USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=33 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 Set 1.1: A 95 MET CE :methyl 137:sc= -0.0614 (180deg=-0.372) USER MOD Set 1.2: A 99 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= -1.1 USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= -0.346 USER MOD Set 2.3: A 123 LYS NZ :NH3+ -153:sc= -0.992 (180deg=-0.411) USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc= 1.1 USER MOD Set 3.2: A 41 SER OG : rot 94:sc= 1.09 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.127 X(o=-0.13,f=-0.19) USER MOD Single : A 21 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.18) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.15) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 87:sc= 0.0379 USER MOD Single : A 40 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.74) USER MOD Single : A 44 ASN :FLIP amide:sc= -1.79 F(o=-2.9!,f=-1.8) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 138:sc= -0.239 (180deg=-2.4!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0834 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.496 K(o=-0.5,f=-4.9!) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.187 (180deg=-1.08) USER MOD Single : A 66 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= -0.184 (180deg=-1.02) USER MOD Single : A 74 SER OG : rot 180:sc=7.66e-07 USER MOD Single : A 79 CYS SG : rot 70:sc= 1.15 USER MOD Single : A 81 TYR OH : rot 154:sc= 0.704 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 87 CYS SG : rot 92:sc= -0.398! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0983 USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= -0.0395 (180deg=-0.387) USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.517 USER MOD Single : A 112 GLN : amide:sc=-0.000166 K(o=-0.00017,f=-1.7!) USER MOD Single : A 117 LYS NZ :NH3+ -108:sc= 0.484 (180deg=0) USER MOD Single : A 118 SER OG : rot 65:sc= 0.901 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.357 6.869 -5.818 1.00 0.67 N ATOM 129 CA PRO A 8 9.075 6.010 -6.982 1.00 0.58 C ATOM 130 C PRO A 8 7.729 6.398 -7.607 1.00 0.52 C ATOM 131 O PRO A 8 6.874 6.973 -6.963 1.00 0.58 O ATOM 132 CB PRO A 8 9.044 4.568 -6.420 1.00 0.62 C ATOM 133 CG PRO A 8 9.386 4.650 -4.904 1.00 0.71 C ATOM 134 CD PRO A 8 9.628 6.136 -4.559 1.00 0.75 C ATOM 0 HA PRO A 8 9.821 6.111 -7.770 1.00 0.58 H new ATOM 0 HB2 PRO A 8 8.061 4.120 -6.568 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.764 3.937 -6.942 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.570 4.246 -4.305 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.271 4.056 -4.679 1.00 0.71 H new ATOM 0 HD2 PRO A 8 8.967 6.468 -3.758 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.650 6.301 -4.218 1.00 0.75 H new ATOM 142 N THR A 9 7.535 6.073 -8.856 1.00 0.48 N ATOM 143 CA THR A 9 6.245 6.405 -9.527 1.00 0.46 C ATOM 144 C THR A 9 5.275 5.243 -9.346 1.00 0.43 C ATOM 145 O THR A 9 5.660 4.150 -8.983 1.00 0.44 O ATOM 146 CB THR A 9 6.477 6.617 -11.023 1.00 0.47 C ATOM 147 OG1 THR A 9 7.153 5.489 -11.560 1.00 0.72 O ATOM 148 CG2 THR A 9 7.319 7.868 -11.241 1.00 0.73 C ATOM 0 H THR A 9 8.216 5.591 -9.443 1.00 0.48 H new ATOM 0 HA THR A 9 5.836 7.314 -9.086 1.00 0.46 H new ATOM 0 HB THR A 9 5.517 6.739 -11.524 1.00 0.47 H new ATOM 0 HG1 THR A 9 7.301 5.623 -12.520 1.00 0.72 H new ATOM 0 HG21 THR A 9 7.482 8.015 -12.309 1.00 0.73 H new ATOM 0 HG22 THR A 9 6.798 8.733 -10.831 1.00 0.73 H new ATOM 0 HG23 THR A 9 8.280 7.752 -10.740 1.00 0.73 H new ATOM 156 N LEU A 10 4.024 5.459 -9.630 1.00 0.41 N ATOM 157 CA LEU A 10 3.051 4.348 -9.506 1.00 0.40 C ATOM 158 C LEU A 10 3.322 3.366 -10.636 1.00 0.39 C ATOM 159 O LEU A 10 3.006 2.197 -10.542 1.00 0.39 O ATOM 160 CB LEU A 10 1.615 4.870 -9.609 1.00 0.41 C ATOM 161 CG LEU A 10 0.626 3.690 -9.662 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.819 2.777 -8.444 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.799 4.231 -9.655 1.00 0.41 C ATOM 0 H LEU A 10 3.637 6.350 -9.940 1.00 0.41 H new ATOM 0 HA LEU A 10 3.163 3.865 -8.535 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.389 5.506 -8.753 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.507 5.486 -10.502 1.00 0.41 H new ATOM 0 HG LEU A 10 0.808 3.116 -10.571 1.00 0.37 H new ATOM 0 HD11 LEU A 10 0.113 1.948 -8.495 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.837 2.387 -8.439 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.644 3.346 -7.531 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.504 3.400 -9.692 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -0.965 4.807 -8.745 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -0.949 4.873 -10.523 1.00 0.41 H new ATOM 175 N LYS A 11 3.907 3.822 -11.713 1.00 0.42 N ATOM 176 CA LYS A 11 4.191 2.905 -12.843 1.00 0.44 C ATOM 177 C LYS A 11 5.195 1.848 -12.397 1.00 0.43 C ATOM 178 O LYS A 11 5.196 0.735 -12.885 1.00 0.45 O ATOM 179 CB LYS A 11 4.785 3.717 -14.000 1.00 0.49 C ATOM 180 CG LYS A 11 5.000 2.814 -15.215 1.00 0.83 C ATOM 181 CD LYS A 11 5.482 3.660 -16.397 1.00 0.98 C ATOM 182 CE LYS A 11 5.702 2.761 -17.615 1.00 1.64 C ATOM 183 NZ LYS A 11 6.153 3.590 -18.769 1.00 2.31 N ATOM 0 H LYS A 11 4.198 4.789 -11.854 1.00 0.42 H new ATOM 0 HA LYS A 11 3.272 2.416 -13.166 1.00 0.44 H new ATOM 0 HB2 LYS A 11 4.117 4.538 -14.260 1.00 0.49 H new ATOM 0 HB3 LYS A 11 5.732 4.162 -13.695 1.00 0.49 H new ATOM 0 HG2 LYS A 11 5.733 2.042 -14.983 1.00 0.83 H new ATOM 0 HG3 LYS A 11 4.071 2.305 -15.473 1.00 0.83 H new ATOM 0 HD2 LYS A 11 4.747 4.431 -16.629 1.00 0.98 H new ATOM 0 HD3 LYS A 11 6.409 4.171 -16.137 1.00 0.98 H new ATOM 0 HE2 LYS A 11 6.447 1.999 -17.388 1.00 1.64 H new ATOM 0 HE3 LYS A 11 4.779 2.239 -17.867 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 6.303 2.979 -19.598 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 5.427 4.302 -18.990 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 7.044 4.068 -18.526 1.00 2.31 H new ATOM 197 N ASP A 12 6.070 2.189 -11.489 1.00 0.43 N ATOM 198 CA ASP A 12 7.083 1.196 -11.048 1.00 0.45 C ATOM 199 C ASP A 12 6.366 -0.066 -10.565 1.00 0.44 C ATOM 200 O ASP A 12 6.922 -1.147 -10.557 1.00 0.46 O ATOM 201 CB ASP A 12 7.918 1.787 -9.910 1.00 0.48 C ATOM 202 CG ASP A 12 9.062 0.832 -9.563 1.00 1.16 C ATOM 203 OD1 ASP A 12 8.783 -0.218 -9.009 1.00 1.94 O ATOM 204 OD2 ASP A 12 10.197 1.169 -9.856 1.00 1.88 O ATOM 0 H ASP A 12 6.125 3.103 -11.040 1.00 0.43 H new ATOM 0 HA ASP A 12 7.742 0.946 -11.879 1.00 0.45 H new ATOM 0 HB2 ASP A 12 8.318 2.757 -10.205 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.291 1.953 -9.034 1.00 0.48 H new ATOM 209 N ALA A 13 5.129 0.071 -10.147 1.00 0.43 N ATOM 210 CA ALA A 13 4.374 -1.114 -9.651 1.00 0.45 C ATOM 211 C ALA A 13 4.240 -2.147 -10.772 1.00 0.49 C ATOM 212 O ALA A 13 4.151 -3.334 -10.528 1.00 0.57 O ATOM 213 CB ALA A 13 2.981 -0.672 -9.197 1.00 0.44 C ATOM 0 H ALA A 13 4.615 0.952 -10.130 1.00 0.43 H new ATOM 0 HA ALA A 13 4.909 -1.560 -8.813 1.00 0.45 H new ATOM 0 HB1 ALA A 13 2.425 -1.536 -8.833 1.00 0.44 H new ATOM 0 HB2 ALA A 13 3.075 0.062 -8.397 1.00 0.44 H new ATOM 0 HB3 ALA A 13 2.449 -0.226 -10.037 1.00 0.44 H new ATOM 219 N TYR A 14 4.221 -1.705 -12.001 1.00 0.54 N ATOM 220 CA TYR A 14 4.086 -2.659 -13.139 1.00 0.60 C ATOM 221 C TYR A 14 5.459 -3.239 -13.494 1.00 0.67 C ATOM 222 O TYR A 14 5.661 -3.746 -14.579 1.00 1.15 O ATOM 223 CB TYR A 14 3.518 -1.922 -14.354 1.00 0.61 C ATOM 224 CG TYR A 14 2.063 -1.586 -14.110 1.00 0.58 C ATOM 225 CD1 TYR A 14 1.722 -0.564 -13.215 1.00 1.37 C ATOM 226 CD2 TYR A 14 1.055 -2.294 -14.779 1.00 1.32 C ATOM 227 CE1 TYR A 14 0.375 -0.249 -12.989 1.00 1.41 C ATOM 228 CE2 TYR A 14 -0.291 -1.979 -14.553 1.00 1.33 C ATOM 229 CZ TYR A 14 -0.631 -0.957 -13.659 1.00 0.70 C ATOM 230 OH TYR A 14 -1.957 -0.646 -13.437 1.00 0.82 O ATOM 0 H TYR A 14 4.293 -0.723 -12.266 1.00 0.54 H new ATOM 0 HA TYR A 14 3.415 -3.469 -12.853 1.00 0.60 H new ATOM 0 HB2 TYR A 14 4.086 -1.010 -14.537 1.00 0.61 H new ATOM 0 HB3 TYR A 14 3.614 -2.542 -15.245 1.00 0.61 H new ATOM 0 HD1 TYR A 14 2.498 -0.018 -12.699 1.00 1.37 H new ATOM 0 HD2 TYR A 14 1.316 -3.083 -15.469 1.00 1.32 H new ATOM 0 HE1 TYR A 14 0.113 0.539 -12.299 1.00 1.41 H new ATOM 0 HE2 TYR A 14 -1.067 -2.525 -15.069 1.00 1.33 H new ATOM 0 HH TYR A 14 -2.526 -1.230 -13.981 1.00 0.82 H new ATOM 240 N GLU A 15 6.409 -3.140 -12.596 1.00 0.57 N ATOM 241 CA GLU A 15 7.789 -3.662 -12.867 1.00 0.60 C ATOM 242 C GLU A 15 8.081 -4.854 -11.928 1.00 0.53 C ATOM 243 O GLU A 15 8.536 -4.643 -10.828 1.00 0.57 O ATOM 244 CB GLU A 15 8.791 -2.541 -12.574 1.00 0.68 C ATOM 245 CG GLU A 15 10.153 -2.899 -13.170 1.00 0.89 C ATOM 246 CD GLU A 15 11.196 -1.880 -12.710 1.00 1.59 C ATOM 247 OE1 GLU A 15 11.156 -1.503 -11.551 1.00 2.12 O ATOM 248 OE2 GLU A 15 12.018 -1.494 -13.526 1.00 2.32 O ATOM 0 H GLU A 15 6.287 -2.716 -11.677 1.00 0.57 H new ATOM 0 HA GLU A 15 7.870 -3.988 -13.904 1.00 0.60 H new ATOM 0 HB2 GLU A 15 8.434 -1.602 -12.996 1.00 0.68 H new ATOM 0 HB3 GLU A 15 8.882 -2.393 -11.498 1.00 0.68 H new ATOM 0 HG2 GLU A 15 10.446 -3.901 -12.858 1.00 0.89 H new ATOM 0 HG3 GLU A 15 10.094 -2.909 -14.258 1.00 0.89 H new ATOM 255 N PRO A 16 7.800 -6.070 -12.359 1.00 0.51 N ATOM 256 CA PRO A 16 8.029 -7.257 -11.508 1.00 0.48 C ATOM 257 C PRO A 16 9.523 -7.449 -11.170 1.00 0.51 C ATOM 258 O PRO A 16 10.406 -7.171 -11.955 1.00 0.76 O ATOM 259 CB PRO A 16 7.493 -8.453 -12.337 1.00 0.53 C ATOM 260 CG PRO A 16 6.977 -7.892 -13.691 1.00 0.64 C ATOM 261 CD PRO A 16 7.238 -6.371 -13.695 1.00 0.60 C ATOM 0 HA PRO A 16 7.525 -7.157 -10.547 1.00 0.48 H new ATOM 0 HB2 PRO A 16 8.281 -9.188 -12.502 1.00 0.53 H new ATOM 0 HB3 PRO A 16 6.690 -8.961 -11.802 1.00 0.53 H new ATOM 0 HG2 PRO A 16 7.491 -8.371 -14.525 1.00 0.64 H new ATOM 0 HG3 PRO A 16 5.913 -8.098 -13.811 1.00 0.64 H new ATOM 0 HD2 PRO A 16 7.934 -6.093 -14.487 1.00 0.60 H new ATOM 0 HD3 PRO A 16 6.317 -5.814 -13.870 1.00 0.60 H new ATOM 269 N LEU A 17 9.771 -7.967 -9.999 1.00 0.63 N ATOM 270 CA LEU A 17 11.156 -8.263 -9.520 1.00 0.74 C ATOM 271 C LEU A 17 11.591 -9.655 -9.985 1.00 0.79 C ATOM 272 O LEU A 17 10.779 -10.515 -10.261 1.00 1.03 O ATOM 273 CB LEU A 17 11.142 -8.258 -7.980 1.00 0.79 C ATOM 274 CG LEU A 17 11.060 -6.810 -7.449 1.00 1.26 C ATOM 275 CD1 LEU A 17 11.012 -6.839 -5.919 1.00 1.12 C ATOM 276 CD2 LEU A 17 12.286 -5.979 -7.903 1.00 2.28 C ATOM 0 H LEU A 17 9.042 -8.207 -9.327 1.00 0.63 H new ATOM 0 HA LEU A 17 11.843 -7.516 -9.917 1.00 0.74 H new ATOM 0 HB2 LEU A 17 10.292 -8.835 -7.615 1.00 0.79 H new ATOM 0 HB3 LEU A 17 12.042 -8.741 -7.600 1.00 0.79 H new ATOM 0 HG LEU A 17 10.160 -6.345 -7.850 1.00 1.26 H new ATOM 0 HD11 LEU A 17 10.954 -5.820 -5.537 1.00 1.12 H new ATOM 0 HD12 LEU A 17 10.135 -7.399 -5.593 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.912 -7.319 -5.536 1.00 1.12 H new ATOM 0 HD21 LEU A 17 12.202 -4.964 -7.515 1.00 2.28 H new ATOM 0 HD22 LEU A 17 13.198 -6.438 -7.522 1.00 2.28 H new ATOM 0 HD23 LEU A 17 12.322 -5.949 -8.992 1.00 2.28 H new ATOM 288 N TYR A 18 12.878 -9.879 -10.062 1.00 0.78 N ATOM 289 CA TYR A 18 13.393 -11.214 -10.497 1.00 0.88 C ATOM 290 C TYR A 18 13.437 -12.142 -9.261 1.00 0.76 C ATOM 291 O TYR A 18 13.459 -11.655 -8.148 1.00 0.63 O ATOM 292 CB TYR A 18 14.813 -11.046 -11.094 1.00 1.09 C ATOM 293 CG TYR A 18 15.017 -9.616 -11.543 1.00 0.78 C ATOM 294 CD1 TYR A 18 14.049 -8.993 -12.339 1.00 1.46 C ATOM 295 CD2 TYR A 18 16.171 -8.917 -11.168 1.00 1.41 C ATOM 296 CE1 TYR A 18 14.234 -7.671 -12.760 1.00 1.64 C ATOM 297 CE2 TYR A 18 16.357 -7.597 -11.589 1.00 1.67 C ATOM 298 CZ TYR A 18 15.388 -6.973 -12.386 1.00 1.40 C ATOM 299 OH TYR A 18 15.571 -5.670 -12.802 1.00 1.95 O ATOM 0 H TYR A 18 13.598 -9.191 -9.841 1.00 0.78 H new ATOM 0 HA TYR A 18 12.744 -11.647 -11.258 1.00 0.88 H new ATOM 0 HB2 TYR A 18 15.564 -11.313 -10.350 1.00 1.09 H new ATOM 0 HB3 TYR A 18 14.945 -11.724 -11.938 1.00 1.09 H new ATOM 0 HD1 TYR A 18 13.159 -9.532 -12.628 1.00 1.46 H new ATOM 0 HD2 TYR A 18 16.918 -9.398 -10.553 1.00 1.41 H new ATOM 0 HE1 TYR A 18 13.487 -7.190 -13.373 1.00 1.64 H new ATOM 0 HE2 TYR A 18 17.247 -7.058 -11.300 1.00 1.67 H new ATOM 0 HH TYR A 18 16.423 -5.332 -12.454 1.00 1.95 H new ATOM 309 N PRO A 19 13.452 -13.447 -9.469 1.00 0.88 N ATOM 310 CA PRO A 19 13.498 -14.400 -8.339 1.00 0.87 C ATOM 311 C PRO A 19 14.773 -14.186 -7.503 1.00 0.80 C ATOM 312 O PRO A 19 14.826 -14.529 -6.339 1.00 0.77 O ATOM 313 CB PRO A 19 13.495 -15.801 -8.998 1.00 1.11 C ATOM 314 CG PRO A 19 13.482 -15.596 -10.540 1.00 1.24 C ATOM 315 CD PRO A 19 13.422 -14.077 -10.810 1.00 1.09 C ATOM 0 HA PRO A 19 12.658 -14.272 -7.656 1.00 0.87 H new ATOM 0 HB2 PRO A 19 14.375 -16.369 -8.695 1.00 1.11 H new ATOM 0 HB3 PRO A 19 12.622 -16.372 -8.680 1.00 1.11 H new ATOM 0 HG2 PRO A 19 14.374 -16.030 -10.991 1.00 1.24 H new ATOM 0 HG3 PRO A 19 12.623 -16.098 -10.986 1.00 1.24 H new ATOM 0 HD2 PRO A 19 14.266 -13.751 -11.418 1.00 1.09 H new ATOM 0 HD3 PRO A 19 12.515 -13.808 -11.352 1.00 1.09 H new ATOM 323 N GLN A 20 15.804 -13.637 -8.094 1.00 0.80 N ATOM 324 CA GLN A 20 17.066 -13.426 -7.336 1.00 0.77 C ATOM 325 C GLN A 20 16.966 -12.126 -6.530 1.00 0.68 C ATOM 326 O GLN A 20 17.439 -12.043 -5.414 1.00 0.67 O ATOM 327 CB GLN A 20 18.235 -13.359 -8.321 1.00 0.85 C ATOM 328 CG GLN A 20 19.553 -13.208 -7.567 1.00 1.41 C ATOM 329 CD GLN A 20 19.879 -14.508 -6.829 1.00 1.86 C ATOM 330 OE1 GLN A 20 19.636 -14.625 -5.644 1.00 2.60 O ATOM 331 NE2 GLN A 20 20.424 -15.495 -7.484 1.00 2.30 N ATOM 0 H GLN A 20 15.823 -13.328 -9.066 1.00 0.80 H new ATOM 0 HA GLN A 20 17.231 -14.252 -6.645 1.00 0.77 H new ATOM 0 HB2 GLN A 20 18.258 -14.262 -8.931 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.099 -12.518 -9.001 1.00 0.85 H new ATOM 0 HG2 GLN A 20 20.355 -12.963 -8.263 1.00 1.41 H new ATOM 0 HG3 GLN A 20 19.484 -12.383 -6.857 1.00 1.41 H new ATOM 0 HE21 GLN A 20 20.628 -15.396 -8.479 1.00 2.30 H new ATOM 0 HE22 GLN A 20 20.647 -16.366 -7.002 1.00 2.30 H new ATOM 340 N GLN A 21 16.358 -11.114 -7.079 1.00 0.64 N ATOM 341 CA GLN A 21 16.239 -9.829 -6.332 1.00 0.59 C ATOM 342 C GLN A 21 15.355 -10.040 -5.097 1.00 0.50 C ATOM 343 O GLN A 21 15.685 -9.616 -4.008 1.00 0.47 O ATOM 344 CB GLN A 21 15.613 -8.762 -7.253 1.00 0.64 C ATOM 345 CG GLN A 21 16.716 -7.971 -7.966 1.00 1.02 C ATOM 346 CD GLN A 21 17.393 -7.030 -6.967 1.00 1.57 C ATOM 347 OE1 GLN A 21 18.593 -7.080 -6.785 1.00 2.34 O ATOM 348 NE2 GLN A 21 16.668 -6.169 -6.306 1.00 1.94 N ATOM 0 H GLN A 21 15.939 -11.119 -8.009 1.00 0.64 H new ATOM 0 HA GLN A 21 17.225 -9.493 -6.012 1.00 0.59 H new ATOM 0 HB2 GLN A 21 14.964 -9.239 -7.987 1.00 0.64 H new ATOM 0 HB3 GLN A 21 14.989 -8.086 -6.668 1.00 0.64 H new ATOM 0 HG2 GLN A 21 17.450 -8.654 -8.394 1.00 1.02 H new ATOM 0 HG3 GLN A 21 16.293 -7.399 -8.792 1.00 1.02 H new ATOM 0 HE21 GLN A 21 15.660 -6.127 -6.459 1.00 1.94 H new ATOM 0 HE22 GLN A 21 17.109 -5.538 -5.637 1.00 1.94 H new ATOM 357 N LEU A 22 14.235 -10.683 -5.260 1.00 0.52 N ATOM 358 CA LEU A 22 13.333 -10.908 -4.100 1.00 0.46 C ATOM 359 C LEU A 22 14.009 -11.837 -3.091 1.00 0.42 C ATOM 360 O LEU A 22 13.775 -11.746 -1.900 1.00 0.40 O ATOM 361 CB LEU A 22 12.032 -11.546 -4.597 1.00 0.52 C ATOM 362 CG LEU A 22 11.013 -11.656 -3.453 1.00 0.59 C ATOM 363 CD1 LEU A 22 10.559 -10.258 -2.993 1.00 0.52 C ATOM 364 CD2 LEU A 22 9.804 -12.453 -3.952 1.00 0.93 C ATOM 0 H LEU A 22 13.905 -11.063 -6.147 1.00 0.52 H new ATOM 0 HA LEU A 22 13.115 -9.956 -3.615 1.00 0.46 H new ATOM 0 HB2 LEU A 22 11.614 -10.949 -5.407 1.00 0.52 H new ATOM 0 HB3 LEU A 22 12.238 -12.536 -5.004 1.00 0.52 H new ATOM 0 HG LEU A 22 11.475 -12.160 -2.605 1.00 0.59 H new ATOM 0 HD11 LEU A 22 9.837 -10.358 -2.182 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.422 -9.692 -2.643 1.00 0.52 H new ATOM 0 HD13 LEU A 22 10.096 -9.733 -3.828 1.00 0.52 H new ATOM 0 HD21 LEU A 22 9.070 -12.540 -3.151 1.00 0.93 H new ATOM 0 HD22 LEU A 22 9.355 -11.939 -4.801 1.00 0.93 H new ATOM 0 HD23 LEU A 22 10.126 -13.448 -4.259 1.00 0.93 H new ATOM 376 N GLU A 23 14.834 -12.746 -3.545 1.00 0.44 N ATOM 377 CA GLU A 23 15.486 -13.678 -2.581 1.00 0.42 C ATOM 378 C GLU A 23 16.553 -12.919 -1.787 1.00 0.38 C ATOM 379 O GLU A 23 16.845 -13.237 -0.652 1.00 0.37 O ATOM 380 CB GLU A 23 16.123 -14.843 -3.342 1.00 0.47 C ATOM 381 CG GLU A 23 16.656 -15.879 -2.352 1.00 1.13 C ATOM 382 CD GLU A 23 17.233 -17.069 -3.123 1.00 1.66 C ATOM 383 OE1 GLU A 23 17.765 -16.850 -4.199 1.00 2.30 O ATOM 384 OE2 GLU A 23 17.132 -18.177 -2.624 1.00 2.28 O ATOM 0 H GLU A 23 15.081 -12.881 -4.525 1.00 0.44 H new ATOM 0 HA GLU A 23 14.741 -14.074 -1.891 1.00 0.42 H new ATOM 0 HB2 GLU A 23 15.388 -15.303 -4.003 1.00 0.47 H new ATOM 0 HB3 GLU A 23 16.934 -14.478 -3.972 1.00 0.47 H new ATOM 0 HG2 GLU A 23 17.425 -15.433 -1.721 1.00 1.13 H new ATOM 0 HG3 GLU A 23 15.856 -16.213 -1.692 1.00 1.13 H new ATOM 391 N ILE A 24 17.139 -11.912 -2.385 1.00 0.39 N ATOM 392 CA ILE A 24 18.187 -11.124 -1.682 1.00 0.39 C ATOM 393 C ILE A 24 17.549 -10.383 -0.501 1.00 0.36 C ATOM 394 O ILE A 24 18.079 -10.371 0.592 1.00 0.37 O ATOM 395 CB ILE A 24 18.814 -10.123 -2.676 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.844 -10.854 -3.549 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.505 -8.981 -1.919 1.00 0.48 C ATOM 398 CD1 ILE A 24 20.299 -9.942 -4.692 1.00 0.89 C ATOM 0 H ILE A 24 16.933 -11.603 -3.335 1.00 0.39 H new ATOM 0 HA ILE A 24 18.969 -11.783 -1.303 1.00 0.39 H new ATOM 0 HB ILE A 24 18.026 -9.704 -3.302 1.00 0.44 H new ATOM 0 HG12 ILE A 24 20.702 -11.150 -2.945 1.00 0.52 H new ATOM 0 HG13 ILE A 24 19.408 -11.768 -3.953 1.00 0.52 H new ATOM 0 HG21 ILE A 24 19.942 -8.283 -2.633 1.00 0.48 H new ATOM 0 HG22 ILE A 24 18.774 -8.458 -1.302 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.291 -9.389 -1.283 1.00 0.48 H new ATOM 0 HD11 ILE A 24 21.030 -10.467 -5.307 1.00 0.89 H new ATOM 0 HD12 ILE A 24 19.439 -9.668 -5.303 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.752 -9.041 -4.280 1.00 0.89 H new ATOM 410 N LEU A 25 16.418 -9.765 -0.707 1.00 0.34 N ATOM 411 CA LEU A 25 15.763 -9.033 0.413 1.00 0.34 C ATOM 412 C LEU A 25 15.466 -10.015 1.548 1.00 0.32 C ATOM 413 O LEU A 25 15.527 -9.671 2.711 1.00 0.34 O ATOM 414 CB LEU A 25 14.455 -8.402 -0.078 1.00 0.36 C ATOM 415 CG LEU A 25 14.742 -7.421 -1.225 1.00 0.38 C ATOM 416 CD1 LEU A 25 13.423 -7.034 -1.900 1.00 0.44 C ATOM 417 CD2 LEU A 25 15.430 -6.154 -0.687 1.00 0.41 C ATOM 0 H LEU A 25 15.922 -9.735 -1.598 1.00 0.34 H new ATOM 0 HA LEU A 25 16.426 -8.246 0.773 1.00 0.34 H new ATOM 0 HB2 LEU A 25 13.771 -9.180 -0.417 1.00 0.36 H new ATOM 0 HB3 LEU A 25 13.963 -7.880 0.743 1.00 0.36 H new ATOM 0 HG LEU A 25 15.403 -7.902 -1.946 1.00 0.38 H new ATOM 0 HD11 LEU A 25 13.622 -6.338 -2.715 1.00 0.44 H new ATOM 0 HD12 LEU A 25 12.941 -7.928 -2.296 1.00 0.44 H new ATOM 0 HD13 LEU A 25 12.766 -6.561 -1.170 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.627 -5.469 -1.512 1.00 0.41 H new ATOM 0 HD22 LEU A 25 14.780 -5.668 0.041 1.00 0.41 H new ATOM 0 HD23 LEU A 25 16.371 -6.426 -0.209 1.00 0.41 H new ATOM 429 N ARG A 26 15.149 -11.238 1.218 1.00 0.31 N ATOM 430 CA ARG A 26 14.853 -12.243 2.278 1.00 0.33 C ATOM 431 C ARG A 26 16.146 -12.611 3.009 1.00 0.31 C ATOM 432 O ARG A 26 16.179 -12.703 4.219 1.00 0.32 O ATOM 433 CB ARG A 26 14.257 -13.501 1.645 1.00 0.38 C ATOM 434 CG ARG A 26 13.976 -14.535 2.738 1.00 0.69 C ATOM 435 CD ARG A 26 13.123 -15.668 2.164 1.00 1.00 C ATOM 436 NE ARG A 26 11.748 -15.163 1.891 1.00 1.36 N ATOM 437 CZ ARG A 26 10.936 -15.855 1.140 1.00 1.86 C ATOM 438 NH1 ARG A 26 11.326 -16.991 0.629 1.00 2.36 N ATOM 439 NH2 ARG A 26 9.732 -15.411 0.901 1.00 2.46 N ATOM 0 H ARG A 26 15.082 -11.584 0.261 1.00 0.31 H new ATOM 0 HA ARG A 26 14.140 -11.819 2.984 1.00 0.33 H new ATOM 0 HB2 ARG A 26 13.336 -13.254 1.117 1.00 0.38 H new ATOM 0 HB3 ARG A 26 14.947 -13.913 0.908 1.00 0.38 H new ATOM 0 HG2 ARG A 26 14.914 -14.933 3.126 1.00 0.69 H new ATOM 0 HG3 ARG A 26 13.459 -14.064 3.574 1.00 0.69 H new ATOM 0 HD2 ARG A 26 13.572 -16.047 1.246 1.00 1.00 H new ATOM 0 HD3 ARG A 26 13.084 -16.500 2.867 1.00 1.00 H new ATOM 0 HE ARG A 26 11.442 -14.276 2.291 1.00 1.36 H new ATOM 0 HH11 ARG A 26 12.266 -17.339 0.817 1.00 2.36 H new ATOM 0 HH12 ARG A 26 10.690 -17.531 0.042 1.00 2.36 H new ATOM 0 HH21 ARG A 26 9.427 -14.524 1.301 1.00 2.46 H new ATOM 0 HH22 ARG A 26 9.096 -15.951 0.314 1.00 2.46 H new ATOM 453 N GLN A 27 17.219 -12.788 2.290 1.00 0.31 N ATOM 454 CA GLN A 27 18.517 -13.117 2.942 1.00 0.32 C ATOM 455 C GLN A 27 18.909 -11.988 3.893 1.00 0.31 C ATOM 456 O GLN A 27 19.351 -12.217 5.001 1.00 0.33 O ATOM 457 CB GLN A 27 19.588 -13.249 1.854 1.00 0.33 C ATOM 458 CG GLN A 27 19.345 -14.537 1.061 1.00 0.99 C ATOM 459 CD GLN A 27 20.284 -14.585 -0.145 1.00 1.48 C ATOM 460 OE1 GLN A 27 19.810 -14.335 -1.335 1.00 2.02 O flip ATOM 461 NE2 GLN A 27 21.460 -14.855 -0.004 1.00 2.23 N flip ATOM 0 H GLN A 27 17.253 -12.718 1.273 1.00 0.31 H new ATOM 0 HA GLN A 27 18.427 -14.048 3.501 1.00 0.32 H new ATOM 0 HB2 GLN A 27 19.555 -12.386 1.188 1.00 0.33 H new ATOM 0 HB3 GLN A 27 20.580 -13.267 2.304 1.00 0.33 H new ATOM 0 HG2 GLN A 27 19.512 -15.405 1.699 1.00 0.99 H new ATOM 0 HG3 GLN A 27 18.308 -14.581 0.728 1.00 0.99 H new ATOM 0 HE21 GLN A 27 21.830 -15.050 0.926 1.00 2.23 H new ATOM 0 HE22 GLN A 27 22.077 -14.886 -0.816 1.00 2.23 H new ATOM 470 N GLN A 28 18.749 -10.765 3.464 1.00 0.30 N ATOM 471 CA GLN A 28 19.111 -9.611 4.333 1.00 0.31 C ATOM 472 C GLN A 28 18.156 -9.558 5.528 1.00 0.30 C ATOM 473 O GLN A 28 18.530 -9.178 6.620 1.00 0.34 O ATOM 474 CB GLN A 28 18.997 -8.315 3.521 1.00 0.33 C ATOM 475 CG GLN A 28 19.757 -7.189 4.228 1.00 1.10 C ATOM 476 CD GLN A 28 21.262 -7.386 4.038 1.00 1.61 C ATOM 477 OE1 GLN A 28 21.988 -7.570 4.994 1.00 2.28 O ATOM 478 NE2 GLN A 28 21.764 -7.355 2.834 1.00 2.28 N ATOM 0 H GLN A 28 18.382 -10.516 2.546 1.00 0.30 H new ATOM 0 HA GLN A 28 20.133 -9.725 4.694 1.00 0.31 H new ATOM 0 HB2 GLN A 28 19.401 -8.466 2.520 1.00 0.33 H new ATOM 0 HB3 GLN A 28 17.949 -8.040 3.403 1.00 0.33 H new ATOM 0 HG2 GLN A 28 19.453 -6.223 3.825 1.00 1.10 H new ATOM 0 HG3 GLN A 28 19.512 -7.183 5.290 1.00 1.10 H new ATOM 0 HE21 GLN A 28 21.154 -7.200 2.031 1.00 2.28 H new ATOM 0 HE22 GLN A 28 22.766 -7.485 2.696 1.00 2.28 H new ATOM 487 N VAL A 29 16.925 -9.938 5.326 1.00 0.27 N ATOM 488 CA VAL A 29 15.947 -9.909 6.449 1.00 0.28 C ATOM 489 C VAL A 29 16.202 -11.102 7.378 1.00 0.30 C ATOM 490 O VAL A 29 16.305 -10.954 8.580 1.00 0.33 O ATOM 491 CB VAL A 29 14.521 -9.974 5.878 1.00 0.27 C ATOM 492 CG1 VAL A 29 13.517 -10.341 6.985 1.00 0.30 C ATOM 493 CG2 VAL A 29 14.156 -8.610 5.281 1.00 0.27 C ATOM 0 H VAL A 29 16.555 -10.267 4.434 1.00 0.27 H new ATOM 0 HA VAL A 29 16.062 -8.987 7.019 1.00 0.28 H new ATOM 0 HB VAL A 29 14.480 -10.740 5.104 1.00 0.27 H new ATOM 0 HG11 VAL A 29 12.512 -10.383 6.565 1.00 0.30 H new ATOM 0 HG12 VAL A 29 13.776 -11.313 7.404 1.00 0.30 H new ATOM 0 HG13 VAL A 29 13.551 -9.587 7.771 1.00 0.30 H new ATOM 0 HG21 VAL A 29 13.146 -8.650 4.874 1.00 0.27 H new ATOM 0 HG22 VAL A 29 14.205 -7.848 6.059 1.00 0.27 H new ATOM 0 HG23 VAL A 29 14.858 -8.362 4.485 1.00 0.27 H new ATOM 503 N VAL A 30 16.293 -12.281 6.834 1.00 0.31 N ATOM 504 CA VAL A 30 16.528 -13.481 7.683 1.00 0.35 C ATOM 505 C VAL A 30 17.934 -13.440 8.279 1.00 0.37 C ATOM 506 O VAL A 30 18.144 -13.806 9.419 1.00 0.42 O ATOM 507 CB VAL A 30 16.389 -14.733 6.822 1.00 0.35 C ATOM 508 CG1 VAL A 30 16.616 -15.977 7.679 1.00 0.40 C ATOM 509 CG2 VAL A 30 14.989 -14.779 6.217 1.00 0.35 C ATOM 0 H VAL A 30 16.215 -12.467 5.834 1.00 0.31 H new ATOM 0 HA VAL A 30 15.798 -13.494 8.492 1.00 0.35 H new ATOM 0 HB VAL A 30 17.131 -14.707 6.024 1.00 0.35 H new ATOM 0 HG11 VAL A 30 16.516 -16.869 7.060 1.00 0.40 H new ATOM 0 HG12 VAL A 30 17.617 -15.945 8.109 1.00 0.40 H new ATOM 0 HG13 VAL A 30 15.877 -16.007 8.480 1.00 0.40 H new ATOM 0 HG21 VAL A 30 14.888 -15.673 5.601 1.00 0.35 H new ATOM 0 HG22 VAL A 30 14.248 -14.803 7.016 1.00 0.35 H new ATOM 0 HG23 VAL A 30 14.830 -13.894 5.601 1.00 0.35 H new ATOM 519 N SER A 31 18.905 -13.022 7.516 1.00 0.36 N ATOM 520 CA SER A 31 20.296 -12.995 8.052 1.00 0.39 C ATOM 521 C SER A 31 20.341 -12.160 9.336 1.00 0.42 C ATOM 522 O SER A 31 21.116 -12.431 10.232 1.00 0.47 O ATOM 523 CB SER A 31 21.248 -12.408 7.010 1.00 0.38 C ATOM 524 OG SER A 31 22.539 -12.251 7.586 1.00 1.36 O ATOM 0 H SER A 31 18.799 -12.701 6.554 1.00 0.36 H new ATOM 0 HA SER A 31 20.610 -14.014 8.279 1.00 0.39 H new ATOM 0 HB2 SER A 31 21.303 -13.063 6.141 1.00 0.38 H new ATOM 0 HB3 SER A 31 20.874 -11.446 6.661 1.00 0.38 H new ATOM 0 HG SER A 31 23.151 -11.876 6.919 1.00 1.36 H new ATOM 530 N GLU A 32 19.523 -11.146 9.438 1.00 0.42 N ATOM 531 CA GLU A 32 19.534 -10.308 10.671 1.00 0.47 C ATOM 532 C GLU A 32 18.703 -10.992 11.760 1.00 0.49 C ATOM 533 O GLU A 32 18.721 -10.590 12.906 1.00 0.54 O ATOM 534 CB GLU A 32 18.938 -8.934 10.370 1.00 0.48 C ATOM 535 CG GLU A 32 19.812 -8.204 9.347 1.00 0.79 C ATOM 536 CD GLU A 32 21.099 -7.722 10.023 1.00 1.50 C ATOM 537 OE1 GLU A 32 21.071 -6.654 10.611 1.00 2.23 O ATOM 538 OE2 GLU A 32 22.089 -8.430 9.940 1.00 2.22 O ATOM 0 H GLU A 32 18.851 -10.863 8.724 1.00 0.42 H new ATOM 0 HA GLU A 32 20.562 -10.188 11.013 1.00 0.47 H new ATOM 0 HB2 GLU A 32 17.924 -9.043 9.984 1.00 0.48 H new ATOM 0 HB3 GLU A 32 18.869 -8.348 11.287 1.00 0.48 H new ATOM 0 HG2 GLU A 32 20.052 -8.869 8.518 1.00 0.79 H new ATOM 0 HG3 GLU A 32 19.269 -7.356 8.929 1.00 0.79 H new ATOM 545 N GLY A 33 17.976 -12.025 11.407 1.00 0.47 N ATOM 546 CA GLY A 33 17.134 -12.755 12.411 1.00 0.50 C ATOM 547 C GLY A 33 15.676 -12.758 11.945 1.00 0.50 C ATOM 548 O GLY A 33 14.832 -13.413 12.520 1.00 0.66 O ATOM 0 H GLY A 33 17.929 -12.398 10.459 1.00 0.47 H new ATOM 0 HA2 GLY A 33 17.492 -13.778 12.528 1.00 0.50 H new ATOM 0 HA3 GLY A 33 17.215 -12.276 13.387 1.00 0.50 H new ATOM 552 N GLY A 34 15.381 -12.029 10.899 1.00 0.43 N ATOM 553 CA GLY A 34 13.982 -11.977 10.376 1.00 0.43 C ATOM 554 C GLY A 34 13.268 -10.717 10.923 1.00 0.43 C ATOM 555 O GLY A 34 13.619 -9.624 10.526 1.00 0.41 O ATOM 0 H GLY A 34 16.054 -11.464 10.381 1.00 0.43 H new ATOM 0 HA2 GLY A 34 13.991 -11.957 9.286 1.00 0.43 H new ATOM 0 HA3 GLY A 34 13.438 -12.873 10.674 1.00 0.43 H new ATOM 559 N PRO A 35 12.291 -10.868 11.809 1.00 0.47 N ATOM 560 CA PRO A 35 11.579 -9.694 12.359 1.00 0.51 C ATOM 561 C PRO A 35 12.564 -8.733 13.040 1.00 0.52 C ATOM 562 O PRO A 35 12.386 -7.531 13.021 1.00 0.64 O ATOM 563 CB PRO A 35 10.578 -10.277 13.389 1.00 0.57 C ATOM 564 CG PRO A 35 10.729 -11.823 13.368 1.00 0.58 C ATOM 565 CD PRO A 35 11.818 -12.172 12.333 1.00 0.52 C ATOM 0 HA PRO A 35 11.075 -9.120 11.582 1.00 0.51 H new ATOM 0 HB2 PRO A 35 10.783 -9.886 14.386 1.00 0.57 H new ATOM 0 HB3 PRO A 35 9.558 -9.989 13.137 1.00 0.57 H new ATOM 0 HG2 PRO A 35 11.006 -12.194 14.355 1.00 0.58 H new ATOM 0 HG3 PRO A 35 9.784 -12.296 13.103 1.00 0.58 H new ATOM 0 HD2 PRO A 35 12.633 -12.730 12.793 1.00 0.52 H new ATOM 0 HD3 PRO A 35 11.416 -12.795 11.534 1.00 0.52 H new ATOM 573 N THR A 36 13.590 -9.255 13.655 1.00 0.50 N ATOM 574 CA THR A 36 14.569 -8.374 14.350 1.00 0.50 C ATOM 575 C THR A 36 15.441 -7.647 13.325 1.00 0.48 C ATOM 576 O THR A 36 16.427 -7.026 13.667 1.00 0.48 O ATOM 577 CB THR A 36 15.456 -9.220 15.267 1.00 0.51 C ATOM 578 OG1 THR A 36 16.220 -10.124 14.482 1.00 0.69 O ATOM 579 CG2 THR A 36 14.580 -10.005 16.245 1.00 0.80 C ATOM 0 H THR A 36 13.792 -10.254 13.706 1.00 0.50 H new ATOM 0 HA THR A 36 14.027 -7.637 14.942 1.00 0.50 H new ATOM 0 HB THR A 36 16.127 -8.568 15.827 1.00 0.51 H new ATOM 0 HG1 THR A 36 17.048 -9.687 14.193 1.00 0.69 H new ATOM 0 HG21 THR A 36 15.212 -10.607 16.897 1.00 0.80 H new ATOM 0 HG22 THR A 36 13.995 -9.310 16.847 1.00 0.80 H new ATOM 0 HG23 THR A 36 13.908 -10.658 15.688 1.00 0.80 H new ATOM 587 N ALA A 37 15.085 -7.710 12.071 1.00 0.48 N ATOM 588 CA ALA A 37 15.899 -7.011 11.037 1.00 0.48 C ATOM 589 C ALA A 37 15.603 -5.512 11.091 1.00 0.55 C ATOM 590 O ALA A 37 14.566 -5.092 11.564 1.00 1.10 O ATOM 591 CB ALA A 37 15.553 -7.560 9.652 1.00 0.42 C ATOM 0 H ALA A 37 14.270 -8.213 11.719 1.00 0.48 H new ATOM 0 HA ALA A 37 16.959 -7.178 11.230 1.00 0.48 H new ATOM 0 HB1 ALA A 37 16.150 -7.047 8.898 1.00 0.42 H new ATOM 0 HB2 ALA A 37 15.768 -8.628 9.620 1.00 0.42 H new ATOM 0 HB3 ALA A 37 14.494 -7.397 9.450 1.00 0.42 H new ATOM 597 N THR A 38 16.508 -4.698 10.617 1.00 0.45 N ATOM 598 CA THR A 38 16.274 -3.227 10.649 1.00 0.46 C ATOM 599 C THR A 38 14.930 -2.911 9.991 1.00 0.40 C ATOM 600 O THR A 38 14.352 -3.734 9.310 1.00 0.36 O ATOM 601 CB THR A 38 17.396 -2.513 9.891 1.00 0.48 C ATOM 602 OG1 THR A 38 17.503 -3.056 8.583 1.00 0.66 O ATOM 603 CG2 THR A 38 18.718 -2.705 10.636 1.00 0.66 C ATOM 0 H THR A 38 17.397 -4.988 10.210 1.00 0.45 H new ATOM 0 HA THR A 38 16.262 -2.884 11.683 1.00 0.46 H new ATOM 0 HB THR A 38 17.170 -1.449 9.824 1.00 0.48 H new ATOM 0 HG1 THR A 38 18.220 -2.599 8.097 1.00 0.66 H new ATOM 0 HG21 THR A 38 19.517 -2.197 10.096 1.00 0.66 H new ATOM 0 HG22 THR A 38 18.634 -2.287 11.639 1.00 0.66 H new ATOM 0 HG23 THR A 38 18.946 -3.769 10.704 1.00 0.66 H new ATOM 611 N ILE A 39 14.426 -1.725 10.191 1.00 0.47 N ATOM 612 CA ILE A 39 13.119 -1.360 9.578 1.00 0.45 C ATOM 613 C ILE A 39 13.270 -1.298 8.058 1.00 0.40 C ATOM 614 O ILE A 39 12.418 -1.756 7.322 1.00 0.38 O ATOM 615 CB ILE A 39 12.669 0.010 10.101 1.00 0.55 C ATOM 616 CG1 ILE A 39 12.597 -0.001 11.645 1.00 0.73 C ATOM 617 CG2 ILE A 39 11.304 0.360 9.506 1.00 0.53 C ATOM 618 CD1 ILE A 39 11.315 -0.690 12.146 1.00 0.73 C ATOM 0 H ILE A 39 14.862 -0.993 10.752 1.00 0.47 H new ATOM 0 HA ILE A 39 12.374 -2.111 9.842 1.00 0.45 H new ATOM 0 HB ILE A 39 13.395 0.765 9.799 1.00 0.55 H new ATOM 0 HG12 ILE A 39 13.469 -0.517 12.047 1.00 0.73 H new ATOM 0 HG13 ILE A 39 12.631 1.022 12.019 1.00 0.73 H new ATOM 0 HG21 ILE A 39 10.984 1.333 9.877 1.00 0.53 H new ATOM 0 HG22 ILE A 39 11.379 0.393 8.419 1.00 0.53 H new ATOM 0 HG23 ILE A 39 10.575 -0.397 9.797 1.00 0.53 H new ATOM 0 HD11 ILE A 39 11.298 -0.679 13.236 1.00 0.73 H new ATOM 0 HD12 ILE A 39 10.443 -0.158 11.764 1.00 0.73 H new ATOM 0 HD13 ILE A 39 11.294 -1.721 11.793 1.00 0.73 H new ATOM 630 N GLN A 40 14.345 -0.739 7.581 1.00 0.42 N ATOM 631 CA GLN A 40 14.548 -0.653 6.108 1.00 0.43 C ATOM 632 C GLN A 40 14.526 -2.060 5.508 1.00 0.35 C ATOM 633 O GLN A 40 14.169 -2.253 4.363 1.00 0.37 O ATOM 634 CB GLN A 40 15.899 0.004 5.818 1.00 0.53 C ATOM 635 CG GLN A 40 15.909 1.425 6.384 1.00 1.38 C ATOM 636 CD GLN A 40 14.953 2.304 5.576 1.00 1.91 C ATOM 637 OE1 GLN A 40 13.972 2.795 6.099 1.00 2.54 O ATOM 638 NE2 GLN A 40 15.199 2.525 4.314 1.00 2.43 N ATOM 0 H GLN A 40 15.093 -0.337 8.147 1.00 0.42 H new ATOM 0 HA GLN A 40 13.751 -0.056 5.665 1.00 0.43 H new ATOM 0 HB2 GLN A 40 16.703 -0.582 6.264 1.00 0.53 H new ATOM 0 HB3 GLN A 40 16.080 0.028 4.743 1.00 0.53 H new ATOM 0 HG2 GLN A 40 15.610 1.412 7.432 1.00 1.38 H new ATOM 0 HG3 GLN A 40 16.918 1.836 6.345 1.00 1.38 H new ATOM 0 HE21 GLN A 40 16.022 2.113 3.875 1.00 2.43 H new ATOM 0 HE22 GLN A 40 14.568 3.110 3.766 1.00 2.43 H new ATOM 647 N SER A 41 14.909 -3.045 6.274 1.00 0.31 N ATOM 648 CA SER A 41 14.916 -4.440 5.748 1.00 0.28 C ATOM 649 C SER A 41 13.481 -4.957 5.654 1.00 0.24 C ATOM 650 O SER A 41 13.072 -5.509 4.651 1.00 0.25 O ATOM 651 CB SER A 41 15.721 -5.337 6.689 1.00 0.29 C ATOM 652 OG SER A 41 17.012 -4.775 6.883 1.00 1.32 O ATOM 0 H SER A 41 15.217 -2.944 7.241 1.00 0.31 H new ATOM 0 HA SER A 41 15.372 -4.452 4.758 1.00 0.28 H new ATOM 0 HB2 SER A 41 15.207 -5.435 7.645 1.00 0.29 H new ATOM 0 HB3 SER A 41 15.807 -6.339 6.269 1.00 0.29 H new ATOM 0 HG SER A 41 17.006 -4.211 7.685 1.00 1.32 H new ATOM 658 N ARG A 42 12.711 -4.779 6.691 1.00 0.22 N ATOM 659 CA ARG A 42 11.302 -5.256 6.663 1.00 0.21 C ATOM 660 C ARG A 42 10.497 -4.370 5.707 1.00 0.20 C ATOM 661 O ARG A 42 9.634 -4.834 4.989 1.00 0.20 O ATOM 662 CB ARG A 42 10.713 -5.173 8.082 1.00 0.24 C ATOM 663 CG ARG A 42 9.550 -6.175 8.243 1.00 0.52 C ATOM 664 CD ARG A 42 10.093 -7.568 8.617 1.00 0.82 C ATOM 665 NE ARG A 42 9.210 -8.636 8.046 1.00 1.50 N ATOM 666 CZ ARG A 42 7.909 -8.591 8.181 1.00 1.92 C ATOM 667 NH1 ARG A 42 7.348 -7.682 8.929 1.00 1.83 N ATOM 668 NH2 ARG A 42 7.167 -9.495 7.602 1.00 2.91 N ATOM 0 H ARG A 42 12.998 -4.323 7.557 1.00 0.22 H new ATOM 0 HA ARG A 42 11.260 -6.289 6.319 1.00 0.21 H new ATOM 0 HB2 ARG A 42 11.489 -5.386 8.817 1.00 0.24 H new ATOM 0 HB3 ARG A 42 10.359 -4.161 8.277 1.00 0.24 H new ATOM 0 HG2 ARG A 42 8.864 -5.825 9.014 1.00 0.52 H new ATOM 0 HG3 ARG A 42 8.982 -6.236 7.315 1.00 0.52 H new ATOM 0 HD2 ARG A 42 11.109 -7.684 8.239 1.00 0.82 H new ATOM 0 HD3 ARG A 42 10.143 -7.668 9.701 1.00 0.82 H new ATOM 0 HE ARG A 42 9.632 -9.415 7.541 1.00 1.50 H new ATOM 0 HH11 ARG A 42 7.924 -6.996 9.417 1.00 1.83 H new ATOM 0 HH12 ARG A 42 6.333 -7.657 9.026 1.00 1.83 H new ATOM 0 HH21 ARG A 42 7.601 -10.232 7.047 1.00 2.91 H new ATOM 0 HH22 ARG A 42 6.153 -9.464 7.704 1.00 2.91 H new ATOM 682 N PHE A 43 10.771 -3.093 5.703 1.00 0.22 N ATOM 683 CA PHE A 43 10.026 -2.167 4.806 1.00 0.24 C ATOM 684 C PHE A 43 10.245 -2.570 3.346 1.00 0.23 C ATOM 685 O PHE A 43 9.338 -2.520 2.540 1.00 0.23 O ATOM 686 CB PHE A 43 10.535 -0.739 5.026 1.00 0.28 C ATOM 687 CG PHE A 43 9.829 0.208 4.084 1.00 0.38 C ATOM 688 CD1 PHE A 43 8.629 0.816 4.473 1.00 1.40 C ATOM 689 CD2 PHE A 43 10.376 0.482 2.825 1.00 1.18 C ATOM 690 CE1 PHE A 43 7.976 1.697 3.603 1.00 1.48 C ATOM 691 CE2 PHE A 43 9.723 1.363 1.954 1.00 1.22 C ATOM 692 CZ PHE A 43 8.523 1.970 2.343 1.00 0.70 C ATOM 0 H PHE A 43 11.482 -2.651 6.285 1.00 0.22 H new ATOM 0 HA PHE A 43 8.961 -2.218 5.033 1.00 0.24 H new ATOM 0 HB2 PHE A 43 10.361 -0.436 6.059 1.00 0.28 H new ATOM 0 HB3 PHE A 43 11.611 -0.697 4.859 1.00 0.28 H new ATOM 0 HD1 PHE A 43 8.207 0.605 5.445 1.00 1.40 H new ATOM 0 HD2 PHE A 43 11.302 0.014 2.525 1.00 1.18 H new ATOM 0 HE1 PHE A 43 7.051 2.166 3.903 1.00 1.48 H new ATOM 0 HE2 PHE A 43 10.145 1.574 0.983 1.00 1.22 H new ATOM 0 HZ PHE A 43 8.019 2.649 1.671 1.00 0.70 H new ATOM 702 N ASN A 44 11.441 -2.961 2.992 1.00 0.24 N ATOM 703 CA ASN A 44 11.705 -3.356 1.579 1.00 0.24 C ATOM 704 C ASN A 44 10.997 -4.679 1.272 1.00 0.22 C ATOM 705 O ASN A 44 10.465 -4.873 0.198 1.00 0.23 O ATOM 706 CB ASN A 44 13.217 -3.516 1.376 1.00 0.25 C ATOM 707 CG ASN A 44 13.546 -3.489 -0.118 1.00 0.95 C ATOM 708 OD1 ASN A 44 12.767 -4.114 -0.958 1.00 1.73 O flip ATOM 709 ND2 ASN A 44 14.523 -2.893 -0.526 1.00 1.67 N flip ATOM 0 H ASN A 44 12.243 -3.023 3.619 1.00 0.24 H new ATOM 0 HA ASN A 44 11.326 -2.587 0.906 1.00 0.24 H new ATOM 0 HB2 ASN A 44 13.749 -2.715 1.889 1.00 0.25 H new ATOM 0 HB3 ASN A 44 13.555 -4.455 1.815 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.133 -2.404 0.129 1.00 1.67 H new ATOM 0 HD22 ASN A 44 14.733 -2.882 -1.524 1.00 1.67 H new ATOM 716 N TYR A 45 10.983 -5.590 2.207 1.00 0.21 N ATOM 717 CA TYR A 45 10.305 -6.896 1.965 1.00 0.20 C ATOM 718 C TYR A 45 8.851 -6.641 1.566 1.00 0.21 C ATOM 719 O TYR A 45 8.296 -7.324 0.729 1.00 0.22 O ATOM 720 CB TYR A 45 10.343 -7.735 3.246 1.00 0.20 C ATOM 721 CG TYR A 45 9.703 -9.084 2.994 1.00 0.21 C ATOM 722 CD1 TYR A 45 10.336 -10.011 2.157 1.00 1.12 C ATOM 723 CD2 TYR A 45 8.481 -9.412 3.601 1.00 1.33 C ATOM 724 CE1 TYR A 45 9.749 -11.261 1.926 1.00 1.05 C ATOM 725 CE2 TYR A 45 7.895 -10.664 3.369 1.00 1.43 C ATOM 726 CZ TYR A 45 8.530 -11.588 2.532 1.00 0.43 C ATOM 727 OH TYR A 45 7.954 -12.821 2.303 1.00 0.57 O ATOM 0 H TYR A 45 11.411 -5.487 3.127 1.00 0.21 H new ATOM 0 HA TYR A 45 10.816 -7.432 1.165 1.00 0.20 H new ATOM 0 HB2 TYR A 45 11.374 -7.867 3.575 1.00 0.20 H new ATOM 0 HB3 TYR A 45 9.817 -7.216 4.047 1.00 0.20 H new ATOM 0 HD1 TYR A 45 11.277 -9.762 1.690 1.00 1.12 H new ATOM 0 HD2 TYR A 45 7.991 -8.699 4.248 1.00 1.33 H new ATOM 0 HE1 TYR A 45 10.238 -11.974 1.279 1.00 1.05 H new ATOM 0 HE2 TYR A 45 6.954 -10.915 3.836 1.00 1.43 H new ATOM 0 HH TYR A 45 7.112 -12.886 2.800 1.00 0.57 H new ATOM 737 N ALA A 46 8.232 -5.661 2.163 1.00 0.22 N ATOM 738 CA ALA A 46 6.814 -5.355 1.828 1.00 0.24 C ATOM 739 C ALA A 46 6.738 -4.688 0.455 1.00 0.25 C ATOM 740 O ALA A 46 5.764 -4.823 -0.259 1.00 0.28 O ATOM 741 CB ALA A 46 6.243 -4.404 2.880 1.00 0.26 C ATOM 0 H ALA A 46 8.649 -5.057 2.871 1.00 0.22 H new ATOM 0 HA ALA A 46 6.239 -6.281 1.812 1.00 0.24 H new ATOM 0 HB1 ALA A 46 5.204 -4.177 2.639 1.00 0.26 H new ATOM 0 HB2 ALA A 46 6.293 -4.875 3.862 1.00 0.26 H new ATOM 0 HB3 ALA A 46 6.824 -3.482 2.890 1.00 0.26 H new ATOM 747 N TRP A 47 7.751 -3.957 0.084 1.00 0.26 N ATOM 748 CA TRP A 47 7.724 -3.273 -1.236 1.00 0.29 C ATOM 749 C TRP A 47 7.750 -4.312 -2.358 1.00 0.29 C ATOM 750 O TRP A 47 6.979 -4.240 -3.295 1.00 0.29 O ATOM 751 CB TRP A 47 8.933 -2.335 -1.343 1.00 0.33 C ATOM 752 CG TRP A 47 9.007 -1.712 -2.708 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.095 -1.764 -3.511 1.00 0.38 C ATOM 754 CD2 TRP A 47 7.999 -0.937 -3.439 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.824 -1.084 -4.683 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.548 -0.561 -4.690 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.678 -0.530 -3.153 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.818 0.186 -5.617 1.00 0.42 C ATOM 759 CZ3 TRP A 47 5.945 0.220 -4.085 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.512 0.576 -5.314 1.00 0.44 C ATOM 0 H TRP A 47 8.594 -3.804 0.637 1.00 0.26 H new ATOM 0 HA TRP A 47 6.810 -2.687 -1.330 1.00 0.29 H new ATOM 0 HB2 TRP A 47 8.861 -1.554 -0.586 1.00 0.33 H new ATOM 0 HB3 TRP A 47 9.849 -2.891 -1.142 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.026 -2.258 -3.274 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.488 -0.981 -5.451 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.228 -0.798 -2.209 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.261 0.460 -6.563 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 4.935 0.525 -3.852 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.940 1.152 -6.027 1.00 0.44 H new ATOM 771 N GLY A 48 8.629 -5.273 -2.283 1.00 0.29 N ATOM 772 CA GLY A 48 8.694 -6.301 -3.358 1.00 0.30 C ATOM 773 C GLY A 48 7.377 -7.076 -3.415 1.00 0.27 C ATOM 774 O GLY A 48 6.896 -7.419 -4.477 1.00 0.29 O ATOM 0 H GLY A 48 9.303 -5.390 -1.526 1.00 0.29 H new ATOM 0 HA2 GLY A 48 8.887 -5.824 -4.319 1.00 0.30 H new ATOM 0 HA3 GLY A 48 9.521 -6.985 -3.170 1.00 0.30 H new ATOM 778 N LEU A 49 6.786 -7.356 -2.285 1.00 0.25 N ATOM 779 CA LEU A 49 5.501 -8.109 -2.289 1.00 0.24 C ATOM 780 C LEU A 49 4.435 -7.303 -3.032 1.00 0.24 C ATOM 781 O LEU A 49 3.525 -7.854 -3.620 1.00 0.29 O ATOM 782 CB LEU A 49 5.045 -8.347 -0.847 1.00 0.23 C ATOM 783 CG LEU A 49 6.019 -9.300 -0.127 1.00 0.23 C ATOM 784 CD1 LEU A 49 5.836 -9.191 1.407 1.00 0.24 C ATOM 785 CD2 LEU A 49 5.769 -10.754 -0.579 1.00 0.26 C ATOM 0 H LEU A 49 7.136 -7.097 -1.363 1.00 0.25 H new ATOM 0 HA LEU A 49 5.645 -9.066 -2.790 1.00 0.24 H new ATOM 0 HB2 LEU A 49 4.994 -7.398 -0.314 1.00 0.23 H new ATOM 0 HB3 LEU A 49 4.041 -8.771 -0.841 1.00 0.23 H new ATOM 0 HG LEU A 49 7.039 -9.016 -0.385 1.00 0.23 H new ATOM 0 HD11 LEU A 49 6.529 -9.869 1.905 1.00 0.24 H new ATOM 0 HD12 LEU A 49 6.037 -8.168 1.726 1.00 0.24 H new ATOM 0 HD13 LEU A 49 4.813 -9.459 1.671 1.00 0.24 H new ATOM 0 HD21 LEU A 49 6.462 -11.419 -0.064 1.00 0.26 H new ATOM 0 HD22 LEU A 49 4.745 -11.039 -0.337 1.00 0.26 H new ATOM 0 HD23 LEU A 49 5.923 -10.832 -1.655 1.00 0.26 H new ATOM 797 N ILE A 50 4.537 -6.002 -3.012 1.00 0.24 N ATOM 798 CA ILE A 50 3.524 -5.169 -3.717 1.00 0.26 C ATOM 799 C ILE A 50 3.780 -5.217 -5.225 1.00 0.27 C ATOM 800 O ILE A 50 2.860 -5.130 -6.015 1.00 0.29 O ATOM 801 CB ILE A 50 3.611 -3.721 -3.218 1.00 0.28 C ATOM 802 CG1 ILE A 50 3.093 -3.654 -1.776 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.754 -2.809 -4.105 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.431 -2.294 -1.153 1.00 0.73 C ATOM 0 H ILE A 50 5.276 -5.482 -2.539 1.00 0.24 H new ATOM 0 HA ILE A 50 2.527 -5.558 -3.511 1.00 0.26 H new ATOM 0 HB ILE A 50 4.648 -3.388 -3.258 1.00 0.28 H new ATOM 0 HG12 ILE A 50 2.014 -3.810 -1.762 1.00 0.32 H new ATOM 0 HG13 ILE A 50 3.539 -4.454 -1.184 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.821 -1.783 -3.744 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.115 -2.857 -5.132 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.716 -3.139 -4.070 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.058 -2.260 -0.129 1.00 0.73 H new ATOM 0 HD12 ILE A 50 4.512 -2.154 -1.150 1.00 0.73 H new ATOM 0 HD13 ILE A 50 2.964 -1.500 -1.736 1.00 0.73 H new ATOM 816 N LYS A 51 5.011 -5.357 -5.644 1.00 0.28 N ATOM 817 CA LYS A 51 5.298 -5.409 -7.105 1.00 0.31 C ATOM 818 C LYS A 51 4.911 -6.783 -7.654 1.00 0.31 C ATOM 819 O LYS A 51 4.926 -7.011 -8.847 1.00 0.36 O ATOM 820 CB LYS A 51 6.794 -5.163 -7.326 1.00 0.37 C ATOM 821 CG LYS A 51 7.160 -3.771 -6.797 1.00 0.72 C ATOM 822 CD LYS A 51 8.685 -3.605 -6.749 1.00 0.79 C ATOM 823 CE LYS A 51 9.244 -3.461 -8.167 1.00 0.87 C ATOM 824 NZ LYS A 51 10.661 -3.003 -8.102 1.00 1.58 N ATOM 0 H LYS A 51 5.827 -5.437 -5.038 1.00 0.28 H new ATOM 0 HA LYS A 51 4.721 -4.644 -7.624 1.00 0.31 H new ATOM 0 HB2 LYS A 51 7.380 -5.926 -6.813 1.00 0.37 H new ATOM 0 HB3 LYS A 51 7.034 -5.237 -8.387 1.00 0.37 H new ATOM 0 HG2 LYS A 51 6.724 -3.005 -7.437 1.00 0.72 H new ATOM 0 HG3 LYS A 51 6.740 -3.631 -5.801 1.00 0.72 H new ATOM 0 HD2 LYS A 51 8.945 -2.728 -6.157 1.00 0.79 H new ATOM 0 HD3 LYS A 51 9.137 -4.466 -6.257 1.00 0.79 H new ATOM 0 HE2 LYS A 51 9.183 -4.415 -8.691 1.00 0.87 H new ATOM 0 HE3 LYS A 51 8.646 -2.747 -8.734 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 11.228 -3.528 -8.799 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 10.707 -1.986 -8.314 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 11.038 -3.176 -7.148 1.00 1.58 H new ATOM 838 N SER A 52 4.560 -7.699 -6.794 1.00 0.32 N ATOM 839 CA SER A 52 4.167 -9.054 -7.270 1.00 0.34 C ATOM 840 C SER A 52 2.869 -8.948 -8.073 1.00 0.35 C ATOM 841 O SER A 52 2.146 -7.977 -7.974 1.00 0.36 O ATOM 842 CB SER A 52 3.950 -9.973 -6.068 1.00 0.36 C ATOM 843 OG SER A 52 3.450 -11.225 -6.518 1.00 1.14 O ATOM 0 H SER A 52 4.529 -7.567 -5.783 1.00 0.32 H new ATOM 0 HA SER A 52 4.955 -9.464 -7.901 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.887 -10.115 -5.530 1.00 0.36 H new ATOM 0 HB3 SER A 52 3.248 -9.518 -5.370 1.00 0.36 H new ATOM 0 HG SER A 52 3.311 -11.817 -5.750 1.00 1.14 H new ATOM 849 N THR A 53 2.569 -9.937 -8.873 1.00 0.38 N ATOM 850 CA THR A 53 1.318 -9.889 -9.687 1.00 0.41 C ATOM 851 C THR A 53 0.154 -10.478 -8.887 1.00 0.40 C ATOM 852 O THR A 53 -0.976 -10.053 -9.019 1.00 0.52 O ATOM 853 CB THR A 53 1.515 -10.698 -10.970 1.00 0.46 C ATOM 854 OG1 THR A 53 1.913 -12.021 -10.638 1.00 0.51 O ATOM 855 CG2 THR A 53 2.595 -10.037 -11.829 1.00 0.49 C ATOM 0 H THR A 53 3.136 -10.776 -8.998 1.00 0.38 H new ATOM 0 HA THR A 53 1.092 -8.853 -9.938 1.00 0.41 H new ATOM 0 HB THR A 53 0.579 -10.731 -11.528 1.00 0.46 H new ATOM 0 HG1 THR A 53 2.038 -12.541 -11.459 1.00 0.51 H new ATOM 0 HG21 THR A 53 2.736 -10.613 -12.743 1.00 0.49 H new ATOM 0 HG22 THR A 53 2.288 -9.023 -12.083 1.00 0.49 H new ATOM 0 HG23 THR A 53 3.532 -10.004 -11.273 1.00 0.49 H new ATOM 863 N ASP A 54 0.414 -11.452 -8.056 1.00 0.39 N ATOM 864 CA ASP A 54 -0.692 -12.053 -7.256 1.00 0.38 C ATOM 865 C ASP A 54 -1.092 -11.090 -6.134 1.00 0.37 C ATOM 866 O ASP A 54 -0.288 -10.353 -5.603 1.00 0.36 O ATOM 867 CB ASP A 54 -0.259 -13.400 -6.672 1.00 0.38 C ATOM 868 CG ASP A 54 0.194 -14.330 -7.799 1.00 1.31 C ATOM 869 OD1 ASP A 54 0.881 -13.858 -8.690 1.00 2.18 O ATOM 870 OD2 ASP A 54 -0.152 -15.499 -7.750 1.00 1.86 O ATOM 0 H ASP A 54 1.337 -11.855 -7.897 1.00 0.39 H new ATOM 0 HA ASP A 54 -1.550 -12.224 -7.906 1.00 0.38 H new ATOM 0 HB2 ASP A 54 0.553 -13.254 -5.960 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -1.086 -13.852 -6.125 1.00 0.38 H new ATOM 875 N VAL A 55 -2.352 -11.114 -5.787 1.00 0.37 N ATOM 876 CA VAL A 55 -2.887 -10.227 -4.712 1.00 0.37 C ATOM 877 C VAL A 55 -2.540 -10.800 -3.335 1.00 0.35 C ATOM 878 O VAL A 55 -2.552 -10.102 -2.341 1.00 0.35 O ATOM 879 CB VAL A 55 -4.409 -10.124 -4.869 1.00 0.39 C ATOM 880 CG1 VAL A 55 -5.077 -11.432 -4.432 1.00 0.42 C ATOM 881 CG2 VAL A 55 -4.933 -8.971 -4.012 1.00 0.40 C ATOM 0 H VAL A 55 -3.048 -11.725 -6.214 1.00 0.37 H new ATOM 0 HA VAL A 55 -2.439 -9.237 -4.796 1.00 0.37 H new ATOM 0 HB VAL A 55 -4.645 -9.940 -5.917 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -6.157 -11.345 -4.548 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -4.710 -12.252 -5.049 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -4.839 -11.630 -3.387 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -6.015 -8.897 -4.123 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -4.687 -9.154 -2.966 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -4.471 -8.038 -4.335 1.00 0.40 H new ATOM 891 N ASN A 56 -2.200 -12.051 -3.279 1.00 0.34 N ATOM 892 CA ASN A 56 -1.822 -12.665 -1.976 1.00 0.34 C ATOM 893 C ASN A 56 -0.621 -11.912 -1.393 1.00 0.31 C ATOM 894 O ASN A 56 -0.622 -11.500 -0.247 1.00 0.31 O ATOM 895 CB ASN A 56 -1.446 -14.130 -2.201 1.00 0.36 C ATOM 896 CG ASN A 56 -2.679 -14.898 -2.685 1.00 1.34 C ATOM 897 OD1 ASN A 56 -3.473 -14.378 -3.443 1.00 2.14 O ATOM 898 ND2 ASN A 56 -2.875 -16.121 -2.274 1.00 2.11 N ATOM 0 H ASN A 56 -2.166 -12.681 -4.081 1.00 0.34 H new ATOM 0 HA ASN A 56 -2.661 -12.606 -1.282 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -0.645 -14.203 -2.937 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -1.070 -14.568 -1.276 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -3.695 -16.640 -2.589 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -2.209 -16.558 -1.637 1.00 2.11 H new ATOM 905 N ASP A 57 0.403 -11.726 -2.177 1.00 0.30 N ATOM 906 CA ASP A 57 1.606 -11.003 -1.679 1.00 0.30 C ATOM 907 C ASP A 57 1.249 -9.542 -1.381 1.00 0.29 C ATOM 908 O ASP A 57 1.715 -8.966 -0.418 1.00 0.28 O ATOM 909 CB ASP A 57 2.702 -11.056 -2.749 1.00 0.33 C ATOM 910 CG ASP A 57 3.333 -12.451 -2.772 1.00 0.42 C ATOM 911 OD1 ASP A 57 2.602 -13.414 -2.605 1.00 1.23 O ATOM 912 OD2 ASP A 57 4.536 -12.532 -2.959 1.00 1.09 O ATOM 0 H ASP A 57 0.459 -12.044 -3.144 1.00 0.30 H new ATOM 0 HA ASP A 57 1.962 -11.476 -0.763 1.00 0.30 H new ATOM 0 HB2 ASP A 57 2.281 -10.820 -3.726 1.00 0.33 H new ATOM 0 HB3 ASP A 57 3.464 -10.305 -2.541 1.00 0.33 H new ATOM 917 N GLU A 58 0.434 -8.935 -2.201 1.00 0.33 N ATOM 918 CA GLU A 58 0.060 -7.510 -1.962 1.00 0.36 C ATOM 919 C GLU A 58 -0.568 -7.359 -0.575 1.00 0.34 C ATOM 920 O GLU A 58 -0.247 -6.451 0.166 1.00 0.34 O ATOM 921 CB GLU A 58 -0.949 -7.058 -3.020 1.00 0.42 C ATOM 922 CG GLU A 58 -0.313 -7.147 -4.410 1.00 0.92 C ATOM 923 CD GLU A 58 -1.145 -6.340 -5.409 1.00 1.66 C ATOM 924 OE1 GLU A 58 -2.096 -6.890 -5.941 1.00 2.45 O ATOM 925 OE2 GLU A 58 -0.817 -5.185 -5.624 1.00 2.21 O ATOM 0 H GLU A 58 0.011 -9.363 -3.025 1.00 0.33 H new ATOM 0 HA GLU A 58 0.958 -6.895 -2.022 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -1.841 -7.683 -2.977 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -1.267 -6.035 -2.820 1.00 0.42 H new ATOM 0 HG2 GLU A 58 0.707 -6.765 -4.379 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -0.254 -8.188 -4.728 1.00 0.92 H new ATOM 932 N ARG A 59 -1.452 -8.246 -0.211 1.00 0.33 N ATOM 933 CA ARG A 59 -2.090 -8.153 1.132 1.00 0.34 C ATOM 934 C ARG A 59 -1.021 -8.328 2.208 1.00 0.30 C ATOM 935 O ARG A 59 -1.157 -7.852 3.317 1.00 0.31 O ATOM 936 CB ARG A 59 -3.141 -9.254 1.281 1.00 0.40 C ATOM 937 CG ARG A 59 -4.286 -9.011 0.297 1.00 0.68 C ATOM 938 CD ARG A 59 -5.322 -10.127 0.439 1.00 0.95 C ATOM 939 NE ARG A 59 -6.384 -9.957 -0.592 1.00 1.62 N ATOM 940 CZ ARG A 59 -7.205 -10.938 -0.852 1.00 2.13 C ATOM 941 NH1 ARG A 59 -7.096 -12.069 -0.209 1.00 2.23 N ATOM 942 NH2 ARG A 59 -8.135 -10.789 -1.755 1.00 3.12 N ATOM 0 H ARG A 59 -1.760 -9.031 -0.785 1.00 0.33 H new ATOM 0 HA ARG A 59 -2.569 -7.180 1.240 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -2.690 -10.228 1.095 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -3.523 -9.269 2.302 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -4.748 -8.043 0.492 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -3.904 -8.982 -0.723 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -4.842 -11.099 0.325 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -5.762 -10.104 1.436 1.00 0.95 H new ATOM 0 HE ARG A 59 -6.470 -9.074 -1.095 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -6.369 -12.186 0.497 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -7.738 -12.835 -0.412 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -8.221 -9.906 -2.258 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -8.776 -11.556 -1.958 1.00 3.12 H new ATOM 956 N LEU A 60 0.050 -8.998 1.883 1.00 0.28 N ATOM 957 CA LEU A 60 1.138 -9.197 2.881 1.00 0.27 C ATOM 958 C LEU A 60 1.870 -7.863 3.096 1.00 0.25 C ATOM 959 O LEU A 60 2.153 -7.469 4.210 1.00 0.26 O ATOM 960 CB LEU A 60 2.115 -10.259 2.337 1.00 0.29 C ATOM 961 CG LEU A 60 2.880 -10.977 3.470 1.00 0.30 C ATOM 962 CD1 LEU A 60 3.426 -9.972 4.490 1.00 0.32 C ATOM 963 CD2 LEU A 60 1.970 -11.984 4.187 1.00 0.34 C ATOM 0 H LEU A 60 0.219 -9.417 0.968 1.00 0.28 H new ATOM 0 HA LEU A 60 0.729 -9.535 3.833 1.00 0.27 H new ATOM 0 HB2 LEU A 60 1.562 -10.993 1.751 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.828 -9.784 1.663 1.00 0.29 H new ATOM 0 HG LEU A 60 3.716 -11.508 3.014 1.00 0.30 H new ATOM 0 HD11 LEU A 60 3.960 -10.505 5.276 1.00 0.32 H new ATOM 0 HD12 LEU A 60 4.107 -9.282 3.992 1.00 0.32 H new ATOM 0 HD13 LEU A 60 2.599 -9.413 4.928 1.00 0.32 H new ATOM 0 HD21 LEU A 60 2.529 -12.478 4.981 1.00 0.34 H new ATOM 0 HD22 LEU A 60 1.115 -11.461 4.616 1.00 0.34 H new ATOM 0 HD23 LEU A 60 1.618 -12.729 3.473 1.00 0.34 H new ATOM 975 N GLY A 61 2.180 -7.170 2.034 1.00 0.22 N ATOM 976 CA GLY A 61 2.901 -5.870 2.172 1.00 0.21 C ATOM 977 C GLY A 61 2.033 -4.864 2.932 1.00 0.20 C ATOM 978 O GLY A 61 2.506 -4.155 3.799 1.00 0.21 O ATOM 0 H GLY A 61 1.966 -7.447 1.076 1.00 0.22 H new ATOM 0 HA2 GLY A 61 3.842 -6.022 2.700 1.00 0.21 H new ATOM 0 HA3 GLY A 61 3.149 -5.476 1.186 1.00 0.21 H new ATOM 982 N VAL A 62 0.770 -4.791 2.616 1.00 0.20 N ATOM 983 CA VAL A 62 -0.119 -3.826 3.323 1.00 0.21 C ATOM 984 C VAL A 62 -0.094 -4.138 4.823 1.00 0.22 C ATOM 985 O VAL A 62 -0.001 -3.254 5.652 1.00 0.25 O ATOM 986 CB VAL A 62 -1.553 -3.962 2.757 1.00 0.23 C ATOM 987 CG1 VAL A 62 -2.603 -3.645 3.834 1.00 0.28 C ATOM 988 CG2 VAL A 62 -1.733 -2.998 1.576 1.00 0.31 C ATOM 0 H VAL A 62 0.315 -5.357 1.900 1.00 0.20 H new ATOM 0 HA VAL A 62 0.223 -2.802 3.172 1.00 0.21 H new ATOM 0 HB VAL A 62 -1.694 -4.991 2.426 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -3.602 -3.748 3.410 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -2.490 -4.338 4.668 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -2.463 -2.624 4.189 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -2.743 -3.095 1.178 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -1.573 -1.974 1.914 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -1.011 -3.240 0.796 1.00 0.31 H new ATOM 998 N LYS A 63 -0.189 -5.386 5.170 1.00 0.24 N ATOM 999 CA LYS A 63 -0.184 -5.766 6.607 1.00 0.28 C ATOM 1000 C LYS A 63 1.140 -5.347 7.251 1.00 0.26 C ATOM 1001 O LYS A 63 1.175 -4.903 8.382 1.00 0.29 O ATOM 1002 CB LYS A 63 -0.361 -7.278 6.711 1.00 0.33 C ATOM 1003 CG LYS A 63 -0.619 -7.670 8.171 1.00 0.47 C ATOM 1004 CD LYS A 63 -0.673 -9.201 8.310 1.00 0.58 C ATOM 1005 CE LYS A 63 -2.055 -9.722 7.898 1.00 1.60 C ATOM 1006 NZ LYS A 63 -3.091 -9.153 8.805 1.00 2.36 N ATOM 0 H LYS A 63 -0.270 -6.165 4.517 1.00 0.24 H new ATOM 0 HA LYS A 63 -0.998 -5.262 7.129 1.00 0.28 H new ATOM 0 HB2 LYS A 63 -1.194 -7.600 6.086 1.00 0.33 H new ATOM 0 HB3 LYS A 63 0.530 -7.784 6.341 1.00 0.33 H new ATOM 0 HG2 LYS A 63 0.169 -7.268 8.808 1.00 0.47 H new ATOM 0 HG3 LYS A 63 -1.558 -7.234 8.512 1.00 0.47 H new ATOM 0 HD2 LYS A 63 0.096 -9.657 7.687 1.00 0.58 H new ATOM 0 HD3 LYS A 63 -0.461 -9.488 9.340 1.00 0.58 H new ATOM 0 HE2 LYS A 63 -2.268 -9.444 6.866 1.00 1.60 H new ATOM 0 HE3 LYS A 63 -2.074 -10.811 7.945 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 -3.896 -9.808 8.867 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 -2.685 -9.014 9.752 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 -3.417 -8.239 8.430 1.00 2.36 H new ATOM 1020 N ILE A 64 2.228 -5.476 6.543 1.00 0.25 N ATOM 1021 CA ILE A 64 3.542 -5.077 7.120 1.00 0.25 C ATOM 1022 C ILE A 64 3.635 -3.547 7.148 1.00 0.22 C ATOM 1023 O ILE A 64 4.022 -2.956 8.137 1.00 0.22 O ATOM 1024 CB ILE A 64 4.674 -5.656 6.255 1.00 0.28 C ATOM 1025 CG1 ILE A 64 4.793 -7.160 6.520 1.00 0.33 C ATOM 1026 CG2 ILE A 64 6.005 -4.969 6.600 1.00 0.32 C ATOM 1027 CD1 ILE A 64 5.785 -7.781 5.534 1.00 0.35 C ATOM 0 H ILE A 64 2.264 -5.840 5.591 1.00 0.25 H new ATOM 0 HA ILE A 64 3.635 -5.462 8.135 1.00 0.25 H new ATOM 0 HB ILE A 64 4.447 -5.482 5.203 1.00 0.28 H new ATOM 0 HG12 ILE A 64 5.126 -7.333 7.543 1.00 0.33 H new ATOM 0 HG13 ILE A 64 3.818 -7.635 6.417 1.00 0.33 H new ATOM 0 HG21 ILE A 64 6.800 -5.386 5.982 1.00 0.32 H new ATOM 0 HG22 ILE A 64 5.922 -3.899 6.411 1.00 0.32 H new ATOM 0 HG23 ILE A 64 6.238 -5.135 7.652 1.00 0.32 H new ATOM 0 HD11 ILE A 64 5.867 -8.851 5.726 1.00 0.35 H new ATOM 0 HD12 ILE A 64 5.433 -7.621 4.515 1.00 0.35 H new ATOM 0 HD13 ILE A 64 6.762 -7.314 5.658 1.00 0.35 H new ATOM 1039 N LEU A 65 3.288 -2.904 6.068 1.00 0.20 N ATOM 1040 CA LEU A 65 3.362 -1.417 6.027 1.00 0.19 C ATOM 1041 C LEU A 65 2.519 -0.823 7.158 1.00 0.19 C ATOM 1042 O LEU A 65 2.830 0.230 7.680 1.00 0.20 O ATOM 1043 CB LEU A 65 2.839 -0.904 4.678 1.00 0.22 C ATOM 1044 CG LEU A 65 3.878 -1.157 3.568 1.00 0.29 C ATOM 1045 CD1 LEU A 65 3.181 -1.152 2.205 1.00 0.69 C ATOM 1046 CD2 LEU A 65 4.952 -0.057 3.573 1.00 0.42 C ATOM 0 H LEU A 65 2.956 -3.345 5.210 1.00 0.20 H new ATOM 0 HA LEU A 65 4.401 -1.112 6.151 1.00 0.19 H new ATOM 0 HB2 LEU A 65 1.903 -1.404 4.430 1.00 0.22 H new ATOM 0 HB3 LEU A 65 2.622 0.162 4.746 1.00 0.22 H new ATOM 0 HG LEU A 65 4.349 -2.123 3.751 1.00 0.29 H new ATOM 0 HD11 LEU A 65 3.916 -1.331 1.420 1.00 0.69 H new ATOM 0 HD12 LEU A 65 2.425 -1.937 2.180 1.00 0.69 H new ATOM 0 HD13 LEU A 65 2.705 -0.185 2.043 1.00 0.69 H new ATOM 0 HD21 LEU A 65 5.677 -0.253 2.783 1.00 0.42 H new ATOM 0 HD22 LEU A 65 4.482 0.911 3.403 1.00 0.42 H new ATOM 0 HD23 LEU A 65 5.460 -0.049 4.537 1.00 0.42 H new ATOM 1058 N THR A 66 1.467 -1.487 7.558 1.00 0.21 N ATOM 1059 CA THR A 66 0.628 -0.954 8.661 1.00 0.25 C ATOM 1060 C THR A 66 1.287 -1.278 10.003 1.00 0.28 C ATOM 1061 O THR A 66 1.127 -0.565 10.974 1.00 0.31 O ATOM 1062 CB THR A 66 -0.751 -1.609 8.603 1.00 0.29 C ATOM 1063 OG1 THR A 66 -1.239 -1.566 7.269 1.00 0.43 O ATOM 1064 CG2 THR A 66 -1.706 -0.855 9.522 1.00 0.36 C ATOM 0 H THR A 66 1.156 -2.376 7.166 1.00 0.21 H new ATOM 0 HA THR A 66 0.527 0.126 8.557 1.00 0.25 H new ATOM 0 HB THR A 66 -0.678 -2.647 8.927 1.00 0.29 H new ATOM 0 HG1 THR A 66 -0.744 -2.208 6.719 1.00 0.43 H new ATOM 0 HG21 THR A 66 -2.691 -1.320 9.483 1.00 0.36 H new ATOM 0 HG22 THR A 66 -1.329 -0.888 10.544 1.00 0.36 H new ATOM 0 HG23 THR A 66 -1.781 0.183 9.196 1.00 0.36 H new ATOM 1072 N ASP A 67 2.053 -2.334 10.055 1.00 0.29 N ATOM 1073 CA ASP A 67 2.745 -2.684 11.325 1.00 0.34 C ATOM 1074 C ASP A 67 3.939 -1.746 11.492 1.00 0.32 C ATOM 1075 O ASP A 67 4.152 -1.174 12.543 1.00 0.35 O ATOM 1076 CB ASP A 67 3.226 -4.136 11.267 1.00 0.40 C ATOM 1077 CG ASP A 67 3.876 -4.516 12.600 1.00 1.30 C ATOM 1078 OD1 ASP A 67 3.738 -3.754 13.542 1.00 1.94 O ATOM 1079 OD2 ASP A 67 4.500 -5.563 12.655 1.00 2.12 O ATOM 0 H ASP A 67 2.228 -2.967 9.275 1.00 0.29 H new ATOM 0 HA ASP A 67 2.064 -2.577 12.169 1.00 0.34 H new ATOM 0 HB2 ASP A 67 2.387 -4.799 11.058 1.00 0.40 H new ATOM 0 HB3 ASP A 67 3.941 -4.261 10.454 1.00 0.40 H new ATOM 1084 N ILE A 68 4.719 -1.577 10.456 1.00 0.30 N ATOM 1085 CA ILE A 68 5.896 -0.669 10.538 1.00 0.29 C ATOM 1086 C ILE A 68 5.406 0.774 10.694 1.00 0.27 C ATOM 1087 O ILE A 68 6.048 1.599 11.309 1.00 0.31 O ATOM 1088 CB ILE A 68 6.720 -0.800 9.252 1.00 0.30 C ATOM 1089 CG1 ILE A 68 7.176 -2.255 9.091 1.00 0.34 C ATOM 1090 CG2 ILE A 68 7.944 0.116 9.328 1.00 0.33 C ATOM 1091 CD1 ILE A 68 7.816 -2.449 7.714 1.00 0.35 C ATOM 0 H ILE A 68 4.588 -2.033 9.553 1.00 0.30 H new ATOM 0 HA ILE A 68 6.515 -0.936 11.394 1.00 0.29 H new ATOM 0 HB ILE A 68 6.109 -0.511 8.397 1.00 0.30 H new ATOM 0 HG12 ILE A 68 7.891 -2.510 9.873 1.00 0.34 H new ATOM 0 HG13 ILE A 68 6.325 -2.927 9.205 1.00 0.34 H new ATOM 0 HG21 ILE A 68 8.527 0.020 8.412 1.00 0.33 H new ATOM 0 HG22 ILE A 68 7.618 1.150 9.444 1.00 0.33 H new ATOM 0 HG23 ILE A 68 8.559 -0.169 10.182 1.00 0.33 H new ATOM 0 HD11 ILE A 68 8.138 -3.485 7.605 1.00 0.35 H new ATOM 0 HD12 ILE A 68 7.088 -2.212 6.938 1.00 0.35 H new ATOM 0 HD13 ILE A 68 8.678 -1.789 7.617 1.00 0.35 H new ATOM 1103 N TYR A 69 4.257 1.071 10.153 1.00 0.26 N ATOM 1104 CA TYR A 69 3.703 2.451 10.276 1.00 0.26 C ATOM 1105 C TYR A 69 3.347 2.708 11.744 1.00 0.28 C ATOM 1106 O TYR A 69 3.658 3.740 12.304 1.00 0.34 O ATOM 1107 CB TYR A 69 2.446 2.570 9.398 1.00 0.29 C ATOM 1108 CG TYR A 69 1.497 3.621 9.943 1.00 0.27 C ATOM 1109 CD1 TYR A 69 0.569 3.271 10.931 1.00 1.22 C ATOM 1110 CD2 TYR A 69 1.548 4.936 9.465 1.00 1.25 C ATOM 1111 CE1 TYR A 69 -0.309 4.233 11.441 1.00 1.23 C ATOM 1112 CE2 TYR A 69 0.669 5.900 9.976 1.00 1.28 C ATOM 1113 CZ TYR A 69 -0.260 5.548 10.964 1.00 0.38 C ATOM 1114 OH TYR A 69 -1.125 6.497 11.468 1.00 0.47 O ATOM 0 H TYR A 69 3.676 0.417 9.629 1.00 0.26 H new ATOM 0 HA TYR A 69 4.437 3.186 9.946 1.00 0.26 H new ATOM 0 HB2 TYR A 69 2.734 2.829 8.379 1.00 0.29 H new ATOM 0 HB3 TYR A 69 1.939 1.606 9.351 1.00 0.29 H new ATOM 0 HD1 TYR A 69 0.531 2.257 11.300 1.00 1.22 H new ATOM 0 HD2 TYR A 69 2.264 5.207 8.703 1.00 1.25 H new ATOM 0 HE1 TYR A 69 -1.025 3.961 12.203 1.00 1.23 H new ATOM 0 HE2 TYR A 69 0.708 6.915 9.608 1.00 1.28 H new ATOM 0 HH TYR A 69 -0.958 7.358 11.030 1.00 0.47 H new ATOM 1124 N LYS A 70 2.673 1.777 12.351 1.00 0.31 N ATOM 1125 CA LYS A 70 2.255 1.944 13.768 1.00 0.38 C ATOM 1126 C LYS A 70 3.463 1.804 14.699 1.00 0.38 C ATOM 1127 O LYS A 70 3.458 2.303 15.807 1.00 0.45 O ATOM 1128 CB LYS A 70 1.217 0.864 14.099 1.00 0.50 C ATOM 1129 CG LYS A 70 0.391 1.286 15.322 1.00 0.79 C ATOM 1130 CD LYS A 70 -0.590 0.164 15.712 1.00 0.88 C ATOM 1131 CE LYS A 70 -1.863 0.250 14.862 1.00 1.50 C ATOM 1132 NZ LYS A 70 -2.568 1.532 15.151 1.00 2.26 N ATOM 0 H LYS A 70 2.390 0.896 11.921 1.00 0.31 H new ATOM 0 HA LYS A 70 1.825 2.936 13.909 1.00 0.38 H new ATOM 0 HB2 LYS A 70 0.560 0.705 13.244 1.00 0.50 H new ATOM 0 HB3 LYS A 70 1.717 -0.084 14.297 1.00 0.50 H new ATOM 0 HG2 LYS A 70 1.053 1.508 16.159 1.00 0.79 H new ATOM 0 HG3 LYS A 70 -0.160 2.200 15.101 1.00 0.79 H new ATOM 0 HD2 LYS A 70 -0.116 -0.808 15.572 1.00 0.88 H new ATOM 0 HD3 LYS A 70 -0.844 0.245 16.769 1.00 0.88 H new ATOM 0 HE2 LYS A 70 -1.611 0.192 13.803 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -2.517 -0.594 15.081 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -3.591 1.403 15.018 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -2.380 1.818 16.133 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 -2.225 2.270 14.504 1.00 2.26 H new ATOM 1146 N GLU A 71 4.495 1.121 14.268 1.00 0.40 N ATOM 1147 CA GLU A 71 5.698 0.935 15.140 1.00 0.52 C ATOM 1148 C GLU A 71 6.802 1.925 14.752 1.00 0.55 C ATOM 1149 O GLU A 71 7.572 2.358 15.586 1.00 1.13 O ATOM 1150 CB GLU A 71 6.221 -0.494 14.960 1.00 0.63 C ATOM 1151 CG GLU A 71 7.210 -0.825 16.081 1.00 0.99 C ATOM 1152 CD GLU A 71 6.452 -1.007 17.398 1.00 1.55 C ATOM 1153 OE1 GLU A 71 5.692 -1.957 17.495 1.00 2.27 O ATOM 1154 OE2 GLU A 71 6.645 -0.194 18.287 1.00 2.13 O ATOM 0 H GLU A 71 4.557 0.683 13.349 1.00 0.40 H new ATOM 0 HA GLU A 71 5.417 1.112 16.178 1.00 0.52 H new ATOM 0 HB2 GLU A 71 5.391 -1.200 14.974 1.00 0.63 H new ATOM 0 HB3 GLU A 71 6.708 -0.594 13.990 1.00 0.63 H new ATOM 0 HG2 GLU A 71 7.760 -1.734 15.838 1.00 0.99 H new ATOM 0 HG3 GLU A 71 7.944 -0.025 16.180 1.00 0.99 H new ATOM 1161 N ALA A 72 6.896 2.278 13.490 1.00 0.59 N ATOM 1162 CA ALA A 72 7.965 3.230 13.038 1.00 0.57 C ATOM 1163 C ALA A 72 7.353 4.593 12.705 1.00 0.65 C ATOM 1164 O ALA A 72 7.011 4.871 11.573 1.00 1.23 O ATOM 1165 CB ALA A 72 8.648 2.663 11.790 1.00 0.60 C ATOM 0 H ALA A 72 6.276 1.947 12.751 1.00 0.59 H new ATOM 0 HA ALA A 72 8.694 3.355 13.839 1.00 0.57 H new ATOM 0 HB1 ALA A 72 9.426 3.350 11.457 1.00 0.60 H new ATOM 0 HB2 ALA A 72 9.094 1.697 12.027 1.00 0.60 H new ATOM 0 HB3 ALA A 72 7.911 2.537 10.997 1.00 0.60 H new ATOM 1171 N GLU A 73 7.212 5.446 13.683 1.00 0.71 N ATOM 1172 CA GLU A 73 6.624 6.791 13.419 1.00 0.77 C ATOM 1173 C GLU A 73 7.383 7.476 12.278 1.00 0.65 C ATOM 1174 O GLU A 73 7.038 7.310 11.131 1.00 1.06 O ATOM 1175 CB GLU A 73 6.713 7.649 14.682 1.00 1.08 C ATOM 1176 CG GLU A 73 5.778 7.080 15.751 1.00 1.79 C ATOM 1177 CD GLU A 73 4.323 7.309 15.336 1.00 2.15 C ATOM 1178 OE1 GLU A 73 3.859 8.429 15.469 1.00 2.60 O ATOM 1179 OE2 GLU A 73 3.697 6.359 14.894 1.00 2.62 O ATOM 0 H GLU A 73 7.478 5.270 14.652 1.00 0.71 H new ATOM 0 HA GLU A 73 5.578 6.674 13.134 1.00 0.77 H new ATOM 0 HB2 GLU A 73 7.738 7.666 15.052 1.00 1.08 H new ATOM 0 HB3 GLU A 73 6.439 8.679 14.455 1.00 1.08 H new ATOM 0 HG2 GLU A 73 5.966 6.014 15.883 1.00 1.79 H new ATOM 0 HG3 GLU A 73 5.973 7.559 16.711 1.00 1.79 H new ATOM 1186 N SER A 74 8.403 8.251 12.596 1.00 0.75 N ATOM 1187 CA SER A 74 9.209 8.983 11.552 1.00 0.62 C ATOM 1188 C SER A 74 9.089 8.329 10.169 1.00 0.55 C ATOM 1189 O SER A 74 8.858 8.994 9.179 1.00 0.63 O ATOM 1190 CB SER A 74 10.679 8.991 11.970 1.00 0.82 C ATOM 1191 OG SER A 74 10.790 9.516 13.286 1.00 1.55 O ATOM 0 H SER A 74 8.717 8.410 13.554 1.00 0.75 H new ATOM 0 HA SER A 74 8.818 9.998 11.480 1.00 0.62 H new ATOM 0 HB2 SER A 74 11.085 7.980 11.934 1.00 0.82 H new ATOM 0 HB3 SER A 74 11.263 9.594 11.275 1.00 0.82 H new ATOM 0 HG SER A 74 11.732 9.521 13.558 1.00 1.55 H new ATOM 1197 N ARG A 75 9.232 7.035 10.092 1.00 0.48 N ATOM 1198 CA ARG A 75 9.114 6.350 8.772 1.00 0.45 C ATOM 1199 C ARG A 75 7.649 6.376 8.315 1.00 0.42 C ATOM 1200 O ARG A 75 7.204 5.519 7.577 1.00 0.50 O ATOM 1201 CB ARG A 75 9.601 4.892 8.918 1.00 0.52 C ATOM 1202 CG ARG A 75 10.171 4.367 7.579 1.00 0.81 C ATOM 1203 CD ARG A 75 11.693 4.579 7.527 1.00 1.10 C ATOM 1204 NE ARG A 75 12.043 5.884 8.158 1.00 1.49 N ATOM 1205 CZ ARG A 75 13.278 6.143 8.487 1.00 2.08 C ATOM 1206 NH1 ARG A 75 14.211 5.256 8.274 1.00 2.63 N ATOM 1207 NH2 ARG A 75 13.580 7.291 9.031 1.00 2.72 N ATOM 0 H ARG A 75 9.425 6.422 10.884 1.00 0.48 H new ATOM 0 HA ARG A 75 9.725 6.861 8.028 1.00 0.45 H new ATOM 0 HB2 ARG A 75 10.367 4.835 9.692 1.00 0.52 H new ATOM 0 HB3 ARG A 75 8.775 4.258 9.240 1.00 0.52 H new ATOM 0 HG2 ARG A 75 9.941 3.307 7.468 1.00 0.81 H new ATOM 0 HG3 ARG A 75 9.696 4.885 6.746 1.00 0.81 H new ATOM 0 HD2 ARG A 75 12.201 3.766 8.046 1.00 1.10 H new ATOM 0 HD3 ARG A 75 12.037 4.561 6.493 1.00 1.10 H new ATOM 0 HE ARG A 75 11.314 6.576 8.333 1.00 1.49 H new ATOM 0 HH11 ARG A 75 13.975 4.359 7.850 1.00 2.63 H new ATOM 0 HH12 ARG A 75 15.177 5.460 8.532 1.00 2.63 H new ATOM 0 HH21 ARG A 75 12.850 7.984 9.198 1.00 2.72 H new ATOM 0 HH22 ARG A 75 14.546 7.495 9.289 1.00 2.72 H new ATOM 1221 N ARG A 76 6.900 7.354 8.749 1.00 0.41 N ATOM 1222 CA ARG A 76 5.469 7.447 8.351 1.00 0.47 C ATOM 1223 C ARG A 76 5.363 7.935 6.902 1.00 0.43 C ATOM 1224 O ARG A 76 4.541 7.472 6.138 1.00 0.45 O ATOM 1225 CB ARG A 76 4.757 8.442 9.284 1.00 0.57 C ATOM 1226 CG ARG A 76 3.247 8.205 9.247 1.00 1.08 C ATOM 1227 CD ARG A 76 2.523 9.370 9.929 1.00 1.14 C ATOM 1228 NE ARG A 76 2.837 9.369 11.386 1.00 1.76 N ATOM 1229 CZ ARG A 76 2.570 10.420 12.113 1.00 2.01 C ATOM 1230 NH1 ARG A 76 2.033 11.475 11.563 1.00 1.55 N ATOM 1231 NH2 ARG A 76 2.839 10.416 13.390 1.00 3.05 N ATOM 0 H ARG A 76 7.223 8.098 9.368 1.00 0.41 H new ATOM 0 HA ARG A 76 5.002 6.465 8.429 1.00 0.47 H new ATOM 0 HB2 ARG A 76 5.127 8.326 10.303 1.00 0.57 H new ATOM 0 HB3 ARG A 76 4.981 9.464 8.978 1.00 0.57 H new ATOM 0 HG2 ARG A 76 2.910 8.109 8.215 1.00 1.08 H new ATOM 0 HG3 ARG A 76 3.004 7.269 9.750 1.00 1.08 H new ATOM 0 HD2 ARG A 76 2.831 10.315 9.481 1.00 1.14 H new ATOM 0 HD3 ARG A 76 1.447 9.281 9.778 1.00 1.14 H new ATOM 0 HE ARG A 76 3.261 8.547 11.815 1.00 1.76 H new ATOM 0 HH11 ARG A 76 1.822 11.478 10.565 1.00 1.55 H new ATOM 0 HH12 ARG A 76 1.824 12.296 12.131 1.00 1.55 H new ATOM 0 HH21 ARG A 76 3.258 9.592 13.820 1.00 3.05 H new ATOM 0 HH22 ARG A 76 2.630 11.237 13.958 1.00 3.05 H new ATOM 1245 N ARG A 77 6.178 8.884 6.529 1.00 0.40 N ATOM 1246 CA ARG A 77 6.115 9.427 5.141 1.00 0.43 C ATOM 1247 C ARG A 77 6.241 8.290 4.121 1.00 0.39 C ATOM 1248 O ARG A 77 5.452 8.182 3.204 1.00 0.39 O ATOM 1249 CB ARG A 77 7.259 10.429 4.932 1.00 0.48 C ATOM 1250 CG ARG A 77 6.946 11.753 5.648 1.00 1.10 C ATOM 1251 CD ARG A 77 7.025 11.565 7.170 1.00 1.24 C ATOM 1252 NE ARG A 77 7.058 12.903 7.851 1.00 1.80 N ATOM 1253 CZ ARG A 77 7.998 13.779 7.609 1.00 2.30 C ATOM 1254 NH1 ARG A 77 9.029 13.460 6.876 1.00 2.43 N ATOM 1255 NH2 ARG A 77 7.928 14.967 8.144 1.00 3.22 N ATOM 0 H ARG A 77 6.887 9.308 7.127 1.00 0.40 H new ATOM 0 HA ARG A 77 5.157 9.926 4.999 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.191 10.012 5.314 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.404 10.609 3.867 1.00 0.48 H new ATOM 0 HG2 ARG A 77 7.652 12.521 5.332 1.00 1.10 H new ATOM 0 HG3 ARG A 77 5.951 12.100 5.368 1.00 1.10 H new ATOM 0 HD2 ARG A 77 6.167 10.991 7.519 1.00 1.24 H new ATOM 0 HD3 ARG A 77 7.917 10.994 7.429 1.00 1.24 H new ATOM 0 HE ARG A 77 6.326 13.135 8.522 1.00 1.80 H new ATOM 0 HH11 ARG A 77 9.107 12.521 6.486 1.00 2.43 H new ATOM 0 HH12 ARG A 77 9.757 14.150 6.693 1.00 2.43 H new ATOM 0 HH21 ARG A 77 7.142 15.209 8.748 1.00 3.22 H new ATOM 0 HH22 ARG A 77 8.659 15.654 7.958 1.00 3.22 H new ATOM 1269 N GLU A 78 7.228 7.450 4.262 1.00 0.36 N ATOM 1270 CA GLU A 78 7.397 6.336 3.284 1.00 0.36 C ATOM 1271 C GLU A 78 6.200 5.386 3.363 1.00 0.30 C ATOM 1272 O GLU A 78 5.820 4.770 2.389 1.00 0.32 O ATOM 1273 CB GLU A 78 8.681 5.566 3.606 1.00 0.40 C ATOM 1274 CG GLU A 78 9.896 6.456 3.334 1.00 0.91 C ATOM 1275 CD GLU A 78 9.941 7.587 4.363 1.00 1.56 C ATOM 1276 OE1 GLU A 78 9.819 7.294 5.541 1.00 2.33 O ATOM 1277 OE2 GLU A 78 10.098 8.726 3.956 1.00 2.13 O ATOM 0 H GLU A 78 7.923 7.485 5.008 1.00 0.36 H new ATOM 0 HA GLU A 78 7.460 6.750 2.277 1.00 0.36 H new ATOM 0 HB2 GLU A 78 8.675 5.250 4.649 1.00 0.40 H new ATOM 0 HB3 GLU A 78 8.737 4.662 2.999 1.00 0.40 H new ATOM 0 HG2 GLU A 78 10.811 5.866 3.386 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.840 6.869 2.327 1.00 0.91 H new ATOM 1284 N CYS A 79 5.615 5.244 4.519 1.00 0.27 N ATOM 1285 CA CYS A 79 4.458 4.315 4.656 1.00 0.25 C ATOM 1286 C CYS A 79 3.211 4.905 3.987 1.00 0.23 C ATOM 1287 O CYS A 79 2.543 4.248 3.214 1.00 0.24 O ATOM 1288 CB CYS A 79 4.170 4.078 6.137 1.00 0.29 C ATOM 1289 SG CYS A 79 5.586 3.253 6.905 1.00 1.19 S ATOM 0 H CYS A 79 5.887 5.730 5.374 1.00 0.27 H new ATOM 0 HA CYS A 79 4.707 3.373 4.168 1.00 0.25 H new ATOM 0 HB2 CYS A 79 3.974 5.027 6.636 1.00 0.29 H new ATOM 0 HB3 CYS A 79 3.274 3.467 6.251 1.00 0.29 H new ATOM 0 HG CYS A 79 6.585 4.082 6.975 1.00 1.19 H new ATOM 1295 N LEU A 80 2.881 6.131 4.290 1.00 0.23 N ATOM 1296 CA LEU A 80 1.664 6.749 3.683 1.00 0.23 C ATOM 1297 C LEU A 80 1.730 6.664 2.157 1.00 0.21 C ATOM 1298 O LEU A 80 0.764 6.320 1.506 1.00 0.21 O ATOM 1299 CB LEU A 80 1.575 8.220 4.100 1.00 0.26 C ATOM 1300 CG LEU A 80 1.485 8.327 5.629 1.00 0.27 C ATOM 1301 CD1 LEU A 80 1.815 9.758 6.063 1.00 0.34 C ATOM 1302 CD2 LEU A 80 0.071 7.968 6.109 1.00 0.42 C ATOM 0 H LEU A 80 3.400 6.732 4.931 1.00 0.23 H new ATOM 0 HA LEU A 80 0.785 6.209 4.034 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.449 8.762 3.740 1.00 0.26 H new ATOM 0 HB3 LEU A 80 0.701 8.684 3.643 1.00 0.26 H new ATOM 0 HG LEU A 80 2.198 7.631 6.070 1.00 0.27 H new ATOM 0 HD11 LEU A 80 1.751 9.833 7.149 1.00 0.34 H new ATOM 0 HD12 LEU A 80 2.825 10.012 5.741 1.00 0.34 H new ATOM 0 HD13 LEU A 80 1.105 10.449 5.609 1.00 0.34 H new ATOM 0 HD21 LEU A 80 0.024 8.049 7.195 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -0.650 8.653 5.663 1.00 0.42 H new ATOM 0 HD23 LEU A 80 -0.166 6.947 5.811 1.00 0.42 H new ATOM 1314 N TYR A 81 2.855 6.973 1.579 1.00 0.22 N ATOM 1315 CA TYR A 81 2.966 6.909 0.095 1.00 0.23 C ATOM 1316 C TYR A 81 2.864 5.449 -0.358 1.00 0.22 C ATOM 1317 O TYR A 81 2.153 5.125 -1.289 1.00 0.22 O ATOM 1318 CB TYR A 81 4.311 7.500 -0.337 1.00 0.26 C ATOM 1319 CG TYR A 81 4.335 7.678 -1.838 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.652 8.751 -2.425 1.00 1.26 C ATOM 1321 CD2 TYR A 81 5.043 6.776 -2.643 1.00 1.05 C ATOM 1322 CE1 TYR A 81 3.677 8.921 -3.814 1.00 1.31 C ATOM 1323 CE2 TYR A 81 5.066 6.946 -4.033 1.00 1.04 C ATOM 1324 CZ TYR A 81 4.383 8.019 -4.618 1.00 0.46 C ATOM 1325 OH TYR A 81 4.407 8.188 -5.988 1.00 0.55 O ATOM 0 H TYR A 81 3.701 7.267 2.067 1.00 0.22 H new ATOM 0 HA TYR A 81 2.160 7.482 -0.363 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.471 8.460 0.155 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.124 6.843 -0.027 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.106 9.447 -1.806 1.00 1.26 H new ATOM 0 HD2 TYR A 81 5.571 5.949 -2.191 1.00 1.05 H new ATOM 0 HE1 TYR A 81 3.151 9.749 -4.266 1.00 1.31 H new ATOM 0 HE2 TYR A 81 5.610 6.250 -4.653 1.00 1.04 H new ATOM 0 HH TYR A 81 5.218 7.777 -6.354 1.00 0.55 H new ATOM 1335 N TYR A 82 3.581 4.569 0.285 1.00 0.23 N ATOM 1336 CA TYR A 82 3.541 3.128 -0.110 1.00 0.23 C ATOM 1337 C TYR A 82 2.160 2.523 0.193 1.00 0.22 C ATOM 1338 O TYR A 82 1.671 1.694 -0.548 1.00 0.24 O ATOM 1339 CB TYR A 82 4.619 2.358 0.674 1.00 0.25 C ATOM 1340 CG TYR A 82 5.971 2.511 0.001 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.496 3.786 -0.242 1.00 1.13 C ATOM 1342 CD2 TYR A 82 6.701 1.374 -0.377 1.00 1.30 C ATOM 1343 CE1 TYR A 82 7.744 3.926 -0.860 1.00 1.12 C ATOM 1344 CE2 TYR A 82 7.949 1.517 -0.995 1.00 1.33 C ATOM 1345 CZ TYR A 82 8.470 2.792 -1.236 1.00 0.31 C ATOM 1346 OH TYR A 82 9.701 2.931 -1.843 1.00 0.36 O ATOM 0 H TYR A 82 4.196 4.784 1.070 1.00 0.23 H new ATOM 0 HA TYR A 82 3.730 3.050 -1.181 1.00 0.23 H new ATOM 0 HB2 TYR A 82 4.670 2.731 1.697 1.00 0.25 H new ATOM 0 HB3 TYR A 82 4.352 1.303 0.732 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.937 4.663 0.048 1.00 1.13 H new ATOM 0 HD2 TYR A 82 6.300 0.389 -0.191 1.00 1.30 H new ATOM 0 HE1 TYR A 82 8.146 4.911 -1.047 1.00 1.12 H new ATOM 0 HE2 TYR A 82 8.510 0.641 -1.286 1.00 1.33 H new ATOM 0 HH TYR A 82 10.071 2.045 -2.038 1.00 0.36 H new ATOM 1356 N LEU A 83 1.519 2.928 1.259 1.00 0.21 N ATOM 1357 CA LEU A 83 0.176 2.360 1.564 1.00 0.20 C ATOM 1358 C LEU A 83 -0.790 2.778 0.463 1.00 0.20 C ATOM 1359 O LEU A 83 -1.644 2.015 0.058 1.00 0.25 O ATOM 1360 CB LEU A 83 -0.319 2.889 2.918 1.00 0.20 C ATOM 1361 CG LEU A 83 0.396 2.156 4.072 1.00 0.22 C ATOM 1362 CD1 LEU A 83 0.360 3.026 5.333 1.00 0.24 C ATOM 1363 CD2 LEU A 83 -0.303 0.822 4.374 1.00 0.25 C ATOM 0 H LEU A 83 1.864 3.620 1.924 1.00 0.21 H new ATOM 0 HA LEU A 83 0.236 1.273 1.614 1.00 0.20 H new ATOM 0 HB2 LEU A 83 -0.133 3.961 2.988 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -1.397 2.747 3.000 1.00 0.20 H new ATOM 0 HG LEU A 83 1.427 1.965 3.775 1.00 0.22 H new ATOM 0 HD11 LEU A 83 0.865 2.507 6.148 1.00 0.24 H new ATOM 0 HD12 LEU A 83 0.865 3.972 5.137 1.00 0.24 H new ATOM 0 HD13 LEU A 83 -0.676 3.219 5.613 1.00 0.24 H new ATOM 0 HD21 LEU A 83 0.214 0.317 5.190 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -1.338 1.010 4.660 1.00 0.25 H new ATOM 0 HD23 LEU A 83 -0.282 0.191 3.486 1.00 0.25 H new ATOM 1375 N THR A 84 -0.662 3.974 -0.041 1.00 0.19 N ATOM 1376 CA THR A 84 -1.571 4.421 -1.126 1.00 0.19 C ATOM 1377 C THR A 84 -1.391 3.502 -2.336 1.00 0.22 C ATOM 1378 O THR A 84 -2.343 3.119 -2.986 1.00 0.24 O ATOM 1379 CB THR A 84 -1.204 5.860 -1.505 1.00 0.20 C ATOM 1380 OG1 THR A 84 -1.174 6.662 -0.332 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.238 6.420 -2.478 1.00 0.18 C ATOM 0 H THR A 84 0.034 4.659 0.254 1.00 0.19 H new ATOM 0 HA THR A 84 -2.609 4.381 -0.797 1.00 0.19 H new ATOM 0 HB THR A 84 -0.224 5.868 -1.981 1.00 0.20 H new ATOM 0 HG1 THR A 84 -0.309 6.554 0.116 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.971 7.443 -2.743 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.261 5.806 -3.378 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.222 6.412 -2.008 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.170 3.152 -2.644 1.00 0.23 N ATOM 1390 CA ILE A 85 0.079 2.262 -3.812 1.00 0.27 C ATOM 1391 C ILE A 85 -0.363 0.835 -3.480 1.00 0.29 C ATOM 1392 O ILE A 85 -1.086 0.209 -4.229 1.00 0.31 O ATOM 1393 CB ILE A 85 1.573 2.272 -4.157 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.972 3.702 -4.559 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.836 1.292 -5.315 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.420 3.736 -5.055 1.00 0.61 C ATOM 0 H ILE A 85 0.665 3.445 -2.136 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.492 2.624 -4.667 1.00 0.27 H new ATOM 0 HB ILE A 85 2.166 1.959 -3.298 1.00 0.29 H new ATOM 0 HG12 ILE A 85 1.305 4.066 -5.341 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.858 4.371 -3.706 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.898 1.297 -5.562 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.538 0.287 -5.016 1.00 0.32 H new ATOM 0 HG23 ILE A 85 1.259 1.597 -6.188 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.685 4.756 -5.335 1.00 0.61 H new ATOM 0 HD12 ILE A 85 4.084 3.393 -4.262 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.523 3.083 -5.922 1.00 0.61 H new ATOM 1408 N GLY A 86 0.068 0.316 -2.365 1.00 0.30 N ATOM 1409 CA GLY A 86 -0.324 -1.071 -1.993 1.00 0.33 C ATOM 1410 C GLY A 86 -1.841 -1.148 -1.819 1.00 0.33 C ATOM 1411 O GLY A 86 -2.453 -2.164 -2.082 1.00 0.39 O ATOM 0 H GLY A 86 0.674 0.791 -1.696 1.00 0.30 H new ATOM 0 HA2 GLY A 86 -0.001 -1.770 -2.764 1.00 0.33 H new ATOM 0 HA3 GLY A 86 0.173 -1.364 -1.068 1.00 0.33 H new ATOM 1415 N CYS A 87 -2.454 -0.086 -1.373 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.928 -0.107 -1.178 1.00 0.30 C ATOM 1417 C CYS A 87 -4.635 0.026 -2.530 1.00 0.35 C ATOM 1418 O CYS A 87 -5.672 -0.564 -2.759 1.00 0.42 O ATOM 1419 CB CYS A 87 -4.335 1.056 -0.272 1.00 0.29 C ATOM 1420 SG CYS A 87 -3.713 0.762 1.402 1.00 1.29 S ATOM 0 H CYS A 87 -1.997 0.794 -1.136 1.00 0.29 H new ATOM 0 HA CYS A 87 -4.217 -1.051 -0.716 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.934 1.992 -0.661 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -5.420 1.156 -0.256 1.00 0.29 H new ATOM 0 HG CYS A 87 -2.538 1.303 1.530 1.00 1.29 H new ATOM 1426 N TYR A 88 -4.090 0.807 -3.425 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.737 0.988 -4.756 1.00 0.40 C ATOM 1428 C TYR A 88 -4.948 -0.373 -5.429 1.00 0.43 C ATOM 1429 O TYR A 88 -5.995 -0.646 -5.983 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.833 1.863 -5.629 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.449 2.035 -6.996 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -5.390 3.048 -7.217 1.00 1.24 C ATOM 1433 CD2 TYR A 88 -4.074 1.187 -8.045 1.00 1.37 C ATOM 1434 CE1 TYR A 88 -5.958 3.213 -8.486 1.00 1.28 C ATOM 1435 CE2 TYR A 88 -4.641 1.351 -9.315 1.00 1.37 C ATOM 1436 CZ TYR A 88 -5.583 2.364 -9.536 1.00 0.59 C ATOM 1437 OH TYR A 88 -6.140 2.526 -10.788 1.00 0.66 O ATOM 0 H TYR A 88 -3.223 1.328 -3.291 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.708 1.467 -4.629 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.691 2.836 -5.159 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.848 1.406 -5.720 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -5.678 3.703 -6.408 1.00 1.24 H new ATOM 0 HD2 TYR A 88 -3.347 0.406 -7.875 1.00 1.37 H new ATOM 0 HE1 TYR A 88 -6.685 3.994 -8.656 1.00 1.28 H new ATOM 0 HE2 TYR A 88 -4.352 0.696 -10.124 1.00 1.37 H new ATOM 0 HH TYR A 88 -5.770 1.856 -11.400 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.956 -1.220 -5.405 1.00 0.43 N ATOM 1448 CA LYS A 89 -4.094 -2.555 -6.062 1.00 0.51 C ATOM 1449 C LYS A 89 -5.213 -3.362 -5.397 1.00 0.36 C ATOM 1450 O LYS A 89 -5.824 -4.214 -6.013 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.771 -3.320 -5.946 1.00 0.70 C ATOM 1452 CG LYS A 89 -1.681 -2.643 -6.820 1.00 1.00 C ATOM 1453 CD LYS A 89 -1.433 -3.451 -8.105 1.00 1.24 C ATOM 1454 CE LYS A 89 -2.680 -3.419 -8.991 1.00 1.56 C ATOM 1455 NZ LYS A 89 -2.338 -3.951 -10.342 1.00 2.05 N ATOM 0 H LYS A 89 -3.055 -1.047 -4.959 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.343 -2.408 -7.113 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.448 -3.347 -4.905 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.911 -4.353 -6.263 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.991 -1.630 -7.076 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -0.754 -2.559 -6.253 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -0.582 -3.038 -8.646 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -1.181 -4.481 -7.854 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -3.474 -4.016 -8.543 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -3.056 -2.399 -9.073 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -3.183 -3.931 -10.947 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -1.593 -3.364 -10.768 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -1.999 -4.930 -10.254 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.511 -3.084 -4.157 1.00 0.32 N ATOM 1470 CA LEU A 90 -6.616 -3.817 -3.465 1.00 0.47 C ATOM 1471 C LEU A 90 -7.880 -2.969 -3.565 1.00 0.56 C ATOM 1472 O LEU A 90 -8.825 -3.168 -2.831 1.00 0.89 O ATOM 1473 CB LEU A 90 -6.280 -4.006 -1.978 1.00 0.55 C ATOM 1474 CG LEU A 90 -4.890 -4.623 -1.812 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -4.583 -4.768 -0.318 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -4.851 -6.003 -2.479 1.00 0.56 C ATOM 0 H LEU A 90 -5.038 -2.380 -3.590 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.752 -4.793 -3.930 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -6.320 -3.045 -1.466 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -7.026 -4.648 -1.510 1.00 0.55 H new ATOM 0 HG LEU A 90 -4.147 -3.979 -2.282 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -3.594 -5.207 -0.191 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -4.608 -3.787 0.155 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -5.329 -5.414 0.146 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -3.859 -6.438 -2.358 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -5.592 -6.653 -2.013 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -5.075 -5.900 -3.541 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.888 -2.001 -4.445 1.00 0.56 N ATOM 1489 CA GLY A 91 -9.059 -1.085 -4.576 1.00 0.91 C ATOM 1490 C GLY A 91 -9.683 -0.762 -3.221 1.00 0.69 C ATOM 1491 O GLY A 91 -10.843 -0.411 -3.139 1.00 0.69 O ATOM 0 H GLY A 91 -7.121 -1.804 -5.088 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.744 -0.161 -5.060 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.809 -1.544 -5.221 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.916 -0.788 -2.170 1.00 0.54 N ATOM 1496 CA GLU A 92 -9.463 -0.381 -0.847 1.00 0.42 C ATOM 1497 C GLU A 92 -9.292 1.141 -0.775 1.00 0.34 C ATOM 1498 O GLU A 92 -8.778 1.680 0.185 1.00 0.39 O ATOM 1499 CB GLU A 92 -8.643 -1.037 0.271 1.00 0.44 C ATOM 1500 CG GLU A 92 -9.055 -2.501 0.438 1.00 0.55 C ATOM 1501 CD GLU A 92 -10.477 -2.574 0.995 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -10.625 -2.464 2.201 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -11.393 -2.739 0.207 1.00 2.18 O ATOM 0 H GLU A 92 -7.936 -1.072 -2.168 1.00 0.54 H new ATOM 0 HA GLU A 92 -10.505 -0.681 -0.731 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -7.580 -0.975 0.037 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -8.795 -0.500 1.207 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -9.003 -3.016 -0.521 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -8.364 -3.009 1.110 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.646 1.822 -1.838 1.00 0.33 N ATOM 1511 CA TYR A 93 -9.431 3.297 -1.898 1.00 0.31 C ATOM 1512 C TYR A 93 -9.877 3.998 -0.612 1.00 0.25 C ATOM 1513 O TYR A 93 -9.464 5.111 -0.358 1.00 0.27 O ATOM 1514 CB TYR A 93 -10.174 3.916 -3.092 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.102 3.015 -4.305 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.934 2.967 -5.072 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -11.217 2.251 -4.678 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -8.877 2.156 -6.213 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -11.159 1.437 -5.816 1.00 1.35 C ATOM 1520 CZ TYR A 93 -9.990 1.391 -6.584 1.00 0.95 C ATOM 1521 OH TYR A 93 -9.934 0.592 -7.709 1.00 1.19 O ATOM 0 H TYR A 93 -10.076 1.415 -2.669 1.00 0.33 H new ATOM 0 HA TYR A 93 -8.358 3.446 -2.018 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -11.217 4.089 -2.825 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.740 4.887 -3.330 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.075 3.555 -4.785 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -12.121 2.290 -4.088 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -7.975 2.121 -6.806 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -12.016 0.845 -6.101 1.00 1.35 H new ATOM 0 HH TYR A 93 -10.789 0.128 -7.823 1.00 1.19 H new ATOM 1531 N SER A 94 -10.668 3.393 0.228 1.00 0.24 N ATOM 1532 CA SER A 94 -11.053 4.100 1.480 1.00 0.28 C ATOM 1533 C SER A 94 -9.810 4.282 2.343 1.00 0.29 C ATOM 1534 O SER A 94 -9.598 5.319 2.937 1.00 0.39 O ATOM 1535 CB SER A 94 -12.087 3.266 2.238 1.00 0.30 C ATOM 1536 OG SER A 94 -11.499 2.031 2.631 1.00 1.12 O ATOM 0 H SER A 94 -11.058 2.458 0.107 1.00 0.24 H new ATOM 0 HA SER A 94 -11.483 5.073 1.242 1.00 0.28 H new ATOM 0 HB2 SER A 94 -12.438 3.810 3.115 1.00 0.30 H new ATOM 0 HB3 SER A 94 -12.957 3.083 1.607 1.00 0.30 H new ATOM 0 HG SER A 94 -12.159 1.495 3.119 1.00 1.12 H new ATOM 1542 N MET A 95 -8.983 3.280 2.406 1.00 0.27 N ATOM 1543 CA MET A 95 -7.745 3.387 3.218 1.00 0.36 C ATOM 1544 C MET A 95 -6.730 4.246 2.469 1.00 0.26 C ATOM 1545 O MET A 95 -6.103 5.122 3.032 1.00 0.26 O ATOM 1546 CB MET A 95 -7.169 1.986 3.439 1.00 0.48 C ATOM 1547 CG MET A 95 -8.227 1.064 4.086 1.00 0.81 C ATOM 1548 SD MET A 95 -7.496 0.162 5.478 1.00 1.25 S ATOM 1549 CE MET A 95 -7.307 1.569 6.606 1.00 0.83 C ATOM 0 H MET A 95 -9.112 2.388 1.928 1.00 0.27 H new ATOM 0 HA MET A 95 -7.969 3.845 4.182 1.00 0.36 H new ATOM 0 HB2 MET A 95 -6.844 1.565 2.487 1.00 0.48 H new ATOM 0 HB3 MET A 95 -6.289 2.045 4.079 1.00 0.48 H new ATOM 0 HG2 MET A 95 -9.075 1.656 4.431 1.00 0.81 H new ATOM 0 HG3 MET A 95 -8.609 0.360 3.346 1.00 0.81 H new ATOM 0 HE1 MET A 95 -7.614 1.275 7.610 1.00 0.83 H new ATOM 0 HE2 MET A 95 -6.264 1.884 6.623 1.00 0.83 H new ATOM 0 HE3 MET A 95 -7.930 2.396 6.264 1.00 0.83 H new ATOM 1559 N ALA A 96 -6.567 4.004 1.199 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.598 4.806 0.406 1.00 0.20 C ATOM 1561 C ALA A 96 -5.938 6.294 0.548 1.00 0.18 C ATOM 1562 O ALA A 96 -5.066 7.128 0.697 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.682 4.390 -1.067 1.00 0.23 C ATOM 0 H ALA A 96 -7.065 3.284 0.676 1.00 0.23 H new ATOM 0 HA ALA A 96 -4.586 4.632 0.771 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.973 4.976 -1.652 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -5.441 3.331 -1.160 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.692 4.567 -1.438 1.00 0.23 H new ATOM 1569 N LYS A 97 -7.200 6.633 0.484 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.600 8.065 0.595 1.00 0.21 C ATOM 1571 C LYS A 97 -7.177 8.642 1.943 1.00 0.21 C ATOM 1572 O LYS A 97 -6.627 9.724 2.008 1.00 0.22 O ATOM 1573 CB LYS A 97 -9.117 8.195 0.447 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.523 9.662 0.635 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.948 9.876 0.120 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.440 11.263 0.543 1.00 1.07 C ATOM 1577 NZ LYS A 97 -11.705 11.270 2.009 1.00 2.10 N ATOM 0 H LYS A 97 -7.971 5.977 0.359 1.00 0.19 H new ATOM 0 HA LYS A 97 -7.102 8.620 -0.200 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.429 7.843 -0.536 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.620 7.569 1.184 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -9.463 9.933 1.689 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.831 10.312 0.099 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -10.971 9.786 -0.966 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.610 9.107 0.518 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -10.693 12.017 0.294 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -12.348 11.521 -0.003 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -12.353 12.050 2.241 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -12.137 10.366 2.288 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -10.810 11.399 2.523 1.00 2.10 H new ATOM 1591 N ARG A 98 -7.438 7.968 3.027 1.00 0.22 N ATOM 1592 CA ARG A 98 -7.055 8.531 4.353 1.00 0.25 C ATOM 1593 C ARG A 98 -5.536 8.679 4.468 1.00 0.20 C ATOM 1594 O ARG A 98 -5.044 9.646 5.015 1.00 0.21 O ATOM 1595 CB ARG A 98 -7.555 7.591 5.454 1.00 0.33 C ATOM 1596 CG ARG A 98 -9.089 7.552 5.437 1.00 1.18 C ATOM 1597 CD ARG A 98 -9.616 6.674 6.592 1.00 1.28 C ATOM 1598 NE ARG A 98 -10.786 5.864 6.124 1.00 1.90 N ATOM 1599 CZ ARG A 98 -11.756 6.406 5.433 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -11.787 7.693 5.230 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -12.723 5.657 4.977 1.00 3.20 N ATOM 0 H ARG A 98 -7.897 7.057 3.054 1.00 0.22 H new ATOM 0 HA ARG A 98 -7.506 9.518 4.458 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -7.154 6.589 5.301 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -7.200 7.932 6.427 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -9.486 8.563 5.529 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -9.439 7.158 4.483 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -8.825 6.014 6.949 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -9.910 7.302 7.433 1.00 1.28 H new ATOM 0 HE ARG A 98 -10.827 4.870 6.349 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -11.051 8.287 5.611 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -12.547 8.106 4.690 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -12.720 4.654 5.160 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -13.481 6.075 4.438 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.783 7.731 3.981 1.00 0.21 N ATOM 1616 CA TYR A 99 -3.300 7.841 4.099 1.00 0.22 C ATOM 1617 C TYR A 99 -2.767 8.890 3.117 1.00 0.19 C ATOM 1618 O TYR A 99 -2.006 9.762 3.487 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.649 6.480 3.805 1.00 0.27 C ATOM 1620 CG TYR A 99 -3.038 5.457 4.864 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -2.792 5.710 6.225 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -3.633 4.242 4.483 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -3.144 4.761 7.191 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -3.980 3.295 5.458 1.00 1.34 C ATOM 1625 CZ TYR A 99 -3.737 3.556 6.808 1.00 0.40 C ATOM 1626 OH TYR A 99 -4.081 2.622 7.764 1.00 0.47 O ATOM 0 H TYR A 99 -5.125 6.893 3.511 1.00 0.21 H new ATOM 0 HA TYR A 99 -3.052 8.147 5.115 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.959 6.128 2.821 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.565 6.588 3.778 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -2.330 6.639 6.525 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -3.823 4.037 3.440 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -2.957 4.961 8.236 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -4.436 2.361 5.164 1.00 1.34 H new ATOM 0 HH TYR A 99 -4.302 3.078 8.603 1.00 0.47 H new ATOM 1636 N VAL A 100 -3.145 8.815 1.872 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.637 9.815 0.887 1.00 0.19 C ATOM 1638 C VAL A 100 -3.121 11.214 1.292 1.00 0.21 C ATOM 1639 O VAL A 100 -2.421 12.194 1.132 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.137 9.459 -0.526 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.591 9.912 -0.710 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.253 10.147 -1.572 1.00 0.20 C ATOM 0 H VAL A 100 -3.779 8.111 1.494 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.547 9.803 0.880 1.00 0.19 H new ATOM 0 HB VAL A 100 -3.085 8.378 -0.653 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.929 9.653 -1.713 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.223 9.414 0.025 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.656 10.991 -0.573 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.608 9.894 -2.571 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.299 11.227 -1.433 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.223 9.810 -1.457 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.315 11.311 1.812 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.844 12.642 2.225 1.00 0.27 C ATOM 1654 C ASP A 101 -3.914 13.255 3.273 1.00 0.26 C ATOM 1655 O ASP A 101 -3.534 14.406 3.184 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.244 12.474 2.821 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.760 13.830 3.308 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -6.386 14.831 2.720 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -7.521 13.843 4.262 1.00 1.79 O ATOM 0 H ASP A 101 -4.947 10.526 1.969 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.897 13.298 1.356 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.922 12.063 2.073 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -6.215 11.766 3.649 1.00 0.30 H new ATOM 1664 N THR A 102 -3.544 12.494 4.266 1.00 0.25 N ATOM 1665 CA THR A 102 -2.638 13.031 5.319 1.00 0.26 C ATOM 1666 C THR A 102 -1.307 13.442 4.688 1.00 0.26 C ATOM 1667 O THR A 102 -0.765 14.489 4.984 1.00 0.27 O ATOM 1668 CB THR A 102 -2.386 11.952 6.374 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.630 11.487 6.879 1.00 0.32 O ATOM 1670 CG2 THR A 102 -1.554 12.536 7.516 1.00 0.29 C ATOM 0 H THR A 102 -3.830 11.523 4.393 1.00 0.25 H new ATOM 0 HA THR A 102 -3.103 13.899 5.787 1.00 0.26 H new ATOM 0 HB THR A 102 -1.844 11.121 5.923 1.00 0.27 H new ATOM 0 HG1 THR A 102 -4.016 10.840 6.252 1.00 0.32 H new ATOM 0 HG21 THR A 102 -1.375 11.766 8.267 1.00 0.29 H new ATOM 0 HG22 THR A 102 -0.600 12.891 7.126 1.00 0.29 H new ATOM 0 HG23 THR A 102 -2.093 13.368 7.970 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.772 12.625 3.822 1.00 0.25 N ATOM 1679 CA LEU A 103 0.526 12.971 3.180 1.00 0.27 C ATOM 1680 C LEU A 103 0.348 14.204 2.292 1.00 0.29 C ATOM 1681 O LEU A 103 1.131 15.131 2.346 1.00 0.31 O ATOM 1682 CB LEU A 103 1.011 11.788 2.330 1.00 0.29 C ATOM 1683 CG LEU A 103 2.416 12.067 1.764 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.472 12.003 2.881 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.741 11.017 0.697 1.00 0.41 C ATOM 0 H LEU A 103 -1.177 11.735 3.532 1.00 0.25 H new ATOM 0 HA LEU A 103 1.264 13.187 3.952 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.030 10.882 2.936 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.312 11.610 1.512 1.00 0.29 H new ATOM 0 HG LEU A 103 2.431 13.066 1.327 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.458 12.203 2.461 1.00 0.36 H new ATOM 0 HD12 LEU A 103 3.243 12.750 3.641 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.464 11.011 3.333 1.00 0.36 H new ATOM 0 HD21 LEU A 103 3.734 11.207 0.290 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.716 10.023 1.145 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.004 11.073 -0.104 1.00 0.41 H new ATOM 1697 N PHE A 104 -0.660 14.224 1.460 1.00 0.29 N ATOM 1698 CA PHE A 104 -0.848 15.401 0.569 1.00 0.32 C ATOM 1699 C PHE A 104 -1.180 16.631 1.415 1.00 0.37 C ATOM 1700 O PHE A 104 -0.770 17.734 1.110 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.985 15.121 -0.419 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.220 16.336 -1.289 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.294 16.670 -2.283 1.00 1.17 C ATOM 1704 CD2 PHE A 104 -3.366 17.123 -1.106 1.00 1.23 C ATOM 1705 CE1 PHE A 104 -1.511 17.791 -3.095 1.00 1.19 C ATOM 1706 CE2 PHE A 104 -3.582 18.244 -1.918 1.00 1.29 C ATOM 1707 CZ PHE A 104 -2.654 18.578 -2.912 1.00 0.60 C ATOM 0 H PHE A 104 -1.354 13.483 1.361 1.00 0.29 H new ATOM 0 HA PHE A 104 0.069 15.588 0.011 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.736 14.261 -1.040 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.896 14.869 0.123 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -0.412 16.064 -2.425 1.00 1.17 H new ATOM 0 HD2 PHE A 104 -4.082 16.865 -0.339 1.00 1.23 H new ATOM 0 HE1 PHE A 104 -0.796 18.048 -3.863 1.00 1.19 H new ATOM 0 HE2 PHE A 104 -4.464 18.851 -1.777 1.00 1.29 H new ATOM 0 HZ PHE A 104 -2.820 19.443 -3.537 1.00 0.60 H new ATOM 1717 N GLU A 105 -1.910 16.452 2.483 1.00 0.42 N ATOM 1718 CA GLU A 105 -2.250 17.611 3.346 1.00 0.52 C ATOM 1719 C GLU A 105 -0.956 18.194 3.916 1.00 0.56 C ATOM 1720 O GLU A 105 -0.753 19.392 3.950 1.00 0.61 O ATOM 1721 CB GLU A 105 -3.131 17.116 4.500 1.00 0.58 C ATOM 1722 CG GLU A 105 -3.638 18.308 5.318 1.00 1.20 C ATOM 1723 CD GLU A 105 -4.585 19.161 4.467 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -5.251 18.599 3.613 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -4.624 20.361 4.683 1.00 2.31 O ATOM 0 H GLU A 105 -2.283 15.554 2.792 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.778 18.373 2.773 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -3.975 16.548 4.107 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -2.562 16.441 5.139 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -4.156 17.954 6.210 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -2.796 18.912 5.657 1.00 1.20 H new ATOM 1838 N GLN A 112 3.918 14.454 -7.743 1.00 0.54 N ATOM 1839 CA GLN A 112 3.698 12.986 -7.860 1.00 0.49 C ATOM 1840 C GLN A 112 2.651 12.567 -6.832 1.00 0.39 C ATOM 1841 O GLN A 112 1.908 11.626 -7.028 1.00 0.37 O ATOM 1842 CB GLN A 112 5.014 12.252 -7.582 1.00 0.54 C ATOM 1843 CG GLN A 112 5.966 12.440 -8.765 1.00 1.05 C ATOM 1844 CD GLN A 112 7.332 11.840 -8.422 1.00 1.82 C ATOM 1845 OE1 GLN A 112 7.581 11.475 -7.290 1.00 2.54 O ATOM 1846 NE2 GLN A 112 8.234 11.723 -9.358 1.00 2.56 N ATOM 0 HA GLN A 112 3.354 12.736 -8.864 1.00 0.49 H new ATOM 0 HB2 GLN A 112 5.471 12.636 -6.670 1.00 0.54 H new ATOM 0 HB3 GLN A 112 4.823 11.191 -7.421 1.00 0.54 H new ATOM 0 HG2 GLN A 112 5.558 11.958 -9.654 1.00 1.05 H new ATOM 0 HG3 GLN A 112 6.070 13.500 -8.997 1.00 1.05 H new ATOM 0 HE21 GLN A 112 8.025 12.029 -10.308 1.00 2.56 H new ATOM 0 HE22 GLN A 112 9.147 11.325 -9.139 1.00 2.56 H new ATOM 1855 N VAL A 113 2.581 13.277 -5.744 1.00 0.37 N ATOM 1856 CA VAL A 113 1.576 12.953 -4.697 1.00 0.32 C ATOM 1857 C VAL A 113 0.214 13.443 -5.182 1.00 0.32 C ATOM 1858 O VAL A 113 -0.771 12.733 -5.141 1.00 0.30 O ATOM 1859 CB VAL A 113 1.951 13.664 -3.393 1.00 0.35 C ATOM 1860 CG1 VAL A 113 1.007 13.219 -2.274 1.00 0.41 C ATOM 1861 CG2 VAL A 113 3.391 13.306 -3.013 1.00 0.40 C ATOM 0 H VAL A 113 3.181 14.074 -5.533 1.00 0.37 H new ATOM 0 HA VAL A 113 1.546 11.879 -4.514 1.00 0.32 H new ATOM 0 HB VAL A 113 1.866 14.742 -3.533 1.00 0.35 H new ATOM 0 HG11 VAL A 113 1.276 13.726 -1.348 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.019 13.472 -2.541 1.00 0.41 H new ATOM 0 HG13 VAL A 113 1.090 12.141 -2.135 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.659 13.811 -2.085 1.00 0.40 H new ATOM 0 HG22 VAL A 113 3.474 12.228 -2.876 1.00 0.40 H new ATOM 0 HG23 VAL A 113 4.067 13.624 -3.807 1.00 0.40 H new ATOM 1871 N GLY A 114 0.163 14.660 -5.647 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.126 15.215 -6.150 1.00 0.40 C ATOM 1873 C GLY A 114 -1.652 14.318 -7.272 1.00 0.38 C ATOM 1874 O GLY A 114 -2.842 14.145 -7.440 1.00 0.38 O ATOM 0 H GLY A 114 0.959 15.296 -5.701 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -1.853 15.270 -5.340 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -0.980 16.231 -6.517 1.00 0.40 H new ATOM 1878 N ALA A 115 -0.768 13.743 -8.040 1.00 0.38 N ATOM 1879 CA ALA A 115 -1.203 12.852 -9.152 1.00 0.38 C ATOM 1880 C ALA A 115 -1.643 11.498 -8.582 1.00 0.33 C ATOM 1881 O ALA A 115 -2.706 10.996 -8.911 1.00 0.34 O ATOM 1882 CB ALA A 115 -0.044 12.664 -10.134 1.00 0.43 C ATOM 0 H ALA A 115 0.242 13.853 -7.945 1.00 0.38 H new ATOM 0 HA ALA A 115 -2.045 13.302 -9.678 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -0.360 12.012 -10.949 1.00 0.43 H new ATOM 0 HB2 ALA A 115 0.252 13.632 -10.538 1.00 0.43 H new ATOM 0 HB3 ALA A 115 0.802 12.213 -9.616 1.00 0.43 H new ATOM 1888 N LEU A 116 -0.869 10.901 -7.726 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.305 9.596 -7.162 1.00 0.29 C ATOM 1890 C LEU A 116 -2.665 9.796 -6.491 1.00 0.26 C ATOM 1891 O LEU A 116 -3.565 8.992 -6.631 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.277 9.101 -6.137 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.683 7.718 -5.599 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -0.739 6.688 -6.745 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.346 7.270 -4.555 1.00 0.68 C ATOM 0 H LEU A 116 0.031 11.250 -7.396 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.386 8.851 -7.953 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.709 9.044 -6.599 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.203 9.812 -5.314 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.672 7.786 -5.146 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.028 5.715 -6.346 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.471 7.008 -7.486 1.00 0.49 H new ATOM 0 HD13 LEU A 116 0.242 6.611 -7.214 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.068 6.290 -4.167 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.331 7.211 -5.017 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.372 7.990 -3.737 1.00 0.68 H new ATOM 1907 N LYS A 117 -2.818 10.868 -5.759 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.116 11.126 -5.075 1.00 0.28 C ATOM 1909 C LYS A 117 -5.230 11.218 -6.123 1.00 0.28 C ATOM 1910 O LYS A 117 -6.376 10.912 -5.857 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.024 12.448 -4.304 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.348 12.737 -3.592 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.192 13.985 -2.719 1.00 0.86 C ATOM 1914 CE LYS A 117 -6.552 14.387 -2.145 1.00 1.44 C ATOM 1915 NZ LYS A 117 -6.375 15.517 -1.190 1.00 2.16 N ATOM 0 H LYS A 117 -2.099 11.575 -5.606 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.337 10.315 -4.382 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.214 12.397 -3.576 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.786 13.261 -4.989 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.142 12.888 -4.323 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.638 11.884 -2.978 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -4.489 13.789 -1.910 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -4.779 14.804 -3.309 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -7.226 14.680 -2.950 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -7.010 13.537 -1.639 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -6.517 15.176 -0.218 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -5.414 15.904 -1.284 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -7.070 16.262 -1.401 1.00 2.16 H new ATOM 1929 N SER A 118 -4.901 11.653 -7.313 1.00 0.29 N ATOM 1930 CA SER A 118 -5.936 11.783 -8.379 1.00 0.31 C ATOM 1931 C SER A 118 -6.491 10.407 -8.755 1.00 0.29 C ATOM 1932 O SER A 118 -7.645 10.281 -9.113 1.00 0.30 O ATOM 1933 CB SER A 118 -5.322 12.436 -9.617 1.00 0.34 C ATOM 1934 OG SER A 118 -4.649 13.628 -9.235 1.00 1.35 O ATOM 0 H SER A 118 -3.958 11.924 -7.591 1.00 0.29 H new ATOM 0 HA SER A 118 -6.749 12.403 -8.001 1.00 0.31 H new ATOM 0 HB2 SER A 118 -4.625 11.749 -10.097 1.00 0.34 H new ATOM 0 HB3 SER A 118 -6.100 12.662 -10.347 1.00 0.34 H new ATOM 0 HG SER A 118 -3.888 13.404 -8.660 1.00 1.35 H new ATOM 1940 N MET A 119 -5.706 9.367 -8.651 1.00 0.26 N ATOM 1941 CA MET A 119 -6.240 8.009 -8.983 1.00 0.25 C ATOM 1942 C MET A 119 -7.204 7.592 -7.868 1.00 0.23 C ATOM 1943 O MET A 119 -8.275 7.070 -8.104 1.00 0.24 O ATOM 1944 CB MET A 119 -5.079 7.006 -9.055 1.00 0.26 C ATOM 1945 CG MET A 119 -4.354 7.141 -10.397 1.00 0.61 C ATOM 1946 SD MET A 119 -3.636 8.802 -10.531 1.00 1.03 S ATOM 1947 CE MET A 119 -1.951 8.313 -10.981 1.00 0.69 C ATOM 0 H MET A 119 -4.730 9.395 -8.355 1.00 0.26 H new ATOM 0 HA MET A 119 -6.754 8.028 -9.944 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.382 7.184 -8.236 1.00 0.26 H new ATOM 0 HB3 MET A 119 -5.457 5.990 -8.937 1.00 0.26 H new ATOM 0 HG2 MET A 119 -3.571 6.387 -10.477 1.00 0.61 H new ATOM 0 HG3 MET A 119 -5.050 6.966 -11.218 1.00 0.61 H new ATOM 0 HE1 MET A 119 -1.336 9.204 -11.112 1.00 0.69 H new ATOM 0 HE2 MET A 119 -1.528 7.694 -10.190 1.00 0.69 H new ATOM 0 HE3 MET A 119 -1.973 7.747 -11.912 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.815 7.847 -6.655 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.657 7.517 -5.472 1.00 0.20 C ATOM 1959 C VAL A 120 -8.916 8.390 -5.435 1.00 0.22 C ATOM 1960 O VAL A 120 -10.013 7.894 -5.269 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.834 7.796 -4.215 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.675 7.494 -2.974 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.596 6.896 -4.220 1.00 0.23 C ATOM 0 H VAL A 120 -5.922 8.283 -6.425 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.960 6.472 -5.528 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.532 8.843 -4.200 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -7.087 7.693 -2.078 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.563 8.127 -2.973 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.976 6.446 -2.985 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -5.003 7.089 -3.326 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.906 5.851 -4.232 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.997 7.107 -5.106 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.778 9.679 -5.562 1.00 0.25 N ATOM 1974 CA GLU A 121 -9.981 10.563 -5.503 1.00 0.29 C ATOM 1975 C GLU A 121 -10.842 10.368 -6.758 1.00 0.28 C ATOM 1976 O GLU A 121 -12.052 10.470 -6.708 1.00 0.31 O ATOM 1977 CB GLU A 121 -9.519 12.037 -5.394 1.00 0.35 C ATOM 1978 CG GLU A 121 -9.841 12.597 -4.002 1.00 1.07 C ATOM 1979 CD GLU A 121 -11.358 12.718 -3.842 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -11.967 13.392 -4.657 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -11.884 12.134 -2.910 1.00 2.20 O ATOM 0 H GLU A 121 -7.890 10.160 -5.704 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.582 10.305 -4.631 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -8.447 12.104 -5.581 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.014 12.637 -6.158 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -9.434 11.942 -3.231 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -9.372 13.572 -3.873 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.237 10.102 -7.878 1.00 0.28 N ATOM 1989 CA ASP A 122 -11.037 9.918 -9.120 1.00 0.30 C ATOM 1990 C ASP A 122 -11.816 8.604 -9.048 1.00 0.28 C ATOM 1991 O ASP A 122 -12.976 8.533 -9.419 1.00 0.31 O ATOM 1992 CB ASP A 122 -10.103 9.890 -10.331 1.00 0.34 C ATOM 1993 CG ASP A 122 -10.927 9.699 -11.606 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.361 8.585 -11.847 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -11.111 10.672 -12.320 1.00 1.92 O ATOM 0 H ASP A 122 -9.228 10.004 -7.989 1.00 0.28 H new ATOM 0 HA ASP A 122 -11.739 10.746 -9.218 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -9.536 10.819 -10.388 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -9.380 9.081 -10.228 1.00 0.34 H new ATOM 2000 N LYS A 123 -11.200 7.557 -8.571 1.00 0.27 N ATOM 2001 CA LYS A 123 -11.918 6.259 -8.490 1.00 0.27 C ATOM 2002 C LYS A 123 -12.966 6.308 -7.377 1.00 0.26 C ATOM 2003 O LYS A 123 -14.005 5.680 -7.475 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.915 5.132 -8.203 1.00 0.27 C ATOM 2005 CG LYS A 123 -9.915 4.997 -9.371 1.00 0.93 C ATOM 2006 CD LYS A 123 -10.493 4.097 -10.484 1.00 1.10 C ATOM 2007 CE LYS A 123 -10.180 2.624 -10.193 1.00 1.43 C ATOM 2008 NZ LYS A 123 -8.716 2.388 -10.347 1.00 1.95 N ATOM 0 H LYS A 123 -10.237 7.546 -8.236 1.00 0.27 H new ATOM 0 HA LYS A 123 -12.417 6.069 -9.440 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.378 5.340 -7.277 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -11.446 4.191 -8.059 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -9.686 5.983 -9.776 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -8.978 4.577 -9.007 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -11.571 4.240 -10.553 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -10.071 4.382 -11.448 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -10.496 2.367 -9.182 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -10.737 1.981 -10.875 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -8.550 1.394 -10.605 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -8.341 3.007 -11.094 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -8.234 2.598 -9.449 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.729 7.043 -6.313 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.759 7.082 -5.234 1.00 0.29 C ATOM 2024 C ILE A 124 -14.918 7.954 -5.736 1.00 0.35 C ATOM 2025 O ILE A 124 -16.043 7.836 -5.303 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.152 7.634 -3.933 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.268 6.562 -3.285 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.266 8.026 -2.960 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.470 7.176 -2.126 1.00 0.30 C ATOM 0 H ILE A 124 -11.891 7.601 -6.151 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.125 6.081 -5.007 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.553 8.514 -4.166 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.885 5.741 -2.919 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.587 6.143 -4.026 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.827 8.416 -2.042 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.894 8.792 -3.415 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.872 7.150 -2.729 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.844 6.410 -1.669 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.840 7.981 -2.504 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.159 7.573 -1.380 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.637 8.835 -6.654 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.714 9.709 -7.190 1.00 0.40 C ATOM 2043 C GLN A 125 -16.725 8.829 -7.946 1.00 0.43 C ATOM 2044 O GLN A 125 -17.914 9.075 -7.925 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.105 10.776 -8.125 1.00 0.53 C ATOM 2046 CG GLN A 125 -15.691 12.153 -7.806 1.00 1.22 C ATOM 2047 CD GLN A 125 -15.236 13.161 -8.861 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -14.610 14.151 -8.541 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -15.527 12.950 -10.116 1.00 2.64 N ATOM 0 H GLN A 125 -13.711 8.987 -7.055 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.224 10.226 -6.377 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -14.022 10.797 -8.008 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -15.308 10.518 -9.164 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -16.780 12.100 -7.785 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -15.368 12.476 -6.816 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -16.053 12.118 -10.385 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -15.228 13.617 -10.828 1.00 2.64 H new