USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=31 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 88 TYR OH : rot 180:sc= 0.0408 USER MOD Set 1.2: A 123 LYS NZ :NH3+ -164:sc= 0.0411 (180deg=0) USER MOD Set 2.1: A 95 MET CE :methyl -155:sc= -0.246 (180deg=-1.34!) USER MOD Set 2.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -57:sc= 1.01 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -1.19 (180deg=-1.81) 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= -0.823 K(o=-0.82,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.702 K(o=-0.7,f=-6.3!) USER MOD Single : A 27 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.2) USER MOD Single : A 28 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.27) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -55:sc= -0.227 USER MOD Single : A 38 THR OG1 : rot 92:sc= 0.884 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 41 SER OG : rot 150:sc= -0.0378 USER MOD Single : A 44 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -2.39! (180deg=-3.3!) USER MOD Single : A 52 SER OG : rot 173:sc= 0.106 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.7! K(o=-3.7!,f=-0.41) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -131:sc= -2.29 (180deg=-4.73!) USER MOD Single : A 74 SER OG : rot 170:sc= 0.821 USER MOD Single : A 79 CYS SG : rot 60:sc= 1.18 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 87:sc= 0.723 USER MOD Single : A 87 CYS SG : rot 83:sc= -0.262 USER MOD Single : A 89 LYS NZ :NH3+ -113:sc= 0.433 (180deg=-0.19) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.571 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.3 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 117 LYS NZ :NH3+ 139:sc= 0.218 (180deg=-2.32!) USER MOD Single : A 118 SER OG : rot 21:sc= -0.586! USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.736 6.091 -5.351 1.00 0.67 N ATOM 129 CA PRO A 8 9.875 5.811 -6.797 1.00 0.58 C ATOM 130 C PRO A 8 8.516 5.959 -7.516 1.00 0.52 C ATOM 131 O PRO A 8 8.147 5.164 -8.349 1.00 0.58 O ATOM 132 CB PRO A 8 10.415 4.361 -6.866 1.00 0.62 C ATOM 133 CG PRO A 8 10.574 3.846 -5.405 1.00 0.71 C ATOM 134 CD PRO A 8 10.035 4.943 -4.465 1.00 0.75 C ATOM 0 HA PRO A 8 10.545 6.509 -7.298 1.00 0.58 H new ATOM 0 HB2 PRO A 8 9.729 3.723 -7.424 1.00 0.62 H new ATOM 0 HB3 PRO A 8 11.372 4.333 -7.388 1.00 0.62 H new ATOM 0 HG2 PRO A 8 10.023 2.916 -5.264 1.00 0.71 H new ATOM 0 HG3 PRO A 8 11.620 3.633 -5.185 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.142 4.608 -3.938 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.771 5.210 -3.707 1.00 0.75 H new ATOM 142 N THR A 9 7.787 6.985 -7.201 1.00 0.48 N ATOM 143 CA THR A 9 6.464 7.217 -7.861 1.00 0.46 C ATOM 144 C THR A 9 5.546 6.011 -7.675 1.00 0.43 C ATOM 145 O THR A 9 5.975 4.923 -7.343 1.00 0.44 O ATOM 146 CB THR A 9 6.654 7.443 -9.366 1.00 0.47 C ATOM 147 OG1 THR A 9 6.718 6.185 -10.024 1.00 0.72 O ATOM 148 CG2 THR A 9 7.944 8.214 -9.629 1.00 0.73 C ATOM 0 H THR A 9 8.048 7.686 -6.507 1.00 0.48 H new ATOM 0 HA THR A 9 6.015 8.097 -7.399 1.00 0.46 H new ATOM 0 HB THR A 9 5.812 8.022 -9.746 1.00 0.47 H new ATOM 0 HG1 THR A 9 7.440 5.649 -9.635 1.00 0.72 H new ATOM 0 HG21 THR A 9 8.065 8.366 -10.702 1.00 0.73 H new ATOM 0 HG22 THR A 9 7.899 9.181 -9.128 1.00 0.73 H new ATOM 0 HG23 THR A 9 8.792 7.646 -9.246 1.00 0.73 H new ATOM 156 N LEU A 10 4.281 6.206 -7.919 1.00 0.41 N ATOM 157 CA LEU A 10 3.310 5.092 -7.797 1.00 0.40 C ATOM 158 C LEU A 10 3.462 4.150 -8.991 1.00 0.39 C ATOM 159 O LEU A 10 3.110 2.988 -8.927 1.00 0.39 O ATOM 160 CB LEU A 10 1.882 5.649 -7.786 1.00 0.41 C ATOM 161 CG LEU A 10 0.897 4.542 -7.351 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.723 4.565 -5.834 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.464 4.759 -8.006 1.00 0.41 C ATOM 0 H LEU A 10 3.877 7.100 -8.200 1.00 0.41 H new ATOM 0 HA LEU A 10 3.502 4.552 -6.870 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.817 6.496 -7.104 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.617 6.017 -8.777 1.00 0.41 H new ATOM 0 HG LEU A 10 1.302 3.579 -7.662 1.00 0.37 H new ATOM 0 HD11 LEU A 10 0.027 3.781 -5.536 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.687 4.396 -5.355 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.331 5.535 -5.527 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.149 3.972 -7.691 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -0.862 5.728 -7.705 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -0.354 4.732 -9.090 1.00 0.41 H new ATOM 175 N LYS A 11 3.961 4.634 -10.096 1.00 0.42 N ATOM 176 CA LYS A 11 4.093 3.756 -11.295 1.00 0.44 C ATOM 177 C LYS A 11 5.121 2.654 -11.047 1.00 0.43 C ATOM 178 O LYS A 11 5.023 1.574 -11.595 1.00 0.45 O ATOM 179 CB LYS A 11 4.543 4.603 -12.498 1.00 0.49 C ATOM 180 CG LYS A 11 3.349 5.373 -13.071 1.00 0.83 C ATOM 181 CD LYS A 11 3.831 6.362 -14.140 1.00 0.98 C ATOM 182 CE LYS A 11 4.567 5.615 -15.262 1.00 1.64 C ATOM 183 NZ LYS A 11 3.879 4.324 -15.547 1.00 2.31 N ATOM 0 H LYS A 11 4.282 5.594 -10.221 1.00 0.42 H new ATOM 0 HA LYS A 11 3.126 3.296 -11.498 1.00 0.44 H new ATOM 0 HB2 LYS A 11 5.323 5.300 -12.191 1.00 0.49 H new ATOM 0 HB3 LYS A 11 4.974 3.960 -13.265 1.00 0.49 H new ATOM 0 HG2 LYS A 11 2.630 4.677 -13.504 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.834 5.908 -12.274 1.00 0.83 H new ATOM 0 HD2 LYS A 11 2.981 6.906 -14.552 1.00 0.98 H new ATOM 0 HD3 LYS A 11 4.494 7.101 -13.690 1.00 0.98 H new ATOM 0 HE2 LYS A 11 4.595 6.229 -16.162 1.00 1.64 H new ATOM 0 HE3 LYS A 11 5.601 5.430 -14.970 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 4.096 4.022 -16.518 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 4.209 3.600 -14.878 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 2.852 4.448 -15.444 1.00 2.31 H new ATOM 197 N ASP A 12 6.127 2.919 -10.265 1.00 0.43 N ATOM 198 CA ASP A 12 7.164 1.878 -10.046 1.00 0.45 C ATOM 199 C ASP A 12 6.525 0.638 -9.412 1.00 0.44 C ATOM 200 O ASP A 12 6.936 -0.479 -9.644 1.00 0.46 O ATOM 201 CB ASP A 12 8.248 2.439 -9.126 1.00 0.48 C ATOM 202 CG ASP A 12 9.371 1.414 -8.955 1.00 1.16 C ATOM 203 OD1 ASP A 12 9.075 0.232 -8.939 1.00 1.88 O ATOM 204 OD2 ASP A 12 10.513 1.832 -8.843 1.00 1.94 O ATOM 0 H ASP A 12 6.275 3.800 -9.773 1.00 0.43 H new ATOM 0 HA ASP A 12 7.610 1.594 -10.999 1.00 0.45 H new ATOM 0 HB2 ASP A 12 8.648 3.363 -9.543 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.820 2.687 -8.155 1.00 0.48 H new ATOM 209 N ALA A 13 5.523 0.839 -8.590 1.00 0.43 N ATOM 210 CA ALA A 13 4.861 -0.315 -7.916 1.00 0.45 C ATOM 211 C ALA A 13 4.363 -1.321 -8.954 1.00 0.49 C ATOM 212 O ALA A 13 4.208 -2.492 -8.669 1.00 0.57 O ATOM 213 CB ALA A 13 3.677 0.194 -7.092 1.00 0.44 C ATOM 0 H ALA A 13 5.137 1.754 -8.359 1.00 0.43 H new ATOM 0 HA ALA A 13 5.582 -0.808 -7.265 1.00 0.45 H new ATOM 0 HB1 ALA A 13 3.190 -0.646 -6.597 1.00 0.44 H new ATOM 0 HB2 ALA A 13 4.033 0.900 -6.342 1.00 0.44 H new ATOM 0 HB3 ALA A 13 2.964 0.691 -7.749 1.00 0.44 H new ATOM 219 N TYR A 14 4.100 -0.878 -10.154 1.00 0.54 N ATOM 220 CA TYR A 14 3.599 -1.813 -11.207 1.00 0.60 C ATOM 221 C TYR A 14 4.772 -2.345 -12.034 1.00 0.67 C ATOM 222 O TYR A 14 4.645 -2.571 -13.222 1.00 1.15 O ATOM 223 CB TYR A 14 2.629 -1.063 -12.122 1.00 0.61 C ATOM 224 CG TYR A 14 1.430 -0.619 -11.317 1.00 0.58 C ATOM 225 CD1 TYR A 14 1.490 0.562 -10.567 1.00 1.37 C ATOM 226 CD2 TYR A 14 0.260 -1.389 -11.316 1.00 1.32 C ATOM 227 CE1 TYR A 14 0.382 0.973 -9.817 1.00 1.41 C ATOM 228 CE2 TYR A 14 -0.849 -0.977 -10.566 1.00 1.33 C ATOM 229 CZ TYR A 14 -0.787 0.204 -9.817 1.00 0.70 C ATOM 230 OH TYR A 14 -1.880 0.609 -9.077 1.00 0.82 O ATOM 0 H TYR A 14 4.210 0.091 -10.452 1.00 0.54 H new ATOM 0 HA TYR A 14 3.089 -2.652 -10.733 1.00 0.60 H new ATOM 0 HB2 TYR A 14 3.124 -0.199 -12.567 1.00 0.61 H new ATOM 0 HB3 TYR A 14 2.313 -1.707 -12.943 1.00 0.61 H new ATOM 0 HD1 TYR A 14 2.392 1.156 -10.567 1.00 1.37 H new ATOM 0 HD2 TYR A 14 0.213 -2.300 -11.894 1.00 1.32 H new ATOM 0 HE1 TYR A 14 0.429 1.884 -9.238 1.00 1.41 H new ATOM 0 HE2 TYR A 14 -1.751 -1.570 -10.566 1.00 1.33 H new ATOM 0 HH TYR A 14 -2.608 -0.037 -9.189 1.00 0.82 H new ATOM 240 N GLU A 15 5.917 -2.535 -11.421 1.00 0.57 N ATOM 241 CA GLU A 15 7.113 -3.043 -12.170 1.00 0.60 C ATOM 242 C GLU A 15 7.646 -4.331 -11.507 1.00 0.53 C ATOM 243 O GLU A 15 8.603 -4.274 -10.761 1.00 0.57 O ATOM 244 CB GLU A 15 8.214 -1.978 -12.139 1.00 0.68 C ATOM 245 CG GLU A 15 7.829 -0.816 -13.059 1.00 0.89 C ATOM 246 CD GLU A 15 8.903 0.271 -12.985 1.00 1.59 C ATOM 247 OE1 GLU A 15 10.044 -0.069 -12.718 1.00 2.12 O ATOM 248 OE2 GLU A 15 8.567 1.424 -13.197 1.00 2.32 O ATOM 0 H GLU A 15 6.076 -2.359 -10.429 1.00 0.57 H new ATOM 0 HA GLU A 15 6.824 -3.259 -13.199 1.00 0.60 H new ATOM 0 HB2 GLU A 15 8.357 -1.617 -11.120 1.00 0.68 H new ATOM 0 HB3 GLU A 15 9.162 -2.411 -12.459 1.00 0.68 H new ATOM 0 HG2 GLU A 15 7.724 -1.170 -14.085 1.00 0.89 H new ATOM 0 HG3 GLU A 15 6.863 -0.408 -12.762 1.00 0.89 H new ATOM 255 N PRO A 16 7.033 -5.463 -11.805 1.00 0.51 N ATOM 256 CA PRO A 16 7.478 -6.760 -11.242 1.00 0.48 C ATOM 257 C PRO A 16 8.937 -7.002 -11.616 1.00 0.51 C ATOM 258 O PRO A 16 9.239 -7.068 -12.793 1.00 0.76 O ATOM 259 CB PRO A 16 6.586 -7.810 -11.951 1.00 0.53 C ATOM 260 CG PRO A 16 5.469 -7.040 -12.704 1.00 0.64 C ATOM 261 CD PRO A 16 5.867 -5.552 -12.716 1.00 0.60 C ATOM 0 HA PRO A 16 7.397 -6.799 -10.156 1.00 0.48 H new ATOM 0 HB2 PRO A 16 7.176 -8.407 -12.646 1.00 0.53 H new ATOM 0 HB3 PRO A 16 6.154 -8.499 -11.225 1.00 0.53 H new ATOM 0 HG2 PRO A 16 5.361 -7.417 -13.721 1.00 0.64 H new ATOM 0 HG3 PRO A 16 4.507 -7.177 -12.209 1.00 0.64 H new ATOM 0 HD2 PRO A 16 6.125 -5.220 -13.722 1.00 0.60 H new ATOM 0 HD3 PRO A 16 5.048 -4.921 -12.372 1.00 0.60 H new ATOM 269 N LEU A 17 9.856 -7.148 -10.676 1.00 0.63 N ATOM 270 CA LEU A 17 11.277 -7.391 -11.115 1.00 0.74 C ATOM 271 C LEU A 17 11.505 -8.904 -11.206 1.00 0.79 C ATOM 272 O LEU A 17 10.588 -9.661 -11.454 1.00 1.03 O ATOM 273 CB LEU A 17 12.306 -6.695 -10.198 1.00 0.79 C ATOM 274 CG LEU A 17 11.608 -5.859 -9.113 1.00 1.26 C ATOM 275 CD1 LEU A 17 11.093 -6.770 -7.983 1.00 1.12 C ATOM 276 CD2 LEU A 17 12.625 -4.876 -8.538 1.00 2.28 C ATOM 0 H LEU A 17 9.694 -7.112 -9.670 1.00 0.63 H new ATOM 0 HA LEU A 17 11.429 -6.945 -12.098 1.00 0.74 H new ATOM 0 HB2 LEU A 17 12.944 -7.444 -9.729 1.00 0.79 H new ATOM 0 HB3 LEU A 17 12.953 -6.053 -10.795 1.00 0.79 H new ATOM 0 HG LEU A 17 10.761 -5.329 -9.549 1.00 1.26 H new ATOM 0 HD11 LEU A 17 10.601 -6.164 -7.222 1.00 1.12 H new ATOM 0 HD12 LEU A 17 10.381 -7.488 -8.390 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.931 -7.304 -7.535 1.00 1.12 H new ATOM 0 HD21 LEU A 17 12.150 -4.272 -7.765 1.00 2.28 H new ATOM 0 HD22 LEU A 17 13.460 -5.428 -8.106 1.00 2.28 H new ATOM 0 HD23 LEU A 17 12.992 -4.226 -9.332 1.00 2.28 H new ATOM 288 N TYR A 18 12.723 -9.342 -11.064 1.00 0.78 N ATOM 289 CA TYR A 18 13.026 -10.807 -11.209 1.00 0.88 C ATOM 290 C TYR A 18 13.137 -11.476 -9.824 1.00 0.76 C ATOM 291 O TYR A 18 13.509 -10.825 -8.867 1.00 0.63 O ATOM 292 CB TYR A 18 14.352 -10.947 -11.983 1.00 1.09 C ATOM 293 CG TYR A 18 14.492 -9.770 -12.924 1.00 0.78 C ATOM 294 CD1 TYR A 18 13.378 -9.319 -13.651 1.00 1.46 C ATOM 295 CD2 TYR A 18 15.721 -9.119 -13.054 1.00 1.41 C ATOM 296 CE1 TYR A 18 13.496 -8.222 -14.505 1.00 1.64 C ATOM 297 CE2 TYR A 18 15.842 -8.019 -13.907 1.00 1.67 C ATOM 298 CZ TYR A 18 14.729 -7.567 -14.635 1.00 1.40 C ATOM 299 OH TYR A 18 14.848 -6.480 -15.477 1.00 1.95 O ATOM 0 H TYR A 18 13.529 -8.754 -10.853 1.00 0.78 H new ATOM 0 HA TYR A 18 12.221 -11.303 -11.752 1.00 0.88 H new ATOM 0 HB2 TYR A 18 15.193 -10.978 -11.290 1.00 1.09 H new ATOM 0 HB3 TYR A 18 14.366 -11.882 -12.543 1.00 1.09 H new ATOM 0 HD1 TYR A 18 12.428 -9.822 -13.549 1.00 1.46 H new ATOM 0 HD2 TYR A 18 16.578 -9.466 -12.495 1.00 1.41 H new ATOM 0 HE1 TYR A 18 12.639 -7.878 -15.065 1.00 1.64 H new ATOM 0 HE2 TYR A 18 16.792 -7.516 -14.007 1.00 1.67 H new ATOM 0 HH TYR A 18 15.768 -6.144 -15.449 1.00 1.95 H new ATOM 309 N PRO A 19 12.817 -12.760 -9.743 1.00 0.88 N ATOM 310 CA PRO A 19 12.895 -13.490 -8.466 1.00 0.87 C ATOM 311 C PRO A 19 14.313 -13.410 -7.890 1.00 0.80 C ATOM 312 O PRO A 19 14.513 -13.606 -6.708 1.00 0.77 O ATOM 313 CB PRO A 19 12.518 -14.951 -8.809 1.00 1.11 C ATOM 314 CG PRO A 19 12.274 -15.022 -10.341 1.00 1.24 C ATOM 315 CD PRO A 19 12.360 -13.584 -10.890 1.00 1.09 C ATOM 0 HA PRO A 19 12.230 -13.070 -7.712 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.317 -15.632 -8.516 1.00 1.11 H new ATOM 0 HB3 PRO A 19 11.624 -15.255 -8.264 1.00 1.11 H new ATOM 0 HG2 PRO A 19 13.018 -15.660 -10.819 1.00 1.24 H new ATOM 0 HG3 PRO A 19 11.297 -15.456 -10.554 1.00 1.24 H new ATOM 0 HD2 PRO A 19 13.059 -13.521 -11.724 1.00 1.09 H new ATOM 0 HD3 PRO A 19 11.392 -13.244 -11.259 1.00 1.09 H new ATOM 323 N GLN A 20 15.305 -13.142 -8.700 1.00 0.80 N ATOM 324 CA GLN A 20 16.688 -13.078 -8.160 1.00 0.77 C ATOM 325 C GLN A 20 16.826 -11.830 -7.285 1.00 0.68 C ATOM 326 O GLN A 20 17.290 -11.895 -6.164 1.00 0.67 O ATOM 327 CB GLN A 20 17.684 -13.029 -9.329 1.00 0.85 C ATOM 328 CG GLN A 20 19.053 -13.519 -8.861 1.00 1.41 C ATOM 329 CD GLN A 20 20.051 -13.438 -10.018 1.00 1.86 C ATOM 330 OE1 GLN A 20 20.917 -14.281 -10.149 1.00 2.60 O ATOM 331 NE2 GLN A 20 19.967 -12.453 -10.869 1.00 2.30 N ATOM 0 H GLN A 20 15.215 -12.967 -9.701 1.00 0.80 H new ATOM 0 HA GLN A 20 16.899 -13.960 -7.555 1.00 0.77 H new ATOM 0 HB2 GLN A 20 17.326 -13.650 -10.150 1.00 0.85 H new ATOM 0 HB3 GLN A 20 17.762 -12.011 -9.710 1.00 0.85 H new ATOM 0 HG2 GLN A 20 19.401 -12.913 -8.025 1.00 1.41 H new ATOM 0 HG3 GLN A 20 18.980 -14.546 -8.502 1.00 1.41 H new ATOM 0 HE21 GLN A 20 19.241 -11.745 -10.760 1.00 2.30 H new ATOM 0 HE22 GLN A 20 20.628 -12.391 -11.644 1.00 2.30 H new ATOM 340 N GLN A 21 16.413 -10.697 -7.781 1.00 0.64 N ATOM 341 CA GLN A 21 16.507 -9.454 -6.967 1.00 0.59 C ATOM 342 C GLN A 21 15.690 -9.642 -5.689 1.00 0.50 C ATOM 343 O GLN A 21 16.052 -9.170 -4.628 1.00 0.47 O ATOM 344 CB GLN A 21 15.944 -8.274 -7.768 1.00 0.64 C ATOM 345 CG GLN A 21 16.903 -7.906 -8.913 1.00 1.02 C ATOM 346 CD GLN A 21 18.027 -7.005 -8.388 1.00 1.57 C ATOM 347 OE1 GLN A 21 18.654 -7.309 -7.394 1.00 2.34 O ATOM 348 NE2 GLN A 21 18.307 -5.900 -9.023 1.00 1.94 N ATOM 0 H GLN A 21 16.015 -10.578 -8.713 1.00 0.64 H new ATOM 0 HA GLN A 21 17.548 -9.251 -6.716 1.00 0.59 H new ATOM 0 HB2 GLN A 21 14.965 -8.533 -8.172 1.00 0.64 H new ATOM 0 HB3 GLN A 21 15.801 -7.415 -7.113 1.00 0.64 H new ATOM 0 HG2 GLN A 21 17.325 -8.811 -9.349 1.00 1.02 H new ATOM 0 HG3 GLN A 21 16.357 -7.395 -9.706 1.00 1.02 H new ATOM 0 HE21 GLN A 21 17.780 -5.644 -9.858 1.00 1.94 H new ATOM 0 HE22 GLN A 21 19.053 -5.292 -8.684 1.00 1.94 H new ATOM 357 N LEU A 22 14.586 -10.332 -5.784 1.00 0.52 N ATOM 358 CA LEU A 22 13.736 -10.559 -4.586 1.00 0.46 C ATOM 359 C LEU A 22 14.435 -11.539 -3.641 1.00 0.42 C ATOM 360 O LEU A 22 14.321 -11.433 -2.436 1.00 0.40 O ATOM 361 CB LEU A 22 12.390 -11.141 -5.039 1.00 0.52 C ATOM 362 CG LEU A 22 11.448 -11.351 -3.840 1.00 0.59 C ATOM 363 CD1 LEU A 22 10.955 -10.001 -3.300 1.00 0.52 C ATOM 364 CD2 LEU A 22 10.248 -12.183 -4.298 1.00 0.93 C ATOM 0 H LEU A 22 14.236 -10.750 -6.646 1.00 0.52 H new ATOM 0 HA LEU A 22 13.571 -9.618 -4.061 1.00 0.46 H new ATOM 0 HB2 LEU A 22 11.923 -10.469 -5.759 1.00 0.52 H new ATOM 0 HB3 LEU A 22 12.553 -12.091 -5.548 1.00 0.52 H new ATOM 0 HG LEU A 22 11.987 -11.867 -3.046 1.00 0.59 H new ATOM 0 HD11 LEU A 22 10.290 -10.169 -2.453 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.809 -9.404 -2.979 1.00 0.52 H new ATOM 0 HD13 LEU A 22 10.416 -9.470 -4.085 1.00 0.52 H new ATOM 0 HD21 LEU A 22 9.572 -12.340 -3.458 1.00 0.93 H new ATOM 0 HD22 LEU A 22 9.722 -11.655 -5.094 1.00 0.93 H new ATOM 0 HD23 LEU A 22 10.594 -13.147 -4.669 1.00 0.93 H new ATOM 376 N GLU A 23 15.146 -12.500 -4.168 1.00 0.44 N ATOM 377 CA GLU A 23 15.826 -13.478 -3.272 1.00 0.42 C ATOM 378 C GLU A 23 16.989 -12.781 -2.564 1.00 0.38 C ATOM 379 O GLU A 23 17.340 -13.111 -1.449 1.00 0.37 O ATOM 380 CB GLU A 23 16.343 -14.660 -4.093 1.00 0.47 C ATOM 381 CG GLU A 23 16.891 -15.736 -3.155 1.00 1.13 C ATOM 382 CD GLU A 23 17.263 -16.978 -3.967 1.00 1.66 C ATOM 383 OE1 GLU A 23 17.939 -16.824 -4.972 1.00 2.30 O ATOM 384 OE2 GLU A 23 16.866 -18.062 -3.572 1.00 2.28 O ATOM 0 H GLU A 23 15.284 -12.649 -5.168 1.00 0.44 H new ATOM 0 HA GLU A 23 15.120 -13.851 -2.530 1.00 0.42 H new ATOM 0 HB2 GLU A 23 15.539 -15.071 -4.704 1.00 0.47 H new ATOM 0 HB3 GLU A 23 17.124 -14.327 -4.776 1.00 0.47 H new ATOM 0 HG2 GLU A 23 17.766 -15.360 -2.624 1.00 1.13 H new ATOM 0 HG3 GLU A 23 16.146 -15.991 -2.401 1.00 1.13 H new ATOM 391 N ILE A 24 17.581 -11.807 -3.204 1.00 0.39 N ATOM 392 CA ILE A 24 18.709 -11.075 -2.572 1.00 0.39 C ATOM 393 C ILE A 24 18.203 -10.414 -1.287 1.00 0.36 C ATOM 394 O ILE A 24 18.808 -10.525 -0.240 1.00 0.37 O ATOM 395 CB ILE A 24 19.222 -10.014 -3.554 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.974 -10.707 -4.702 1.00 0.52 C ATOM 397 CG2 ILE A 24 20.169 -9.049 -2.837 1.00 0.48 C ATOM 398 CD1 ILE A 24 20.255 -9.717 -5.849 1.00 0.89 C ATOM 0 H ILE A 24 17.328 -11.489 -4.140 1.00 0.39 H new ATOM 0 HA ILE A 24 19.524 -11.756 -2.328 1.00 0.39 H new ATOM 0 HB ILE A 24 18.375 -9.454 -3.950 1.00 0.44 H new ATOM 0 HG12 ILE A 24 20.913 -11.118 -4.332 1.00 0.52 H new ATOM 0 HG13 ILE A 24 19.385 -11.545 -5.075 1.00 0.52 H new ATOM 0 HG21 ILE A 24 20.528 -8.300 -3.543 1.00 0.48 H new ATOM 0 HG22 ILE A 24 19.638 -8.556 -2.023 1.00 0.48 H new ATOM 0 HG23 ILE A 24 21.017 -9.603 -2.434 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.788 -10.230 -6.650 1.00 0.89 H new ATOM 0 HD12 ILE A 24 19.312 -9.327 -6.232 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.864 -8.893 -5.477 1.00 0.89 H new ATOM 410 N LEU A 25 17.090 -9.734 -1.359 1.00 0.34 N ATOM 411 CA LEU A 25 16.541 -9.077 -0.139 1.00 0.34 C ATOM 412 C LEU A 25 16.205 -10.152 0.899 1.00 0.32 C ATOM 413 O LEU A 25 16.257 -9.917 2.089 1.00 0.34 O ATOM 414 CB LEU A 25 15.272 -8.297 -0.499 1.00 0.36 C ATOM 415 CG LEU A 25 15.577 -7.275 -1.604 1.00 0.38 C ATOM 416 CD1 LEU A 25 14.261 -6.745 -2.181 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.390 -6.101 -1.035 1.00 0.41 C ATOM 0 H LEU A 25 16.539 -9.606 -2.208 1.00 0.34 H new ATOM 0 HA LEU A 25 17.280 -8.388 0.270 1.00 0.34 H new ATOM 0 HB2 LEU A 25 14.495 -8.985 -0.833 1.00 0.36 H new ATOM 0 HB3 LEU A 25 14.887 -7.786 0.384 1.00 0.36 H new ATOM 0 HG LEU A 25 16.158 -7.763 -2.387 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.474 -6.019 -2.966 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.687 -7.573 -2.598 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.684 -6.266 -1.390 1.00 0.44 H new ATOM 0 HD21 LEU A 25 16.599 -5.384 -1.829 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.819 -5.612 -0.246 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.329 -6.473 -0.626 1.00 0.41 H new ATOM 429 N ARG A 26 15.871 -11.334 0.454 1.00 0.31 N ATOM 430 CA ARG A 26 15.545 -12.428 1.412 1.00 0.33 C ATOM 431 C ARG A 26 16.847 -12.936 2.034 1.00 0.31 C ATOM 432 O ARG A 26 16.923 -13.202 3.217 1.00 0.32 O ATOM 433 CB ARG A 26 14.840 -13.573 0.669 1.00 0.38 C ATOM 434 CG ARG A 26 14.112 -14.488 1.677 1.00 0.69 C ATOM 435 CD ARG A 26 14.010 -15.916 1.125 1.00 1.00 C ATOM 436 NE ARG A 26 13.769 -15.880 -0.354 1.00 1.36 N ATOM 437 CZ ARG A 26 12.770 -15.212 -0.864 1.00 1.86 C ATOM 438 NH1 ARG A 26 11.854 -14.699 -0.090 1.00 2.36 N ATOM 439 NH2 ARG A 26 12.658 -15.102 -2.160 1.00 2.46 N ATOM 0 H ARG A 26 15.810 -11.588 -0.532 1.00 0.31 H new ATOM 0 HA ARG A 26 14.882 -12.056 2.193 1.00 0.33 H new ATOM 0 HB2 ARG A 26 14.126 -13.167 -0.048 1.00 0.38 H new ATOM 0 HB3 ARG A 26 15.568 -14.151 0.101 1.00 0.38 H new ATOM 0 HG2 ARG A 26 14.649 -14.495 2.625 1.00 0.69 H new ATOM 0 HG3 ARG A 26 13.115 -14.097 1.879 1.00 0.69 H new ATOM 0 HD2 ARG A 26 14.928 -16.463 1.339 1.00 1.00 H new ATOM 0 HD3 ARG A 26 13.199 -16.449 1.621 1.00 1.00 H new ATOM 0 HE ARG A 26 14.399 -16.388 -0.975 1.00 1.36 H new ATOM 0 HH11 ARG A 26 11.915 -14.818 0.921 1.00 2.36 H new ATOM 0 HH12 ARG A 26 11.076 -14.178 -0.496 1.00 2.36 H new ATOM 0 HH21 ARG A 26 13.350 -15.537 -2.770 1.00 2.46 H new ATOM 0 HH22 ARG A 26 11.879 -14.581 -2.562 1.00 2.46 H new ATOM 453 N GLN A 27 17.880 -13.044 1.244 1.00 0.31 N ATOM 454 CA GLN A 27 19.192 -13.502 1.777 1.00 0.32 C ATOM 455 C GLN A 27 19.653 -12.536 2.866 1.00 0.31 C ATOM 456 O GLN A 27 20.133 -12.934 3.908 1.00 0.33 O ATOM 457 CB GLN A 27 20.219 -13.494 0.641 1.00 0.33 C ATOM 458 CG GLN A 27 21.517 -14.140 1.130 1.00 0.99 C ATOM 459 CD GLN A 27 22.519 -14.216 -0.024 1.00 1.48 C ATOM 460 OE1 GLN A 27 22.136 -14.340 -1.170 1.00 2.02 O ATOM 461 NE2 GLN A 27 23.796 -14.146 0.233 1.00 2.23 N ATOM 0 H GLN A 27 17.870 -12.833 0.246 1.00 0.31 H new ATOM 0 HA GLN A 27 19.095 -14.507 2.188 1.00 0.32 H new ATOM 0 HB2 GLN A 27 19.830 -14.038 -0.220 1.00 0.33 H new ATOM 0 HB3 GLN A 27 20.409 -12.472 0.314 1.00 0.33 H new ATOM 0 HG2 GLN A 27 21.937 -13.560 1.952 1.00 0.99 H new ATOM 0 HG3 GLN A 27 21.315 -15.139 1.516 1.00 0.99 H new ATOM 0 HE21 GLN A 27 24.118 -14.042 1.195 1.00 2.23 H new ATOM 0 HE22 GLN A 27 24.473 -14.195 -0.528 1.00 2.23 H new ATOM 470 N GLN A 28 19.510 -11.261 2.622 1.00 0.30 N ATOM 471 CA GLN A 28 19.937 -10.250 3.628 1.00 0.31 C ATOM 472 C GLN A 28 19.024 -10.341 4.853 1.00 0.30 C ATOM 473 O GLN A 28 19.458 -10.186 5.977 1.00 0.34 O ATOM 474 CB GLN A 28 19.841 -8.847 3.003 1.00 0.33 C ATOM 475 CG GLN A 28 20.792 -7.883 3.723 1.00 1.10 C ATOM 476 CD GLN A 28 22.231 -8.146 3.270 1.00 1.61 C ATOM 477 OE1 GLN A 28 23.132 -7.404 3.609 1.00 2.28 O ATOM 478 NE2 GLN A 28 22.486 -9.177 2.512 1.00 2.28 N ATOM 0 H GLN A 28 19.114 -10.876 1.765 1.00 0.30 H new ATOM 0 HA GLN A 28 20.966 -10.438 3.934 1.00 0.31 H new ATOM 0 HB2 GLN A 28 20.092 -8.894 1.943 1.00 0.33 H new ATOM 0 HB3 GLN A 28 18.817 -8.479 3.072 1.00 0.33 H new ATOM 0 HG2 GLN A 28 20.514 -6.852 3.505 1.00 1.10 H new ATOM 0 HG3 GLN A 28 20.710 -8.014 4.802 1.00 1.10 H new ATOM 0 HE21 GLN A 28 21.730 -9.800 2.227 1.00 2.28 H new ATOM 0 HE22 GLN A 28 23.441 -9.360 2.204 1.00 2.28 H new ATOM 487 N VAL A 29 17.761 -10.592 4.644 1.00 0.27 N ATOM 488 CA VAL A 29 16.826 -10.693 5.798 1.00 0.28 C ATOM 489 C VAL A 29 17.135 -11.976 6.580 1.00 0.30 C ATOM 490 O VAL A 29 17.309 -11.955 7.782 1.00 0.33 O ATOM 491 CB VAL A 29 15.382 -10.718 5.272 1.00 0.27 C ATOM 492 CG1 VAL A 29 14.422 -11.203 6.369 1.00 0.30 C ATOM 493 CG2 VAL A 29 14.983 -9.305 4.829 1.00 0.27 C ATOM 0 H VAL A 29 17.338 -10.731 3.727 1.00 0.27 H new ATOM 0 HA VAL A 29 16.946 -9.836 6.461 1.00 0.28 H new ATOM 0 HB VAL A 29 15.322 -11.403 4.426 1.00 0.27 H new ATOM 0 HG11 VAL A 29 13.403 -11.215 5.982 1.00 0.30 H new ATOM 0 HG12 VAL A 29 14.704 -12.209 6.681 1.00 0.30 H new ATOM 0 HG13 VAL A 29 14.477 -10.529 7.224 1.00 0.30 H new ATOM 0 HG21 VAL A 29 13.959 -9.316 4.455 1.00 0.27 H new ATOM 0 HG22 VAL A 29 15.051 -8.625 5.678 1.00 0.27 H new ATOM 0 HG23 VAL A 29 15.654 -8.968 4.039 1.00 0.27 H new ATOM 503 N VAL A 30 17.197 -13.091 5.906 1.00 0.31 N ATOM 504 CA VAL A 30 17.487 -14.376 6.603 1.00 0.35 C ATOM 505 C VAL A 30 18.904 -14.351 7.176 1.00 0.37 C ATOM 506 O VAL A 30 19.145 -14.789 8.283 1.00 0.42 O ATOM 507 CB VAL A 30 17.374 -15.522 5.598 1.00 0.35 C ATOM 508 CG1 VAL A 30 17.675 -16.847 6.294 1.00 0.40 C ATOM 509 CG2 VAL A 30 15.958 -15.554 5.022 1.00 0.35 C ATOM 0 H VAL A 30 17.059 -13.168 4.898 1.00 0.31 H new ATOM 0 HA VAL A 30 16.774 -14.515 7.416 1.00 0.35 H new ATOM 0 HB VAL A 30 18.091 -15.370 4.791 1.00 0.35 H new ATOM 0 HG11 VAL A 30 17.594 -17.662 5.575 1.00 0.40 H new ATOM 0 HG12 VAL A 30 18.685 -16.822 6.702 1.00 0.40 H new ATOM 0 HG13 VAL A 30 16.961 -17.004 7.103 1.00 0.40 H new ATOM 0 HG21 VAL A 30 15.875 -16.371 4.305 1.00 0.35 H new ATOM 0 HG22 VAL A 30 15.240 -15.705 5.828 1.00 0.35 H new ATOM 0 HG23 VAL A 30 15.747 -14.609 4.521 1.00 0.35 H new ATOM 519 N SER A 31 19.847 -13.860 6.422 1.00 0.36 N ATOM 520 CA SER A 31 21.254 -13.828 6.916 1.00 0.39 C ATOM 521 C SER A 31 21.351 -12.978 8.188 1.00 0.42 C ATOM 522 O SER A 31 22.177 -13.225 9.043 1.00 0.47 O ATOM 523 CB SER A 31 22.162 -13.241 5.834 1.00 0.38 C ATOM 524 OG SER A 31 23.496 -13.180 6.321 1.00 1.36 O ATOM 0 H SER A 31 19.706 -13.480 5.486 1.00 0.36 H new ATOM 0 HA SER A 31 21.572 -14.845 7.148 1.00 0.39 H new ATOM 0 HB2 SER A 31 22.119 -13.855 4.935 1.00 0.38 H new ATOM 0 HB3 SER A 31 21.818 -12.245 5.556 1.00 0.38 H new ATOM 0 HG SER A 31 24.080 -12.806 5.629 1.00 1.36 H new ATOM 530 N GLU A 32 20.525 -11.974 8.319 1.00 0.42 N ATOM 531 CA GLU A 32 20.590 -11.114 9.537 1.00 0.47 C ATOM 532 C GLU A 32 19.826 -11.784 10.682 1.00 0.49 C ATOM 533 O GLU A 32 19.897 -11.355 11.816 1.00 0.54 O ATOM 534 CB GLU A 32 19.968 -9.749 9.233 1.00 0.48 C ATOM 535 CG GLU A 32 20.893 -8.962 8.301 1.00 0.79 C ATOM 536 CD GLU A 32 20.149 -7.741 7.757 1.00 1.50 C ATOM 537 OE1 GLU A 32 19.439 -7.892 6.777 1.00 2.23 O ATOM 538 OE2 GLU A 32 20.302 -6.675 8.331 1.00 2.22 O ATOM 0 H GLU A 32 19.811 -11.713 7.639 1.00 0.42 H new ATOM 0 HA GLU A 32 21.631 -10.980 9.830 1.00 0.47 H new ATOM 0 HB2 GLU A 32 18.991 -9.878 8.768 1.00 0.48 H new ATOM 0 HB3 GLU A 32 19.810 -9.195 10.159 1.00 0.48 H new ATOM 0 HG2 GLU A 32 21.787 -8.647 8.839 1.00 0.79 H new ATOM 0 HG3 GLU A 32 21.224 -9.596 7.478 1.00 0.79 H new ATOM 545 N GLY A 33 19.111 -12.845 10.393 1.00 0.47 N ATOM 546 CA GLY A 33 18.349 -13.571 11.462 1.00 0.50 C ATOM 547 C GLY A 33 16.864 -13.661 11.093 1.00 0.50 C ATOM 548 O GLY A 33 16.033 -13.974 11.922 1.00 0.66 O ATOM 0 H GLY A 33 19.021 -13.242 9.458 1.00 0.47 H new ATOM 0 HA2 GLY A 33 18.759 -14.572 11.593 1.00 0.50 H new ATOM 0 HA3 GLY A 33 18.463 -13.053 12.414 1.00 0.50 H new ATOM 552 N GLY A 34 16.520 -13.399 9.862 1.00 0.43 N ATOM 553 CA GLY A 34 15.088 -13.486 9.458 1.00 0.43 C ATOM 554 C GLY A 34 14.267 -12.412 10.206 1.00 0.43 C ATOM 555 O GLY A 34 14.520 -11.238 10.013 1.00 0.41 O ATOM 0 H GLY A 34 17.166 -13.129 9.120 1.00 0.43 H new ATOM 0 HA2 GLY A 34 14.995 -13.343 8.381 1.00 0.43 H new ATOM 0 HA3 GLY A 34 14.697 -14.478 9.683 1.00 0.43 H new ATOM 559 N PRO A 35 13.308 -12.802 11.036 1.00 0.47 N ATOM 560 CA PRO A 35 12.497 -11.809 11.768 1.00 0.51 C ATOM 561 C PRO A 35 13.408 -10.894 12.597 1.00 0.52 C ATOM 562 O PRO A 35 13.224 -9.694 12.641 1.00 0.64 O ATOM 563 CB PRO A 35 11.561 -12.643 12.675 1.00 0.57 C ATOM 564 CG PRO A 35 11.826 -14.143 12.369 1.00 0.58 C ATOM 565 CD PRO A 35 12.953 -14.214 11.318 1.00 0.52 C ATOM 0 HA PRO A 35 11.929 -11.159 11.102 1.00 0.51 H new ATOM 0 HB2 PRO A 35 11.753 -12.427 13.726 1.00 0.57 H new ATOM 0 HB3 PRO A 35 10.518 -12.391 12.483 1.00 0.57 H new ATOM 0 HG2 PRO A 35 12.115 -14.673 13.276 1.00 0.58 H new ATOM 0 HG3 PRO A 35 10.922 -14.623 11.994 1.00 0.58 H new ATOM 0 HD2 PRO A 35 13.812 -14.768 11.697 1.00 0.52 H new ATOM 0 HD3 PRO A 35 12.618 -14.724 10.415 1.00 0.52 H new ATOM 573 N THR A 36 14.383 -11.455 13.255 1.00 0.50 N ATOM 574 CA THR A 36 15.300 -10.624 14.082 1.00 0.50 C ATOM 575 C THR A 36 16.158 -9.741 13.173 1.00 0.48 C ATOM 576 O THR A 36 17.095 -9.107 13.616 1.00 0.48 O ATOM 577 CB THR A 36 16.210 -11.539 14.906 1.00 0.51 C ATOM 578 OG1 THR A 36 16.895 -12.427 14.038 1.00 0.69 O ATOM 579 CG2 THR A 36 15.369 -12.342 15.899 1.00 0.80 C ATOM 0 H THR A 36 14.585 -12.455 13.256 1.00 0.50 H new ATOM 0 HA THR A 36 14.712 -9.993 14.749 1.00 0.50 H new ATOM 0 HB THR A 36 16.933 -10.934 15.453 1.00 0.51 H new ATOM 0 HG1 THR A 36 16.245 -12.916 13.491 1.00 0.69 H new ATOM 0 HG21 THR A 36 16.019 -12.992 16.484 1.00 0.80 H new ATOM 0 HG22 THR A 36 14.843 -11.659 16.566 1.00 0.80 H new ATOM 0 HG23 THR A 36 14.644 -12.948 15.355 1.00 0.80 H new ATOM 587 N ALA A 37 15.848 -9.691 11.906 1.00 0.48 N ATOM 588 CA ALA A 37 16.652 -8.845 10.978 1.00 0.48 C ATOM 589 C ALA A 37 16.389 -7.369 11.282 1.00 0.55 C ATOM 590 O ALA A 37 15.365 -7.013 11.830 1.00 1.10 O ATOM 591 CB ALA A 37 16.252 -9.143 9.532 1.00 0.42 C ATOM 0 H ALA A 37 15.075 -10.198 11.474 1.00 0.48 H new ATOM 0 HA ALA A 37 17.711 -9.066 11.113 1.00 0.48 H new ATOM 0 HB1 ALA A 37 16.841 -8.523 8.856 1.00 0.42 H new ATOM 0 HB2 ALA A 37 16.436 -10.195 9.313 1.00 0.42 H new ATOM 0 HB3 ALA A 37 15.193 -8.924 9.395 1.00 0.42 H new ATOM 597 N THR A 38 17.302 -6.506 10.929 1.00 0.45 N ATOM 598 CA THR A 38 17.093 -5.057 11.199 1.00 0.46 C ATOM 599 C THR A 38 15.767 -4.620 10.562 1.00 0.40 C ATOM 600 O THR A 38 15.139 -5.369 9.841 1.00 0.36 O ATOM 601 CB THR A 38 18.276 -4.255 10.613 1.00 0.48 C ATOM 602 OG1 THR A 38 19.372 -5.133 10.402 1.00 0.66 O ATOM 603 CG2 THR A 38 18.699 -3.146 11.583 1.00 0.66 C ATOM 0 H THR A 38 18.180 -6.741 10.467 1.00 0.45 H new ATOM 0 HA THR A 38 17.047 -4.871 12.272 1.00 0.46 H new ATOM 0 HB THR A 38 17.968 -3.803 9.670 1.00 0.48 H new ATOM 0 HG1 THR A 38 19.333 -5.491 9.491 1.00 0.66 H new ATOM 0 HG21 THR A 38 19.534 -2.589 11.157 1.00 0.66 H new ATOM 0 HG22 THR A 38 17.860 -2.471 11.752 1.00 0.66 H new ATOM 0 HG23 THR A 38 19.004 -3.589 12.531 1.00 0.66 H new ATOM 611 N ILE A 39 15.332 -3.420 10.831 1.00 0.47 N ATOM 612 CA ILE A 39 14.042 -2.946 10.251 1.00 0.45 C ATOM 613 C ILE A 39 14.207 -2.669 8.751 1.00 0.40 C ATOM 614 O ILE A 39 13.387 -3.060 7.944 1.00 0.38 O ATOM 615 CB ILE A 39 13.616 -1.661 10.972 1.00 0.55 C ATOM 616 CG1 ILE A 39 13.220 -2.000 12.414 1.00 0.73 C ATOM 617 CG2 ILE A 39 12.425 -1.025 10.248 1.00 0.53 C ATOM 618 CD1 ILE A 39 13.093 -0.712 13.229 1.00 0.73 C ATOM 0 H ILE A 39 15.813 -2.747 11.427 1.00 0.47 H new ATOM 0 HA ILE A 39 13.280 -3.714 10.381 1.00 0.45 H new ATOM 0 HB ILE A 39 14.447 -0.955 10.974 1.00 0.55 H new ATOM 0 HG12 ILE A 39 12.275 -2.543 12.424 1.00 0.73 H new ATOM 0 HG13 ILE A 39 13.968 -2.654 12.863 1.00 0.73 H new ATOM 0 HG21 ILE A 39 12.129 -0.113 10.766 1.00 0.53 H new ATOM 0 HG22 ILE A 39 12.708 -0.784 9.223 1.00 0.53 H new ATOM 0 HG23 ILE A 39 11.589 -1.725 10.238 1.00 0.53 H new ATOM 0 HD11 ILE A 39 12.811 -0.956 14.253 1.00 0.73 H new ATOM 0 HD12 ILE A 39 14.048 -0.187 13.230 1.00 0.73 H new ATOM 0 HD13 ILE A 39 12.329 -0.074 12.785 1.00 0.73 H new ATOM 630 N GLN A 40 15.252 -1.989 8.377 1.00 0.42 N ATOM 631 CA GLN A 40 15.466 -1.671 6.935 1.00 0.43 C ATOM 632 C GLN A 40 15.430 -2.954 6.099 1.00 0.35 C ATOM 633 O GLN A 40 15.106 -2.933 4.928 1.00 0.37 O ATOM 634 CB GLN A 40 16.824 -0.986 6.762 1.00 0.53 C ATOM 635 CG GLN A 40 16.910 -0.363 5.367 1.00 1.38 C ATOM 636 CD GLN A 40 18.258 0.344 5.204 1.00 1.91 C ATOM 637 OE1 GLN A 40 18.885 0.712 6.177 1.00 2.54 O ATOM 638 NE2 GLN A 40 18.733 0.549 4.006 1.00 2.43 N ATOM 0 H GLN A 40 15.972 -1.637 9.009 1.00 0.42 H new ATOM 0 HA GLN A 40 14.672 -1.006 6.596 1.00 0.43 H new ATOM 0 HB2 GLN A 40 16.955 -0.217 7.523 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.628 -1.710 6.899 1.00 0.53 H new ATOM 0 HG2 GLN A 40 16.798 -1.135 4.605 1.00 1.38 H new ATOM 0 HG3 GLN A 40 16.096 0.347 5.224 1.00 1.38 H new ATOM 0 HE21 GLN A 40 18.207 0.240 3.189 1.00 2.43 H new ATOM 0 HE22 GLN A 40 19.631 1.018 3.887 1.00 2.43 H new ATOM 647 N SER A 41 15.773 -4.066 6.684 1.00 0.31 N ATOM 648 CA SER A 41 15.773 -5.345 5.916 1.00 0.28 C ATOM 649 C SER A 41 14.335 -5.767 5.602 1.00 0.24 C ATOM 650 O SER A 41 14.015 -6.123 4.486 1.00 0.25 O ATOM 651 CB SER A 41 16.461 -6.435 6.742 1.00 0.29 C ATOM 652 OG SER A 41 17.635 -5.900 7.338 1.00 1.32 O ATOM 0 H SER A 41 16.054 -4.147 7.661 1.00 0.31 H new ATOM 0 HA SER A 41 16.313 -5.201 4.980 1.00 0.28 H new ATOM 0 HB2 SER A 41 15.785 -6.806 7.512 1.00 0.29 H new ATOM 0 HB3 SER A 41 16.716 -7.283 6.106 1.00 0.29 H new ATOM 0 HG SER A 41 17.809 -6.358 8.186 1.00 1.32 H new ATOM 658 N ARG A 42 13.467 -5.732 6.575 1.00 0.22 N ATOM 659 CA ARG A 42 12.054 -6.133 6.324 1.00 0.21 C ATOM 660 C ARG A 42 11.367 -5.064 5.473 1.00 0.20 C ATOM 661 O ARG A 42 10.548 -5.360 4.627 1.00 0.20 O ATOM 662 CB ARG A 42 11.319 -6.273 7.659 1.00 0.24 C ATOM 663 CG ARG A 42 11.828 -7.513 8.398 1.00 0.52 C ATOM 664 CD ARG A 42 11.228 -7.555 9.805 1.00 0.82 C ATOM 665 NE ARG A 42 11.838 -6.480 10.638 1.00 1.50 N ATOM 666 CZ ARG A 42 11.289 -6.139 11.771 1.00 1.92 C ATOM 667 NH1 ARG A 42 10.206 -6.744 12.180 1.00 1.83 N ATOM 668 NH2 ARG A 42 11.822 -5.195 12.497 1.00 2.91 N ATOM 0 H ARG A 42 13.674 -5.444 7.531 1.00 0.22 H new ATOM 0 HA ARG A 42 12.034 -7.087 5.797 1.00 0.21 H new ATOM 0 HB2 ARG A 42 11.478 -5.383 8.268 1.00 0.24 H new ATOM 0 HB3 ARG A 42 10.246 -6.354 7.488 1.00 0.24 H new ATOM 0 HG2 ARG A 42 11.555 -8.414 7.848 1.00 0.52 H new ATOM 0 HG3 ARG A 42 12.916 -7.493 8.456 1.00 0.52 H new ATOM 0 HD2 ARG A 42 10.147 -7.422 9.755 1.00 0.82 H new ATOM 0 HD3 ARG A 42 11.409 -8.529 10.260 1.00 0.82 H new ATOM 0 HE ARG A 42 12.686 -6.010 10.322 1.00 1.50 H new ATOM 0 HH11 ARG A 42 9.790 -7.483 11.613 1.00 1.83 H new ATOM 0 HH12 ARG A 42 9.777 -6.477 13.066 1.00 1.83 H new ATOM 0 HH21 ARG A 42 12.668 -4.723 12.179 1.00 2.91 H new ATOM 0 HH22 ARG A 42 11.392 -4.929 13.383 1.00 2.91 H new ATOM 682 N PHE A 43 11.687 -3.821 5.702 1.00 0.22 N ATOM 683 CA PHE A 43 11.046 -2.727 4.921 1.00 0.24 C ATOM 684 C PHE A 43 11.196 -3.003 3.417 1.00 0.23 C ATOM 685 O PHE A 43 10.231 -2.989 2.675 1.00 0.23 O ATOM 686 CB PHE A 43 11.718 -1.386 5.292 1.00 0.28 C ATOM 687 CG PHE A 43 10.677 -0.287 5.385 1.00 0.38 C ATOM 688 CD1 PHE A 43 9.752 -0.116 4.349 1.00 1.40 C ATOM 689 CD2 PHE A 43 10.635 0.552 6.507 1.00 1.18 C ATOM 690 CE1 PHE A 43 8.786 0.894 4.433 1.00 1.48 C ATOM 691 CE2 PHE A 43 9.669 1.562 6.590 1.00 1.22 C ATOM 692 CZ PHE A 43 8.744 1.732 5.553 1.00 0.70 C ATOM 0 H PHE A 43 12.367 -3.515 6.398 1.00 0.22 H new ATOM 0 HA PHE A 43 9.983 -2.676 5.158 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.240 -1.484 6.244 1.00 0.28 H new ATOM 0 HB3 PHE A 43 12.466 -1.126 4.543 1.00 0.28 H new ATOM 0 HD1 PHE A 43 9.783 -0.763 3.485 1.00 1.40 H new ATOM 0 HD2 PHE A 43 11.348 0.419 7.307 1.00 1.18 H new ATOM 0 HE1 PHE A 43 8.073 1.026 3.633 1.00 1.48 H new ATOM 0 HE2 PHE A 43 9.637 2.210 7.454 1.00 1.22 H new ATOM 0 HZ PHE A 43 7.998 2.510 5.617 1.00 0.70 H new ATOM 702 N ASN A 44 12.392 -3.255 2.957 1.00 0.24 N ATOM 703 CA ASN A 44 12.585 -3.526 1.504 1.00 0.24 C ATOM 704 C ASN A 44 11.886 -4.836 1.133 1.00 0.22 C ATOM 705 O ASN A 44 11.398 -5.000 0.033 1.00 0.23 O ATOM 706 CB ASN A 44 14.083 -3.636 1.203 1.00 0.25 C ATOM 707 CG ASN A 44 14.312 -3.559 -0.308 1.00 0.95 C ATOM 708 OD1 ASN A 44 13.453 -3.927 -1.085 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.444 -3.093 -0.761 1.00 1.67 N ATOM 0 H ASN A 44 13.240 -3.285 3.522 1.00 0.24 H new ATOM 0 HA ASN A 44 12.157 -2.712 0.919 1.00 0.24 H new ATOM 0 HB2 ASN A 44 14.624 -2.834 1.704 1.00 0.25 H new ATOM 0 HB3 ASN A 44 14.474 -4.576 1.592 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.607 -3.038 -1.766 1.00 1.67 H new ATOM 0 HD22 ASN A 44 16.165 -2.784 -0.110 1.00 1.67 H new ATOM 716 N TYR A 45 11.830 -5.768 2.043 1.00 0.21 N ATOM 717 CA TYR A 45 11.157 -7.062 1.740 1.00 0.20 C ATOM 718 C TYR A 45 9.698 -6.791 1.360 1.00 0.21 C ATOM 719 O TYR A 45 9.128 -7.458 0.518 1.00 0.22 O ATOM 720 CB TYR A 45 11.212 -7.963 2.978 1.00 0.20 C ATOM 721 CG TYR A 45 10.837 -9.379 2.598 1.00 0.21 C ATOM 722 CD1 TYR A 45 11.685 -10.126 1.771 1.00 1.12 C ATOM 723 CD2 TYR A 45 9.646 -9.948 3.074 1.00 1.33 C ATOM 724 CE1 TYR A 45 11.344 -11.437 1.419 1.00 1.05 C ATOM 725 CE2 TYR A 45 9.307 -11.260 2.721 1.00 1.43 C ATOM 726 CZ TYR A 45 10.156 -12.004 1.894 1.00 0.43 C ATOM 727 OH TYR A 45 9.821 -13.297 1.547 1.00 0.57 O ATOM 0 H TYR A 45 12.220 -5.690 2.982 1.00 0.21 H new ATOM 0 HA TYR A 45 11.662 -7.559 0.911 1.00 0.20 H new ATOM 0 HB2 TYR A 45 12.213 -7.945 3.408 1.00 0.20 H new ATOM 0 HB3 TYR A 45 10.530 -7.589 3.742 1.00 0.20 H new ATOM 0 HD1 TYR A 45 12.603 -9.690 1.405 1.00 1.12 H new ATOM 0 HD2 TYR A 45 8.991 -9.374 3.713 1.00 1.33 H new ATOM 0 HE1 TYR A 45 11.998 -12.012 0.780 1.00 1.05 H new ATOM 0 HE2 TYR A 45 8.390 -11.698 3.087 1.00 1.43 H new ATOM 0 HH TYR A 45 8.966 -13.536 1.962 1.00 0.57 H new ATOM 737 N ALA A 46 9.093 -5.811 1.973 1.00 0.22 N ATOM 738 CA ALA A 46 7.674 -5.488 1.653 1.00 0.24 C ATOM 739 C ALA A 46 7.599 -4.783 0.297 1.00 0.25 C ATOM 740 O ALA A 46 6.597 -4.839 -0.387 1.00 0.28 O ATOM 741 CB ALA A 46 7.105 -4.570 2.737 1.00 0.26 C ATOM 0 H ALA A 46 9.522 -5.218 2.684 1.00 0.22 H new ATOM 0 HA ALA A 46 7.094 -6.410 1.613 1.00 0.24 H new ATOM 0 HB1 ALA A 46 6.067 -4.333 2.505 1.00 0.26 H new ATOM 0 HB2 ALA A 46 7.155 -5.073 3.703 1.00 0.26 H new ATOM 0 HB3 ALA A 46 7.688 -3.650 2.777 1.00 0.26 H new ATOM 747 N TRP A 47 8.647 -4.110 -0.092 1.00 0.26 N ATOM 748 CA TRP A 47 8.627 -3.392 -1.400 1.00 0.29 C ATOM 749 C TRP A 47 8.473 -4.393 -2.554 1.00 0.29 C ATOM 750 O TRP A 47 7.642 -4.219 -3.424 1.00 0.29 O ATOM 751 CB TRP A 47 9.935 -2.613 -1.560 1.00 0.33 C ATOM 752 CG TRP A 47 9.974 -1.949 -2.900 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.831 -2.268 -3.896 1.00 0.38 C ATOM 754 CD2 TRP A 47 9.147 -0.859 -3.404 1.00 0.35 C ATOM 755 NE1 TRP A 47 10.584 -1.445 -4.979 1.00 0.40 N ATOM 756 CE2 TRP A 47 9.556 -0.561 -4.726 1.00 0.38 C ATOM 757 CE3 TRP A 47 8.093 -0.108 -2.852 1.00 0.36 C ATOM 758 CZ2 TRP A 47 8.943 0.445 -5.471 1.00 0.42 C ATOM 759 CZ3 TRP A 47 7.474 0.906 -3.602 1.00 0.42 C ATOM 760 CH2 TRP A 47 7.898 1.181 -4.908 1.00 0.44 C ATOM 0 H TRP A 47 9.515 -4.026 0.437 1.00 0.26 H new ATOM 0 HA TRP A 47 7.782 -2.704 -1.422 1.00 0.29 H new ATOM 0 HB2 TRP A 47 10.021 -1.865 -0.772 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.785 -3.287 -1.454 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.585 -3.040 -3.853 1.00 0.38 H new ATOM 0 HE1 TRP A 47 11.099 -1.486 -5.858 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.758 -0.312 -1.846 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 9.274 0.654 -6.478 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 6.666 1.477 -3.169 1.00 0.42 H new ATOM 0 HH2 TRP A 47 7.417 1.961 -5.479 1.00 0.44 H new ATOM 771 N GLY A 48 9.266 -5.434 -2.582 1.00 0.29 N ATOM 772 CA GLY A 48 9.157 -6.424 -3.690 1.00 0.30 C ATOM 773 C GLY A 48 7.837 -7.188 -3.583 1.00 0.27 C ATOM 774 O GLY A 48 7.274 -7.606 -4.575 1.00 0.29 O ATOM 0 H GLY A 48 9.982 -5.639 -1.886 1.00 0.29 H new ATOM 0 HA2 GLY A 48 9.214 -5.913 -4.651 1.00 0.30 H new ATOM 0 HA3 GLY A 48 9.994 -7.121 -3.649 1.00 0.30 H new ATOM 778 N LEU A 49 7.332 -7.375 -2.394 1.00 0.25 N ATOM 779 CA LEU A 49 6.046 -8.113 -2.249 1.00 0.24 C ATOM 780 C LEU A 49 4.910 -7.276 -2.840 1.00 0.24 C ATOM 781 O LEU A 49 3.963 -7.801 -3.390 1.00 0.29 O ATOM 782 CB LEU A 49 5.766 -8.378 -0.765 1.00 0.23 C ATOM 783 CG LEU A 49 6.722 -9.457 -0.227 1.00 0.23 C ATOM 784 CD1 LEU A 49 6.640 -9.490 1.310 1.00 0.24 C ATOM 785 CD2 LEU A 49 6.346 -10.844 -0.792 1.00 0.26 C ATOM 0 H LEU A 49 7.751 -7.051 -1.522 1.00 0.25 H new ATOM 0 HA LEU A 49 6.114 -9.063 -2.778 1.00 0.24 H new ATOM 0 HB2 LEU A 49 5.888 -7.457 -0.195 1.00 0.23 H new ATOM 0 HB3 LEU A 49 4.733 -8.700 -0.634 1.00 0.23 H new ATOM 0 HG LEU A 49 7.738 -9.215 -0.540 1.00 0.23 H new ATOM 0 HD11 LEU A 49 7.316 -10.254 1.694 1.00 0.24 H new ATOM 0 HD12 LEU A 49 6.926 -8.517 1.711 1.00 0.24 H new ATOM 0 HD13 LEU A 49 5.620 -9.722 1.615 1.00 0.24 H new ATOM 0 HD21 LEU A 49 7.033 -11.595 -0.401 1.00 0.26 H new ATOM 0 HD22 LEU A 49 5.328 -11.094 -0.495 1.00 0.26 H new ATOM 0 HD23 LEU A 49 6.412 -10.824 -1.880 1.00 0.26 H new ATOM 797 N ILE A 50 4.996 -5.978 -2.733 1.00 0.24 N ATOM 798 CA ILE A 50 3.918 -5.116 -3.293 1.00 0.26 C ATOM 799 C ILE A 50 4.026 -5.093 -4.820 1.00 0.27 C ATOM 800 O ILE A 50 3.044 -4.919 -5.513 1.00 0.29 O ATOM 801 CB ILE A 50 4.049 -3.695 -2.727 1.00 0.28 C ATOM 802 CG1 ILE A 50 3.655 -3.712 -1.246 1.00 0.32 C ATOM 803 CG2 ILE A 50 3.122 -2.740 -3.490 1.00 0.32 C ATOM 804 CD1 ILE A 50 4.038 -2.384 -0.588 1.00 0.73 C ATOM 0 H ILE A 50 5.764 -5.479 -2.283 1.00 0.24 H new ATOM 0 HA ILE A 50 2.944 -5.517 -3.013 1.00 0.26 H new ATOM 0 HB ILE A 50 5.078 -3.353 -2.836 1.00 0.28 H new ATOM 0 HG12 ILE A 50 2.582 -3.880 -1.148 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.154 -4.537 -0.738 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.221 -1.734 -3.082 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.396 -2.733 -4.545 1.00 0.32 H new ATOM 0 HG23 ILE A 50 2.090 -3.074 -3.385 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.755 -2.404 0.464 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.114 -2.234 -0.671 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.518 -1.567 -1.088 1.00 0.73 H new ATOM 816 N LYS A 51 5.201 -5.269 -5.361 1.00 0.28 N ATOM 817 CA LYS A 51 5.339 -5.259 -6.845 1.00 0.31 C ATOM 818 C LYS A 51 4.760 -6.559 -7.413 1.00 0.31 C ATOM 819 O LYS A 51 4.498 -6.669 -8.594 1.00 0.36 O ATOM 820 CB LYS A 51 6.830 -5.155 -7.213 1.00 0.37 C ATOM 821 CG LYS A 51 7.276 -3.688 -7.191 1.00 0.72 C ATOM 822 CD LYS A 51 8.801 -3.608 -7.369 1.00 0.79 C ATOM 823 CE LYS A 51 9.192 -2.218 -7.880 1.00 0.87 C ATOM 824 NZ LYS A 51 10.659 -2.016 -7.708 1.00 1.58 N ATOM 0 H LYS A 51 6.067 -5.418 -4.843 1.00 0.28 H new ATOM 0 HA LYS A 51 4.801 -4.408 -7.262 1.00 0.31 H new ATOM 0 HB2 LYS A 51 7.428 -5.736 -6.510 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.999 -5.580 -8.202 1.00 0.37 H new ATOM 0 HG2 LYS A 51 6.778 -3.134 -7.987 1.00 0.72 H new ATOM 0 HG3 LYS A 51 6.985 -3.223 -6.249 1.00 0.72 H new ATOM 0 HD2 LYS A 51 9.298 -3.810 -6.420 1.00 0.79 H new ATOM 0 HD3 LYS A 51 9.135 -4.371 -8.072 1.00 0.79 H new ATOM 0 HE2 LYS A 51 8.922 -2.117 -8.931 1.00 0.87 H new ATOM 0 HE3 LYS A 51 8.643 -1.451 -7.334 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 10.872 -0.998 -7.709 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 10.963 -2.432 -6.805 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 11.167 -2.477 -8.490 1.00 1.58 H new ATOM 838 N SER A 52 4.567 -7.545 -6.582 1.00 0.32 N ATOM 839 CA SER A 52 4.013 -8.838 -7.074 1.00 0.34 C ATOM 840 C SER A 52 2.649 -8.603 -7.726 1.00 0.35 C ATOM 841 O SER A 52 1.982 -7.622 -7.465 1.00 0.36 O ATOM 842 CB SER A 52 3.855 -9.801 -5.899 1.00 0.36 C ATOM 843 OG SER A 52 3.301 -11.024 -6.365 1.00 1.14 O ATOM 0 H SER A 52 4.769 -7.512 -5.583 1.00 0.32 H new ATOM 0 HA SER A 52 4.694 -9.265 -7.810 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.822 -9.982 -5.430 1.00 0.36 H new ATOM 0 HB3 SER A 52 3.209 -9.362 -5.139 1.00 0.36 H new ATOM 0 HG SER A 52 3.307 -11.683 -5.640 1.00 1.14 H new ATOM 849 N THR A 53 2.236 -9.498 -8.583 1.00 0.38 N ATOM 850 CA THR A 53 0.921 -9.337 -9.271 1.00 0.41 C ATOM 851 C THR A 53 -0.202 -9.928 -8.412 1.00 0.40 C ATOM 852 O THR A 53 -1.330 -9.479 -8.463 1.00 0.52 O ATOM 853 CB THR A 53 0.961 -10.066 -10.616 1.00 0.46 C ATOM 854 OG1 THR A 53 1.171 -11.453 -10.394 1.00 0.51 O ATOM 855 CG2 THR A 53 2.099 -9.505 -11.470 1.00 0.49 C ATOM 0 H THR A 53 2.755 -10.338 -8.838 1.00 0.38 H new ATOM 0 HA THR A 53 0.730 -8.275 -9.427 1.00 0.41 H new ATOM 0 HB THR A 53 0.015 -9.920 -11.137 1.00 0.46 H new ATOM 0 HG1 THR A 53 1.195 -11.922 -11.254 1.00 0.51 H new ATOM 0 HG21 THR A 53 2.126 -10.025 -12.427 1.00 0.49 H new ATOM 0 HG22 THR A 53 1.936 -8.441 -11.640 1.00 0.49 H new ATOM 0 HG23 THR A 53 3.047 -9.649 -10.952 1.00 0.49 H new ATOM 863 N ASP A 54 0.085 -10.940 -7.635 1.00 0.39 N ATOM 864 CA ASP A 54 -0.985 -11.558 -6.796 1.00 0.38 C ATOM 865 C ASP A 54 -1.264 -10.691 -5.563 1.00 0.37 C ATOM 866 O ASP A 54 -0.414 -9.980 -5.067 1.00 0.36 O ATOM 867 CB ASP A 54 -0.566 -12.964 -6.362 1.00 0.38 C ATOM 868 CG ASP A 54 -0.103 -13.759 -7.584 1.00 1.31 C ATOM 869 OD1 ASP A 54 -0.892 -13.908 -8.502 1.00 2.18 O ATOM 870 OD2 ASP A 54 1.033 -14.206 -7.580 1.00 1.86 O ATOM 0 H ASP A 54 1.009 -11.363 -7.545 1.00 0.39 H new ATOM 0 HA ASP A 54 -1.897 -11.626 -7.390 1.00 0.38 H new ATOM 0 HB2 ASP A 54 0.237 -12.905 -5.628 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -1.402 -13.471 -5.880 1.00 0.38 H new ATOM 875 N VAL A 55 -2.477 -10.763 -5.079 1.00 0.37 N ATOM 876 CA VAL A 55 -2.892 -9.972 -3.883 1.00 0.37 C ATOM 877 C VAL A 55 -2.406 -10.646 -2.596 1.00 0.35 C ATOM 878 O VAL A 55 -2.341 -10.030 -1.551 1.00 0.35 O ATOM 879 CB VAL A 55 -4.424 -9.866 -3.866 1.00 0.39 C ATOM 880 CG1 VAL A 55 -5.047 -11.200 -3.437 1.00 0.42 C ATOM 881 CG2 VAL A 55 -4.852 -8.767 -2.889 1.00 0.40 C ATOM 0 H VAL A 55 -3.213 -11.350 -5.472 1.00 0.37 H new ATOM 0 HA VAL A 55 -2.448 -8.978 -3.938 1.00 0.37 H new ATOM 0 HB VAL A 55 -4.769 -9.621 -4.870 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -6.133 -11.109 -3.430 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -4.753 -11.981 -4.138 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -4.698 -11.460 -2.438 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -5.939 -8.693 -2.878 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -4.495 -9.010 -1.888 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -4.427 -7.814 -3.204 1.00 0.40 H new ATOM 891 N ASN A 56 -2.047 -11.893 -2.665 1.00 0.34 N ATOM 892 CA ASN A 56 -1.555 -12.584 -1.440 1.00 0.34 C ATOM 893 C ASN A 56 -0.344 -11.823 -0.892 1.00 0.31 C ATOM 894 O ASN A 56 -0.260 -11.522 0.285 1.00 0.31 O ATOM 895 CB ASN A 56 -1.149 -14.018 -1.787 1.00 0.36 C ATOM 896 CG ASN A 56 -2.378 -14.791 -2.270 1.00 1.34 C ATOM 897 OD1 ASN A 56 -2.326 -15.993 -2.440 1.00 2.14 O ATOM 898 ND2 ASN A 56 -3.490 -14.147 -2.500 1.00 2.11 N ATOM 0 H ASN A 56 -2.071 -12.464 -3.510 1.00 0.34 H new ATOM 0 HA ASN A 56 -2.344 -12.610 -0.689 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -0.381 -14.013 -2.561 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -0.718 -14.507 -0.913 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -4.315 -14.653 -2.822 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -3.534 -13.138 -2.357 1.00 2.11 H new ATOM 905 N ASP A 57 0.592 -11.505 -1.741 1.00 0.30 N ATOM 906 CA ASP A 57 1.800 -10.763 -1.289 1.00 0.30 C ATOM 907 C ASP A 57 1.421 -9.321 -0.933 1.00 0.29 C ATOM 908 O ASP A 57 2.009 -8.715 -0.059 1.00 0.28 O ATOM 909 CB ASP A 57 2.827 -10.758 -2.422 1.00 0.33 C ATOM 910 CG ASP A 57 3.469 -12.142 -2.542 1.00 0.42 C ATOM 911 OD1 ASP A 57 3.811 -12.706 -1.517 1.00 1.23 O ATOM 912 OD2 ASP A 57 3.607 -12.614 -3.659 1.00 1.09 O ATOM 0 H ASP A 57 0.571 -11.729 -2.736 1.00 0.30 H new ATOM 0 HA ASP A 57 2.221 -11.246 -0.407 1.00 0.30 H new ATOM 0 HB2 ASP A 57 2.345 -10.487 -3.361 1.00 0.33 H new ATOM 0 HB3 ASP A 57 3.593 -10.007 -2.228 1.00 0.33 H new ATOM 917 N GLU A 58 0.448 -8.762 -1.603 1.00 0.33 N ATOM 918 CA GLU A 58 0.045 -7.358 -1.297 1.00 0.36 C ATOM 919 C GLU A 58 -0.456 -7.271 0.145 1.00 0.34 C ATOM 920 O GLU A 58 -0.119 -6.361 0.877 1.00 0.34 O ATOM 921 CB GLU A 58 -1.076 -6.924 -2.245 1.00 0.42 C ATOM 922 CG GLU A 58 -0.591 -7.005 -3.694 1.00 0.92 C ATOM 923 CD GLU A 58 0.389 -5.866 -3.978 1.00 1.66 C ATOM 924 OE1 GLU A 58 0.603 -5.057 -3.089 1.00 2.21 O ATOM 925 OE2 GLU A 58 0.907 -5.821 -5.081 1.00 2.45 O ATOM 0 H GLU A 58 -0.083 -9.215 -2.346 1.00 0.33 H new ATOM 0 HA GLU A 58 0.907 -6.703 -1.427 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -1.948 -7.563 -2.108 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -1.387 -5.906 -2.013 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -0.107 -7.966 -3.872 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -1.440 -6.945 -4.375 1.00 0.92 H new ATOM 932 N ARG A 59 -1.256 -8.212 0.560 1.00 0.33 N ATOM 933 CA ARG A 59 -1.779 -8.188 1.955 1.00 0.34 C ATOM 934 C ARG A 59 -0.633 -8.453 2.932 1.00 0.30 C ATOM 935 O ARG A 59 -0.677 -8.047 4.077 1.00 0.31 O ATOM 936 CB ARG A 59 -2.853 -9.269 2.119 1.00 0.40 C ATOM 937 CG ARG A 59 -4.154 -8.806 1.453 1.00 0.68 C ATOM 938 CD ARG A 59 -5.230 -9.897 1.583 1.00 0.95 C ATOM 939 NE ARG A 59 -6.176 -9.810 0.425 1.00 1.62 N ATOM 940 CZ ARG A 59 -6.734 -8.676 0.091 1.00 2.13 C ATOM 941 NH1 ARG A 59 -6.633 -7.634 0.869 1.00 2.23 N ATOM 942 NH2 ARG A 59 -7.447 -8.601 -0.999 1.00 3.12 N ATOM 0 H ARG A 59 -1.571 -8.999 -0.007 1.00 0.33 H new ATOM 0 HA ARG A 59 -2.215 -7.211 2.163 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -2.515 -10.203 1.670 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -3.025 -9.468 3.177 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -4.502 -7.884 1.918 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -3.975 -8.584 0.401 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -4.763 -10.881 1.611 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -5.774 -9.776 2.520 1.00 0.95 H new ATOM 0 HE ARG A 59 -6.389 -10.650 -0.112 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -6.116 -7.700 1.746 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -7.071 -6.753 0.601 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -7.568 -9.425 -1.587 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -7.884 -7.718 -1.263 1.00 3.12 H new ATOM 956 N LEU A 60 0.403 -9.113 2.490 1.00 0.28 N ATOM 957 CA LEU A 60 1.552 -9.382 3.399 1.00 0.27 C ATOM 958 C LEU A 60 2.365 -8.095 3.574 1.00 0.25 C ATOM 959 O LEU A 60 2.697 -7.703 4.675 1.00 0.26 O ATOM 960 CB LEU A 60 2.434 -10.479 2.788 1.00 0.29 C ATOM 961 CG LEU A 60 3.692 -10.702 3.643 1.00 0.30 C ATOM 962 CD1 LEU A 60 3.302 -11.022 5.094 1.00 0.32 C ATOM 963 CD2 LEU A 60 4.489 -11.872 3.056 1.00 0.34 C ATOM 0 H LEU A 60 0.503 -9.476 1.542 1.00 0.28 H new ATOM 0 HA LEU A 60 1.189 -9.714 4.371 1.00 0.27 H new ATOM 0 HB2 LEU A 60 1.869 -11.408 2.714 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.722 -10.199 1.775 1.00 0.29 H new ATOM 0 HG LEU A 60 4.297 -9.796 3.637 1.00 0.30 H new ATOM 0 HD11 LEU A 60 4.203 -11.177 5.687 1.00 0.32 H new ATOM 0 HD12 LEU A 60 2.733 -10.190 5.510 1.00 0.32 H new ATOM 0 HD13 LEU A 60 2.693 -11.926 5.116 1.00 0.32 H new ATOM 0 HD21 LEU A 60 5.384 -12.039 3.655 1.00 0.34 H new ATOM 0 HD22 LEU A 60 3.874 -12.772 3.064 1.00 0.34 H new ATOM 0 HD23 LEU A 60 4.777 -11.638 2.031 1.00 0.34 H new ATOM 975 N GLY A 61 2.686 -7.435 2.493 1.00 0.22 N ATOM 976 CA GLY A 61 3.475 -6.173 2.591 1.00 0.21 C ATOM 977 C GLY A 61 2.725 -5.159 3.460 1.00 0.20 C ATOM 978 O GLY A 61 3.303 -4.505 4.305 1.00 0.21 O ATOM 0 H GLY A 61 2.435 -7.716 1.545 1.00 0.22 H new ATOM 0 HA2 GLY A 61 4.456 -6.379 3.020 1.00 0.21 H new ATOM 0 HA3 GLY A 61 3.643 -5.760 1.596 1.00 0.21 H new ATOM 982 N VAL A 62 1.441 -5.022 3.261 1.00 0.20 N ATOM 983 CA VAL A 62 0.660 -4.049 4.079 1.00 0.21 C ATOM 984 C VAL A 62 0.861 -4.371 5.563 1.00 0.22 C ATOM 985 O VAL A 62 1.175 -3.509 6.360 1.00 0.25 O ATOM 986 CB VAL A 62 -0.835 -4.159 3.704 1.00 0.23 C ATOM 987 CG1 VAL A 62 -1.728 -3.705 4.873 1.00 0.28 C ATOM 988 CG2 VAL A 62 -1.119 -3.283 2.479 1.00 0.31 C ATOM 0 H VAL A 62 0.900 -5.541 2.569 1.00 0.20 H new ATOM 0 HA VAL A 62 1.001 -3.032 3.885 1.00 0.21 H new ATOM 0 HB VAL A 62 -1.060 -5.202 3.479 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -2.776 -3.791 4.585 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -1.537 -4.334 5.742 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -1.504 -2.667 5.120 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -2.173 -3.360 2.213 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -0.877 -2.245 2.710 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -0.508 -3.620 1.641 1.00 0.31 H new ATOM 998 N LYS A 63 0.672 -5.602 5.937 1.00 0.24 N ATOM 999 CA LYS A 63 0.840 -5.978 7.365 1.00 0.28 C ATOM 1000 C LYS A 63 2.259 -5.628 7.824 1.00 0.26 C ATOM 1001 O LYS A 63 2.452 -5.016 8.855 1.00 0.29 O ATOM 1002 CB LYS A 63 0.595 -7.484 7.510 1.00 0.33 C ATOM 1003 CG LYS A 63 1.073 -7.971 8.884 1.00 0.47 C ATOM 1004 CD LYS A 63 0.572 -9.393 9.135 1.00 0.58 C ATOM 1005 CE LYS A 63 1.115 -10.340 8.058 1.00 1.60 C ATOM 1006 NZ LYS A 63 1.029 -11.745 8.548 1.00 2.36 N ATOM 0 H LYS A 63 0.408 -6.366 5.315 1.00 0.24 H new ATOM 0 HA LYS A 63 0.127 -5.432 7.983 1.00 0.28 H new ATOM 0 HB2 LYS A 63 -0.467 -7.700 7.389 1.00 0.33 H new ATOM 0 HB3 LYS A 63 1.122 -8.023 6.722 1.00 0.33 H new ATOM 0 HG2 LYS A 63 2.162 -7.946 8.930 1.00 0.47 H new ATOM 0 HG3 LYS A 63 0.706 -7.304 9.664 1.00 0.47 H new ATOM 0 HD2 LYS A 63 0.890 -9.730 10.121 1.00 0.58 H new ATOM 0 HD3 LYS A 63 -0.518 -9.409 9.129 1.00 0.58 H new ATOM 0 HE2 LYS A 63 0.543 -10.228 7.137 1.00 1.60 H new ATOM 0 HE3 LYS A 63 2.149 -10.087 7.823 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 1.397 -12.390 7.820 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 1.593 -11.845 9.416 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 0.037 -11.982 8.751 1.00 2.36 H new ATOM 1020 N ILE A 64 3.252 -6.012 7.071 1.00 0.25 N ATOM 1021 CA ILE A 64 4.648 -5.701 7.477 1.00 0.25 C ATOM 1022 C ILE A 64 4.789 -4.184 7.643 1.00 0.22 C ATOM 1023 O ILE A 64 5.257 -3.698 8.653 1.00 0.22 O ATOM 1024 CB ILE A 64 5.615 -6.206 6.395 1.00 0.28 C ATOM 1025 CG1 ILE A 64 5.698 -7.734 6.462 1.00 0.33 C ATOM 1026 CG2 ILE A 64 7.012 -5.614 6.614 1.00 0.32 C ATOM 1027 CD1 ILE A 64 6.371 -8.268 5.194 1.00 0.35 C ATOM 0 H ILE A 64 3.156 -6.526 6.195 1.00 0.25 H new ATOM 0 HA ILE A 64 4.884 -6.192 8.421 1.00 0.25 H new ATOM 0 HB ILE A 64 5.246 -5.896 5.417 1.00 0.28 H new ATOM 0 HG12 ILE A 64 6.264 -8.039 7.342 1.00 0.33 H new ATOM 0 HG13 ILE A 64 4.699 -8.159 6.562 1.00 0.33 H new ATOM 0 HG21 ILE A 64 7.687 -5.980 5.841 1.00 0.32 H new ATOM 0 HG22 ILE A 64 6.958 -4.526 6.564 1.00 0.32 H new ATOM 0 HG23 ILE A 64 7.385 -5.914 7.593 1.00 0.32 H new ATOM 0 HD11 ILE A 64 6.429 -9.355 5.243 1.00 0.35 H new ATOM 0 HD12 ILE A 64 5.787 -7.975 4.321 1.00 0.35 H new ATOM 0 HD13 ILE A 64 7.376 -7.854 5.114 1.00 0.35 H new ATOM 1039 N LEU A 65 4.387 -3.437 6.653 1.00 0.20 N ATOM 1040 CA LEU A 65 4.496 -1.954 6.739 1.00 0.19 C ATOM 1041 C LEU A 65 3.715 -1.442 7.952 1.00 0.19 C ATOM 1042 O LEU A 65 4.078 -0.453 8.557 1.00 0.20 O ATOM 1043 CB LEU A 65 3.922 -1.320 5.468 1.00 0.22 C ATOM 1044 CG LEU A 65 4.825 -1.633 4.262 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.059 -1.340 2.968 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.100 -0.770 4.302 1.00 0.42 C ATOM 0 H LEU A 65 3.986 -3.791 5.785 1.00 0.20 H new ATOM 0 HA LEU A 65 5.547 -1.683 6.843 1.00 0.19 H new ATOM 0 HB2 LEU A 65 2.916 -1.699 5.286 1.00 0.22 H new ATOM 0 HB3 LEU A 65 3.837 -0.241 5.598 1.00 0.22 H new ATOM 0 HG LEU A 65 5.110 -2.684 4.300 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.695 -1.560 2.111 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.165 -1.962 2.926 1.00 0.69 H new ATOM 0 HD13 LEU A 65 3.771 -0.289 2.946 1.00 0.69 H new ATOM 0 HD21 LEU A 65 6.726 -1.006 3.441 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.826 0.285 4.274 1.00 0.42 H new ATOM 0 HD23 LEU A 65 6.651 -0.978 5.219 1.00 0.42 H new ATOM 1058 N THR A 66 2.660 -2.113 8.332 1.00 0.21 N ATOM 1059 CA THR A 66 1.878 -1.667 9.515 1.00 0.25 C ATOM 1060 C THR A 66 2.570 -2.143 10.794 1.00 0.28 C ATOM 1061 O THR A 66 2.459 -1.531 11.837 1.00 0.31 O ATOM 1062 CB THR A 66 0.476 -2.272 9.443 1.00 0.29 C ATOM 1063 OG1 THR A 66 -0.087 -2.009 8.166 1.00 0.43 O ATOM 1064 CG2 THR A 66 -0.402 -1.655 10.526 1.00 0.36 C ATOM 0 H THR A 66 2.308 -2.952 7.871 1.00 0.21 H new ATOM 0 HA THR A 66 1.812 -0.579 9.523 1.00 0.25 H new ATOM 0 HB THR A 66 0.536 -3.349 9.598 1.00 0.29 H new ATOM 0 HG1 THR A 66 0.150 -2.732 7.549 1.00 0.43 H new ATOM 0 HG21 THR A 66 -1.401 -2.087 10.474 1.00 0.36 H new ATOM 0 HG22 THR A 66 0.031 -1.859 11.505 1.00 0.36 H new ATOM 0 HG23 THR A 66 -0.464 -0.577 10.374 1.00 0.36 H new ATOM 1072 N ASP A 67 3.303 -3.219 10.716 1.00 0.29 N ATOM 1073 CA ASP A 67 4.019 -3.719 11.921 1.00 0.34 C ATOM 1074 C ASP A 67 5.219 -2.808 12.176 1.00 0.32 C ATOM 1075 O ASP A 67 5.486 -2.403 13.290 1.00 0.35 O ATOM 1076 CB ASP A 67 4.496 -5.153 11.677 1.00 0.40 C ATOM 1077 CG ASP A 67 5.000 -5.757 12.989 1.00 1.30 C ATOM 1078 OD1 ASP A 67 5.403 -4.996 13.853 1.00 1.94 O ATOM 1079 OD2 ASP A 67 4.976 -6.971 13.107 1.00 2.12 O ATOM 0 H ASP A 67 3.437 -3.773 9.870 1.00 0.29 H new ATOM 0 HA ASP A 67 3.355 -3.714 12.786 1.00 0.34 H new ATOM 0 HB2 ASP A 67 3.680 -5.755 11.278 1.00 0.40 H new ATOM 0 HB3 ASP A 67 5.292 -5.160 10.932 1.00 0.40 H new ATOM 1084 N ILE A 68 5.939 -2.481 11.140 1.00 0.30 N ATOM 1085 CA ILE A 68 7.123 -1.590 11.285 1.00 0.29 C ATOM 1086 C ILE A 68 6.647 -0.177 11.659 1.00 0.27 C ATOM 1087 O ILE A 68 7.329 0.560 12.341 1.00 0.31 O ATOM 1088 CB ILE A 68 7.879 -1.562 9.950 1.00 0.30 C ATOM 1089 CG1 ILE A 68 8.286 -2.993 9.565 1.00 0.34 C ATOM 1090 CG2 ILE A 68 9.133 -0.696 10.080 1.00 0.33 C ATOM 1091 CD1 ILE A 68 8.725 -3.032 8.100 1.00 0.35 C ATOM 0 H ILE A 68 5.755 -2.797 10.188 1.00 0.30 H new ATOM 0 HA ILE A 68 7.786 -1.957 12.069 1.00 0.29 H new ATOM 0 HB ILE A 68 7.232 -1.143 9.180 1.00 0.30 H new ATOM 0 HG12 ILE A 68 9.098 -3.335 10.207 1.00 0.34 H new ATOM 0 HG13 ILE A 68 7.449 -3.673 9.721 1.00 0.34 H new ATOM 0 HG21 ILE A 68 9.665 -0.681 9.129 1.00 0.33 H new ATOM 0 HG22 ILE A 68 8.847 0.320 10.352 1.00 0.33 H new ATOM 0 HG23 ILE A 68 9.782 -1.109 10.852 1.00 0.33 H new ATOM 0 HD11 ILE A 68 9.012 -4.049 7.833 1.00 0.35 H new ATOM 0 HD12 ILE A 68 7.900 -2.709 7.464 1.00 0.35 H new ATOM 0 HD13 ILE A 68 9.576 -2.365 7.957 1.00 0.35 H new ATOM 1103 N TYR A 69 5.463 0.185 11.239 1.00 0.26 N ATOM 1104 CA TYR A 69 4.920 1.533 11.589 1.00 0.26 C ATOM 1105 C TYR A 69 4.607 1.556 13.092 1.00 0.28 C ATOM 1106 O TYR A 69 4.806 2.548 13.765 1.00 0.34 O ATOM 1107 CB TYR A 69 3.646 1.801 10.772 1.00 0.29 C ATOM 1108 CG TYR A 69 2.838 2.932 11.383 1.00 0.27 C ATOM 1109 CD1 TYR A 69 3.112 4.265 11.046 1.00 1.25 C ATOM 1110 CD2 TYR A 69 1.808 2.641 12.282 1.00 1.22 C ATOM 1111 CE1 TYR A 69 2.353 5.299 11.615 1.00 1.28 C ATOM 1112 CE2 TYR A 69 1.053 3.672 12.849 1.00 1.23 C ATOM 1113 CZ TYR A 69 1.326 5.001 12.517 1.00 0.38 C ATOM 1114 OH TYR A 69 0.583 6.020 13.078 1.00 0.47 O ATOM 0 H TYR A 69 4.847 -0.394 10.668 1.00 0.26 H new ATOM 0 HA TYR A 69 5.649 2.309 11.357 1.00 0.26 H new ATOM 0 HB2 TYR A 69 3.914 2.053 9.746 1.00 0.29 H new ATOM 0 HB3 TYR A 69 3.039 0.897 10.730 1.00 0.29 H new ATOM 0 HD1 TYR A 69 3.905 4.495 10.350 1.00 1.25 H new ATOM 0 HD2 TYR A 69 1.594 1.614 12.540 1.00 1.22 H new ATOM 0 HE1 TYR A 69 2.562 6.326 11.356 1.00 1.28 H new ATOM 0 HE2 TYR A 69 0.259 3.441 13.544 1.00 1.23 H new ATOM 0 HH TYR A 69 -0.090 5.641 13.681 1.00 0.47 H new ATOM 1124 N LYS A 70 4.113 0.466 13.619 1.00 0.31 N ATOM 1125 CA LYS A 70 3.778 0.414 15.073 1.00 0.38 C ATOM 1126 C LYS A 70 5.052 0.298 15.916 1.00 0.38 C ATOM 1127 O LYS A 70 5.070 0.676 17.071 1.00 0.45 O ATOM 1128 CB LYS A 70 2.896 -0.810 15.354 1.00 0.50 C ATOM 1129 CG LYS A 70 1.525 -0.627 14.703 1.00 0.79 C ATOM 1130 CD LYS A 70 0.760 -1.954 14.720 1.00 0.88 C ATOM 1131 CE LYS A 70 0.616 -2.460 16.160 1.00 1.50 C ATOM 1132 NZ LYS A 70 1.863 -3.169 16.563 1.00 2.26 N ATOM 0 H LYS A 70 3.927 -0.394 13.103 1.00 0.31 H new ATOM 0 HA LYS A 70 3.251 1.331 15.336 1.00 0.38 H new ATOM 0 HB2 LYS A 70 3.374 -1.710 14.967 1.00 0.50 H new ATOM 0 HB3 LYS A 70 2.782 -0.947 16.429 1.00 0.50 H new ATOM 0 HG2 LYS A 70 0.958 0.137 15.236 1.00 0.79 H new ATOM 0 HG3 LYS A 70 1.643 -0.278 13.677 1.00 0.79 H new ATOM 0 HD2 LYS A 70 -0.225 -1.821 14.273 1.00 0.88 H new ATOM 0 HD3 LYS A 70 1.286 -2.694 14.117 1.00 0.88 H new ATOM 0 HE2 LYS A 70 0.426 -1.624 16.833 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -0.239 -3.132 16.237 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 1.619 -4.088 16.984 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 2.462 -3.320 15.727 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 2.379 -2.595 17.260 1.00 2.26 H new ATOM 1146 N GLU A 71 6.107 -0.256 15.367 1.00 0.40 N ATOM 1147 CA GLU A 71 7.369 -0.440 16.159 1.00 0.52 C ATOM 1148 C GLU A 71 8.436 0.585 15.763 1.00 0.55 C ATOM 1149 O GLU A 71 9.261 0.966 16.569 1.00 1.13 O ATOM 1150 CB GLU A 71 7.915 -1.843 15.886 1.00 0.63 C ATOM 1151 CG GLU A 71 9.124 -2.103 16.786 1.00 0.99 C ATOM 1152 CD GLU A 71 9.541 -3.570 16.674 1.00 1.55 C ATOM 1153 OE1 GLU A 71 9.643 -4.053 15.558 1.00 2.27 O ATOM 1154 OE2 GLU A 71 9.752 -4.187 17.706 1.00 2.13 O ATOM 0 H GLU A 71 6.150 -0.590 14.404 1.00 0.40 H new ATOM 0 HA GLU A 71 7.136 -0.303 17.215 1.00 0.52 H new ATOM 0 HB2 GLU A 71 7.142 -2.588 16.073 1.00 0.63 H new ATOM 0 HB3 GLU A 71 8.201 -1.936 14.838 1.00 0.63 H new ATOM 0 HG2 GLU A 71 9.952 -1.456 16.496 1.00 0.99 H new ATOM 0 HG3 GLU A 71 8.879 -1.862 17.820 1.00 0.99 H new ATOM 1161 N ALA A 72 8.444 1.023 14.529 1.00 0.59 N ATOM 1162 CA ALA A 72 9.480 2.008 14.079 1.00 0.57 C ATOM 1163 C ALA A 72 8.881 3.416 14.019 1.00 0.65 C ATOM 1164 O ALA A 72 8.458 3.879 12.979 1.00 1.23 O ATOM 1165 CB ALA A 72 9.980 1.607 12.691 1.00 0.60 C ATOM 0 H ALA A 72 7.777 0.741 13.811 1.00 0.59 H new ATOM 0 HA ALA A 72 10.308 2.008 14.788 1.00 0.57 H new ATOM 0 HB1 ALA A 72 10.734 2.319 12.356 1.00 0.60 H new ATOM 0 HB2 ALA A 72 10.417 0.609 12.736 1.00 0.60 H new ATOM 0 HB3 ALA A 72 9.145 1.606 11.990 1.00 0.60 H new ATOM 1171 N GLU A 73 8.837 4.094 15.130 1.00 0.71 N ATOM 1172 CA GLU A 73 8.263 5.470 15.148 1.00 0.77 C ATOM 1173 C GLU A 73 8.844 6.335 14.011 1.00 0.65 C ATOM 1174 O GLU A 73 8.237 6.460 12.973 1.00 1.06 O ATOM 1175 CB GLU A 73 8.490 6.141 16.526 1.00 1.08 C ATOM 1176 CG GLU A 73 9.985 6.213 16.943 1.00 1.79 C ATOM 1177 CD GLU A 73 10.796 5.046 16.370 1.00 2.15 C ATOM 1178 OE1 GLU A 73 10.738 3.971 16.946 1.00 2.60 O ATOM 1179 OE2 GLU A 73 11.455 5.244 15.362 1.00 2.62 O ATOM 0 H GLU A 73 9.175 3.755 16.031 1.00 0.71 H new ATOM 0 HA GLU A 73 7.189 5.386 14.982 1.00 0.77 H new ATOM 0 HB2 GLU A 73 8.079 7.150 16.502 1.00 1.08 H new ATOM 0 HB3 GLU A 73 7.936 5.589 17.285 1.00 1.08 H new ATOM 0 HG2 GLU A 73 10.412 7.155 16.600 1.00 1.79 H new ATOM 0 HG3 GLU A 73 10.059 6.207 18.030 1.00 1.79 H new ATOM 1186 N SER A 74 9.988 6.945 14.199 1.00 0.75 N ATOM 1187 CA SER A 74 10.583 7.826 13.140 1.00 0.62 C ATOM 1188 C SER A 74 10.334 7.283 11.726 1.00 0.55 C ATOM 1189 O SER A 74 9.912 8.007 10.846 1.00 0.63 O ATOM 1190 CB SER A 74 12.089 7.940 13.368 1.00 0.82 C ATOM 1191 OG SER A 74 12.620 8.930 12.497 1.00 1.55 O ATOM 0 H SER A 74 10.544 6.871 15.051 1.00 0.75 H new ATOM 0 HA SER A 74 10.102 8.801 13.214 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.293 8.204 14.406 1.00 0.82 H new ATOM 0 HB3 SER A 74 12.571 6.980 13.183 1.00 0.82 H new ATOM 0 HG SER A 74 13.548 9.122 12.747 1.00 1.55 H new ATOM 1197 N ARG A 75 10.610 6.033 11.487 1.00 0.48 N ATOM 1198 CA ARG A 75 10.404 5.480 10.115 1.00 0.45 C ATOM 1199 C ARG A 75 8.909 5.441 9.775 1.00 0.42 C ATOM 1200 O ARG A 75 8.498 4.783 8.840 1.00 0.50 O ATOM 1201 CB ARG A 75 10.972 4.059 10.038 1.00 0.52 C ATOM 1202 CG ARG A 75 12.373 4.010 10.664 1.00 0.81 C ATOM 1203 CD ARG A 75 13.348 4.879 9.856 1.00 1.10 C ATOM 1204 NE ARG A 75 13.223 6.301 10.287 1.00 1.49 N ATOM 1205 CZ ARG A 75 14.148 7.164 9.966 1.00 2.08 C ATOM 1206 NH1 ARG A 75 15.183 6.783 9.266 1.00 2.63 N ATOM 1207 NH2 ARG A 75 14.041 8.408 10.345 1.00 2.72 N ATOM 0 H ARG A 75 10.967 5.371 12.176 1.00 0.48 H new ATOM 0 HA ARG A 75 10.919 6.123 9.401 1.00 0.45 H new ATOM 0 HB2 ARG A 75 10.310 3.367 10.558 1.00 0.52 H new ATOM 0 HB3 ARG A 75 11.019 3.735 8.998 1.00 0.52 H new ATOM 0 HG2 ARG A 75 12.331 4.361 11.695 1.00 0.81 H new ATOM 0 HG3 ARG A 75 12.730 2.981 10.692 1.00 0.81 H new ATOM 0 HD2 ARG A 75 14.370 4.532 10.005 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.133 4.791 8.791 1.00 1.10 H new ATOM 0 HE ARG A 75 12.415 6.599 10.833 1.00 1.49 H new ATOM 0 HH11 ARG A 75 15.269 5.811 8.970 1.00 2.63 H new ATOM 0 HH12 ARG A 75 15.906 7.458 9.015 1.00 2.63 H new ATOM 0 HH21 ARG A 75 13.234 8.707 10.893 1.00 2.72 H new ATOM 0 HH22 ARG A 75 14.764 9.082 10.094 1.00 2.72 H new ATOM 1221 N ARG A 76 8.088 6.127 10.524 1.00 0.41 N ATOM 1222 CA ARG A 76 6.623 6.109 10.235 1.00 0.47 C ATOM 1223 C ARG A 76 6.297 6.955 9.000 1.00 0.43 C ATOM 1224 O ARG A 76 5.470 6.587 8.191 1.00 0.45 O ATOM 1225 CB ARG A 76 5.861 6.677 11.432 1.00 0.57 C ATOM 1226 CG ARG A 76 6.330 8.108 11.709 1.00 1.08 C ATOM 1227 CD ARG A 76 5.835 8.548 13.089 1.00 1.14 C ATOM 1228 NE ARG A 76 4.335 8.513 13.121 1.00 1.76 N ATOM 1229 CZ ARG A 76 3.620 9.207 12.276 1.00 2.01 C ATOM 1230 NH1 ARG A 76 4.181 10.112 11.521 1.00 1.55 N ATOM 1231 NH2 ARG A 76 2.328 9.036 12.226 1.00 3.05 N ATOM 0 H ARG A 76 8.367 6.698 11.322 1.00 0.41 H new ATOM 0 HA ARG A 76 6.326 5.077 10.047 1.00 0.47 H new ATOM 0 HB2 ARG A 76 4.790 6.667 11.231 1.00 0.57 H new ATOM 0 HB3 ARG A 76 6.027 6.053 12.310 1.00 0.57 H new ATOM 0 HG2 ARG A 76 7.418 8.160 11.667 1.00 1.08 H new ATOM 0 HG3 ARG A 76 5.949 8.782 10.942 1.00 1.08 H new ATOM 0 HD2 ARG A 76 6.241 7.891 13.858 1.00 1.14 H new ATOM 0 HD3 ARG A 76 6.190 9.555 13.310 1.00 1.14 H new ATOM 0 HE ARG A 76 3.864 7.935 13.817 1.00 1.76 H new ATOM 0 HH11 ARG A 76 5.185 10.282 11.588 1.00 1.55 H new ATOM 0 HH12 ARG A 76 3.616 10.650 10.864 1.00 1.55 H new ATOM 0 HH21 ARG A 76 1.878 8.362 12.846 1.00 3.05 H new ATOM 0 HH22 ARG A 76 1.767 9.576 11.567 1.00 3.05 H new ATOM 1245 N ARG A 77 6.921 8.092 8.854 1.00 0.40 N ATOM 1246 CA ARG A 77 6.614 8.958 7.680 1.00 0.43 C ATOM 1247 C ARG A 77 6.732 8.137 6.396 1.00 0.39 C ATOM 1248 O ARG A 77 5.906 8.233 5.509 1.00 0.39 O ATOM 1249 CB ARG A 77 7.594 10.135 7.638 1.00 0.48 C ATOM 1250 CG ARG A 77 7.254 11.117 8.763 1.00 1.10 C ATOM 1251 CD ARG A 77 8.374 12.151 8.902 1.00 1.24 C ATOM 1252 NE ARG A 77 7.968 13.187 9.894 1.00 1.80 N ATOM 1253 CZ ARG A 77 8.859 13.999 10.395 1.00 2.30 C ATOM 1254 NH1 ARG A 77 10.107 13.910 10.024 1.00 2.43 N ATOM 1255 NH2 ARG A 77 8.501 14.902 11.267 1.00 3.22 N ATOM 0 H ARG A 77 7.627 8.458 9.493 1.00 0.40 H new ATOM 0 HA ARG A 77 5.598 9.343 7.768 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.617 9.776 7.750 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.537 10.637 6.672 1.00 0.48 H new ATOM 0 HG2 ARG A 77 6.309 11.617 8.549 1.00 1.10 H new ATOM 0 HG3 ARG A 77 7.125 10.579 9.702 1.00 1.10 H new ATOM 0 HD2 ARG A 77 9.295 11.665 9.223 1.00 1.24 H new ATOM 0 HD3 ARG A 77 8.578 12.615 7.937 1.00 1.24 H new ATOM 0 HE ARG A 77 6.992 13.262 10.182 1.00 1.80 H new ATOM 0 HH11 ARG A 77 10.387 13.205 9.342 1.00 2.43 H new ATOM 0 HH12 ARG A 77 10.802 14.545 10.416 1.00 2.43 H new ATOM 0 HH21 ARG A 77 7.526 14.973 11.557 1.00 3.22 H new ATOM 0 HH22 ARG A 77 9.197 15.537 11.659 1.00 3.22 H new ATOM 1269 N GLU A 78 7.746 7.328 6.287 1.00 0.36 N ATOM 1270 CA GLU A 78 7.903 6.501 5.060 1.00 0.36 C ATOM 1271 C GLU A 78 6.769 5.476 4.985 1.00 0.30 C ATOM 1272 O GLU A 78 6.266 5.171 3.922 1.00 0.32 O ATOM 1273 CB GLU A 78 9.246 5.769 5.113 1.00 0.40 C ATOM 1274 CG GLU A 78 10.387 6.781 4.985 1.00 0.91 C ATOM 1275 CD GLU A 78 10.436 7.322 3.554 1.00 1.56 C ATOM 1276 OE1 GLU A 78 9.815 6.722 2.692 1.00 2.13 O ATOM 1277 OE2 GLU A 78 11.094 8.328 3.345 1.00 2.33 O ATOM 0 H GLU A 78 8.472 7.203 6.993 1.00 0.36 H new ATOM 0 HA GLU A 78 7.869 7.144 4.180 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.336 5.221 6.051 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.304 5.036 4.308 1.00 0.40 H new ATOM 0 HG2 GLU A 78 10.241 7.600 5.689 1.00 0.91 H new ATOM 0 HG3 GLU A 78 11.336 6.308 5.238 1.00 0.91 H new ATOM 1284 N CYS A 79 6.359 4.942 6.105 1.00 0.27 N ATOM 1285 CA CYS A 79 5.260 3.932 6.095 1.00 0.25 C ATOM 1286 C CYS A 79 3.964 4.570 5.587 1.00 0.23 C ATOM 1287 O CYS A 79 3.268 4.004 4.767 1.00 0.24 O ATOM 1288 CB CYS A 79 5.043 3.401 7.512 1.00 0.29 C ATOM 1289 SG CYS A 79 6.593 2.710 8.142 1.00 1.19 S ATOM 0 H CYS A 79 6.738 5.161 7.026 1.00 0.27 H new ATOM 0 HA CYS A 79 5.537 3.112 5.433 1.00 0.25 H new ATOM 0 HB2 CYS A 79 4.699 4.204 8.164 1.00 0.29 H new ATOM 0 HB3 CYS A 79 4.266 2.637 7.510 1.00 0.29 H new ATOM 0 HG CYS A 79 7.506 3.635 8.157 1.00 1.19 H new ATOM 1295 N LEU A 80 3.629 5.738 6.064 1.00 0.23 N ATOM 1296 CA LEU A 80 2.373 6.393 5.596 1.00 0.23 C ATOM 1297 C LEU A 80 2.390 6.457 4.069 1.00 0.21 C ATOM 1298 O LEU A 80 1.391 6.229 3.415 1.00 0.21 O ATOM 1299 CB LEU A 80 2.285 7.812 6.166 1.00 0.26 C ATOM 1300 CG LEU A 80 2.329 7.767 7.699 1.00 0.27 C ATOM 1301 CD1 LEU A 80 2.336 9.199 8.243 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.103 7.014 8.244 1.00 0.42 C ATOM 0 H LEU A 80 4.166 6.265 6.753 1.00 0.23 H new ATOM 0 HA LEU A 80 1.511 5.819 5.936 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.110 8.416 5.788 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.363 8.289 5.835 1.00 0.26 H new ATOM 0 HG LEU A 80 3.231 7.245 8.018 1.00 0.27 H new ATOM 0 HD11 LEU A 80 2.367 9.174 9.332 1.00 0.34 H new ATOM 0 HD12 LEU A 80 3.212 9.727 7.867 1.00 0.34 H new ATOM 0 HD13 LEU A 80 1.433 9.716 7.918 1.00 0.34 H new ATOM 0 HD21 LEU A 80 1.146 6.989 9.333 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.193 7.524 7.928 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.101 5.995 7.857 1.00 0.42 H new ATOM 1314 N TYR A 81 3.519 6.767 3.497 1.00 0.22 N ATOM 1315 CA TYR A 81 3.608 6.847 2.013 1.00 0.23 C ATOM 1316 C TYR A 81 3.486 5.441 1.413 1.00 0.22 C ATOM 1317 O TYR A 81 2.695 5.205 0.521 1.00 0.22 O ATOM 1318 CB TYR A 81 4.956 7.458 1.624 1.00 0.26 C ATOM 1319 CG TYR A 81 5.030 7.618 0.123 1.00 0.30 C ATOM 1320 CD1 TYR A 81 4.400 8.705 -0.497 1.00 1.26 C ATOM 1321 CD2 TYR A 81 5.733 6.684 -0.649 1.00 1.05 C ATOM 1322 CE1 TYR A 81 4.471 8.857 -1.887 1.00 1.31 C ATOM 1323 CE2 TYR A 81 5.804 6.837 -2.039 1.00 1.04 C ATOM 1324 CZ TYR A 81 5.173 7.923 -2.658 1.00 0.46 C ATOM 1325 OH TYR A 81 5.244 8.073 -4.028 1.00 0.55 O ATOM 0 H TYR A 81 4.386 6.969 3.994 1.00 0.22 H new ATOM 0 HA TYR A 81 2.800 7.470 1.630 1.00 0.23 H new ATOM 0 HB2 TYR A 81 5.081 8.426 2.109 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.769 6.820 1.972 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.859 9.426 0.098 1.00 1.26 H new ATOM 0 HD2 TYR A 81 6.220 5.846 -0.172 1.00 1.05 H new ATOM 0 HE1 TYR A 81 3.984 9.695 -2.364 1.00 1.31 H new ATOM 0 HE2 TYR A 81 6.346 6.117 -2.634 1.00 1.04 H new ATOM 0 HH TYR A 81 5.769 7.339 -4.411 1.00 0.55 H new ATOM 1335 N TYR A 82 4.265 4.506 1.891 1.00 0.23 N ATOM 1336 CA TYR A 82 4.193 3.119 1.338 1.00 0.23 C ATOM 1337 C TYR A 82 2.821 2.492 1.632 1.00 0.22 C ATOM 1338 O TYR A 82 2.324 1.696 0.861 1.00 0.24 O ATOM 1339 CB TYR A 82 5.296 2.252 1.966 1.00 0.25 C ATOM 1340 CG TYR A 82 6.638 2.591 1.345 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.861 2.346 -0.017 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.660 3.148 2.129 1.00 1.13 C ATOM 1343 CE1 TYR A 82 8.098 2.659 -0.592 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.897 3.459 1.551 1.00 1.12 C ATOM 1345 CZ TYR A 82 9.115 3.215 0.191 1.00 0.31 C ATOM 1346 OH TYR A 82 10.334 3.523 -0.378 1.00 0.36 O ATOM 0 H TYR A 82 4.946 4.641 2.638 1.00 0.23 H new ATOM 0 HA TYR A 82 4.334 3.168 0.258 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.332 2.418 3.043 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.072 1.196 1.813 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.078 1.915 -0.623 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.492 3.337 3.179 1.00 1.13 H new ATOM 0 HE1 TYR A 82 8.268 2.471 -1.642 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.683 3.887 2.155 1.00 1.12 H new ATOM 0 HH TYR A 82 10.927 3.902 0.304 1.00 0.36 H new ATOM 1356 N LEU A 83 2.195 2.842 2.726 1.00 0.21 N ATOM 1357 CA LEU A 83 0.857 2.256 3.027 1.00 0.20 C ATOM 1358 C LEU A 83 -0.137 2.743 1.980 1.00 0.20 C ATOM 1359 O LEU A 83 -0.968 1.992 1.507 1.00 0.25 O ATOM 1360 CB LEU A 83 0.404 2.694 4.428 1.00 0.20 C ATOM 1361 CG LEU A 83 1.128 1.858 5.507 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.166 2.637 6.825 1.00 0.24 C ATOM 1363 CD2 LEU A 83 0.390 0.531 5.738 1.00 0.25 C ATOM 0 H LEU A 83 2.549 3.502 3.418 1.00 0.21 H new ATOM 0 HA LEU A 83 0.912 1.168 3.002 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.618 3.753 4.573 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.675 2.571 4.525 1.00 0.20 H new ATOM 0 HG LEU A 83 2.142 1.654 5.164 1.00 0.22 H new ATOM 0 HD11 LEU A 83 1.677 2.044 7.583 1.00 0.24 H new ATOM 0 HD12 LEU A 83 1.700 3.576 6.677 1.00 0.24 H new ATOM 0 HD13 LEU A 83 0.148 2.846 7.153 1.00 0.24 H new ATOM 0 HD21 LEU A 83 0.911 -0.047 6.501 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -0.628 0.734 6.070 1.00 0.25 H new ATOM 0 HD23 LEU A 83 0.362 -0.037 4.808 1.00 0.25 H new ATOM 1375 N THR A 84 -0.058 3.986 1.590 1.00 0.19 N ATOM 1376 CA THR A 84 -0.993 4.499 0.555 1.00 0.19 C ATOM 1377 C THR A 84 -0.841 3.645 -0.706 1.00 0.22 C ATOM 1378 O THR A 84 -1.807 3.299 -1.356 1.00 0.24 O ATOM 1379 CB THR A 84 -0.630 5.958 0.247 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.424 6.654 1.468 1.00 0.22 O ATOM 1381 CG2 THR A 84 -1.757 6.635 -0.538 1.00 0.18 C ATOM 0 H THR A 84 0.614 4.666 1.945 1.00 0.19 H new ATOM 0 HA THR A 84 -2.024 4.448 0.906 1.00 0.19 H new ATOM 0 HB THR A 84 0.279 5.978 -0.354 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.505 6.539 1.757 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.484 7.669 -0.748 1.00 0.18 H new ATOM 0 HG22 THR A 84 -1.917 6.104 -1.476 1.00 0.18 H new ATOM 0 HG23 THR A 84 -2.674 6.615 0.051 1.00 0.18 H new ATOM 1389 N ILE A 85 0.372 3.296 -1.046 1.00 0.23 N ATOM 1390 CA ILE A 85 0.599 2.454 -2.255 1.00 0.27 C ATOM 1391 C ILE A 85 0.118 1.032 -1.972 1.00 0.29 C ATOM 1392 O ILE A 85 -0.654 0.466 -2.720 1.00 0.31 O ATOM 1393 CB ILE A 85 2.096 2.431 -2.589 1.00 0.29 C ATOM 1394 CG1 ILE A 85 2.629 3.879 -2.633 1.00 0.31 C ATOM 1395 CG2 ILE A 85 2.315 1.735 -3.944 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.926 3.956 -3.449 1.00 0.61 C ATOM 0 H ILE A 85 1.216 3.559 -0.537 1.00 0.23 H new ATOM 0 HA ILE A 85 0.047 2.867 -3.099 1.00 0.27 H new ATOM 0 HB ILE A 85 2.637 1.876 -1.823 1.00 0.29 H new ATOM 0 HG12 ILE A 85 1.878 4.535 -3.073 1.00 0.31 H new ATOM 0 HG13 ILE A 85 2.810 4.236 -1.619 1.00 0.31 H new ATOM 0 HG21 ILE A 85 3.380 1.721 -4.178 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.941 0.712 -3.892 1.00 0.32 H new ATOM 0 HG23 ILE A 85 1.780 2.278 -4.723 1.00 0.32 H new ATOM 0 HD11 ILE A 85 4.284 4.985 -3.467 1.00 0.61 H new ATOM 0 HD12 ILE A 85 4.682 3.317 -2.992 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.735 3.621 -4.468 1.00 0.61 H new ATOM 1408 N GLY A 86 0.566 0.453 -0.895 1.00 0.30 N ATOM 1409 CA GLY A 86 0.131 -0.930 -0.563 1.00 0.33 C ATOM 1410 C GLY A 86 -1.388 -0.951 -0.396 1.00 0.33 C ATOM 1411 O GLY A 86 -2.039 -1.939 -0.673 1.00 0.39 O ATOM 0 H GLY A 86 1.214 0.877 -0.231 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.432 -1.618 -1.353 1.00 0.33 H new ATOM 0 HA3 GLY A 86 0.615 -1.266 0.354 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.960 0.133 0.057 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.434 0.173 0.243 1.00 0.30 C ATOM 1417 C CYS A 87 -4.125 0.373 -1.110 1.00 0.35 C ATOM 1418 O CYS A 87 -5.136 -0.236 -1.398 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.795 1.331 1.176 1.00 0.29 C ATOM 1420 SG CYS A 87 -3.280 0.928 2.864 1.00 1.29 S ATOM 0 H CYS A 87 -1.467 0.991 0.305 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.768 -0.769 0.679 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.305 2.246 0.844 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.869 1.515 1.146 1.00 0.29 H new ATOM 0 HG CYS A 87 -2.017 1.199 3.009 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.596 1.236 -1.938 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.230 1.491 -3.264 1.00 0.40 C ATOM 1428 C TYR A 88 -4.382 0.182 -4.045 1.00 0.43 C ATOM 1429 O TYR A 88 -5.298 0.022 -4.827 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.357 2.458 -4.066 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.101 2.897 -5.304 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -4.917 4.034 -5.264 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -3.976 2.167 -6.492 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -5.608 4.441 -6.412 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -4.667 2.574 -7.640 1.00 1.28 C ATOM 1436 CZ TYR A 88 -5.483 3.711 -7.600 1.00 0.59 C ATOM 1437 OH TYR A 88 -6.164 4.112 -8.731 1.00 0.66 O ATOM 0 H TYR A 88 -2.751 1.776 -1.752 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.217 1.924 -3.104 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.100 3.324 -3.456 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.420 1.975 -4.344 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -5.014 4.597 -4.348 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -3.347 1.290 -6.523 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -6.237 5.318 -6.381 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -4.570 2.011 -8.556 1.00 1.28 H new ATOM 0 HH TYR A 88 -5.966 3.496 -9.467 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.494 -0.753 -3.847 1.00 0.43 N ATOM 1448 CA LYS A 89 -3.600 -2.041 -4.591 1.00 0.51 C ATOM 1449 C LYS A 89 -4.763 -2.863 -4.022 1.00 0.36 C ATOM 1450 O LYS A 89 -5.328 -3.705 -4.691 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.279 -2.819 -4.456 1.00 0.70 C ATOM 1452 CG LYS A 89 -2.098 -3.782 -5.647 1.00 1.00 C ATOM 1453 CD LYS A 89 -1.484 -3.044 -6.846 1.00 1.24 C ATOM 1454 CE LYS A 89 -1.168 -4.049 -7.954 1.00 1.56 C ATOM 1455 NZ LYS A 89 -0.044 -4.927 -7.522 1.00 2.05 N ATOM 0 H LYS A 89 -2.704 -0.682 -3.206 1.00 0.43 H new ATOM 0 HA LYS A 89 -3.789 -1.845 -5.647 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -1.442 -2.122 -4.413 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.274 -3.381 -3.522 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.456 -4.613 -5.356 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -3.061 -4.207 -5.928 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -2.176 -2.286 -7.214 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -0.575 -2.525 -6.541 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -2.049 -4.651 -8.176 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -0.902 -3.524 -8.871 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 0.791 -4.738 -8.113 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 0.185 -4.733 -6.526 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -0.323 -5.924 -7.625 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.131 -2.605 -2.794 1.00 0.32 N ATOM 1470 CA LEU A 90 -6.268 -3.341 -2.158 1.00 0.47 C ATOM 1471 C LEU A 90 -7.474 -2.408 -2.098 1.00 0.56 C ATOM 1472 O LEU A 90 -8.391 -2.611 -1.326 1.00 0.89 O ATOM 1473 CB LEU A 90 -5.888 -3.749 -0.730 1.00 0.55 C ATOM 1474 CG LEU A 90 -4.538 -4.473 -0.727 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -4.142 -4.794 0.718 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -4.642 -5.776 -1.531 1.00 0.56 C ATOM 0 H LEU A 90 -4.688 -1.907 -2.196 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.500 -4.233 -2.740 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.836 -2.866 -0.093 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -6.658 -4.398 -0.313 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.783 -3.832 -1.183 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -3.182 -5.310 0.726 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -4.062 -3.868 1.287 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -4.901 -5.433 1.170 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -3.678 -6.285 -1.525 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -5.397 -6.421 -1.082 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.925 -5.548 -2.559 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.468 -1.368 -2.891 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.581 -0.375 -2.882 1.00 0.91 C ATOM 1490 C GLY A 91 -9.117 -0.117 -1.478 1.00 0.69 C ATOM 1491 O GLY A 91 -10.244 0.306 -1.310 1.00 0.69 O ATOM 0 H GLY A 91 -6.723 -1.162 -3.557 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.231 0.563 -3.313 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.391 -0.735 -3.517 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.306 -0.264 -0.475 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.771 0.089 0.893 1.00 0.42 C ATOM 1497 C GLU A 92 -8.579 1.604 1.006 1.00 0.34 C ATOM 1498 O GLU A 92 -7.991 2.107 1.943 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.908 -0.629 1.935 1.00 0.44 C ATOM 1500 CG GLU A 92 -8.282 -2.113 1.980 1.00 0.55 C ATOM 1501 CD GLU A 92 -7.433 -2.822 3.038 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -6.226 -2.867 2.868 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -8.005 -3.308 4.000 1.00 2.18 O ATOM 0 H GLU A 92 -7.349 -0.610 -0.539 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.807 -0.204 1.064 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.853 -0.517 1.687 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -8.054 -0.177 2.916 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -9.341 -2.225 2.213 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -8.121 -2.569 1.003 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.004 2.321 -0.008 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.782 3.797 -0.043 1.00 0.31 C ATOM 1512 C TYR A 93 -9.175 4.462 1.276 1.00 0.25 C ATOM 1513 O TYR A 93 -8.777 5.578 1.534 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.575 4.450 -1.183 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.515 3.614 -2.443 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.380 3.658 -3.260 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -10.610 2.817 -2.809 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -8.337 2.904 -4.441 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -10.565 2.062 -3.987 1.00 1.35 C ATOM 1520 CZ TYR A 93 -9.430 2.108 -4.805 1.00 0.95 C ATOM 1521 OH TYR A 93 -9.385 1.362 -5.965 1.00 1.19 O ATOM 0 H TYR A 93 -9.498 1.942 -0.816 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.715 3.945 -0.209 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.614 4.579 -0.879 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.176 5.444 -1.384 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -7.537 4.273 -2.981 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -11.488 2.786 -2.181 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -7.460 2.937 -5.071 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -11.406 1.444 -4.265 1.00 1.35 H new ATOM 0 HH TYR A 93 -10.224 0.866 -6.068 1.00 1.19 H new ATOM 1531 N SER A 94 -9.918 3.824 2.133 1.00 0.24 N ATOM 1532 CA SER A 94 -10.267 4.494 3.417 1.00 0.28 C ATOM 1533 C SER A 94 -8.998 4.666 4.246 1.00 0.29 C ATOM 1534 O SER A 94 -8.788 5.680 4.883 1.00 0.39 O ATOM 1535 CB SER A 94 -11.274 3.631 4.181 1.00 0.30 C ATOM 1536 OG SER A 94 -11.420 4.134 5.502 1.00 1.12 O ATOM 0 H SER A 94 -10.294 2.884 2.006 1.00 0.24 H new ATOM 0 HA SER A 94 -10.710 5.471 3.221 1.00 0.28 H new ATOM 0 HB2 SER A 94 -12.236 3.637 3.669 1.00 0.30 H new ATOM 0 HB3 SER A 94 -10.934 2.596 4.210 1.00 0.30 H new ATOM 0 HG SER A 94 -12.066 3.583 5.992 1.00 1.12 H new ATOM 1542 N MET A 95 -8.147 3.683 4.231 1.00 0.27 N ATOM 1543 CA MET A 95 -6.879 3.775 5.000 1.00 0.36 C ATOM 1544 C MET A 95 -5.889 4.652 4.234 1.00 0.26 C ATOM 1545 O MET A 95 -5.211 5.487 4.799 1.00 0.26 O ATOM 1546 CB MET A 95 -6.292 2.370 5.175 1.00 0.48 C ATOM 1547 CG MET A 95 -7.414 1.370 5.451 1.00 0.81 C ATOM 1548 SD MET A 95 -8.330 1.867 6.930 1.00 1.25 S ATOM 1549 CE MET A 95 -6.970 1.704 8.109 1.00 0.83 C ATOM 0 H MET A 95 -8.276 2.813 3.715 1.00 0.27 H new ATOM 0 HA MET A 95 -7.071 4.213 5.979 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.747 2.080 4.277 1.00 0.48 H new ATOM 0 HB3 MET A 95 -5.577 2.365 5.998 1.00 0.48 H new ATOM 0 HG2 MET A 95 -8.087 1.320 4.595 1.00 0.81 H new ATOM 0 HG3 MET A 95 -6.998 0.372 5.588 1.00 0.81 H new ATOM 0 HE1 MET A 95 -7.372 1.526 9.106 1.00 0.83 H new ATOM 0 HE2 MET A 95 -6.335 0.867 7.819 1.00 0.83 H new ATOM 0 HE3 MET A 95 -6.381 2.621 8.114 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.802 4.463 2.946 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.858 5.276 2.134 1.00 0.20 C ATOM 1561 C ALA A 96 -5.200 6.762 2.291 1.00 0.18 C ATOM 1562 O ALA A 96 -4.333 7.585 2.504 1.00 0.19 O ATOM 1563 CB ALA A 96 -4.973 4.863 0.662 1.00 0.23 C ATOM 0 H ALA A 96 -6.346 3.778 2.421 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.836 5.108 2.475 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.283 5.456 0.063 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.726 3.806 0.560 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -5.992 5.032 0.315 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.455 7.109 2.183 1.00 0.19 N ATOM 1570 CA LYS A 97 -6.855 8.542 2.320 1.00 0.21 C ATOM 1571 C LYS A 97 -6.387 9.088 3.670 1.00 0.21 C ATOM 1572 O LYS A 97 -5.839 10.170 3.752 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.388 8.655 2.212 1.00 0.29 C ATOM 1574 CG LYS A 97 -8.793 10.027 1.651 1.00 0.44 C ATOM 1575 CD LYS A 97 -8.290 11.149 2.572 1.00 0.78 C ATOM 1576 CE LYS A 97 -9.118 12.417 2.342 1.00 1.07 C ATOM 1577 NZ LYS A 97 -8.550 13.535 3.147 1.00 2.10 N ATOM 0 H LYS A 97 -7.223 6.461 2.005 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.390 9.125 1.525 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -8.771 7.865 1.566 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -8.838 8.511 3.194 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.379 10.155 0.651 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -9.877 10.083 1.557 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -8.365 10.838 3.614 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -7.237 11.350 2.374 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -9.115 12.679 1.284 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.156 12.242 2.624 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -9.112 14.396 2.991 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -8.575 13.284 4.156 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -7.566 13.707 2.857 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.603 8.375 4.740 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.175 8.896 6.070 1.00 0.25 C ATOM 1593 C ARG A 98 -4.647 8.995 6.157 1.00 0.20 C ATOM 1594 O ARG A 98 -4.117 9.936 6.714 1.00 0.21 O ATOM 1595 CB ARG A 98 -6.685 7.950 7.166 1.00 0.33 C ATOM 1596 CG ARG A 98 -8.199 8.117 7.328 1.00 1.18 C ATOM 1597 CD ARG A 98 -8.699 7.213 8.458 1.00 1.28 C ATOM 1598 NE ARG A 98 -10.085 7.611 8.837 1.00 1.90 N ATOM 1599 CZ ARG A 98 -10.823 6.810 9.557 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -10.348 5.658 9.946 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -12.035 7.162 9.889 1.00 3.20 N ATOM 0 H ARG A 98 -7.054 7.460 4.753 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.593 9.894 6.204 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -6.449 6.918 6.908 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -6.183 8.166 8.109 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -8.438 9.157 7.548 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -8.704 7.864 6.396 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -8.683 6.171 8.139 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -8.038 7.292 9.321 1.00 1.28 H new ATOM 0 HE ARG A 98 -10.457 8.511 8.533 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -9.400 5.384 9.687 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -10.925 5.032 10.509 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -12.406 8.063 9.586 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -12.612 6.536 10.451 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.925 8.036 5.636 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.436 8.113 5.734 1.00 0.22 C ATOM 1617 C TYR A 99 -1.904 9.244 4.847 1.00 0.19 C ATOM 1618 O TYR A 99 -1.161 10.094 5.296 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.802 6.789 5.277 1.00 0.27 C ATOM 1620 CG TYR A 99 -2.262 5.611 6.130 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -2.275 5.693 7.536 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.644 4.411 5.506 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -2.674 4.591 8.299 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -3.036 3.311 6.276 1.00 1.34 C ATOM 1625 CZ TYR A 99 -3.053 3.401 7.671 1.00 0.40 C ATOM 1626 OH TYR A 99 -3.439 2.314 8.428 1.00 0.47 O ATOM 0 H TYR A 99 -4.294 7.216 5.155 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.174 8.306 6.774 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.060 6.604 4.234 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.716 6.871 5.327 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -1.976 6.608 8.026 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -2.635 4.338 4.429 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -2.689 4.660 9.377 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -3.326 2.390 5.792 1.00 1.34 H new ATOM 0 HH TYR A 99 -3.672 1.569 7.836 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.260 9.258 3.593 1.00 0.18 N ATOM 1637 CA VAL A 100 -1.750 10.333 2.694 1.00 0.19 C ATOM 1638 C VAL A 100 -2.210 11.696 3.221 1.00 0.21 C ATOM 1639 O VAL A 100 -1.517 12.686 3.098 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.271 10.115 1.270 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -3.777 10.375 1.220 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -1.557 11.074 0.314 1.00 0.20 C ATOM 0 H VAL A 100 -2.878 8.577 3.153 1.00 0.18 H new ATOM 0 HA VAL A 100 -0.661 10.304 2.675 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.075 9.085 0.971 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.140 10.218 0.204 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.287 9.690 1.897 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -3.979 11.402 1.523 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -1.927 10.920 -0.700 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -1.751 12.103 0.618 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -0.484 10.883 0.342 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.373 11.751 3.811 1.00 0.23 N ATOM 1653 CA ASP A 101 -3.875 13.047 4.349 1.00 0.27 C ATOM 1654 C ASP A 101 -2.963 13.510 5.488 1.00 0.26 C ATOM 1655 O ASP A 101 -2.450 14.611 5.477 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.299 12.860 4.880 1.00 0.30 C ATOM 1657 CG ASP A 101 -5.795 14.171 5.492 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -5.557 14.380 6.670 1.00 1.79 O ATOM 1659 OD2 ASP A 101 -6.406 14.944 4.772 1.00 1.60 O ATOM 0 H ASP A 101 -3.997 10.955 3.944 1.00 0.23 H new ATOM 0 HA ASP A 101 -3.878 13.795 3.557 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -5.962 12.551 4.072 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.318 12.068 5.628 1.00 0.30 H new ATOM 1664 N THR A 102 -2.759 12.676 6.470 1.00 0.25 N ATOM 1665 CA THR A 102 -1.883 13.060 7.613 1.00 0.26 C ATOM 1666 C THR A 102 -0.528 13.542 7.086 1.00 0.26 C ATOM 1667 O THR A 102 -0.046 14.594 7.456 1.00 0.27 O ATOM 1668 CB THR A 102 -1.675 11.841 8.517 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.920 11.455 9.081 1.00 0.32 O ATOM 1670 CG2 THR A 102 -0.692 12.185 9.639 1.00 0.29 C ATOM 0 H THR A 102 -3.163 11.741 6.530 1.00 0.25 H new ATOM 0 HA THR A 102 -2.354 13.864 8.180 1.00 0.26 H new ATOM 0 HB THR A 102 -1.269 11.020 7.925 1.00 0.27 H new ATOM 0 HG1 THR A 102 -3.428 10.932 8.426 1.00 0.32 H new ATOM 0 HG21 THR A 102 -0.549 11.313 10.278 1.00 0.29 H new ATOM 0 HG22 THR A 102 0.265 12.479 9.207 1.00 0.29 H new ATOM 0 HG23 THR A 102 -1.091 13.008 10.232 1.00 0.29 H new ATOM 1678 N LEU A 103 0.094 12.776 6.233 1.00 0.25 N ATOM 1679 CA LEU A 103 1.423 13.184 5.694 1.00 0.27 C ATOM 1680 C LEU A 103 1.287 14.479 4.888 1.00 0.29 C ATOM 1681 O LEU A 103 2.115 15.364 4.978 1.00 0.31 O ATOM 1682 CB LEU A 103 1.968 12.075 4.784 1.00 0.29 C ATOM 1683 CG LEU A 103 3.460 12.327 4.475 1.00 0.34 C ATOM 1684 CD1 LEU A 103 4.340 11.726 5.578 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.829 11.676 3.137 1.00 0.41 C ATOM 0 H LEU A 103 -0.260 11.885 5.885 1.00 0.25 H new ATOM 0 HA LEU A 103 2.109 13.349 6.525 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.847 11.105 5.267 1.00 0.29 H new ATOM 0 HB3 LEU A 103 1.397 12.042 3.856 1.00 0.29 H new ATOM 0 HG LEU A 103 3.627 13.403 4.424 1.00 0.34 H new ATOM 0 HD11 LEU A 103 5.389 11.911 5.348 1.00 0.36 H new ATOM 0 HD12 LEU A 103 4.092 12.188 6.534 1.00 0.36 H new ATOM 0 HD13 LEU A 103 4.165 10.652 5.638 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.882 11.856 2.923 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.649 10.602 3.193 1.00 0.41 H new ATOM 0 HD23 LEU A 103 3.219 12.106 2.343 1.00 0.41 H new ATOM 1697 N PHE A 104 0.260 14.597 4.091 1.00 0.29 N ATOM 1698 CA PHE A 104 0.094 15.834 3.276 1.00 0.32 C ATOM 1699 C PHE A 104 -0.021 17.051 4.196 1.00 0.37 C ATOM 1700 O PHE A 104 0.374 18.145 3.843 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.167 15.724 2.416 1.00 0.33 C ATOM 1702 CG PHE A 104 -1.353 17.005 1.632 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -0.474 17.315 0.587 1.00 1.17 C ATOM 1704 CD2 PHE A 104 -2.397 17.885 1.951 1.00 1.23 C ATOM 1705 CE1 PHE A 104 -0.638 18.501 -0.138 1.00 1.19 C ATOM 1706 CE2 PHE A 104 -2.561 19.071 1.224 1.00 1.29 C ATOM 1707 CZ PHE A 104 -1.681 19.379 0.180 1.00 0.60 C ATOM 0 H PHE A 104 -0.468 13.894 3.969 1.00 0.29 H new ATOM 0 HA PHE A 104 0.963 15.951 2.629 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.084 14.877 1.735 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.037 15.541 3.047 1.00 0.33 H new ATOM 0 HD1 PHE A 104 0.331 16.639 0.340 1.00 1.17 H new ATOM 0 HD2 PHE A 104 -3.075 17.648 2.758 1.00 1.23 H new ATOM 0 HE1 PHE A 104 0.041 18.739 -0.944 1.00 1.19 H new ATOM 0 HE2 PHE A 104 -3.366 19.748 1.469 1.00 1.29 H new ATOM 0 HZ PHE A 104 -1.807 20.294 -0.380 1.00 0.60 H new ATOM 1717 N GLU A 105 -0.560 16.877 5.371 1.00 0.42 N ATOM 1718 CA GLU A 105 -0.696 18.034 6.299 1.00 0.52 C ATOM 1719 C GLU A 105 0.695 18.584 6.624 1.00 0.56 C ATOM 1720 O GLU A 105 0.892 19.780 6.702 1.00 0.61 O ATOM 1721 CB GLU A 105 -1.389 17.573 7.589 1.00 0.58 C ATOM 1722 CG GLU A 105 -1.852 18.786 8.405 1.00 1.20 C ATOM 1723 CD GLU A 105 -0.637 19.509 8.992 1.00 1.75 C ATOM 1724 OE1 GLU A 105 0.120 18.871 9.705 1.00 2.31 O ATOM 1725 OE2 GLU A 105 -0.486 20.688 8.718 1.00 2.47 O ATOM 0 H GLU A 105 -0.911 15.988 5.727 1.00 0.42 H new ATOM 0 HA GLU A 105 -1.294 18.816 5.831 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.244 16.942 7.346 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -0.704 16.967 8.182 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -2.421 19.467 7.771 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -2.518 18.465 9.206 1.00 1.20 H new ATOM 1838 N GLN A 112 4.315 15.112 -5.400 1.00 0.54 N ATOM 1839 CA GLN A 112 4.013 13.660 -5.558 1.00 0.49 C ATOM 1840 C GLN A 112 2.941 13.264 -4.544 1.00 0.39 C ATOM 1841 O GLN A 112 2.166 12.354 -4.759 1.00 0.37 O ATOM 1842 CB GLN A 112 5.280 12.841 -5.297 1.00 0.54 C ATOM 1843 CG GLN A 112 6.356 13.219 -6.316 1.00 1.05 C ATOM 1844 CD GLN A 112 7.673 12.535 -5.943 1.00 1.82 C ATOM 1845 OE1 GLN A 112 7.674 11.452 -5.392 1.00 2.54 O ATOM 1846 NE2 GLN A 112 8.803 13.126 -6.221 1.00 2.56 N ATOM 0 HA GLN A 112 3.659 13.467 -6.571 1.00 0.49 H new ATOM 0 HB2 GLN A 112 5.642 13.026 -4.286 1.00 0.54 H new ATOM 0 HB3 GLN A 112 5.057 11.776 -5.367 1.00 0.54 H new ATOM 0 HG2 GLN A 112 6.047 12.916 -7.317 1.00 1.05 H new ATOM 0 HG3 GLN A 112 6.489 14.301 -6.337 1.00 1.05 H new ATOM 0 HE21 GLN A 112 8.803 14.035 -6.684 1.00 2.56 H new ATOM 0 HE22 GLN A 112 9.686 12.679 -5.976 1.00 2.56 H new ATOM 1855 N VAL A 113 2.894 13.956 -3.442 1.00 0.37 N ATOM 1856 CA VAL A 113 1.876 13.648 -2.400 1.00 0.32 C ATOM 1857 C VAL A 113 0.530 14.216 -2.841 1.00 0.32 C ATOM 1858 O VAL A 113 -0.479 13.540 -2.822 1.00 0.30 O ATOM 1859 CB VAL A 113 2.293 14.283 -1.072 1.00 0.35 C ATOM 1860 CG1 VAL A 113 1.304 13.875 0.021 1.00 0.41 C ATOM 1861 CG2 VAL A 113 3.695 13.798 -0.696 1.00 0.40 C ATOM 0 H VAL A 113 3.522 14.728 -3.216 1.00 0.37 H new ATOM 0 HA VAL A 113 1.795 12.569 -2.269 1.00 0.32 H new ATOM 0 HB VAL A 113 2.296 15.368 -1.172 1.00 0.35 H new ATOM 0 HG11 VAL A 113 1.601 14.327 0.967 1.00 0.41 H new ATOM 0 HG12 VAL A 113 0.304 14.217 -0.247 1.00 0.41 H new ATOM 0 HG13 VAL A 113 1.301 12.790 0.123 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.995 14.249 0.250 1.00 0.40 H new ATOM 0 HG22 VAL A 113 3.690 12.713 -0.595 1.00 0.40 H new ATOM 0 HG23 VAL A 113 4.401 14.086 -1.475 1.00 0.40 H new ATOM 1871 N GLY A 114 0.512 15.456 -3.247 1.00 0.37 N ATOM 1872 CA GLY A 114 -0.767 16.068 -3.701 1.00 0.40 C ATOM 1873 C GLY A 114 -1.309 15.256 -4.876 1.00 0.38 C ATOM 1874 O GLY A 114 -2.499 15.051 -5.010 1.00 0.38 O ATOM 0 H GLY A 114 1.326 16.070 -3.284 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -1.490 16.081 -2.885 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -0.605 17.104 -4.000 1.00 0.40 H new ATOM 1878 N ALA A 115 -0.435 14.785 -5.722 1.00 0.38 N ATOM 1879 CA ALA A 115 -0.880 13.975 -6.889 1.00 0.38 C ATOM 1880 C ALA A 115 -1.239 12.563 -6.413 1.00 0.33 C ATOM 1881 O ALA A 115 -2.257 12.009 -6.793 1.00 0.34 O ATOM 1882 CB ALA A 115 0.248 13.912 -7.921 1.00 0.43 C ATOM 0 H ALA A 115 0.573 14.927 -5.654 1.00 0.38 H new ATOM 0 HA ALA A 115 -1.756 14.432 -7.348 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -0.075 13.319 -8.777 1.00 0.43 H new ATOM 0 HB2 ALA A 115 0.496 14.921 -8.251 1.00 0.43 H new ATOM 0 HB3 ALA A 115 1.127 13.451 -7.471 1.00 0.43 H new ATOM 1888 N LEU A 116 -0.436 11.978 -5.573 1.00 0.31 N ATOM 1889 CA LEU A 116 -0.767 10.615 -5.077 1.00 0.29 C ATOM 1890 C LEU A 116 -2.155 10.668 -4.436 1.00 0.26 C ATOM 1891 O LEU A 116 -3.007 9.841 -4.698 1.00 0.25 O ATOM 1892 CB LEU A 116 0.284 10.186 -4.046 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.158 8.908 -3.319 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -0.537 7.823 -4.335 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.994 8.403 -2.441 1.00 0.68 C ATOM 0 H LEU A 116 0.429 12.380 -5.210 1.00 0.31 H new ATOM 0 HA LEU A 116 -0.768 9.892 -5.893 1.00 0.29 H new ATOM 0 HB2 LEU A 116 1.239 10.016 -4.543 1.00 0.32 H new ATOM 0 HB3 LEU A 116 0.439 10.987 -3.323 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.027 9.132 -2.701 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -0.848 6.922 -3.806 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.357 8.179 -4.959 1.00 0.49 H new ATOM 0 HD13 LEU A 116 0.325 7.596 -4.963 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.685 7.495 -1.922 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.860 8.187 -3.066 1.00 0.68 H new ATOM 0 HD23 LEU A 116 1.256 9.167 -1.710 1.00 0.68 H new ATOM 1907 N LYS A 117 -2.394 11.646 -3.608 1.00 0.27 N ATOM 1908 CA LYS A 117 -3.729 11.762 -2.962 1.00 0.28 C ATOM 1909 C LYS A 117 -4.796 11.896 -4.053 1.00 0.28 C ATOM 1910 O LYS A 117 -5.909 11.430 -3.907 1.00 0.29 O ATOM 1911 CB LYS A 117 -3.748 13.004 -2.059 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.083 13.099 -1.309 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.218 14.485 -0.666 1.00 0.86 C ATOM 1914 CE LYS A 117 -4.025 14.763 0.261 1.00 1.44 C ATOM 1915 NZ LYS A 117 -2.909 15.356 -0.530 1.00 2.16 N ATOM 0 H LYS A 117 -1.722 12.369 -3.351 1.00 0.27 H new ATOM 0 HA LYS A 117 -3.933 10.878 -2.358 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -2.925 12.955 -1.346 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.596 13.901 -2.660 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -5.911 12.924 -1.997 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.137 12.325 -0.543 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -5.270 15.249 -1.441 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -6.148 14.541 -0.100 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -4.322 15.444 1.059 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -3.697 13.839 0.736 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -2.465 16.121 0.016 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -2.202 14.622 -0.736 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -3.281 15.739 -1.422 1.00 2.16 H new ATOM 1929 N SER A 118 -4.471 12.545 -5.140 1.00 0.29 N ATOM 1930 CA SER A 118 -5.470 12.727 -6.231 1.00 0.31 C ATOM 1931 C SER A 118 -6.015 11.374 -6.689 1.00 0.29 C ATOM 1932 O SER A 118 -7.170 11.257 -7.030 1.00 0.30 O ATOM 1933 CB SER A 118 -4.817 13.438 -7.415 1.00 0.34 C ATOM 1934 OG SER A 118 -4.057 14.537 -6.934 1.00 1.35 O ATOM 0 H SER A 118 -3.555 12.957 -5.319 1.00 0.29 H new ATOM 0 HA SER A 118 -6.295 13.330 -5.850 1.00 0.31 H new ATOM 0 HB2 SER A 118 -4.175 12.747 -7.961 1.00 0.34 H new ATOM 0 HB3 SER A 118 -5.579 13.784 -8.113 1.00 0.34 H new ATOM 0 HG SER A 118 -3.847 14.400 -5.987 1.00 1.35 H new ATOM 1940 N MET A 119 -5.220 10.340 -6.680 1.00 0.26 N ATOM 1941 CA MET A 119 -5.753 9.009 -7.103 1.00 0.25 C ATOM 1942 C MET A 119 -6.629 8.454 -5.977 1.00 0.23 C ATOM 1943 O MET A 119 -7.687 7.901 -6.198 1.00 0.24 O ATOM 1944 CB MET A 119 -4.584 8.060 -7.379 1.00 0.26 C ATOM 1945 CG MET A 119 -3.585 8.749 -8.315 1.00 0.61 C ATOM 1946 SD MET A 119 -2.472 7.514 -9.031 1.00 1.03 S ATOM 1947 CE MET A 119 -1.049 8.605 -9.278 1.00 0.69 C ATOM 0 H MET A 119 -4.238 10.354 -6.403 1.00 0.26 H new ATOM 0 HA MET A 119 -6.347 9.109 -8.012 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.095 7.785 -6.445 1.00 0.26 H new ATOM 0 HB3 MET A 119 -4.948 7.138 -7.832 1.00 0.26 H new ATOM 0 HG2 MET A 119 -4.117 9.276 -9.107 1.00 0.61 H new ATOM 0 HG3 MET A 119 -3.011 9.495 -7.765 1.00 0.61 H new ATOM 0 HE1 MET A 119 -0.229 8.039 -9.720 1.00 0.69 H new ATOM 0 HE2 MET A 119 -1.327 9.421 -9.945 1.00 0.69 H new ATOM 0 HE3 MET A 119 -0.733 9.013 -8.318 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.193 8.623 -4.768 1.00 0.21 N ATOM 1958 CA VAL A 120 -6.967 8.159 -3.586 1.00 0.20 C ATOM 1959 C VAL A 120 -8.216 9.017 -3.401 1.00 0.22 C ATOM 1960 O VAL A 120 -9.302 8.511 -3.198 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.092 8.333 -2.345 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -6.845 7.804 -1.120 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -4.791 7.547 -2.524 1.00 0.23 C ATOM 0 H VAL A 120 -5.308 9.076 -4.540 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.256 7.118 -3.732 1.00 0.20 H new ATOM 0 HB VAL A 120 -5.860 9.389 -2.205 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.225 7.926 -0.232 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -7.773 8.362 -0.994 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.073 6.748 -1.261 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.166 7.671 -1.639 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.020 6.490 -2.661 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.258 7.919 -3.399 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.071 10.307 -3.434 1.00 0.25 N ATOM 1974 CA GLU A 121 -9.247 11.193 -3.221 1.00 0.29 C ATOM 1975 C GLU A 121 -10.165 11.183 -4.446 1.00 0.28 C ATOM 1976 O GLU A 121 -11.370 11.251 -4.314 1.00 0.31 O ATOM 1977 CB GLU A 121 -8.744 12.616 -2.944 1.00 0.35 C ATOM 1978 CG GLU A 121 -9.913 13.602 -2.892 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.942 13.133 -1.861 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -10.530 12.705 -0.795 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -12.123 13.214 -2.154 1.00 2.27 O ATOM 0 H GLU A 121 -7.188 10.790 -3.599 1.00 0.25 H new ATOM 0 HA GLU A 121 -9.825 10.831 -2.371 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -8.201 12.638 -1.999 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -8.042 12.917 -3.722 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -9.551 14.596 -2.631 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -10.379 13.680 -3.874 1.00 1.07 H new ATOM 1988 N ASP A 122 -9.632 11.092 -5.633 1.00 0.28 N ATOM 1989 CA ASP A 122 -10.533 11.076 -6.820 1.00 0.30 C ATOM 1990 C ASP A 122 -11.212 9.708 -6.913 1.00 0.28 C ATOM 1991 O ASP A 122 -12.313 9.592 -7.400 1.00 0.31 O ATOM 1992 CB ASP A 122 -9.753 11.382 -8.113 1.00 0.34 C ATOM 1993 CG ASP A 122 -8.971 10.152 -8.583 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -8.673 9.314 -7.756 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -8.687 10.073 -9.767 1.00 1.89 O ATOM 0 H ASP A 122 -8.633 11.029 -5.831 1.00 0.28 H new ATOM 0 HA ASP A 122 -11.289 11.852 -6.703 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.445 11.698 -8.894 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -9.066 12.211 -7.941 1.00 0.34 H new ATOM 2000 N LYS A 123 -10.572 8.668 -6.447 1.00 0.27 N ATOM 2001 CA LYS A 123 -11.202 7.321 -6.525 1.00 0.27 C ATOM 2002 C LYS A 123 -12.287 7.176 -5.456 1.00 0.26 C ATOM 2003 O LYS A 123 -13.277 6.504 -5.666 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.139 6.235 -6.317 1.00 0.27 C ATOM 2005 CG LYS A 123 -10.772 4.828 -6.518 1.00 0.93 C ATOM 2006 CD LYS A 123 -9.966 4.006 -7.537 1.00 1.10 C ATOM 2007 CE LYS A 123 -10.273 4.486 -8.959 1.00 1.43 C ATOM 2008 NZ LYS A 123 -9.272 3.908 -9.901 1.00 1.95 N ATOM 0 H LYS A 123 -9.647 8.694 -6.019 1.00 0.27 H new ATOM 0 HA LYS A 123 -11.654 7.208 -7.510 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -9.318 6.378 -7.020 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -9.717 6.314 -5.315 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.807 4.301 -5.565 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -11.801 4.933 -6.862 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -8.900 4.104 -7.334 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -10.213 2.949 -7.440 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -11.279 4.183 -9.248 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -10.244 5.575 -9.002 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -9.301 4.429 -10.801 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -8.321 3.984 -9.487 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -9.495 2.907 -10.073 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.133 7.805 -4.316 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.195 7.684 -3.276 1.00 0.29 C ATOM 2024 C ILE A 124 -14.401 8.517 -3.731 1.00 0.35 C ATOM 2025 O ILE A 124 -15.533 8.250 -3.381 1.00 0.43 O ATOM 2026 CB ILE A 124 -12.662 8.168 -1.918 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -11.674 7.127 -1.373 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -13.823 8.324 -0.932 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -10.943 7.671 -0.138 1.00 0.30 C ATOM 0 H ILE A 124 -11.333 8.386 -4.066 1.00 0.27 H new ATOM 0 HA ILE A 124 -13.498 6.644 -3.154 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.164 9.130 -2.043 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.207 6.213 -1.113 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -10.950 6.866 -2.145 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.440 8.667 0.029 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.535 9.052 -1.320 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.322 7.363 -0.802 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.247 6.919 0.234 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.393 8.572 -0.409 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.669 7.909 0.639 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.150 9.513 -4.536 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.244 10.378 -5.069 1.00 0.40 C ATOM 2043 C GLN A 125 -15.833 9.767 -6.343 1.00 0.43 C ATOM 2044 O GLN A 125 -17.032 9.748 -6.539 1.00 0.54 O ATOM 2045 CB GLN A 125 -14.665 11.747 -5.431 1.00 0.53 C ATOM 2046 CG GLN A 125 -14.187 12.450 -4.164 1.00 1.22 C ATOM 2047 CD GLN A 125 -15.392 12.831 -3.299 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -15.650 12.207 -2.289 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -16.145 13.836 -3.654 1.00 2.64 N ATOM 0 H GLN A 125 -13.215 9.769 -4.853 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.020 10.467 -4.309 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -13.836 11.630 -6.129 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -15.421 12.352 -5.932 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -13.518 11.797 -3.605 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -13.617 13.342 -4.424 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -15.929 14.360 -4.502 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -16.949 14.097 -3.084 1.00 2.64 H new