 0.92 C ATOM 923 CD GLU A 58 1.182 -6.018 -2.936 1.00 1.66 C ATOM 924 OE1 GLU A 58 1.146 -4.933 -2.380 1.00 2.45 O ATOM 925 OE2 GLU A 58 2.022 -6.335 -3.763 1.00 2.21 O ATOM 0 H GLU A 58 0.650 -9.208 -1.130 1.00 0.33 H new ATOM 0 HA GLU A 58 1.747 -6.632 -0.404 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -1.148 -7.499 -0.876 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -0.556 -5.850 -0.902 1.00 0.42 H new ATOM 0 HG2 GLU A 58 0.483 -8.054 -2.754 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -0.766 -6.912 -3.208 1.00 0.92 H new ATOM 932 N ARG A 59 -0.145 -8.202 1.775 1.00 0.33 N ATOM 933 CA ARG A 59 -0.575 -8.157 3.200 1.00 0.34 C ATOM 934 C ARG A 59 0.650 -8.263 4.109 1.00 0.30 C ATOM 935 O ARG A 59 0.651 -7.780 5.224 1.00 0.31 O ATOM 936 CB ARG A 59 -1.522 -9.326 3.487 1.00 0.40 C ATOM 937 CG ARG A 59 -2.833 -9.127 2.722 1.00 0.68 C ATOM 938 CD ARG A 59 -3.660 -10.414 2.781 1.00 0.95 C ATOM 939 NE ARG A 59 -5.007 -10.169 2.192 1.00 1.62 N ATOM 940 CZ ARG A 59 -5.769 -11.176 1.862 1.00 2.13 C ATOM 941 NH1 ARG A 59 -5.350 -12.399 2.042 1.00 2.23 N ATOM 942 NH2 ARG A 59 -6.951 -10.961 1.351 1.00 3.12 N ATOM 0 H ARG A 59 -0.382 -9.060 1.277 1.00 0.33 H new ATOM 0 HA ARG A 59 -1.090 -7.215 3.391 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -1.056 -10.266 3.191 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -1.720 -9.392 4.557 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -3.397 -8.300 3.154 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -2.625 -8.863 1.685 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -3.153 -11.210 2.236 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -3.759 -10.748 3.814 1.00 0.95 H new ATOM 0 HE ARG A 59 -5.334 -9.214 2.047 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -4.427 -12.568 2.441 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -5.946 -13.185 1.784 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -7.279 -10.006 1.209 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -7.546 -11.748 1.093 1.00 3.12 H new ATOM 956 N LEU A 60 1.698 -8.885 3.641 1.00 0.28 N ATOM 957 CA LEU A 60 2.922 -9.014 4.482 1.00 0.27 C ATOM 958 C LEU A 60 3.675 -7.680 4.487 1.00 0.25 C ATOM 959 O LEU A 60 4.131 -7.218 5.514 1.00 0.26 O ATOM 960 CB LEU A 60 3.819 -10.117 3.904 1.00 0.29 C ATOM 961 CG LEU A 60 5.146 -10.199 4.675 1.00 0.30 C ATOM 962 CD1 LEU A 60 4.881 -10.388 6.176 1.00 0.32 C ATOM 963 CD2 LEU A 60 5.955 -11.388 4.144 1.00 0.34 C ATOM 0 H LEU A 60 1.760 -9.308 2.715 1.00 0.28 H new ATOM 0 HA LEU A 60 2.644 -9.274 5.503 1.00 0.27 H new ATOM 0 HB2 LEU A 60 3.303 -11.076 3.955 1.00 0.29 H new ATOM 0 HB3 LEU A 60 4.017 -9.917 2.851 1.00 0.29 H new ATOM 0 HG LEU A 60 5.703 -9.273 4.533 1.00 0.30 H new ATOM 0 HD11 LEU A 60 5.830 -10.444 6.709 1.00 0.32 H new ATOM 0 HD12 LEU A 60 4.303 -9.544 6.553 1.00 0.32 H new ATOM 0 HD13 LEU A 60 4.321 -11.310 6.333 1.00 0.32 H new ATOM 0 HD21 LEU A 60 6.899 -11.456 4.684 1.00 0.34 H new ATOM 0 HD22 LEU A 60 5.388 -12.307 4.288 1.00 0.34 H new ATOM 0 HD23 LEU A 60 6.154 -11.247 3.082 1.00 0.34 H new ATOM 975 N GLY A 61 3.810 -7.059 3.347 1.00 0.22 N ATOM 976 CA GLY A 61 4.535 -5.757 3.286 1.00 0.21 C ATOM 977 C GLY A 61 3.760 -4.696 4.071 1.00 0.20 C ATOM 978 O GLY A 61 4.332 -3.911 4.801 1.00 0.21 O ATOM 0 H GLY A 61 3.450 -7.397 2.455 1.00 0.22 H new ATOM 0 HA2 GLY A 61 5.537 -5.869 3.699 1.00 0.21 H new ATOM 0 HA3 GLY A 61 4.651 -5.443 2.249 1.00 0.21 H new ATOM 982 N VAL A 62 2.464 -4.662 3.924 1.00 0.20 N ATOM 983 CA VAL A 62 1.658 -3.648 4.661 1.00 0.21 C ATOM 984 C VAL A 62 1.927 -3.788 6.165 1.00 0.22 C ATOM 985 O VAL A 62 2.053 -2.809 6.875 1.00 0.25 O ATOM 986 CB VAL A 62 0.159 -3.870 4.348 1.00 0.23 C ATOM 987 CG1 VAL A 62 -0.720 -3.443 5.537 1.00 0.28 C ATOM 988 CG2 VAL A 62 -0.232 -3.050 3.110 1.00 0.31 C ATOM 0 H VAL A 62 1.929 -5.292 3.326 1.00 0.20 H new ATOM 0 HA VAL A 62 1.936 -2.641 4.349 1.00 0.21 H new ATOM 0 HB VAL A 62 -0.000 -4.932 4.160 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -1.769 -3.609 5.292 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -0.455 -4.032 6.415 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.559 -2.386 5.747 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -1.288 -3.206 2.889 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -0.054 -1.992 3.303 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.368 -3.369 2.258 1.00 0.31 H new ATOM 998 N LYS A 63 2.005 -4.991 6.655 1.00 0.24 N ATOM 999 CA LYS A 63 2.253 -5.186 8.110 1.00 0.28 C ATOM 1000 C LYS A 63 3.669 -4.721 8.461 1.00 0.26 C ATOM 1001 O LYS A 63 3.913 -4.206 9.534 1.00 0.29 O ATOM 1002 CB LYS A 63 2.086 -6.665 8.452 1.00 0.33 C ATOM 1003 CG LYS A 63 2.161 -6.853 9.970 1.00 0.47 C ATOM 1004 CD LYS A 63 2.016 -8.341 10.320 1.00 0.58 C ATOM 1005 CE LYS A 63 0.584 -8.822 10.040 1.00 1.60 C ATOM 1006 NZ LYS A 63 0.309 -10.045 10.846 1.00 2.36 N ATOM 0 H LYS A 63 1.908 -5.849 6.112 1.00 0.24 H new ATOM 0 HA LYS A 63 1.539 -4.598 8.687 1.00 0.28 H new ATOM 0 HB2 LYS A 63 1.130 -7.030 8.077 1.00 0.33 H new ATOM 0 HB3 LYS A 63 2.864 -7.252 7.964 1.00 0.33 H new ATOM 0 HG2 LYS A 63 3.111 -6.473 10.346 1.00 0.47 H new ATOM 0 HG3 LYS A 63 1.373 -6.278 10.456 1.00 0.47 H new ATOM 0 HD2 LYS A 63 2.724 -8.929 9.736 1.00 0.58 H new ATOM 0 HD3 LYS A 63 2.260 -8.499 11.370 1.00 0.58 H new ATOM 0 HE2 LYS A 63 -0.131 -8.038 10.291 1.00 1.60 H new ATOM 0 HE3 LYS A 63 0.461 -9.037 8.978 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 -0.660 -10.373 10.659 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 0.984 -10.792 10.585 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 0.410 -9.824 11.857 1.00 2.36 H new ATOM 1020 N ILE A 64 4.605 -4.886 7.565 1.00 0.25 N ATOM 1021 CA ILE A 64 5.997 -4.440 7.854 1.00 0.25 C ATOM 1022 C ILE A 64 6.030 -2.907 7.870 1.00 0.22 C ATOM 1023 O ILE A 64 6.559 -2.296 8.778 1.00 0.22 O ATOM 1024 CB ILE A 64 6.942 -4.984 6.766 1.00 0.28 C ATOM 1025 CG1 ILE A 64 7.232 -6.464 7.041 1.00 0.33 C ATOM 1026 CG2 ILE A 64 8.264 -4.203 6.762 1.00 0.32 C ATOM 1027 CD1 ILE A 64 7.871 -7.103 5.806 1.00 0.35 C ATOM 0 H ILE A 64 4.466 -5.309 6.648 1.00 0.25 H new ATOM 0 HA ILE A 64 6.323 -4.818 8.823 1.00 0.25 H new ATOM 0 HB ILE A 64 6.462 -4.870 5.794 1.00 0.28 H new ATOM 0 HG12 ILE A 64 7.898 -6.561 7.898 1.00 0.33 H new ATOM 0 HG13 ILE A 64 6.308 -6.984 7.295 1.00 0.33 H new ATOM 0 HG21 ILE A 64 8.919 -4.601 5.987 1.00 0.32 H new ATOM 0 HG22 ILE A 64 8.064 -3.150 6.563 1.00 0.32 H new ATOM 0 HG23 ILE A 64 8.748 -4.303 7.733 1.00 0.32 H new ATOM 0 HD11 ILE A 64 8.076 -8.155 6.005 1.00 0.35 H new ATOM 0 HD12 ILE A 64 7.189 -7.020 4.960 1.00 0.35 H new ATOM 0 HD13 ILE A 64 8.804 -6.590 5.572 1.00 0.35 H new ATOM 1039 N LEU A 65 5.469 -2.285 6.872 1.00 0.20 N ATOM 1040 CA LEU A 65 5.464 -0.796 6.825 1.00 0.19 C ATOM 1041 C LEU A 65 4.832 -0.239 8.101 1.00 0.19 C ATOM 1042 O LEU A 65 5.215 0.808 8.587 1.00 0.20 O ATOM 1043 CB LEU A 65 4.650 -0.323 5.616 1.00 0.22 C ATOM 1044 CG LEU A 65 5.334 -0.759 4.311 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.349 -0.604 3.149 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.581 0.104 4.044 1.00 0.42 C ATOM 0 H LEU A 65 5.012 -2.744 6.084 1.00 0.20 H new ATOM 0 HA LEU A 65 6.491 -0.440 6.741 1.00 0.19 H new ATOM 0 HB2 LEU A 65 3.643 -0.737 5.663 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.550 0.762 5.638 1.00 0.22 H new ATOM 0 HG LEU A 65 5.641 -1.801 4.402 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.830 -0.912 2.221 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.473 -1.228 3.329 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.041 0.439 3.069 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.054 -0.217 3.116 1.00 0.42 H new ATOM 0 HD22 LEU A 65 6.288 1.150 3.958 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.285 -0.009 4.868 1.00 0.42 H new ATOM 1058 N THR A 66 3.886 -0.937 8.670 1.00 0.21 N ATOM 1059 CA THR A 66 3.253 -0.452 9.926 1.00 0.25 C ATOM 1060 C THR A 66 4.146 -0.822 11.116 1.00 0.28 C ATOM 1061 O THR A 66 4.150 -0.156 12.132 1.00 0.31 O ATOM 1062 CB THR A 66 1.867 -1.107 10.072 1.00 0.29 C ATOM 1063 OG1 THR A 66 1.338 -1.369 8.780 1.00 0.43 O ATOM 1064 CG2 THR A 66 0.921 -0.170 10.824 1.00 0.36 C ATOM 0 H THR A 66 3.525 -1.823 8.317 1.00 0.21 H new ATOM 0 HA THR A 66 3.135 0.631 9.897 1.00 0.25 H new ATOM 0 HB THR A 66 1.966 -2.038 10.631 1.00 0.29 H new ATOM 0 HG1 THR A 66 1.670 -2.234 8.460 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.057 -0.642 10.922 1.00 0.36 H new ATOM 0 HG22 THR A 66 1.325 0.037 11.815 1.00 0.36 H new ATOM 0 HG23 THR A 66 0.819 0.764 10.272 1.00 0.36 H new ATOM 1072 N ASP A 67 4.921 -1.866 10.986 1.00 0.29 N ATOM 1073 CA ASP A 67 5.829 -2.254 12.101 1.00 0.34 C ATOM 1074 C ASP A 67 6.971 -1.245 12.153 1.00 0.32 C ATOM 1075 O ASP A 67 7.302 -0.716 13.194 1.00 0.35 O ATOM 1076 CB ASP A 67 6.395 -3.653 11.846 1.00 0.40 C ATOM 1077 CG ASP A 67 5.257 -4.674 11.847 1.00 1.30 C ATOM 1078 OD1 ASP A 67 4.354 -4.526 12.655 1.00 1.94 O ATOM 1079 OD2 ASP A 67 5.307 -5.588 11.041 1.00 2.12 O ATOM 0 H ASP A 67 4.964 -2.463 10.160 1.00 0.29 H new ATOM 0 HA ASP A 67 5.284 -2.263 13.045 1.00 0.34 H new ATOM 0 HB2 ASP A 67 6.917 -3.676 10.890 1.00 0.40 H new ATOM 0 HB3 ASP A 67 7.125 -3.907 12.614 1.00 0.40 H new ATOM 1084 N ILE A 68 7.559 -0.961 11.024 1.00 0.30 N ATOM 1085 CA ILE A 68 8.670 0.028 10.971 1.00 0.29 C ATOM 1086 C ILE A 68 8.151 1.390 11.442 1.00 0.27 C ATOM 1087 O ILE A 68 8.885 2.208 11.958 1.00 0.31 O ATOM 1088 CB ILE A 68 9.175 0.135 9.531 1.00 0.30 C ATOM 1089 CG1 ILE A 68 9.732 -1.229 9.089 1.00 0.34 C ATOM 1090 CG2 ILE A 68 10.278 1.197 9.463 1.00 0.33 C ATOM 1091 CD1 ILE A 68 9.830 -1.289 7.563 1.00 0.35 C ATOM 0 H ILE A 68 7.313 -1.377 10.126 1.00 0.30 H new ATOM 0 HA ILE A 68 9.487 -0.291 11.618 1.00 0.29 H new ATOM 0 HB ILE A 68 8.358 0.422 8.869 1.00 0.30 H new ATOM 0 HG12 ILE A 68 10.716 -1.389 9.531 1.00 0.34 H new ATOM 0 HG13 ILE A 68 9.086 -2.029 9.451 1.00 0.34 H new ATOM 0 HG21 ILE A 68 10.642 1.278 8.439 1.00 0.33 H new ATOM 0 HG22 ILE A 68 9.877 2.159 9.783 1.00 0.33 H new ATOM 0 HG23 ILE A 68 11.100 0.910 10.119 1.00 0.33 H new ATOM 0 HD11 ILE A 68 10.225 -2.259 7.262 1.00 0.35 H new ATOM 0 HD12 ILE A 68 8.840 -1.150 7.129 1.00 0.35 H new ATOM 0 HD13 ILE A 68 10.495 -0.501 7.210 1.00 0.35 H new ATOM 1103 N TYR A 69 6.878 1.618 11.274 1.00 0.26 N ATOM 1104 CA TYR A 69 6.281 2.910 11.713 1.00 0.26 C ATOM 1105 C TYR A 69 6.207 2.956 13.248 1.00 0.28 C ATOM 1106 O TYR A 69 6.449 3.977 13.860 1.00 0.34 O ATOM 1107 CB TYR A 69 4.872 3.045 11.125 1.00 0.29 C ATOM 1108 CG TYR A 69 4.179 4.252 11.722 1.00 0.27 C ATOM 1109 CD1 TYR A 69 3.562 4.152 12.975 1.00 1.25 C ATOM 1110 CD2 TYR A 69 4.152 5.466 11.023 1.00 1.22 C ATOM 1111 CE1 TYR A 69 2.920 5.265 13.530 1.00 1.28 C ATOM 1112 CE2 TYR A 69 3.509 6.579 11.580 1.00 1.23 C ATOM 1113 CZ TYR A 69 2.893 6.478 12.833 1.00 0.38 C ATOM 1114 OH TYR A 69 2.260 7.575 13.381 1.00 0.47 O ATOM 0 H TYR A 69 6.223 0.962 10.849 1.00 0.26 H new ATOM 0 HA TYR A 69 6.903 3.733 11.362 1.00 0.26 H new ATOM 0 HB2 TYR A 69 4.929 3.146 10.041 1.00 0.29 H new ATOM 0 HB3 TYR A 69 4.294 2.144 11.331 1.00 0.29 H new ATOM 0 HD1 TYR A 69 3.582 3.216 13.513 1.00 1.25 H new ATOM 0 HD2 TYR A 69 4.626 5.544 10.056 1.00 1.22 H new ATOM 0 HE1 TYR A 69 2.445 5.188 14.497 1.00 1.28 H new ATOM 0 HE2 TYR A 69 3.489 7.515 11.042 1.00 1.23 H new ATOM 0 HH TYR A 69 2.335 8.336 12.768 1.00 0.47 H new ATOM 1124 N LYS A 70 5.850 1.864 13.868 1.00 0.31 N ATOM 1125 CA LYS A 70 5.728 1.847 15.357 1.00 0.38 C ATOM 1126 C LYS A 70 7.102 1.817 16.039 1.00 0.38 C ATOM 1127 O LYS A 70 7.263 2.332 17.128 1.00 0.45 O ATOM 1128 CB LYS A 70 4.936 0.608 15.781 1.00 0.50 C ATOM 1129 CG LYS A 70 3.507 0.709 15.247 1.00 0.79 C ATOM 1130 CD LYS A 70 2.775 -0.612 15.493 1.00 0.88 C ATOM 1131 CE LYS A 70 1.303 -0.460 15.107 1.00 1.50 C ATOM 1132 NZ LYS A 70 0.646 -1.798 15.120 1.00 2.26 N ATOM 0 H LYS A 70 5.637 0.979 13.407 1.00 0.31 H new ATOM 0 HA LYS A 70 5.215 2.759 15.664 1.00 0.38 H new ATOM 0 HB2 LYS A 70 5.416 -0.292 15.398 1.00 0.50 H new ATOM 0 HB3 LYS A 70 4.924 0.525 16.868 1.00 0.50 H new ATOM 0 HG2 LYS A 70 2.980 1.526 15.740 1.00 0.79 H new ATOM 0 HG3 LYS A 70 3.521 0.936 14.181 1.00 0.79 H new ATOM 0 HD2 LYS A 70 3.235 -1.409 14.908 1.00 0.88 H new ATOM 0 HD3 LYS A 70 2.859 -0.897 16.542 1.00 0.88 H new ATOM 0 HE2 LYS A 70 0.800 0.211 15.804 1.00 1.50 H new ATOM 0 HE3 LYS A 70 1.220 -0.012 14.117 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -0.355 -1.696 14.858 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 1.120 -2.424 14.439 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 0.714 -2.209 16.073 1.00 2.26 H new ATOM 1146 N GLU A 71 8.091 1.209 15.429 1.00 0.40 N ATOM 1147 CA GLU A 71 9.447 1.135 16.071 1.00 0.52 C ATOM 1148 C GLU A 71 10.398 2.138 15.417 1.00 0.55 C ATOM 1149 O GLU A 71 11.547 1.833 15.169 1.00 1.13 O ATOM 1150 CB GLU A 71 10.008 -0.277 15.867 1.00 0.63 C ATOM 1151 CG GLU A 71 10.192 -0.556 14.369 1.00 0.99 C ATOM 1152 CD GLU A 71 10.057 -2.058 14.095 1.00 1.55 C ATOM 1153 OE1 GLU A 71 8.939 -2.505 13.894 1.00 2.27 O ATOM 1154 OE2 GLU A 71 11.072 -2.735 14.096 1.00 2.13 O ATOM 0 H GLU A 71 8.021 0.761 14.516 1.00 0.40 H new ATOM 0 HA GLU A 71 9.356 1.367 17.132 1.00 0.52 H new ATOM 0 HB2 GLU A 71 10.962 -0.376 16.384 1.00 0.63 H new ATOM 0 HB3 GLU A 71 9.332 -1.013 16.302 1.00 0.63 H new ATOM 0 HG2 GLU A 71 9.448 -0.005 13.794 1.00 0.99 H new ATOM 0 HG3 GLU A 71 11.171 -0.205 14.043 1.00 0.99 H new ATOM 1161 N ALA A 72 9.946 3.334 15.162 1.00 0.59 N ATOM 1162 CA ALA A 72 10.868 4.337 14.539 1.00 0.57 C ATOM 1163 C ALA A 72 10.251 5.739 14.489 1.00 0.65 C ATOM 1164 O ALA A 72 9.640 6.111 13.510 1.00 1.23 O ATOM 1165 CB ALA A 72 11.192 3.901 13.108 1.00 0.60 C ATOM 0 H ALA A 72 8.998 3.661 15.352 1.00 0.59 H new ATOM 0 HA ALA A 72 11.767 4.381 15.154 1.00 0.57 H new ATOM 0 HB1 ALA A 72 11.863 4.627 12.649 1.00 0.60 H new ATOM 0 HB2 ALA A 72 11.673 2.923 13.126 1.00 0.60 H new ATOM 0 HB3 ALA A 72 10.271 3.841 12.528 1.00 0.60 H new ATOM 1171 N GLU A 73 10.400 6.527 15.525 1.00 0.71 N ATOM 1172 CA GLU A 73 9.817 7.897 15.496 1.00 0.77 C ATOM 1173 C GLU A 73 10.640 8.769 14.533 1.00 0.65 C ATOM 1174 O GLU A 73 11.170 9.793 14.917 1.00 1.06 O ATOM 1175 CB GLU A 73 9.871 8.499 16.903 1.00 1.08 C ATOM 1176 CG GLU A 73 8.948 7.706 17.832 1.00 1.79 C ATOM 1177 CD GLU A 73 9.150 8.171 19.276 1.00 2.15 C ATOM 1178 OE1 GLU A 73 10.002 7.609 19.944 1.00 2.62 O ATOM 1179 OE2 GLU A 73 8.449 9.080 19.688 1.00 2.60 O ATOM 0 H GLU A 73 10.896 6.281 16.381 1.00 0.71 H new ATOM 0 HA GLU A 73 8.781 7.854 15.160 1.00 0.77 H new ATOM 0 HB2 GLU A 73 10.893 8.476 17.281 1.00 1.08 H new ATOM 0 HB3 GLU A 73 9.565 9.545 16.875 1.00 1.08 H new ATOM 0 HG2 GLU A 73 7.909 7.847 17.536 1.00 1.79 H new ATOM 0 HG3 GLU A 73 9.161 6.640 17.749 1.00 1.79 H new ATOM 1186 N SER A 74 10.766 8.369 13.288 1.00 0.75 N ATOM 1187 CA SER A 74 11.569 9.181 12.321 1.00 0.62 C ATOM 1188 C SER A 74 11.191 8.816 10.880 1.00 0.55 C ATOM 1189 O SER A 74 10.427 9.513 10.240 1.00 0.63 O ATOM 1190 CB SER A 74 13.056 8.905 12.538 1.00 0.82 C ATOM 1191 OG SER A 74 13.807 9.564 11.527 1.00 1.55 O ATOM 0 H SER A 74 10.350 7.521 12.903 1.00 0.75 H new ATOM 0 HA SER A 74 11.360 10.238 12.487 1.00 0.62 H new ATOM 0 HB2 SER A 74 13.363 9.256 13.523 1.00 0.82 H new ATOM 0 HB3 SER A 74 13.247 7.832 12.508 1.00 0.82 H new ATOM 0 HG SER A 74 14.762 9.391 11.664 1.00 1.55 H new ATOM 1197 N ARG A 75 11.723 7.739 10.354 1.00 0.48 N ATOM 1198 CA ARG A 75 11.391 7.348 8.950 1.00 0.45 C ATOM 1199 C ARG A 75 9.880 7.110 8.790 1.00 0.42 C ATOM 1200 O ARG A 75 9.447 6.497 7.834 1.00 0.50 O ATOM 1201 CB ARG A 75 12.166 6.068 8.557 1.00 0.52 C ATOM 1202 CG ARG A 75 12.272 5.081 9.753 1.00 0.81 C ATOM 1203 CD ARG A 75 13.726 4.988 10.242 1.00 1.10 C ATOM 1204 NE ARG A 75 14.515 4.175 9.273 1.00 1.49 N ATOM 1205 CZ ARG A 75 15.819 4.165 9.334 1.00 2.08 C ATOM 1206 NH1 ARG A 75 16.435 4.864 10.247 1.00 2.63 N ATOM 1207 NH2 ARG A 75 16.506 3.453 8.483 1.00 2.72 N ATOM 0 H ARG A 75 12.371 7.116 10.836 1.00 0.48 H new ATOM 0 HA ARG A 75 11.685 8.165 8.291 1.00 0.45 H new ATOM 0 HB2 ARG A 75 11.664 5.578 7.722 1.00 0.52 H new ATOM 0 HB3 ARG A 75 13.165 6.336 8.215 1.00 0.52 H new ATOM 0 HG2 ARG A 75 11.628 5.415 10.567 1.00 0.81 H new ATOM 0 HG3 ARG A 75 11.919 4.095 9.452 1.00 0.81 H new ATOM 0 HD2 ARG A 75 14.156 5.985 10.334 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.762 4.533 11.232 1.00 1.10 H new ATOM 0 HE ARG A 75 14.035 3.625 8.561 1.00 1.49 H new ATOM 0 HH11 ARG A 75 15.898 5.419 10.914 1.00 2.63 H new ATOM 0 HH12 ARG A 75 17.454 4.856 10.294 1.00 2.63 H new ATOM 0 HH21 ARG A 75 16.024 2.905 7.771 1.00 2.72 H new ATOM 0 HH22 ARG A 75 17.525 3.445 8.530 1.00 2.72 H new ATOM 1221 N ARG A 76 9.069 7.590 9.697 1.00 0.41 N ATOM 1222 CA ARG A 76 7.601 7.383 9.556 1.00 0.47 C ATOM 1223 C ARG A 76 7.096 8.099 8.301 1.00 0.43 C ATOM 1224 O ARG A 76 6.202 7.628 7.627 1.00 0.45 O ATOM 1225 CB ARG A 76 6.879 7.955 10.778 1.00 0.57 C ATOM 1226 CG ARG A 76 7.425 7.298 12.050 1.00 1.08 C ATOM 1227 CD ARG A 76 6.558 7.670 13.263 1.00 1.14 C ATOM 1228 NE ARG A 76 6.696 6.614 14.305 1.00 1.76 N ATOM 1229 CZ ARG A 76 6.299 6.843 15.527 1.00 2.01 C ATOM 1230 NH1 ARG A 76 5.802 8.007 15.845 1.00 1.55 N ATOM 1231 NH2 ARG A 76 6.401 5.908 16.431 1.00 3.05 N ATOM 0 H ARG A 76 9.359 8.113 10.523 1.00 0.41 H new ATOM 0 HA ARG A 76 7.401 6.315 9.476 1.00 0.47 H new ATOM 0 HB2 ARG A 76 7.021 9.035 10.824 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.807 7.777 10.696 1.00 0.57 H new ATOM 0 HG2 ARG A 76 7.444 6.215 11.928 1.00 1.08 H new ATOM 0 HG3 ARG A 76 8.453 7.618 12.219 1.00 1.08 H new ATOM 0 HD2 ARG A 76 6.867 8.636 13.663 1.00 1.14 H new ATOM 0 HD3 ARG A 76 5.515 7.768 12.963 1.00 1.14 H new ATOM 0 HE ARG A 76 7.102 5.710 14.063 1.00 1.76 H new ATOM 0 HH11 ARG A 76 5.724 8.738 15.138 1.00 1.55 H new ATOM 0 HH12 ARG A 76 5.492 8.185 16.800 1.00 1.55 H new ATOM 0 HH21 ARG A 76 6.791 4.999 16.183 1.00 3.05 H new ATOM 0 HH22 ARG A 76 6.091 6.086 17.386 1.00 3.05 H new ATOM 1245 N ARG A 77 7.650 9.241 7.984 1.00 0.40 N ATOM 1246 CA ARG A 77 7.179 9.979 6.779 1.00 0.43 C ATOM 1247 C ARG A 77 7.216 9.054 5.563 1.00 0.39 C ATOM 1248 O ARG A 77 6.300 9.032 4.765 1.00 0.39 O ATOM 1249 CB ARG A 77 8.058 11.212 6.533 1.00 0.48 C ATOM 1250 CG ARG A 77 9.541 10.817 6.497 1.00 1.10 C ATOM 1251 CD ARG A 77 10.425 12.079 6.564 1.00 1.24 C ATOM 1252 NE ARG A 77 11.601 11.922 5.651 1.00 1.80 N ATOM 1253 CZ ARG A 77 12.315 10.827 5.651 1.00 2.30 C ATOM 1254 NH1 ARG A 77 12.110 9.904 6.549 1.00 2.43 N ATOM 1255 NH2 ARG A 77 13.270 10.677 4.775 1.00 3.22 N ATOM 0 H ARG A 77 8.403 9.690 8.505 1.00 0.40 H new ATOM 0 HA ARG A 77 6.154 10.312 6.944 1.00 0.43 H new ATOM 0 HB2 ARG A 77 7.778 11.683 5.591 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.891 11.948 7.319 1.00 0.48 H new ATOM 0 HG2 ARG A 77 9.771 10.157 7.334 1.00 1.10 H new ATOM 0 HG3 ARG A 77 9.756 10.261 5.585 1.00 1.10 H new ATOM 0 HD2 ARG A 77 9.845 12.956 6.278 1.00 1.24 H new ATOM 0 HD3 ARG A 77 10.766 12.242 7.586 1.00 1.24 H new ATOM 0 HE ARG A 77 11.849 12.682 5.018 1.00 1.80 H new ATOM 0 HH11 ARG A 77 11.388 10.034 7.258 1.00 2.43 H new ATOM 0 HH12 ARG A 77 12.671 9.052 6.542 1.00 2.43 H new ATOM 0 HH21 ARG A 77 13.457 11.413 4.094 1.00 3.22 H new ATOM 0 HH22 ARG A 77 13.830 9.824 4.772 1.00 3.22 H new ATOM 1269 N GLU A 78 8.259 8.288 5.409 1.00 0.36 N ATOM 1270 CA GLU A 78 8.335 7.368 4.242 1.00 0.36 C ATOM 1271 C GLU A 78 7.238 6.308 4.367 1.00 0.30 C ATOM 1272 O GLU A 78 6.686 5.851 3.387 1.00 0.32 O ATOM 1273 CB GLU A 78 9.708 6.691 4.227 1.00 0.40 C ATOM 1274 CG GLU A 78 9.920 5.977 2.891 1.00 0.91 C ATOM 1275 CD GLU A 78 11.317 5.354 2.864 1.00 1.56 C ATOM 1276 OE1 GLU A 78 12.209 5.922 3.474 1.00 2.33 O ATOM 1277 OE2 GLU A 78 11.472 4.321 2.236 1.00 2.13 O ATOM 0 H GLU A 78 9.060 8.259 6.039 1.00 0.36 H new ATOM 0 HA GLU A 78 8.195 7.926 3.316 1.00 0.36 H new ATOM 0 HB2 GLU A 78 10.491 7.433 4.381 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.780 5.976 5.047 1.00 0.40 H new ATOM 0 HG2 GLU A 78 9.163 5.205 2.755 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.808 6.682 2.067 1.00 0.91 H new ATOM 1284 N CYS A 79 6.926 5.911 5.570 1.00 0.27 N ATOM 1285 CA CYS A 79 5.872 4.875 5.768 1.00 0.25 C ATOM 1286 C CYS A 79 4.502 5.428 5.359 1.00 0.23 C ATOM 1287 O CYS A 79 3.731 4.762 4.698 1.00 0.24 O ATOM 1288 CB CYS A 79 5.836 4.464 7.241 1.00 0.29 C ATOM 1289 SG CYS A 79 7.478 3.892 7.747 1.00 1.19 S ATOM 0 H CYS A 79 7.356 6.260 6.426 1.00 0.27 H new ATOM 0 HA CYS A 79 6.104 4.009 5.148 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.527 5.308 7.858 1.00 0.29 H new ATOM 0 HB3 CYS A 79 5.101 3.673 7.391 1.00 0.29 H new ATOM 0 HG CYS A 79 8.184 3.613 6.692 1.00 1.19 H new ATOM 1295 N LEU A 80 4.187 6.635 5.747 1.00 0.23 N ATOM 1296 CA LEU A 80 2.859 7.208 5.376 1.00 0.23 C ATOM 1297 C LEU A 80 2.678 7.137 3.856 1.00 0.21 C ATOM 1298 O LEU A 80 1.630 6.768 3.365 1.00 0.21 O ATOM 1299 CB LEU A 80 2.774 8.671 5.835 1.00 0.26 C ATOM 1300 CG LEU A 80 3.026 8.772 7.351 1.00 0.27 C ATOM 1301 CD1 LEU A 80 3.213 10.241 7.746 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.829 8.207 8.125 1.00 0.42 C ATOM 0 H LEU A 80 4.787 7.246 6.301 1.00 0.23 H new ATOM 0 HA LEU A 80 2.072 6.634 5.865 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.508 9.271 5.297 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.792 9.078 5.595 1.00 0.26 H new ATOM 0 HG LEU A 80 3.922 8.200 7.593 1.00 0.27 H new ATOM 0 HD11 LEU A 80 3.391 10.309 8.819 1.00 0.34 H new ATOM 0 HD12 LEU A 80 4.066 10.656 7.209 1.00 0.34 H new ATOM 0 HD13 LEU A 80 2.315 10.804 7.491 1.00 0.34 H new ATOM 0 HD21 LEU A 80 2.019 8.284 9.196 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.933 8.774 7.874 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.683 7.161 7.857 1.00 0.42 H new ATOM 1314 N TYR A 81 3.687 7.489 3.108 1.00 0.22 N ATOM 1315 CA TYR A 81 3.567 7.442 1.621 1.00 0.23 C ATOM 1316 C TYR A 81 3.467 5.985 1.155 1.00 0.22 C ATOM 1317 O TYR A 81 2.599 5.629 0.384 1.00 0.22 O ATOM 1318 CB TYR A 81 4.802 8.098 0.996 1.00 0.26 C ATOM 1319 CG TYR A 81 4.628 8.195 -0.503 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.909 9.261 -1.058 1.00 1.05 C ATOM 1321 CD2 TYR A 81 5.191 7.221 -1.337 1.00 1.26 C ATOM 1322 CE1 TYR A 81 3.752 9.352 -2.447 1.00 1.04 C ATOM 1323 CE2 TYR A 81 5.034 7.313 -2.726 1.00 1.31 C ATOM 1324 CZ TYR A 81 4.315 8.379 -3.280 1.00 0.46 C ATOM 1325 OH TYR A 81 4.161 8.469 -4.649 1.00 0.55 O ATOM 0 H TYR A 81 4.590 7.807 3.461 1.00 0.22 H new ATOM 0 HA TYR A 81 2.670 7.978 1.311 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.951 9.092 1.419 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.693 7.515 1.231 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.476 10.013 -0.415 1.00 1.05 H new ATOM 0 HD2 TYR A 81 5.746 6.399 -0.909 1.00 1.26 H new ATOM 0 HE1 TYR A 81 3.196 10.173 -2.875 1.00 1.04 H new ATOM 0 HE2 TYR A 81 5.468 6.562 -3.369 1.00 1.31 H new ATOM 0 HH TYR A 81 4.614 7.714 -5.079 1.00 0.55 H new ATOM 1335 N TYR A 82 4.353 5.143 1.613 1.00 0.23 N ATOM 1336 CA TYR A 82 4.316 3.709 1.192 1.00 0.23 C ATOM 1337 C TYR A 82 3.037 3.032 1.709 1.00 0.22 C ATOM 1338 O TYR A 82 2.513 2.135 1.079 1.00 0.24 O ATOM 1339 CB TYR A 82 5.548 2.983 1.761 1.00 0.25 C ATOM 1340 CG TYR A 82 6.755 3.216 0.870 1.00 0.25 C ATOM 1341 CD1 TYR A 82 7.206 4.519 0.627 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.426 2.126 0.293 1.00 1.13 C ATOM 1343 CE1 TYR A 82 8.324 4.734 -0.190 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.542 2.343 -0.524 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.991 3.646 -0.765 1.00 0.31 C ATOM 1346 OH TYR A 82 10.093 3.858 -1.569 1.00 0.36 O ATOM 0 H TYR A 82 5.103 5.384 2.261 1.00 0.23 H new ATOM 0 HA TYR A 82 4.324 3.657 0.103 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.757 3.342 2.769 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.345 1.915 1.839 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.692 5.359 1.070 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.081 1.120 0.479 1.00 1.13 H new ATOM 0 HE1 TYR A 82 8.671 5.740 -0.376 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.057 1.504 -0.969 1.00 1.12 H new ATOM 0 HH TYR A 82 10.437 2.997 -1.886 1.00 0.36 H new ATOM 1356 N LEU A 83 2.519 3.446 2.834 1.00 0.21 N ATOM 1357 CA LEU A 83 1.275 2.808 3.346 1.00 0.20 C ATOM 1358 C LEU A 83 0.128 3.159 2.406 1.00 0.20 C ATOM 1359 O LEU A 83 -0.724 2.339 2.123 1.00 0.25 O ATOM 1360 CB LEU A 83 0.973 3.320 4.765 1.00 0.20 C ATOM 1361 CG LEU A 83 1.793 2.525 5.805 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.978 3.365 7.071 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.062 1.225 6.176 1.00 0.25 C ATOM 0 H LEU A 83 2.900 4.192 3.416 1.00 0.21 H new ATOM 0 HA LEU A 83 1.399 1.726 3.388 1.00 0.20 H new ATOM 0 HB2 LEU A 83 1.213 4.381 4.836 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.092 3.220 4.977 1.00 0.20 H new ATOM 0 HG LEU A 83 2.764 2.286 5.372 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.557 2.800 7.801 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.506 4.285 6.823 1.00 0.24 H new ATOM 0 HD13 LEU A 83 1.002 3.609 7.492 1.00 0.24 H new ATOM 0 HD21 LEU A 83 1.650 0.674 6.910 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.086 1.464 6.599 1.00 0.25 H new ATOM 0 HD23 LEU A 83 0.931 0.614 5.283 1.00 0.25 H new ATOM 1375 N THR A 84 0.093 4.362 1.904 1.00 0.19 N ATOM 1376 CA THR A 84 -0.998 4.745 0.972 1.00 0.19 C ATOM 1377 C THR A 84 -0.970 3.818 -0.242 1.00 0.22 C ATOM 1378 O THR A 84 -1.992 3.350 -0.704 1.00 0.24 O ATOM 1379 CB THR A 84 -0.765 6.192 0.519 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.488 7.001 1.654 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.007 6.725 -0.191 1.00 0.18 C ATOM 0 H THR A 84 0.774 5.095 2.100 1.00 0.19 H new ATOM 0 HA THR A 84 -1.966 4.661 1.467 1.00 0.19 H new ATOM 0 HB THR A 84 0.079 6.219 -0.170 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.410 6.798 1.989 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.832 7.753 -0.509 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.221 6.107 -1.063 1.00 0.18 H new ATOM 0 HG23 THR A 84 -2.857 6.696 0.491 1.00 0.18 H new ATOM 1389 N ILE A 85 0.196 3.552 -0.764 1.00 0.23 N ATOM 1390 CA ILE A 85 0.294 2.659 -1.950 1.00 0.27 C ATOM 1391 C ILE A 85 -0.006 1.216 -1.536 1.00 0.29 C ATOM 1392 O ILE A 85 -0.844 0.549 -2.116 1.00 0.31 O ATOM 1393 CB ILE A 85 1.704 2.746 -2.541 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.933 4.178 -3.050 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.832 1.731 -3.689 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.313 4.302 -3.700 1.00 0.61 C ATOM 0 H ILE A 85 1.085 3.915 -0.419 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.431 2.973 -2.700 1.00 0.27 H new ATOM 0 HB ILE A 85 2.455 2.512 -1.786 1.00 0.29 H new ATOM 0 HG12 ILE A 85 1.160 4.442 -3.772 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.850 4.882 -2.222 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.834 1.788 -4.115 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.656 0.725 -3.307 1.00 0.32 H new ATOM 0 HG23 ILE A 85 1.097 1.960 -4.460 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.458 5.322 -4.055 1.00 0.61 H new ATOM 0 HD12 ILE A 85 4.083 4.060 -2.968 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.382 3.612 -4.541 1.00 0.61 H new ATOM 1408 N GLY A 86 0.665 0.735 -0.529 1.00 0.30 N ATOM 1409 CA GLY A 86 0.416 -0.659 -0.072 1.00 0.33 C ATOM 1410 C GLY A 86 -1.051 -0.807 0.330 1.00 0.33 C ATOM 1411 O GLY A 86 -1.627 -1.871 0.226 1.00 0.39 O ATOM 0 H GLY A 86 1.374 1.246 -0.003 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.659 -1.363 -0.868 1.00 0.33 H new ATOM 0 HA3 GLY A 86 1.062 -0.897 0.773 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.661 0.252 0.793 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.087 0.168 1.205 1.00 0.30 C ATOM 1417 C CYS A 87 -3.995 0.204 -0.031 1.00 0.35 C ATOM 1418 O CYS A 87 -5.005 -0.469 -0.087 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.412 1.349 2.120 1.00 0.29 C ATOM 1420 SG CYS A 87 -5.199 1.434 2.395 1.00 1.29 S ATOM 0 H CYS A 87 -1.231 1.170 0.903 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.257 -0.768 1.737 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -2.893 1.238 3.072 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -3.059 2.277 1.671 1.00 0.29 H new ATOM 0 HG CYS A 87 -5.769 2.001 1.373 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.654 0.992 -1.019 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.511 1.076 -2.237 1.00 0.40 C ATOM 1428 C TYR A 88 -4.697 -0.316 -2.852 1.00 0.43 C ATOM 1429 O TYR A 88 -5.689 -0.587 -3.499 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.849 1.999 -3.263 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.762 2.164 -4.457 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -5.853 3.040 -4.386 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -4.519 1.444 -5.633 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -6.699 3.195 -5.491 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -5.366 1.599 -6.738 1.00 1.28 C ATOM 1436 CZ TYR A 88 -6.456 2.475 -6.666 1.00 0.59 C ATOM 1437 OH TYR A 88 -7.291 2.628 -7.755 1.00 0.66 O ATOM 0 H TYR A 88 -2.820 1.579 -1.034 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.486 1.474 -1.956 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.642 2.970 -2.814 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.892 1.583 -3.578 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -6.041 3.596 -3.479 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -3.678 0.769 -5.688 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -7.540 3.871 -5.436 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -5.178 1.043 -7.645 1.00 1.28 H new ATOM 0 HH TYR A 88 -6.980 2.057 -8.488 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.751 -1.197 -2.665 1.00 0.43 N ATOM 1448 CA LYS A 89 -3.884 -2.565 -3.255 1.00 0.51 C ATOM 1449 C LYS A 89 -4.825 -3.421 -2.399 1.00 0.36 C ATOM 1450 O LYS A 89 -5.463 -4.332 -2.891 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.506 -3.225 -3.335 1.00 0.70 C ATOM 1452 CG LYS A 89 -1.598 -2.420 -4.288 1.00 1.00 C ATOM 1453 CD LYS A 89 -0.455 -3.312 -4.823 1.00 1.24 C ATOM 1454 CE LYS A 89 -0.856 -3.943 -6.164 1.00 1.56 C ATOM 1455 NZ LYS A 89 -2.212 -4.552 -6.046 1.00 2.05 N ATOM 0 H LYS A 89 -2.896 -1.032 -2.133 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.303 -2.481 -4.258 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.057 -3.273 -2.343 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.604 -4.251 -3.690 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -2.186 -2.033 -5.120 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -1.182 -1.560 -3.764 1.00 1.00 H new ATOM 0 HD2 LYS A 89 0.450 -2.718 -4.949 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -0.225 -4.094 -4.099 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -0.853 -3.186 -6.948 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -0.129 -4.703 -6.452 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -2.446 -5.052 -6.928 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -2.222 -5.225 -5.253 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -2.915 -3.805 -5.875 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.945 -3.118 -1.134 1.00 0.32 N ATOM 1470 CA LEU A 90 -5.876 -3.891 -0.251 1.00 0.47 C ATOM 1471 C LEU A 90 -7.150 -3.072 -0.093 1.00 0.56 C ATOM 1472 O LEU A 90 -7.932 -3.284 0.812 1.00 0.89 O ATOM 1473 CB LEU A 90 -5.247 -4.099 1.132 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.857 -4.730 0.999 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -3.307 -5.037 2.395 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -3.946 -6.030 0.188 1.00 0.56 C ATOM 0 H LEU A 90 -4.437 -2.365 -0.669 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.083 -4.866 -0.693 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.171 -3.144 1.651 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.888 -4.740 1.737 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.194 -4.034 0.485 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -2.318 -5.486 2.306 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -3.235 -4.113 2.969 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.976 -5.730 2.905 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -2.954 -6.472 0.098 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -4.610 -6.730 0.695 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.337 -5.813 -0.806 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.344 -2.116 -0.961 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.533 -1.223 -0.887 1.00 0.91 C ATOM 1490 C GLY A 91 -8.926 -0.899 0.551 1.00 0.69 C ATOM 1491 O GLY A 91 -10.046 -0.510 0.816 1.00 0.69 O ATOM 0 H GLY A 91 -6.712 -1.913 -1.736 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.322 -0.296 -1.421 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.374 -1.698 -1.393 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.006 -0.950 1.467 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.340 -0.524 2.852 1.00 0.42 C ATOM 1497 C GLU A 92 -8.235 1.002 2.826 1.00 0.34 C ATOM 1498 O GLU A 92 -7.605 1.614 3.665 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.317 -1.098 3.841 1.00 0.44 C ATOM 1500 CG GLU A 92 -7.591 -2.586 4.069 1.00 0.55 C ATOM 1501 CD GLU A 92 -6.537 -3.159 5.020 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -6.447 -2.671 6.135 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -5.839 -4.075 4.617 1.00 2.18 O ATOM 0 H GLU A 92 -7.047 -1.264 1.321 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.326 -0.870 3.164 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.307 -0.960 3.454 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.372 -0.560 4.787 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -8.588 -2.723 4.488 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -7.569 -3.121 3.119 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.783 1.605 1.794 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.651 3.079 1.615 1.00 0.31 C ATOM 1512 C TYR A 93 -8.868 3.836 2.926 1.00 0.25 C ATOM 1513 O TYR A 93 -8.520 4.997 3.024 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.624 3.608 0.552 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.732 2.650 -0.615 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.783 2.688 -1.645 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -10.799 1.744 -0.682 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -8.901 1.822 -2.740 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -10.914 0.875 -1.774 1.00 1.35 C ATOM 1520 CZ TYR A 93 -9.966 0.915 -2.804 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.083 0.061 -3.882 1.00 1.19 O ATOM 0 H TYR A 93 -9.318 1.131 1.067 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.629 3.255 1.278 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.608 3.756 0.997 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.285 4.581 0.197 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -7.960 3.385 -1.595 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -11.533 1.716 0.109 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -8.171 1.854 -3.535 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -11.734 0.174 -1.822 1.00 1.35 H new ATOM 0 HH TYR A 93 -10.877 -0.503 -3.768 1.00 1.19 H new ATOM 1531 N SER A 94 -9.400 3.228 3.947 1.00 0.24 N ATOM 1532 CA SER A 94 -9.574 3.983 5.219 1.00 0.28 C ATOM 1533 C SER A 94 -8.197 4.338 5.775 1.00 0.29 C ATOM 1534 O SER A 94 -7.995 5.397 6.333 1.00 0.39 O ATOM 1535 CB SER A 94 -10.336 3.120 6.225 1.00 0.30 C ATOM 1536 OG SER A 94 -10.194 3.676 7.526 1.00 1.12 O ATOM 0 H SER A 94 -9.717 2.259 3.959 1.00 0.24 H new ATOM 0 HA SER A 94 -10.140 4.896 5.036 1.00 0.28 H new ATOM 0 HB2 SER A 94 -11.390 3.069 5.952 1.00 0.30 H new ATOM 0 HB3 SER A 94 -9.953 2.100 6.210 1.00 0.30 H new ATOM 0 HG SER A 94 -10.683 3.125 8.172 1.00 1.12 H new ATOM 1542 N MET A 95 -7.246 3.462 5.614 1.00 0.27 N ATOM 1543 CA MET A 95 -5.875 3.748 6.118 1.00 0.36 C ATOM 1544 C MET A 95 -5.176 4.715 5.165 1.00 0.26 C ATOM 1545 O MET A 95 -4.558 5.674 5.585 1.00 0.26 O ATOM 1546 CB MET A 95 -5.076 2.434 6.198 1.00 0.48 C ATOM 1547 CG MET A 95 -5.363 1.698 7.523 1.00 0.81 C ATOM 1548 SD MET A 95 -6.678 0.483 7.285 1.00 1.25 S ATOM 1549 CE MET A 95 -6.804 0.009 9.024 1.00 0.83 C ATOM 0 H MET A 95 -7.359 2.559 5.154 1.00 0.27 H new ATOM 0 HA MET A 95 -5.935 4.197 7.110 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.337 1.792 5.356 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.010 2.646 6.118 1.00 0.48 H new ATOM 0 HG2 MET A 95 -4.459 1.202 7.876 1.00 0.81 H new ATOM 0 HG3 MET A 95 -5.654 2.415 8.291 1.00 0.81 H new ATOM 0 HE1 MET A 95 -7.574 -0.754 9.138 1.00 0.83 H new ATOM 0 HE2 MET A 95 -5.847 -0.388 9.363 1.00 0.83 H new ATOM 0 HE3 MET A 95 -7.067 0.882 9.621 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.272 4.482 3.887 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.614 5.401 2.925 1.00 0.20 C ATOM 1561 C ALA A 96 -5.102 6.827 3.198 1.00 0.18 C ATOM 1562 O ALA A 96 -4.330 7.765 3.243 1.00 0.19 O ATOM 1563 CB ALA A 96 -4.982 4.993 1.497 1.00 0.23 C ATOM 0 H ALA A 96 -5.775 3.699 3.470 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.531 5.352 3.040 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.499 5.668 0.790 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.646 3.973 1.312 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.063 5.048 1.370 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.388 6.993 3.366 1.00 0.19 N ATOM 1570 CA LYS A 97 -6.953 8.349 3.622 1.00 0.21 C ATOM 1571 C LYS A 97 -6.335 8.963 4.878 1.00 0.21 C ATOM 1572 O LYS A 97 -5.922 10.106 4.876 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.469 8.238 3.819 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.057 9.621 4.129 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.585 9.541 4.129 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.166 10.822 4.735 1.00 1.07 C ATOM 1577 NZ LYS A 97 -10.784 11.989 3.891 1.00 2.10 N ATOM 0 H LYS A 97 -7.076 6.240 3.336 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.727 8.986 2.767 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -8.932 7.829 2.921 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -8.689 7.548 4.634 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.701 9.970 5.098 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.721 10.345 3.387 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -10.952 9.409 3.111 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -10.914 8.674 4.702 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -12.251 10.746 4.800 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.795 10.957 5.751 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -11.313 12.829 4.201 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -9.764 12.167 3.986 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -11.009 11.786 2.896 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.303 8.254 5.970 1.00 0.22 N ATOM 1592 CA ARG A 98 -5.747 8.844 7.225 1.00 0.25 C ATOM 1593 C ARG A 98 -4.258 9.177 7.081 1.00 0.20 C ATOM 1594 O ARG A 98 -3.822 10.252 7.443 1.00 0.21 O ATOM 1595 CB ARG A 98 -5.917 7.830 8.365 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.406 7.523 8.570 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.570 6.237 9.391 1.00 1.28 C ATOM 1598 NE ARG A 98 -8.980 6.140 9.865 1.00 1.90 N ATOM 1599 CZ ARG A 98 -9.441 5.011 10.331 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -8.667 3.962 10.390 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -10.678 4.933 10.737 1.00 3.20 N ATOM 0 H ARG A 98 -6.636 7.293 6.051 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.286 9.768 7.436 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -5.376 6.913 8.132 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.488 8.228 9.285 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -7.890 8.355 9.082 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -7.899 7.413 7.604 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -7.316 5.368 8.784 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -6.887 6.243 10.240 1.00 1.28 H new ATOM 0 HE ARG A 98 -9.587 6.959 9.825 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -7.700 4.023 10.072 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -9.029 3.081 10.754 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -11.283 5.753 10.690 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -11.041 4.052 11.101 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.467 8.261 6.599 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.005 8.534 6.487 1.00 0.22 C ATOM 1617 C TYR A 99 -1.718 9.569 5.388 1.00 0.19 C ATOM 1618 O TYR A 99 -0.923 10.468 5.573 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.261 7.225 6.181 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.457 6.219 7.311 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.130 6.557 8.638 1.00 1.32 C ATOM 1622 CD2 TYR A 99 -1.959 4.936 7.031 1.00 1.17 C ATOM 1623 CE1 TYR A 99 -1.304 5.625 9.665 1.00 1.34 C ATOM 1624 CE2 TYR A 99 -2.132 4.007 8.067 1.00 1.18 C ATOM 1625 CZ TYR A 99 -1.804 4.352 9.381 1.00 0.40 C ATOM 1626 OH TYR A 99 -1.973 3.435 10.398 1.00 0.47 O ATOM 0 H TYR A 99 -3.765 7.340 6.279 1.00 0.21 H new ATOM 0 HA TYR A 99 -1.656 8.942 7.435 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -1.626 6.804 5.244 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.198 7.427 6.047 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -0.743 7.540 8.863 1.00 1.32 H new ATOM 0 HD2 TYR A 99 -2.212 4.665 6.016 1.00 1.17 H new ATOM 0 HE1 TYR A 99 -1.051 5.890 10.681 1.00 1.34 H new ATOM 0 HE2 TYR A 99 -2.520 3.023 7.849 1.00 1.18 H new ATOM 0 HH TYR A 99 -2.331 2.600 10.030 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.336 9.448 4.247 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.062 10.427 3.153 1.00 0.19 C ATOM 1638 C VAL A 100 -2.483 11.832 3.601 1.00 0.21 C ATOM 1639 O VAL A 100 -1.842 12.813 3.283 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.820 10.015 1.878 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.300 10.393 1.983 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.203 10.719 0.665 1.00 0.20 C ATOM 0 H VAL A 100 -3.015 8.720 4.023 1.00 0.18 H new ATOM 0 HA VAL A 100 -0.995 10.435 2.932 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.741 8.934 1.761 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.818 10.093 1.072 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.746 9.884 2.838 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.392 11.471 2.114 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.740 10.427 -0.237 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.274 11.799 0.796 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.155 10.433 0.572 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.555 11.934 4.337 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.014 13.273 4.805 1.00 0.27 C ATOM 1654 C ASP A 101 -2.930 13.910 5.679 1.00 0.26 C ATOM 1655 O ASP A 101 -2.580 15.061 5.511 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.296 13.111 5.624 1.00 0.30 C ATOM 1657 CG ASP A 101 -5.777 14.483 6.099 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -5.531 15.451 5.398 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -6.384 14.543 7.156 1.00 1.79 O ATOM 0 H ASP A 101 -4.133 11.148 4.635 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.207 13.912 3.944 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.067 12.633 5.020 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.113 12.462 6.480 1.00 0.30 H new ATOM 1664 N THR A 102 -2.404 13.170 6.615 1.00 0.25 N ATOM 1665 CA THR A 102 -1.350 13.728 7.510 1.00 0.26 C ATOM 1666 C THR A 102 -0.136 14.173 6.687 1.00 0.26 C ATOM 1667 O THR A 102 0.372 15.263 6.858 1.00 0.27 O ATOM 1668 CB THR A 102 -0.920 12.650 8.511 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.023 12.312 9.340 1.00 0.32 O ATOM 1670 CG2 THR A 102 0.228 13.173 9.377 1.00 0.29 C ATOM 0 H THR A 102 -2.659 12.200 6.800 1.00 0.25 H new ATOM 0 HA THR A 102 -1.751 14.591 8.041 1.00 0.26 H new ATOM 0 HB THR A 102 -0.584 11.767 7.968 1.00 0.27 H new ATOM 0 HG1 THR A 102 -2.619 11.700 8.859 1.00 0.32 H new ATOM 0 HG21 THR A 102 0.529 12.402 10.086 1.00 0.29 H new ATOM 0 HG22 THR A 102 1.075 13.432 8.741 1.00 0.29 H new ATOM 0 HG23 THR A 102 -0.101 14.058 9.921 1.00 0.29 H new ATOM 1678 N LEU A 103 0.338 13.339 5.803 1.00 0.25 N ATOM 1679 CA LEU A 103 1.526 13.719 4.983 1.00 0.27 C ATOM 1680 C LEU A 103 1.195 14.934 4.113 1.00 0.29 C ATOM 1681 O LEU A 103 1.997 15.835 3.964 1.00 0.31 O ATOM 1682 CB LEU A 103 1.925 12.539 4.087 1.00 0.29 C ATOM 1683 CG LEU A 103 3.308 12.792 3.451 1.00 0.34 C ATOM 1684 CD1 LEU A 103 4.430 12.462 4.448 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.467 11.902 2.213 1.00 0.41 C ATOM 0 H LEU A 103 -0.044 12.413 5.612 1.00 0.25 H new ATOM 0 HA LEU A 103 2.353 13.972 5.646 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.950 11.621 4.673 1.00 0.29 H new ATOM 0 HB3 LEU A 103 1.178 12.398 3.306 1.00 0.29 H new ATOM 0 HG LEU A 103 3.376 13.844 3.173 1.00 0.34 H new ATOM 0 HD11 LEU A 103 5.398 12.647 3.981 1.00 0.36 H new ATOM 0 HD12 LEU A 103 4.328 13.091 5.332 1.00 0.36 H new ATOM 0 HD13 LEU A 103 4.362 11.414 4.739 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.443 12.078 1.761 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.386 10.855 2.505 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.685 12.139 1.492 1.00 0.41 H new ATOM 1697 N PHE A 104 0.029 14.968 3.528 1.00 0.29 N ATOM 1698 CA PHE A 104 -0.330 16.127 2.663 1.00 0.32 C ATOM 1699 C PHE A 104 -0.523 17.377 3.525 1.00 0.37 C ATOM 1700 O PHE A 104 -0.289 18.486 3.086 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.626 15.821 1.907 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.034 17.028 1.095 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.421 17.281 -0.138 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.023 17.897 1.574 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -1.795 18.400 -0.891 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.397 19.017 0.821 1.00 1.19 C ATOM 1707 CZ PHE A 104 -2.783 19.268 -0.412 1.00 0.60 C ATOM 0 H PHE A 104 -0.688 14.247 3.611 1.00 0.29 H new ATOM 0 HA PHE A 104 0.474 16.304 1.949 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.483 14.961 1.253 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.416 15.559 2.610 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -0.659 16.612 -0.509 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.497 17.703 2.525 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -1.321 18.594 -1.842 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.159 19.687 1.191 1.00 1.19 H new ATOM 0 HZ PHE A 104 -3.072 20.131 -0.993 1.00 0.60 H new ATOM 1717 N GLU A 105 -0.952 17.213 4.746 1.00 0.42 N ATOM 1718 CA GLU A 105 -1.161 18.398 5.624 1.00 0.52 C ATOM 1719 C GLU A 105 0.179 19.103 5.852 1.00 0.56 C ATOM 1720 O GLU A 105 0.247 20.310 5.864 1.00 0.61 O ATOM 1721 CB GLU A 105 -1.738 17.931 6.966 1.00 0.58 C ATOM 1722 CG GLU A 105 -2.242 19.132 7.775 1.00 1.20 C ATOM 1723 CD GLU A 105 -1.052 19.920 8.328 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -0.274 19.340 9.067 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -0.942 21.091 8.005 1.00 2.31 O ATOM 0 H GLU A 105 -1.166 16.312 5.173 1.00 0.42 H new ATOM 0 HA GLU A 105 -1.855 19.093 5.152 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.555 17.231 6.794 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -0.975 17.397 7.532 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -2.855 19.776 7.144 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -2.876 18.791 8.593 1.00 1.20 H new ATOM 1838 N GLN A 112 2.594 14.397 -6.999 1.00 0.54 N ATOM 1839 CA GLN A 112 2.375 12.923 -6.971 1.00 0.49 C ATOM 1840 C GLN A 112 1.521 12.573 -5.754 1.00 0.39 C ATOM 1841 O GLN A 112 0.763 11.624 -5.761 1.00 0.37 O ATOM 1842 CB GLN A 112 3.726 12.207 -6.874 1.00 0.54 C ATOM 1843 CG GLN A 112 4.476 12.350 -8.201 1.00 1.05 C ATOM 1844 CD GLN A 112 5.928 11.904 -8.021 1.00 1.82 C ATOM 1845 OE1 GLN A 112 6.243 11.174 -7.102 1.00 2.54 O ATOM 1846 NE2 GLN A 112 6.834 12.316 -8.866 1.00 2.56 N ATOM 0 HA GLN A 112 1.867 12.606 -7.882 1.00 0.49 H new ATOM 0 HB2 GLN A 112 4.317 12.631 -6.062 1.00 0.54 H new ATOM 0 HB3 GLN A 112 3.575 11.153 -6.641 1.00 0.54 H new ATOM 0 HG2 GLN A 112 3.993 11.747 -8.970 1.00 1.05 H new ATOM 0 HG3 GLN A 112 4.442 13.386 -8.539 1.00 1.05 H new ATOM 0 HE21 GLN A 112 6.571 12.929 -9.638 1.00 2.56 H new ATOM 0 HE22 GLN A 112 7.805 12.025 -8.754 1.00 2.56 H new ATOM 1855 N VAL A 113 1.628 13.353 -4.716 1.00 0.37 N ATOM 1856 CA VAL A 113 0.813 13.097 -3.497 1.00 0.32 C ATOM 1857 C VAL A 113 -0.610 13.571 -3.772 1.00 0.32 C ATOM 1858 O VAL A 113 -1.573 12.879 -3.508 1.00 0.30 O ATOM 1859 CB VAL A 113 1.397 13.874 -2.314 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.506 13.682 -1.084 1.00 0.41 C ATOM 1861 CG2 VAL A 113 2.804 13.354 -2.009 1.00 0.40 C ATOM 0 H VAL A 113 2.248 14.161 -4.659 1.00 0.37 H new ATOM 0 HA VAL A 113 0.818 12.034 -3.254 1.00 0.32 H new ATOM 0 HB VAL A 113 1.445 14.934 -2.565 1.00 0.35 H new ATOM 0 HG11 VAL A 113 0.923 14.236 -0.243 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.497 14.051 -1.300 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.457 12.623 -0.832 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.221 13.906 -1.167 1.00 0.40 H new ATOM 0 HG22 VAL A 113 2.754 12.294 -1.759 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.440 13.491 -2.884 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.745 14.749 -4.317 1.00 0.37 N ATOM 1872 CA GLY A 114 -2.102 15.272 -4.628 1.00 0.40 C ATOM 1873 C GLY A 114 -2.803 14.284 -5.558 1.00 0.38 C ATOM 1874 O GLY A 114 -3.997 14.077 -5.484 1.00 0.38 O ATOM 0 H GLY A 114 0.027 15.370 -4.560 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.677 15.402 -3.711 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -2.031 16.252 -5.101 1.00 0.40 H new ATOM 1878 N ALA A 115 -2.058 13.670 -6.432 1.00 0.38 N ATOM 1879 CA ALA A 115 -2.654 12.683 -7.373 1.00 0.38 C ATOM 1880 C ALA A 115 -2.874 11.347 -6.651 1.00 0.33 C ATOM 1881 O ALA A 115 -3.893 10.700 -6.818 1.00 0.34 O ATOM 1882 CB ALA A 115 -1.704 12.488 -8.557 1.00 0.43 C ATOM 0 H ALA A 115 -1.053 13.811 -6.536 1.00 0.38 H new ATOM 0 HA ALA A 115 -3.615 13.050 -7.733 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -2.132 11.766 -9.252 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -1.558 13.440 -9.067 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -0.744 12.119 -8.196 1.00 0.43 H new ATOM 1888 N LEU A 116 -1.940 10.918 -5.851 1.00 0.31 N ATOM 1889 CA LEU A 116 -2.132 9.622 -5.146 1.00 0.29 C ATOM 1890 C LEU A 116 -3.380 9.712 -4.261 1.00 0.26 C ATOM 1891 O LEU A 116 -4.223 8.835 -4.271 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.895 9.311 -4.295 1.00 0.32 C ATOM 1893 CG LEU A 116 -1.017 7.916 -3.661 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.115 6.831 -4.751 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.218 7.658 -2.790 1.00 0.68 C ATOM 0 H LEU A 116 -1.063 11.401 -5.656 1.00 0.31 H new ATOM 0 HA LEU A 116 -2.266 8.820 -5.872 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.001 9.359 -4.914 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.784 10.064 -3.514 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.921 7.877 -3.054 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.201 5.851 -4.282 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.993 7.015 -5.370 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.220 6.859 -5.373 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.142 6.671 -2.335 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.115 7.705 -3.407 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.276 8.415 -2.008 1.00 0.68 H new ATOM 1907 N LYS A 117 -3.513 10.765 -3.498 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.715 10.894 -2.628 1.00 0.28 C ATOM 1909 C LYS A 117 -5.967 10.954 -3.511 1.00 0.28 C ATOM 1910 O LYS A 117 -7.026 10.491 -3.135 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.594 12.165 -1.750 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.268 13.375 -2.419 1.00 0.78 C ATOM 1913 CD LYS A 117 -4.866 14.657 -1.688 1.00 0.86 C ATOM 1914 CE LYS A 117 -5.573 15.855 -2.328 1.00 1.44 C ATOM 1915 NZ LYS A 117 -5.096 16.032 -3.729 1.00 2.16 N ATOM 0 H LYS A 117 -2.846 11.535 -3.441 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.791 10.032 -1.966 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -5.052 11.983 -0.778 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.542 12.386 -1.570 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -4.973 13.435 -3.467 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -6.351 13.258 -2.399 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -5.132 14.585 -0.633 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -3.785 14.791 -1.736 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -6.652 15.700 -2.318 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -5.375 16.758 -1.750 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -5.892 16.318 -4.333 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -4.360 16.766 -3.755 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -4.702 15.135 -4.078 1.00 2.16 H new ATOM 1929 N SER A 118 -5.858 11.532 -4.678 1.00 0.29 N ATOM 1930 CA SER A 118 -7.045 11.629 -5.572 1.00 0.31 C ATOM 1931 C SER A 118 -7.619 10.234 -5.823 1.00 0.29 C ATOM 1932 O SER A 118 -8.814 10.072 -5.976 1.00 0.30 O ATOM 1933 CB SER A 118 -6.646 12.269 -6.902 1.00 0.34 C ATOM 1934 OG SER A 118 -6.030 13.526 -6.653 1.00 1.35 O ATOM 0 H SER A 118 -5.000 11.940 -5.049 1.00 0.29 H new ATOM 0 HA SER A 118 -7.802 12.249 -5.091 1.00 0.31 H new ATOM 0 HB2 SER A 118 -5.960 11.616 -7.442 1.00 0.34 H new ATOM 0 HB3 SER A 118 -7.525 12.400 -7.533 1.00 0.34 H new ATOM 0 HG SER A 118 -5.139 13.384 -6.271 1.00 1.35 H new ATOM 1940 N MET A 119 -6.798 9.214 -5.839 1.00 0.26 N ATOM 1941 CA MET A 119 -7.344 7.838 -6.052 1.00 0.25 C ATOM 1942 C MET A 119 -8.054 7.406 -4.765 1.00 0.23 C ATOM 1943 O MET A 119 -9.110 6.804 -4.784 1.00 0.24 O ATOM 1944 CB MET A 119 -6.200 6.849 -6.368 1.00 0.26 C ATOM 1945 CG MET A 119 -5.109 7.521 -7.233 1.00 0.61 C ATOM 1946 SD MET A 119 -4.596 6.403 -8.563 1.00 1.03 S ATOM 1947 CE MET A 119 -3.218 7.406 -9.164 1.00 0.69 C ATOM 0 H MET A 119 -5.787 9.272 -5.716 1.00 0.26 H new ATOM 0 HA MET A 119 -8.038 7.840 -6.893 1.00 0.25 H new ATOM 0 HB2 MET A 119 -5.760 6.487 -5.439 1.00 0.26 H new ATOM 0 HB3 MET A 119 -6.600 5.980 -6.891 1.00 0.26 H new ATOM 0 HG2 MET A 119 -5.490 8.451 -7.655 1.00 0.61 H new ATOM 0 HG3 MET A 119 -4.251 7.780 -6.613 1.00 0.61 H new ATOM 0 HE1 MET A 119 -2.740 6.902 -10.004 1.00 0.69 H new ATOM 0 HE2 MET A 119 -3.590 8.378 -9.488 1.00 0.69 H new ATOM 0 HE3 MET A 119 -2.492 7.544 -8.363 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.465 7.729 -3.650 1.00 0.21 N ATOM 1958 CA VAL A 120 -8.049 7.385 -2.326 1.00 0.20 C ATOM 1959 C VAL A 120 -9.342 8.165 -2.099 1.00 0.22 C ATOM 1960 O VAL A 120 -10.354 7.609 -1.719 1.00 0.22 O ATOM 1961 CB VAL A 120 -7.041 7.788 -1.244 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.489 7.232 0.110 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.663 7.221 -1.597 1.00 0.23 C ATOM 0 H VAL A 120 -6.579 8.231 -3.600 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.265 6.317 -2.288 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.986 8.875 -1.187 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.770 7.520 0.877 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.470 7.635 0.362 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.546 6.145 0.056 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.944 7.506 -0.829 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.721 6.134 -1.654 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.342 7.618 -2.560 1.00 0.23 H new ATOM 1973 N GLU A 121 -9.313 9.448 -2.298 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.535 10.263 -2.058 1.00 0.29 C ATOM 1975 C GLU A 121 -11.594 9.978 -3.130 1.00 0.28 C ATOM 1976 O GLU A 121 -12.778 10.023 -2.864 1.00 0.31 O ATOM 1977 CB GLU A 121 -10.150 11.753 -2.079 1.00 0.35 C ATOM 1978 CG GLU A 121 -11.073 12.539 -1.147 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.860 14.039 -1.353 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -9.772 14.413 -1.759 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -11.788 14.789 -1.100 1.00 2.27 O ATOM 0 H GLU A 121 -8.497 9.970 -2.617 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.958 10.002 -1.088 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.113 11.875 -1.766 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.225 12.143 -3.094 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -12.113 12.279 -1.346 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -10.870 12.272 -0.110 1.00 1.07 H new ATOM 1988 N ASP A 122 -11.188 9.692 -4.333 1.00 0.28 N ATOM 1989 CA ASP A 122 -12.192 9.418 -5.398 1.00 0.30 C ATOM 1990 C ASP A 122 -12.852 8.061 -5.149 1.00 0.28 C ATOM 1991 O ASP A 122 -14.037 7.883 -5.368 1.00 0.31 O ATOM 1992 CB ASP A 122 -11.504 9.401 -6.765 1.00 0.34 C ATOM 1993 CG ASP A 122 -11.077 10.821 -7.141 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.041 11.661 -6.257 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -10.794 11.044 -8.306 1.00 1.89 O ATOM 0 H ASP A 122 -10.212 9.636 -4.625 1.00 0.28 H new ATOM 0 HA ASP A 122 -12.950 10.201 -5.381 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.635 8.744 -6.738 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -12.182 9.002 -7.520 1.00 0.34 H new ATOM 2000 N LYS A 123 -12.101 7.094 -4.698 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.694 5.753 -4.453 1.00 0.27 C ATOM 2002 C LYS A 123 -13.515 5.759 -3.160 1.00 0.26 C ATOM 2003 O LYS A 123 -14.534 5.100 -3.069 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.573 4.709 -4.347 1.00 0.27 C ATOM 2005 CG LYS A 123 -12.150 3.291 -4.545 1.00 0.93 C ATOM 2006 CD LYS A 123 -12.166 2.924 -6.035 1.00 1.10 C ATOM 2007 CE LYS A 123 -12.641 1.479 -6.201 1.00 1.43 C ATOM 2008 NZ LYS A 123 -12.840 1.182 -7.648 1.00 1.95 N ATOM 0 H LYS A 123 -11.106 7.176 -4.490 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.353 5.502 -5.284 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.808 4.907 -5.098 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -11.089 4.781 -3.373 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -11.551 2.567 -3.992 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -13.161 3.243 -4.141 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -12.826 3.599 -6.579 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -11.169 3.041 -6.460 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -11.908 0.793 -5.776 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -13.573 1.327 -5.657 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -13.163 0.200 -7.760 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -13.555 1.828 -8.040 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -11.941 1.311 -8.156 1.00 1.95 H new ATOM 2022 N ILE A 124 -13.110 6.503 -2.156 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.921 6.515 -0.904 1.00 0.29 C ATOM 2024 C ILE A 124 -15.185 7.333 -1.188 1.00 0.35 C ATOM 2025 O ILE A 124 -16.189 7.211 -0.525 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.113 7.097 0.263 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.001 6.112 0.643 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.035 7.314 1.464 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.056 6.751 1.668 1.00 0.30 C ATOM 0 H ILE A 124 -12.274 7.087 -2.151 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.195 5.502 -0.609 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.675 8.050 -0.032 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.436 5.202 1.056 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.442 5.822 -0.247 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.461 7.727 2.293 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.830 8.008 1.191 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.472 6.361 1.764 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.271 6.042 1.930 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.608 7.648 1.240 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.617 7.018 2.563 1.00 0.30 H new ATOM 2041 N GLN A 125 -15.129 8.162 -2.192 1.00 0.35 N ATOM 2042 CA GLN A 125 -16.325 8.975 -2.545 1.00 0.40 C ATOM 2043 C GLN A 125 -17.393 8.031 -3.121 1.00 0.43 C ATOM 2044 O GLN A 125 -18.574 8.207 -2.897 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.947 10.051 -3.574 1.00 0.53 C ATOM 2046 CG GLN A 125 -15.437 11.307 -2.856 1.00 1.22 C ATOM 2047 CD GLN A 125 -16.621 12.080 -2.269 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -17.440 12.605 -2.997 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -16.746 12.174 -0.973 1.00 2.64 N ATOM 0 H GLN A 125 -14.310 8.311 -2.781 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.714 9.479 -1.660 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -15.179 9.669 -4.246 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -16.813 10.299 -4.188 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -14.743 11.028 -2.063 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -14.887 11.939 -3.554 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -16.059 11.734 -0.361 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -17.531 12.688 -0.572 1.00 2.64 H new