USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot 9:sc= 0.707 USER MOD Set 1.2: A 41 SER OG : rot -100:sc= 1.34 USER MOD Single : A 9 THR OG1 : rot -85:sc= 1.53 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0427 (180deg=-0.437) 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 K(o=0,f=-1.1!) USER MOD Single : A 21 GLN : amide:sc= -0.0714 X(o=-0.071,f=-0.071) USER MOD Single : A 27 GLN : amide:sc= -2.48 K(o=-2.5,f=-0.16) USER MOD Single : A 28 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.54) USER MOD Single : A 31 SER OG : rot -63:sc= 0.616 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.64! K(o=-1.6!,f=-0.73) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -2.01! (180deg=-3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00132 USER MOD Single : A 56 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.191 (180deg=-0.867) USER MOD Single : A 66 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 92:sc= 0.364 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 77:sc= 1.15 USER MOD Single : A 87 CYS SG : rot 84:sc= -0.543! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.416 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 82:sc= 0.516 USER MOD Single : A 112 GLN : amide:sc= -0.792 K(o=-0.79,f=-0.097) USER MOD Single : A 117 LYS NZ :NH3+ -116:sc= -2.61! (180deg=-3.92!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -160:sc= -0.0545 (180deg=-0.587) USER MOD Single : A 125 GLN : amide:sc= -0.779 K(o=-0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.380 6.374 -5.640 1.00 0.67 N ATOM 129 CA PRO A 8 8.835 5.846 -6.906 1.00 0.58 C ATOM 130 C PRO A 8 7.390 6.329 -7.102 1.00 0.52 C ATOM 131 O PRO A 8 6.870 7.100 -6.321 1.00 0.58 O ATOM 132 CB PRO A 8 8.895 4.306 -6.759 1.00 0.62 C ATOM 133 CG PRO A 8 9.468 3.992 -5.347 1.00 0.71 C ATOM 134 CD PRO A 8 9.821 5.337 -4.678 1.00 0.75 C ATOM 0 HA PRO A 8 9.397 6.186 -7.776 1.00 0.58 H new ATOM 0 HB2 PRO A 8 7.902 3.871 -6.875 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.526 3.871 -7.534 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.737 3.447 -4.749 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.352 3.359 -5.424 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.313 5.446 -3.720 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.891 5.411 -4.481 1.00 0.75 H new ATOM 142 N THR A 9 6.735 5.844 -8.131 1.00 0.48 N ATOM 143 CA THR A 9 5.312 6.231 -8.388 1.00 0.46 C ATOM 144 C THR A 9 4.423 5.016 -8.136 1.00 0.43 C ATOM 145 O THR A 9 4.897 3.937 -7.840 1.00 0.44 O ATOM 146 CB THR A 9 5.138 6.684 -9.845 1.00 0.47 C ATOM 147 OG1 THR A 9 4.877 5.553 -10.665 1.00 0.72 O ATOM 148 CG2 THR A 9 6.408 7.378 -10.331 1.00 0.73 C ATOM 0 H THR A 9 7.129 5.192 -8.809 1.00 0.48 H new ATOM 0 HA THR A 9 5.036 7.052 -7.726 1.00 0.46 H new ATOM 0 HB THR A 9 4.303 7.382 -9.904 1.00 0.47 H new ATOM 0 HG1 THR A 9 5.725 5.143 -10.936 1.00 0.72 H new ATOM 0 HG21 THR A 9 6.276 7.696 -11.365 1.00 0.73 H new ATOM 0 HG22 THR A 9 6.609 8.249 -9.707 1.00 0.73 H new ATOM 0 HG23 THR A 9 7.248 6.686 -10.269 1.00 0.73 H new ATOM 156 N LEU A 10 3.140 5.174 -8.283 1.00 0.41 N ATOM 157 CA LEU A 10 2.236 4.014 -8.082 1.00 0.40 C ATOM 158 C LEU A 10 2.398 3.073 -9.269 1.00 0.39 C ATOM 159 O LEU A 10 2.159 1.886 -9.173 1.00 0.39 O ATOM 160 CB LEU A 10 0.780 4.478 -7.983 1.00 0.41 C ATOM 161 CG LEU A 10 -0.174 3.269 -8.015 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.192 2.269 -6.912 1.00 0.41 C ATOM 163 CD2 LEU A 10 -1.597 3.759 -7.779 1.00 0.41 C ATOM 0 H LEU A 10 2.681 6.050 -8.532 1.00 0.41 H new ATOM 0 HA LEU A 10 2.493 3.504 -7.154 1.00 0.40 H new ATOM 0 HB2 LEU A 10 0.633 5.040 -7.061 1.00 0.41 H new ATOM 0 HB3 LEU A 10 0.550 5.152 -8.808 1.00 0.41 H new ATOM 0 HG LEU A 10 -0.092 2.777 -8.984 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.492 1.421 -6.948 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.213 1.919 -7.063 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.115 2.756 -5.940 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -2.282 2.911 -7.800 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -1.656 4.250 -6.808 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -1.872 4.467 -8.561 1.00 0.41 H new ATOM 175 N LYS A 11 2.808 3.571 -10.399 1.00 0.42 N ATOM 176 CA LYS A 11 2.975 2.676 -11.571 1.00 0.44 C ATOM 177 C LYS A 11 4.120 1.705 -11.288 1.00 0.43 C ATOM 178 O LYS A 11 4.140 0.595 -11.780 1.00 0.45 O ATOM 179 CB LYS A 11 3.297 3.544 -12.819 1.00 0.49 C ATOM 180 CG LYS A 11 2.217 3.379 -13.900 1.00 0.83 C ATOM 181 CD LYS A 11 0.941 4.113 -13.477 1.00 0.98 C ATOM 182 CE LYS A 11 -0.136 3.907 -14.543 1.00 1.64 C ATOM 183 NZ LYS A 11 0.292 4.561 -15.812 1.00 2.31 N ATOM 0 H LYS A 11 3.033 4.553 -10.561 1.00 0.42 H new ATOM 0 HA LYS A 11 2.063 2.108 -11.757 1.00 0.44 H new ATOM 0 HB2 LYS A 11 3.368 4.592 -12.528 1.00 0.49 H new ATOM 0 HB3 LYS A 11 4.268 3.259 -13.224 1.00 0.49 H new ATOM 0 HG2 LYS A 11 2.577 3.775 -14.850 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.004 2.321 -14.056 1.00 0.83 H new ATOM 0 HD2 LYS A 11 0.593 3.737 -12.515 1.00 0.98 H new ATOM 0 HD3 LYS A 11 1.144 5.176 -13.349 1.00 0.98 H new ATOM 0 HE2 LYS A 11 -0.301 2.842 -14.708 1.00 1.64 H new ATOM 0 HE3 LYS A 11 -1.083 4.328 -14.205 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 -0.536 4.708 -16.423 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 0.732 5.479 -15.598 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 0.979 3.953 -16.301 1.00 2.31 H new ATOM 197 N ASP A 12 5.085 2.123 -10.518 1.00 0.43 N ATOM 198 CA ASP A 12 6.229 1.220 -10.238 1.00 0.45 C ATOM 199 C ASP A 12 5.720 -0.018 -9.499 1.00 0.44 C ATOM 200 O ASP A 12 6.339 -1.062 -9.511 1.00 0.46 O ATOM 201 CB ASP A 12 7.256 1.954 -9.373 1.00 0.48 C ATOM 202 CG ASP A 12 7.783 3.173 -10.134 1.00 1.16 C ATOM 203 OD1 ASP A 12 6.970 3.951 -10.603 1.00 1.88 O ATOM 204 OD2 ASP A 12 8.992 3.306 -10.235 1.00 1.94 O ATOM 0 H ASP A 12 5.130 3.041 -10.076 1.00 0.43 H new ATOM 0 HA ASP A 12 6.700 0.917 -11.173 1.00 0.45 H new ATOM 0 HB2 ASP A 12 6.800 2.267 -8.434 1.00 0.48 H new ATOM 0 HB3 ASP A 12 8.079 1.286 -9.120 1.00 0.48 H new ATOM 209 N ALA A 13 4.591 0.103 -8.838 1.00 0.43 N ATOM 210 CA ALA A 13 4.039 -1.054 -8.078 1.00 0.45 C ATOM 211 C ALA A 13 3.729 -2.203 -9.038 1.00 0.49 C ATOM 212 O ALA A 13 3.596 -3.341 -8.635 1.00 0.57 O ATOM 213 CB ALA A 13 2.755 -0.625 -7.364 1.00 0.44 C ATOM 0 H ALA A 13 4.032 0.955 -8.795 1.00 0.43 H new ATOM 0 HA ALA A 13 4.773 -1.388 -7.344 1.00 0.45 H new ATOM 0 HB1 ALA A 13 2.349 -1.469 -6.807 1.00 0.44 H new ATOM 0 HB2 ALA A 13 2.977 0.191 -6.676 1.00 0.44 H new ATOM 0 HB3 ALA A 13 2.024 -0.290 -8.100 1.00 0.44 H new ATOM 219 N TYR A 14 3.611 -1.915 -10.304 1.00 0.54 N ATOM 220 CA TYR A 14 3.306 -2.991 -11.289 1.00 0.60 C ATOM 221 C TYR A 14 4.586 -3.761 -11.618 1.00 0.67 C ATOM 222 O TYR A 14 4.647 -4.961 -11.448 1.00 1.15 O ATOM 223 CB TYR A 14 2.746 -2.363 -12.569 1.00 0.61 C ATOM 224 CG TYR A 14 1.316 -1.929 -12.336 1.00 0.58 C ATOM 225 CD1 TYR A 14 1.044 -0.858 -11.476 1.00 1.37 C ATOM 226 CD2 TYR A 14 0.262 -2.597 -12.977 1.00 1.32 C ATOM 227 CE1 TYR A 14 -0.278 -0.454 -11.256 1.00 1.41 C ATOM 228 CE2 TYR A 14 -1.060 -2.192 -12.756 1.00 1.33 C ATOM 229 CZ TYR A 14 -1.330 -1.121 -11.896 1.00 0.70 C ATOM 230 OH TYR A 14 -2.633 -0.723 -11.678 1.00 0.82 O ATOM 0 H TYR A 14 3.713 -0.980 -10.700 1.00 0.54 H new ATOM 0 HA TYR A 14 2.571 -3.675 -10.865 1.00 0.60 H new ATOM 0 HB2 TYR A 14 3.354 -1.507 -12.862 1.00 0.61 H new ATOM 0 HB3 TYR A 14 2.790 -3.081 -13.388 1.00 0.61 H new ATOM 0 HD1 TYR A 14 1.855 -0.343 -10.982 1.00 1.37 H new ATOM 0 HD2 TYR A 14 0.470 -3.423 -13.641 1.00 1.32 H new ATOM 0 HE1 TYR A 14 -0.487 0.372 -10.593 1.00 1.41 H new ATOM 0 HE2 TYR A 14 -1.872 -2.706 -13.249 1.00 1.33 H new ATOM 0 HH TYR A 14 -3.240 -1.290 -12.199 1.00 0.82 H new ATOM 240 N GLU A 15 5.598 -3.064 -12.087 1.00 0.57 N ATOM 241 CA GLU A 15 6.902 -3.716 -12.448 1.00 0.60 C ATOM 242 C GLU A 15 7.173 -4.923 -11.519 1.00 0.53 C ATOM 243 O GLU A 15 7.656 -4.737 -10.420 1.00 0.57 O ATOM 244 CB GLU A 15 8.037 -2.685 -12.289 1.00 0.68 C ATOM 245 CG GLU A 15 8.237 -1.933 -13.609 1.00 0.89 C ATOM 246 CD GLU A 15 9.272 -0.824 -13.422 1.00 1.59 C ATOM 247 OE1 GLU A 15 9.909 -0.805 -12.382 1.00 2.12 O ATOM 248 OE2 GLU A 15 9.412 -0.014 -14.324 1.00 2.32 O ATOM 0 H GLU A 15 5.575 -2.055 -12.237 1.00 0.57 H new ATOM 0 HA GLU A 15 6.855 -4.068 -13.478 1.00 0.60 H new ATOM 0 HB2 GLU A 15 7.795 -1.982 -11.492 1.00 0.68 H new ATOM 0 HB3 GLU A 15 8.961 -3.187 -12.001 1.00 0.68 H new ATOM 0 HG2 GLU A 15 8.567 -2.624 -14.385 1.00 0.89 H new ATOM 0 HG3 GLU A 15 7.291 -1.507 -13.942 1.00 0.89 H new ATOM 255 N PRO A 16 6.846 -6.126 -11.964 1.00 0.51 N ATOM 256 CA PRO A 16 7.054 -7.324 -11.135 1.00 0.48 C ATOM 257 C PRO A 16 8.548 -7.567 -10.876 1.00 0.51 C ATOM 258 O PRO A 16 9.396 -7.368 -11.722 1.00 0.76 O ATOM 259 CB PRO A 16 6.442 -8.492 -11.949 1.00 0.53 C ATOM 260 CG PRO A 16 5.927 -7.908 -13.293 1.00 0.64 C ATOM 261 CD PRO A 16 6.258 -6.402 -13.301 1.00 0.60 C ATOM 0 HA PRO A 16 6.589 -7.220 -10.155 1.00 0.48 H new ATOM 0 HB2 PRO A 16 7.188 -9.266 -12.129 1.00 0.53 H new ATOM 0 HB3 PRO A 16 5.626 -8.958 -11.396 1.00 0.53 H new ATOM 0 HG2 PRO A 16 6.402 -8.409 -14.136 1.00 0.64 H new ATOM 0 HG3 PRO A 16 4.853 -8.065 -13.393 1.00 0.64 H new ATOM 0 HD2 PRO A 16 6.960 -6.157 -14.098 1.00 0.60 H new ATOM 0 HD3 PRO A 16 5.363 -5.803 -13.469 1.00 0.60 H new ATOM 269 N LEU A 17 8.835 -8.031 -9.699 1.00 0.63 N ATOM 270 CA LEU A 17 10.225 -8.357 -9.286 1.00 0.74 C ATOM 271 C LEU A 17 10.444 -9.865 -9.456 1.00 0.79 C ATOM 272 O LEU A 17 9.512 -10.644 -9.466 1.00 1.03 O ATOM 273 CB LEU A 17 10.401 -7.969 -7.795 1.00 0.79 C ATOM 274 CG LEU A 17 11.172 -6.634 -7.678 1.00 1.26 C ATOM 275 CD1 LEU A 17 11.202 -6.190 -6.213 1.00 1.12 C ATOM 276 CD2 LEU A 17 12.621 -6.794 -8.205 1.00 2.28 C ATOM 0 H LEU A 17 8.136 -8.205 -8.977 1.00 0.63 H new ATOM 0 HA LEU A 17 10.946 -7.811 -9.894 1.00 0.74 H new ATOM 0 HB2 LEU A 17 9.425 -7.877 -7.318 1.00 0.79 H new ATOM 0 HB3 LEU A 17 10.940 -8.756 -7.268 1.00 0.79 H new ATOM 0 HG LEU A 17 10.665 -5.881 -8.281 1.00 1.26 H new ATOM 0 HD11 LEU A 17 11.745 -5.249 -6.129 1.00 1.12 H new ATOM 0 HD12 LEU A 17 10.182 -6.054 -5.853 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.700 -6.951 -5.612 1.00 1.12 H new ATOM 0 HD21 LEU A 17 13.148 -5.844 -8.115 1.00 2.28 H new ATOM 0 HD22 LEU A 17 13.139 -7.554 -7.620 1.00 2.28 H new ATOM 0 HD23 LEU A 17 12.596 -7.097 -9.252 1.00 2.28 H new ATOM 288 N TYR A 18 11.679 -10.274 -9.600 1.00 0.78 N ATOM 289 CA TYR A 18 11.980 -11.726 -9.782 1.00 0.88 C ATOM 290 C TYR A 18 12.147 -12.380 -8.393 1.00 0.76 C ATOM 291 O TYR A 18 12.548 -11.710 -7.463 1.00 0.63 O ATOM 292 CB TYR A 18 13.287 -11.872 -10.588 1.00 1.09 C ATOM 293 CG TYR A 18 13.445 -10.692 -11.522 1.00 0.78 C ATOM 294 CD1 TYR A 18 12.359 -10.260 -12.293 1.00 1.41 C ATOM 295 CD2 TYR A 18 14.676 -10.029 -11.616 1.00 1.46 C ATOM 296 CE1 TYR A 18 12.503 -9.167 -13.156 1.00 1.67 C ATOM 297 CE2 TYR A 18 14.821 -8.938 -12.479 1.00 1.64 C ATOM 298 CZ TYR A 18 13.734 -8.506 -13.249 1.00 1.40 C ATOM 299 OH TYR A 18 13.876 -7.429 -14.101 1.00 1.95 O ATOM 0 H TYR A 18 12.495 -9.662 -9.599 1.00 0.78 H new ATOM 0 HA TYR A 18 11.167 -12.215 -10.319 1.00 0.88 H new ATOM 0 HB2 TYR A 18 14.139 -11.928 -9.910 1.00 1.09 H new ATOM 0 HB3 TYR A 18 13.272 -12.800 -11.159 1.00 1.09 H new ATOM 0 HD1 TYR A 18 11.410 -10.770 -12.222 1.00 1.41 H new ATOM 0 HD2 TYR A 18 15.514 -10.361 -11.021 1.00 1.46 H new ATOM 0 HE1 TYR A 18 11.665 -8.834 -13.750 1.00 1.67 H new ATOM 0 HE2 TYR A 18 15.771 -8.429 -12.552 1.00 1.64 H new ATOM 0 HH TYR A 18 14.792 -7.085 -14.044 1.00 1.95 H new ATOM 309 N PRO A 19 11.856 -13.663 -8.276 1.00 0.88 N ATOM 310 CA PRO A 19 12.006 -14.359 -6.984 1.00 0.87 C ATOM 311 C PRO A 19 13.468 -14.302 -6.513 1.00 0.80 C ATOM 312 O PRO A 19 13.753 -14.455 -5.340 1.00 0.77 O ATOM 313 CB PRO A 19 11.570 -15.818 -7.258 1.00 1.11 C ATOM 314 CG PRO A 19 11.221 -15.925 -8.770 1.00 1.24 C ATOM 315 CD PRO A 19 11.358 -14.514 -9.382 1.00 1.09 C ATOM 0 HA PRO A 19 11.407 -13.901 -6.197 1.00 0.87 H new ATOM 0 HB2 PRO A 19 12.369 -16.512 -6.999 1.00 1.11 H new ATOM 0 HB3 PRO A 19 10.708 -16.082 -6.646 1.00 1.11 H new ATOM 0 HG2 PRO A 19 11.891 -16.625 -9.269 1.00 1.24 H new ATOM 0 HG3 PRO A 19 10.207 -16.303 -8.903 1.00 1.24 H new ATOM 0 HD2 PRO A 19 12.052 -14.514 -10.223 1.00 1.09 H new ATOM 0 HD3 PRO A 19 10.401 -14.152 -9.758 1.00 1.09 H new ATOM 323 N GLN A 20 14.400 -14.099 -7.407 1.00 0.80 N ATOM 324 CA GLN A 20 15.829 -14.054 -6.995 1.00 0.77 C ATOM 325 C GLN A 20 16.103 -12.778 -6.194 1.00 0.68 C ATOM 326 O GLN A 20 16.614 -12.824 -5.093 1.00 0.67 O ATOM 327 CB GLN A 20 16.706 -14.077 -8.253 1.00 0.85 C ATOM 328 CG GLN A 20 18.132 -14.479 -7.880 1.00 1.41 C ATOM 329 CD GLN A 20 19.016 -14.446 -9.129 1.00 1.86 C ATOM 330 OE1 GLN A 20 18.522 -14.475 -10.238 1.00 2.60 O ATOM 331 NE2 GLN A 20 20.313 -14.387 -8.995 1.00 2.30 N ATOM 0 H GLN A 20 14.231 -13.963 -8.404 1.00 0.80 H new ATOM 0 HA GLN A 20 16.058 -14.915 -6.368 1.00 0.77 H new ATOM 0 HB2 GLN A 20 16.298 -14.780 -8.979 1.00 0.85 H new ATOM 0 HB3 GLN A 20 16.707 -13.095 -8.725 1.00 0.85 H new ATOM 0 HG2 GLN A 20 18.527 -13.800 -7.124 1.00 1.41 H new ATOM 0 HG3 GLN A 20 18.137 -15.478 -7.444 1.00 1.41 H new ATOM 0 HE21 GLN A 20 20.729 -14.363 -8.064 1.00 2.30 H new ATOM 0 HE22 GLN A 20 20.911 -14.365 -9.821 1.00 2.30 H new ATOM 340 N GLN A 21 15.773 -11.639 -6.739 1.00 0.64 N ATOM 341 CA GLN A 21 16.022 -10.364 -6.008 1.00 0.59 C ATOM 342 C GLN A 21 15.345 -10.418 -4.639 1.00 0.50 C ATOM 343 O GLN A 21 15.785 -9.797 -3.691 1.00 0.47 O ATOM 344 CB GLN A 21 15.446 -9.195 -6.808 1.00 0.64 C ATOM 345 CG GLN A 21 16.020 -9.213 -8.225 1.00 1.02 C ATOM 346 CD GLN A 21 17.530 -8.977 -8.166 1.00 1.57 C ATOM 347 OE1 GLN A 21 17.975 -7.875 -7.911 1.00 2.34 O ATOM 348 NE2 GLN A 21 18.343 -9.972 -8.393 1.00 1.94 N ATOM 0 H GLN A 21 15.342 -11.536 -7.658 1.00 0.64 H new ATOM 0 HA GLN A 21 17.096 -10.227 -5.880 1.00 0.59 H new ATOM 0 HB2 GLN A 21 14.359 -9.266 -6.844 1.00 0.64 H new ATOM 0 HB3 GLN A 21 15.688 -8.252 -6.318 1.00 0.64 H new ATOM 0 HG2 GLN A 21 15.809 -10.170 -8.702 1.00 1.02 H new ATOM 0 HG3 GLN A 21 15.544 -8.443 -8.832 1.00 1.02 H new ATOM 0 HE21 GLN A 21 17.970 -10.897 -8.607 1.00 1.94 H new ATOM 0 HE22 GLN A 21 19.352 -9.825 -8.356 1.00 1.94 H new ATOM 357 N LEU A 22 14.277 -11.156 -4.528 1.00 0.52 N ATOM 358 CA LEU A 22 13.574 -11.248 -3.226 1.00 0.46 C ATOM 359 C LEU A 22 14.428 -12.043 -2.241 1.00 0.42 C ATOM 360 O LEU A 22 14.397 -11.807 -1.047 1.00 0.40 O ATOM 361 CB LEU A 22 12.231 -11.957 -3.433 1.00 0.52 C ATOM 362 CG LEU A 22 11.333 -11.778 -2.193 1.00 0.59 C ATOM 363 CD1 LEU A 22 10.555 -10.461 -2.291 1.00 0.52 C ATOM 364 CD2 LEU A 22 10.336 -12.937 -2.117 1.00 0.93 C ATOM 0 H LEU A 22 13.862 -11.699 -5.285 1.00 0.52 H new ATOM 0 HA LEU A 22 13.403 -10.248 -2.826 1.00 0.46 H new ATOM 0 HB2 LEU A 22 11.731 -11.553 -4.313 1.00 0.52 H new ATOM 0 HB3 LEU A 22 12.397 -13.018 -3.619 1.00 0.52 H new ATOM 0 HG LEU A 22 11.960 -11.763 -1.302 1.00 0.59 H new ATOM 0 HD11 LEU A 22 9.924 -10.345 -1.410 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.256 -9.628 -2.348 1.00 0.52 H new ATOM 0 HD13 LEU A 22 9.931 -10.472 -3.185 1.00 0.52 H new ATOM 0 HD21 LEU A 22 9.700 -12.813 -1.241 1.00 0.93 H new ATOM 0 HD22 LEU A 22 9.719 -12.946 -3.015 1.00 0.93 H new ATOM 0 HD23 LEU A 22 10.879 -13.879 -2.041 1.00 0.93 H new ATOM 376 N GLU A 23 15.183 -12.997 -2.720 1.00 0.44 N ATOM 377 CA GLU A 23 16.015 -13.807 -1.783 1.00 0.42 C ATOM 378 C GLU A 23 17.203 -12.966 -1.307 1.00 0.38 C ATOM 379 O GLU A 23 17.693 -13.132 -0.208 1.00 0.37 O ATOM 380 CB GLU A 23 16.506 -15.069 -2.494 1.00 0.47 C ATOM 381 CG GLU A 23 17.143 -16.022 -1.483 1.00 1.13 C ATOM 382 CD GLU A 23 17.545 -17.317 -2.191 1.00 1.66 C ATOM 383 OE1 GLU A 23 16.667 -18.124 -2.451 1.00 2.28 O ATOM 384 OE2 GLU A 23 18.723 -17.479 -2.465 1.00 2.30 O ATOM 0 H GLU A 23 15.259 -13.248 -3.706 1.00 0.44 H new ATOM 0 HA GLU A 23 15.419 -14.102 -0.919 1.00 0.42 H new ATOM 0 HB2 GLU A 23 15.673 -15.561 -2.996 1.00 0.47 H new ATOM 0 HB3 GLU A 23 17.231 -14.804 -3.264 1.00 0.47 H new ATOM 0 HG2 GLU A 23 18.017 -15.556 -1.028 1.00 1.13 H new ATOM 0 HG3 GLU A 23 16.441 -16.238 -0.677 1.00 1.13 H new ATOM 391 N ILE A 24 17.668 -12.055 -2.125 1.00 0.39 N ATOM 392 CA ILE A 24 18.813 -11.200 -1.718 1.00 0.39 C ATOM 393 C ILE A 24 18.411 -10.387 -0.485 1.00 0.36 C ATOM 394 O ILE A 24 19.104 -10.371 0.513 1.00 0.37 O ATOM 395 CB ILE A 24 19.170 -10.259 -2.874 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.463 -11.091 -4.129 1.00 0.52 C ATOM 397 CG2 ILE A 24 20.406 -9.437 -2.504 1.00 0.48 C ATOM 398 CD1 ILE A 24 19.819 -10.169 -5.301 1.00 0.89 C ATOM 0 H ILE A 24 17.300 -11.870 -3.058 1.00 0.39 H new ATOM 0 HA ILE A 24 19.679 -11.816 -1.477 1.00 0.39 H new ATOM 0 HB ILE A 24 18.336 -9.585 -3.068 1.00 0.44 H new ATOM 0 HG12 ILE A 24 20.286 -11.779 -3.935 1.00 0.52 H new ATOM 0 HG13 ILE A 24 18.594 -11.697 -4.384 1.00 0.52 H new ATOM 0 HG21 ILE A 24 20.658 -8.769 -3.327 1.00 0.48 H new ATOM 0 HG22 ILE A 24 20.198 -8.849 -1.610 1.00 0.48 H new ATOM 0 HG23 ILE A 24 21.244 -10.107 -2.311 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.025 -10.770 -6.187 1.00 0.89 H new ATOM 0 HD12 ILE A 24 18.984 -9.499 -5.503 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.702 -9.582 -5.047 1.00 0.89 H new ATOM 410 N LEU A 25 17.295 -9.712 -0.546 1.00 0.34 N ATOM 411 CA LEU A 25 16.850 -8.903 0.624 1.00 0.34 C ATOM 412 C LEU A 25 16.685 -9.822 1.838 1.00 0.32 C ATOM 413 O LEU A 25 16.871 -9.415 2.967 1.00 0.34 O ATOM 414 CB LEU A 25 15.511 -8.227 0.303 1.00 0.36 C ATOM 415 CG LEU A 25 15.674 -7.266 -0.889 1.00 0.38 C ATOM 416 CD1 LEU A 25 14.300 -6.960 -1.492 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.320 -5.950 -0.431 1.00 0.41 C ATOM 0 H LEU A 25 16.673 -9.686 -1.354 1.00 0.34 H new ATOM 0 HA LEU A 25 17.594 -8.137 0.844 1.00 0.34 H new ATOM 0 HB2 LEU A 25 14.760 -8.982 0.071 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.153 -7.679 1.175 1.00 0.36 H new ATOM 0 HG LEU A 25 16.313 -7.741 -1.634 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.416 -6.280 -2.336 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.838 -7.886 -1.834 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.666 -6.496 -0.736 1.00 0.44 H new ATOM 0 HD21 LEU A 25 16.428 -5.281 -1.285 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.689 -5.478 0.322 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.302 -6.156 -0.004 1.00 0.41 H new ATOM 429 N ARG A 26 16.342 -11.061 1.612 1.00 0.31 N ATOM 430 CA ARG A 26 16.170 -12.011 2.748 1.00 0.33 C ATOM 431 C ARG A 26 17.538 -12.327 3.355 1.00 0.31 C ATOM 432 O ARG A 26 17.698 -12.372 4.559 1.00 0.32 O ATOM 433 CB ARG A 26 15.530 -13.305 2.241 1.00 0.38 C ATOM 434 CG ARG A 26 15.147 -14.183 3.433 1.00 0.69 C ATOM 435 CD ARG A 26 14.475 -15.461 2.930 1.00 1.00 C ATOM 436 NE ARG A 26 14.170 -16.348 4.087 1.00 1.36 N ATOM 437 CZ ARG A 26 13.348 -17.351 3.943 1.00 1.86 C ATOM 438 NH1 ARG A 26 12.797 -17.581 2.783 1.00 2.36 N ATOM 439 NH2 ARG A 26 13.078 -18.124 4.959 1.00 2.46 N ATOM 0 H ARG A 26 16.173 -11.457 0.687 1.00 0.31 H new ATOM 0 HA ARG A 26 15.528 -11.560 3.504 1.00 0.33 H new ATOM 0 HB2 ARG A 26 14.647 -13.077 1.644 1.00 0.38 H new ATOM 0 HB3 ARG A 26 16.225 -13.837 1.592 1.00 0.38 H new ATOM 0 HG2 ARG A 26 16.034 -14.431 4.015 1.00 0.69 H new ATOM 0 HG3 ARG A 26 14.472 -13.641 4.095 1.00 0.69 H new ATOM 0 HD2 ARG A 26 13.558 -15.216 2.394 1.00 1.00 H new ATOM 0 HD3 ARG A 26 15.128 -15.976 2.226 1.00 1.00 H new ATOM 0 HE ARG A 26 14.604 -16.171 4.993 1.00 1.36 H new ATOM 0 HH11 ARG A 26 13.009 -16.977 1.989 1.00 2.36 H new ATOM 0 HH12 ARG A 26 12.154 -18.365 2.670 1.00 2.36 H new ATOM 0 HH21 ARG A 26 13.509 -17.944 5.866 1.00 2.46 H new ATOM 0 HH22 ARG A 26 12.435 -18.908 4.847 1.00 2.46 H new ATOM 453 N GLN A 27 18.533 -12.513 2.534 1.00 0.31 N ATOM 454 CA GLN A 27 19.899 -12.792 3.057 1.00 0.32 C ATOM 455 C GLN A 27 20.330 -11.644 3.969 1.00 0.31 C ATOM 456 O GLN A 27 20.872 -11.850 5.036 1.00 0.33 O ATOM 457 CB GLN A 27 20.869 -12.875 1.872 1.00 0.33 C ATOM 458 CG GLN A 27 20.591 -14.150 1.059 1.00 0.99 C ATOM 459 CD GLN A 27 21.251 -15.360 1.731 1.00 1.48 C ATOM 460 OE1 GLN A 27 21.364 -16.413 1.134 1.00 2.02 O ATOM 461 NE2 GLN A 27 21.695 -15.257 2.954 1.00 2.23 N ATOM 0 H GLN A 27 18.458 -12.484 1.517 1.00 0.31 H new ATOM 0 HA GLN A 27 19.902 -13.728 3.615 1.00 0.32 H new ATOM 0 HB2 GLN A 27 20.757 -11.996 1.237 1.00 0.33 H new ATOM 0 HB3 GLN A 27 21.898 -12.879 2.232 1.00 0.33 H new ATOM 0 HG2 GLN A 27 19.516 -14.311 0.978 1.00 0.99 H new ATOM 0 HG3 GLN A 27 20.974 -14.034 0.045 1.00 0.99 H new ATOM 0 HE21 GLN A 27 21.602 -14.375 3.458 1.00 2.23 H new ATOM 0 HE22 GLN A 27 22.135 -16.058 3.406 1.00 2.23 H new ATOM 470 N GLN A 28 20.086 -10.432 3.549 1.00 0.30 N ATOM 471 CA GLN A 28 20.473 -9.259 4.381 1.00 0.31 C ATOM 472 C GLN A 28 19.639 -9.255 5.660 1.00 0.30 C ATOM 473 O GLN A 28 20.102 -8.865 6.713 1.00 0.34 O ATOM 474 CB GLN A 28 20.214 -7.970 3.595 1.00 0.33 C ATOM 475 CG GLN A 28 20.901 -6.793 4.293 1.00 1.10 C ATOM 476 CD GLN A 28 22.413 -6.877 4.072 1.00 1.61 C ATOM 477 OE1 GLN A 28 23.124 -7.458 4.867 1.00 2.28 O ATOM 478 NE2 GLN A 28 22.937 -6.316 3.016 1.00 2.28 N ATOM 0 H GLN A 28 19.634 -10.204 2.663 1.00 0.30 H new ATOM 0 HA GLN A 28 21.531 -9.320 4.635 1.00 0.31 H new ATOM 0 HB2 GLN A 28 20.590 -8.072 2.577 1.00 0.33 H new ATOM 0 HB3 GLN A 28 19.142 -7.786 3.522 1.00 0.33 H new ATOM 0 HG2 GLN A 28 20.518 -5.851 3.901 1.00 1.10 H new ATOM 0 HG3 GLN A 28 20.678 -6.809 5.360 1.00 1.10 H new ATOM 0 HE21 GLN A 28 22.340 -5.828 2.348 1.00 2.28 H new ATOM 0 HE22 GLN A 28 23.944 -6.366 2.859 1.00 2.28 H new ATOM 487 N VAL A 29 18.412 -9.692 5.581 1.00 0.27 N ATOM 488 CA VAL A 29 17.559 -9.713 6.800 1.00 0.28 C ATOM 489 C VAL A 29 18.011 -10.860 7.712 1.00 0.30 C ATOM 490 O VAL A 29 18.240 -10.675 8.891 1.00 0.33 O ATOM 491 CB VAL A 29 16.095 -9.906 6.381 1.00 0.27 C ATOM 492 CG1 VAL A 29 15.235 -10.271 7.599 1.00 0.30 C ATOM 493 CG2 VAL A 29 15.577 -8.605 5.757 1.00 0.27 C ATOM 0 H VAL A 29 17.966 -10.033 4.729 1.00 0.27 H new ATOM 0 HA VAL A 29 17.653 -8.773 7.344 1.00 0.28 H new ATOM 0 HB VAL A 29 16.034 -10.717 5.655 1.00 0.27 H new ATOM 0 HG11 VAL A 29 14.199 -10.405 7.286 1.00 0.30 H new ATOM 0 HG12 VAL A 29 15.603 -11.197 8.040 1.00 0.30 H new ATOM 0 HG13 VAL A 29 15.291 -9.471 8.337 1.00 0.30 H new ATOM 0 HG21 VAL A 29 14.537 -8.734 5.457 1.00 0.27 H new ATOM 0 HG22 VAL A 29 15.646 -7.799 6.487 1.00 0.27 H new ATOM 0 HG23 VAL A 29 16.179 -8.356 4.883 1.00 0.27 H new ATOM 503 N VAL A 30 18.131 -12.043 7.177 1.00 0.31 N ATOM 504 CA VAL A 30 18.556 -13.203 8.009 1.00 0.35 C ATOM 505 C VAL A 30 20.005 -13.025 8.464 1.00 0.37 C ATOM 506 O VAL A 30 20.345 -13.288 9.600 1.00 0.42 O ATOM 507 CB VAL A 30 18.445 -14.479 7.176 1.00 0.35 C ATOM 508 CG1 VAL A 30 18.843 -15.684 8.025 1.00 0.40 C ATOM 509 CG2 VAL A 30 17.004 -14.645 6.699 1.00 0.35 C ATOM 0 H VAL A 30 17.952 -12.257 6.196 1.00 0.31 H new ATOM 0 HA VAL A 30 17.914 -13.268 8.887 1.00 0.35 H new ATOM 0 HB VAL A 30 19.111 -14.411 6.316 1.00 0.35 H new ATOM 0 HG11 VAL A 30 18.763 -16.592 7.428 1.00 0.40 H new ATOM 0 HG12 VAL A 30 19.871 -15.564 8.367 1.00 0.40 H new ATOM 0 HG13 VAL A 30 18.180 -15.757 8.887 1.00 0.40 H new ATOM 0 HG21 VAL A 30 16.920 -15.554 6.104 1.00 0.35 H new ATOM 0 HG22 VAL A 30 16.341 -14.713 7.561 1.00 0.35 H new ATOM 0 HG23 VAL A 30 16.721 -13.786 6.091 1.00 0.35 H new ATOM 519 N SER A 31 20.867 -12.597 7.586 1.00 0.36 N ATOM 520 CA SER A 31 22.296 -12.427 7.978 1.00 0.39 C ATOM 521 C SER A 31 22.399 -11.429 9.139 1.00 0.42 C ATOM 522 O SER A 31 23.345 -11.449 9.900 1.00 0.47 O ATOM 523 CB SER A 31 23.103 -11.930 6.777 1.00 0.38 C ATOM 524 OG SER A 31 22.647 -10.637 6.404 1.00 1.36 O ATOM 0 H SER A 31 20.648 -12.358 6.619 1.00 0.36 H new ATOM 0 HA SER A 31 22.701 -13.386 8.302 1.00 0.39 H new ATOM 0 HB2 SER A 31 24.163 -11.896 7.027 1.00 0.38 H new ATOM 0 HB3 SER A 31 22.995 -12.621 5.941 1.00 0.38 H new ATOM 0 HG SER A 31 21.713 -10.691 6.114 1.00 1.36 H new ATOM 530 N GLU A 32 21.447 -10.539 9.265 1.00 0.42 N ATOM 531 CA GLU A 32 21.505 -9.530 10.362 1.00 0.47 C ATOM 532 C GLU A 32 20.848 -10.093 11.629 1.00 0.49 C ATOM 533 O GLU A 32 20.939 -9.509 12.691 1.00 0.54 O ATOM 534 CB GLU A 32 20.773 -8.262 9.919 1.00 0.48 C ATOM 535 CG GLU A 32 21.631 -7.493 8.914 1.00 0.79 C ATOM 536 CD GLU A 32 20.854 -6.275 8.410 1.00 1.50 C ATOM 537 OE1 GLU A 32 19.914 -6.467 7.656 1.00 2.23 O ATOM 538 OE2 GLU A 32 21.210 -5.172 8.789 1.00 2.22 O ATOM 0 H GLU A 32 20.633 -10.469 8.655 1.00 0.42 H new ATOM 0 HA GLU A 32 22.546 -9.294 10.581 1.00 0.47 H new ATOM 0 HB2 GLU A 32 19.815 -8.523 9.469 1.00 0.48 H new ATOM 0 HB3 GLU A 32 20.559 -7.634 10.784 1.00 0.48 H new ATOM 0 HG2 GLU A 32 22.563 -7.176 9.382 1.00 0.79 H new ATOM 0 HG3 GLU A 32 21.898 -8.139 8.078 1.00 0.79 H new ATOM 545 N GLY A 33 20.202 -11.232 11.528 1.00 0.47 N ATOM 546 CA GLY A 33 19.548 -11.853 12.730 1.00 0.50 C ATOM 547 C GLY A 33 18.047 -12.031 12.485 1.00 0.50 C ATOM 548 O GLY A 33 17.292 -12.292 13.400 1.00 0.66 O ATOM 0 H GLY A 33 20.098 -11.761 10.662 1.00 0.47 H new ATOM 0 HA2 GLY A 33 20.006 -12.819 12.943 1.00 0.50 H new ATOM 0 HA3 GLY A 33 19.709 -11.224 13.606 1.00 0.50 H new ATOM 552 N GLY A 34 17.606 -11.901 11.264 1.00 0.43 N ATOM 553 CA GLY A 34 16.154 -12.074 10.977 1.00 0.43 C ATOM 554 C GLY A 34 15.347 -10.959 11.680 1.00 0.43 C ATOM 555 O GLY A 34 15.535 -9.803 11.356 1.00 0.41 O ATOM 0 H GLY A 34 18.187 -11.683 10.454 1.00 0.43 H new ATOM 0 HA2 GLY A 34 15.979 -12.040 9.902 1.00 0.43 H new ATOM 0 HA3 GLY A 34 15.819 -13.052 11.323 1.00 0.43 H new ATOM 559 N PRO A 35 14.469 -11.297 12.616 1.00 0.47 N ATOM 560 CA PRO A 35 13.673 -10.263 13.310 1.00 0.51 C ATOM 561 C PRO A 35 14.601 -9.243 13.986 1.00 0.52 C ATOM 562 O PRO A 35 14.371 -8.052 13.939 1.00 0.64 O ATOM 563 CB PRO A 35 12.834 -11.035 14.356 1.00 0.57 C ATOM 564 CG PRO A 35 13.153 -12.547 14.191 1.00 0.58 C ATOM 565 CD PRO A 35 14.193 -12.685 13.061 1.00 0.52 C ATOM 0 HA PRO A 35 13.038 -9.698 12.627 1.00 0.51 H new ATOM 0 HB2 PRO A 35 13.077 -10.700 15.364 1.00 0.57 H new ATOM 0 HB3 PRO A 35 11.770 -10.849 14.206 1.00 0.57 H new ATOM 0 HG2 PRO A 35 13.542 -12.960 15.122 1.00 0.58 H new ATOM 0 HG3 PRO A 35 12.248 -13.105 13.949 1.00 0.58 H new ATOM 0 HD2 PRO A 35 15.100 -13.172 13.418 1.00 0.52 H new ATOM 0 HD3 PRO A 35 13.807 -13.292 12.242 1.00 0.52 H new ATOM 573 N THR A 36 15.642 -9.709 14.620 1.00 0.50 N ATOM 574 CA THR A 36 16.581 -8.777 15.306 1.00 0.50 C ATOM 575 C THR A 36 17.360 -7.965 14.268 1.00 0.48 C ATOM 576 O THR A 36 18.292 -7.257 14.596 1.00 0.48 O ATOM 577 CB THR A 36 17.564 -9.591 16.154 1.00 0.51 C ATOM 578 OG1 THR A 36 18.068 -10.673 15.384 1.00 0.69 O ATOM 579 CG2 THR A 36 16.846 -10.134 17.392 1.00 0.80 C ATOM 0 H THR A 36 15.883 -10.697 14.693 1.00 0.50 H new ATOM 0 HA THR A 36 16.015 -8.096 15.942 1.00 0.50 H new ATOM 0 HB THR A 36 18.389 -8.952 16.467 1.00 0.51 H new ATOM 0 HG1 THR A 36 18.698 -11.194 15.925 1.00 0.69 H new ATOM 0 HG21 THR A 36 17.546 -10.713 17.994 1.00 0.80 H new ATOM 0 HG22 THR A 36 16.460 -9.303 17.983 1.00 0.80 H new ATOM 0 HG23 THR A 36 16.019 -10.773 17.082 1.00 0.80 H new ATOM 587 N ALA A 37 16.994 -8.063 13.019 1.00 0.48 N ATOM 588 CA ALA A 37 17.727 -7.297 11.972 1.00 0.48 C ATOM 589 C ALA A 37 17.395 -5.806 12.094 1.00 0.55 C ATOM 590 O ALA A 37 16.407 -5.428 12.692 1.00 1.10 O ATOM 591 CB ALA A 37 17.320 -7.800 10.586 1.00 0.42 C ATOM 0 H ALA A 37 16.223 -8.638 12.680 1.00 0.48 H new ATOM 0 HA ALA A 37 18.799 -7.440 12.108 1.00 0.48 H new ATOM 0 HB1 ALA A 37 17.858 -7.238 9.823 1.00 0.42 H new ATOM 0 HB2 ALA A 37 17.564 -8.858 10.497 1.00 0.42 H new ATOM 0 HB3 ALA A 37 16.247 -7.663 10.450 1.00 0.42 H new ATOM 597 N THR A 38 18.213 -4.956 11.533 1.00 0.45 N ATOM 598 CA THR A 38 17.944 -3.492 11.619 1.00 0.46 C ATOM 599 C THR A 38 16.579 -3.184 11.001 1.00 0.40 C ATOM 600 O THR A 38 16.057 -3.946 10.212 1.00 0.36 O ATOM 601 CB THR A 38 19.029 -2.725 10.856 1.00 0.48 C ATOM 602 OG1 THR A 38 19.137 -3.245 9.538 1.00 0.66 O ATOM 603 CG2 THR A 38 20.369 -2.876 11.577 1.00 0.66 C ATOM 0 H THR A 38 19.056 -5.213 11.019 1.00 0.45 H new ATOM 0 HA THR A 38 17.948 -3.187 12.665 1.00 0.46 H new ATOM 0 HB THR A 38 18.762 -1.669 10.810 1.00 0.48 H new ATOM 0 HG1 THR A 38 18.399 -3.867 9.370 1.00 0.66 H new ATOM 0 HG21 THR A 38 21.139 -2.330 11.032 1.00 0.66 H new ATOM 0 HG22 THR A 38 20.286 -2.475 12.587 1.00 0.66 H new ATOM 0 HG23 THR A 38 20.639 -3.931 11.626 1.00 0.66 H new ATOM 611 N ILE A 39 15.997 -2.071 11.355 1.00 0.47 N ATOM 612 CA ILE A 39 14.666 -1.709 10.792 1.00 0.45 C ATOM 613 C ILE A 39 14.775 -1.562 9.272 1.00 0.40 C ATOM 614 O ILE A 39 13.936 -2.034 8.531 1.00 0.38 O ATOM 615 CB ILE A 39 14.209 -0.381 11.404 1.00 0.55 C ATOM 616 CG1 ILE A 39 14.238 -0.491 12.932 1.00 0.73 C ATOM 617 CG2 ILE A 39 12.784 -0.059 10.947 1.00 0.53 C ATOM 618 CD1 ILE A 39 13.831 0.848 13.552 1.00 0.73 C ATOM 0 H ILE A 39 16.387 -1.395 12.012 1.00 0.47 H new ATOM 0 HA ILE A 39 13.943 -2.490 11.026 1.00 0.45 H new ATOM 0 HB ILE A 39 14.879 0.414 11.077 1.00 0.55 H new ATOM 0 HG12 ILE A 39 13.560 -1.277 13.263 1.00 0.73 H new ATOM 0 HG13 ILE A 39 15.237 -0.770 13.268 1.00 0.73 H new ATOM 0 HG21 ILE A 39 12.466 0.887 11.386 1.00 0.53 H new ATOM 0 HG22 ILE A 39 12.759 0.019 9.860 1.00 0.53 H new ATOM 0 HG23 ILE A 39 12.110 -0.853 11.269 1.00 0.53 H new ATOM 0 HD11 ILE A 39 13.852 0.767 14.639 1.00 0.73 H new ATOM 0 HD12 ILE A 39 14.527 1.624 13.232 1.00 0.73 H new ATOM 0 HD13 ILE A 39 12.824 1.108 13.227 1.00 0.73 H new ATOM 630 N GLN A 40 15.800 -0.906 8.804 1.00 0.42 N ATOM 631 CA GLN A 40 15.963 -0.721 7.334 1.00 0.43 C ATOM 632 C GLN A 40 15.888 -2.075 6.626 1.00 0.35 C ATOM 633 O GLN A 40 15.517 -2.162 5.472 1.00 0.37 O ATOM 634 CB GLN A 40 17.323 -0.079 7.049 1.00 0.53 C ATOM 635 CG GLN A 40 17.364 1.324 7.655 1.00 1.38 C ATOM 636 CD GLN A 40 18.787 1.878 7.560 1.00 1.91 C ATOM 637 OE1 GLN A 40 19.400 2.185 8.563 1.00 2.54 O ATOM 638 NE2 GLN A 40 19.342 2.019 6.387 1.00 2.43 N ATOM 0 H GLN A 40 16.534 -0.489 9.377 1.00 0.42 H new ATOM 0 HA GLN A 40 15.165 -0.076 6.965 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.121 -0.691 7.469 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.494 -0.027 5.974 1.00 0.53 H new ATOM 0 HG2 GLN A 40 16.671 1.980 7.128 1.00 1.38 H new ATOM 0 HG3 GLN A 40 17.043 1.292 8.696 1.00 1.38 H new ATOM 0 HE21 GLN A 40 18.827 1.761 5.545 1.00 2.43 H new ATOM 0 HE22 GLN A 40 20.290 2.387 6.312 1.00 2.43 H new ATOM 647 N SER A 41 16.249 -3.131 7.300 1.00 0.31 N ATOM 648 CA SER A 41 16.213 -4.474 6.655 1.00 0.28 C ATOM 649 C SER A 41 14.761 -4.881 6.385 1.00 0.24 C ATOM 650 O SER A 41 14.423 -5.326 5.306 1.00 0.25 O ATOM 651 CB SER A 41 16.882 -5.503 7.575 1.00 0.29 C ATOM 652 OG SER A 41 17.968 -4.885 8.254 1.00 1.32 O ATOM 0 H SER A 41 16.567 -3.123 8.269 1.00 0.31 H new ATOM 0 HA SER A 41 16.752 -4.435 5.708 1.00 0.28 H new ATOM 0 HB2 SER A 41 16.160 -5.889 8.294 1.00 0.29 H new ATOM 0 HB3 SER A 41 17.238 -6.353 6.992 1.00 0.29 H new ATOM 0 HG SER A 41 18.809 -5.128 7.814 1.00 1.32 H new ATOM 658 N ARG A 42 13.901 -4.732 7.354 1.00 0.22 N ATOM 659 CA ARG A 42 12.477 -5.112 7.140 1.00 0.21 C ATOM 660 C ARG A 42 11.820 -4.097 6.204 1.00 0.20 C ATOM 661 O ARG A 42 10.967 -4.435 5.408 1.00 0.20 O ATOM 662 CB ARG A 42 11.731 -5.132 8.482 1.00 0.24 C ATOM 663 CG ARG A 42 12.335 -6.213 9.412 1.00 0.52 C ATOM 664 CD ARG A 42 13.565 -5.672 10.192 1.00 0.82 C ATOM 665 NE ARG A 42 13.353 -5.811 11.674 1.00 1.50 N ATOM 666 CZ ARG A 42 12.270 -5.367 12.264 1.00 1.92 C ATOM 667 NH1 ARG A 42 11.356 -4.733 11.584 1.00 1.83 N ATOM 668 NH2 ARG A 42 12.115 -5.545 13.547 1.00 2.91 N ATOM 0 H ARG A 42 14.121 -4.366 8.280 1.00 0.22 H new ATOM 0 HA ARG A 42 12.432 -6.106 6.695 1.00 0.21 H new ATOM 0 HB2 ARG A 42 11.797 -4.154 8.958 1.00 0.24 H new ATOM 0 HB3 ARG A 42 10.673 -5.335 8.316 1.00 0.24 H new ATOM 0 HG2 ARG A 42 11.576 -6.553 10.117 1.00 0.52 H new ATOM 0 HG3 ARG A 42 12.631 -7.079 8.820 1.00 0.52 H new ATOM 0 HD2 ARG A 42 14.460 -6.218 9.894 1.00 0.82 H new ATOM 0 HD3 ARG A 42 13.731 -4.625 9.939 1.00 0.82 H new ATOM 0 HE ARG A 42 14.073 -6.264 12.237 1.00 1.50 H new ATOM 0 HH11 ARG A 42 11.480 -4.579 10.583 1.00 1.83 H new ATOM 0 HH12 ARG A 42 10.517 -4.391 12.053 1.00 1.83 H new ATOM 0 HH21 ARG A 42 12.834 -6.027 14.086 1.00 2.91 H new ATOM 0 HH22 ARG A 42 11.274 -5.202 14.012 1.00 2.91 H new ATOM 682 N PHE A 43 12.200 -2.852 6.300 1.00 0.22 N ATOM 683 CA PHE A 43 11.585 -1.820 5.420 1.00 0.24 C ATOM 684 C PHE A 43 11.723 -2.246 3.955 1.00 0.23 C ATOM 685 O PHE A 43 10.749 -2.329 3.233 1.00 0.23 O ATOM 686 CB PHE A 43 12.283 -0.464 5.649 1.00 0.28 C ATOM 687 CG PHE A 43 11.286 0.664 5.459 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.703 0.873 4.204 1.00 1.40 C ATOM 689 CD2 PHE A 43 10.939 1.490 6.538 1.00 1.18 C ATOM 690 CE1 PHE A 43 9.774 1.905 4.026 1.00 1.48 C ATOM 691 CE2 PHE A 43 10.012 2.523 6.358 1.00 1.22 C ATOM 692 CZ PHE A 43 9.428 2.730 5.103 1.00 0.70 C ATOM 0 H PHE A 43 12.908 -2.506 6.948 1.00 0.22 H new ATOM 0 HA PHE A 43 10.527 -1.718 5.660 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.703 -0.426 6.654 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.113 -0.349 4.952 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.970 0.238 3.372 1.00 1.40 H new ATOM 0 HD2 PHE A 43 11.387 1.329 7.507 1.00 1.18 H new ATOM 0 HE1 PHE A 43 9.324 2.065 3.057 1.00 1.48 H new ATOM 0 HE2 PHE A 43 9.747 3.161 7.188 1.00 1.22 H new ATOM 0 HZ PHE A 43 8.711 3.526 4.965 1.00 0.70 H new ATOM 702 N ASN A 44 12.918 -2.517 3.503 1.00 0.24 N ATOM 703 CA ASN A 44 13.098 -2.935 2.083 1.00 0.24 C ATOM 704 C ASN A 44 12.406 -4.278 1.853 1.00 0.22 C ATOM 705 O ASN A 44 11.807 -4.509 0.822 1.00 0.23 O ATOM 706 CB ASN A 44 14.594 -3.078 1.784 1.00 0.25 C ATOM 707 CG ASN A 44 15.282 -1.722 1.949 1.00 0.95 C ATOM 708 OD1 ASN A 44 15.743 -1.140 0.987 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.373 -1.191 3.138 1.00 1.67 N ATOM 0 H ASN A 44 13.775 -2.467 4.054 1.00 0.24 H new ATOM 0 HA ASN A 44 12.661 -2.184 1.425 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.042 -3.809 2.458 1.00 0.25 H new ATOM 0 HB3 ASN A 44 14.739 -3.449 0.769 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.831 -0.288 3.259 1.00 1.67 H new ATOM 0 HD22 ASN A 44 14.986 -1.679 3.946 1.00 1.67 H new ATOM 716 N TYR A 45 12.482 -5.168 2.806 1.00 0.21 N ATOM 717 CA TYR A 45 11.825 -6.493 2.636 1.00 0.20 C ATOM 718 C TYR A 45 10.327 -6.285 2.409 1.00 0.21 C ATOM 719 O TYR A 45 9.680 -7.048 1.718 1.00 0.22 O ATOM 720 CB TYR A 45 12.042 -7.339 3.895 1.00 0.20 C ATOM 721 CG TYR A 45 11.713 -8.787 3.597 1.00 0.21 C ATOM 722 CD1 TYR A 45 12.524 -9.516 2.719 1.00 1.33 C ATOM 723 CD2 TYR A 45 10.603 -9.399 4.195 1.00 1.12 C ATOM 724 CE1 TYR A 45 12.227 -10.855 2.438 1.00 1.43 C ATOM 725 CE2 TYR A 45 10.306 -10.739 3.913 1.00 1.05 C ATOM 726 CZ TYR A 45 11.119 -11.466 3.035 1.00 0.43 C ATOM 727 OH TYR A 45 10.827 -12.786 2.758 1.00 0.57 O ATOM 0 H TYR A 45 12.970 -5.034 3.692 1.00 0.21 H new ATOM 0 HA TYR A 45 12.257 -7.009 1.779 1.00 0.20 H new ATOM 0 HB2 TYR A 45 13.076 -7.252 4.230 1.00 0.20 H new ATOM 0 HB3 TYR A 45 11.412 -6.972 4.705 1.00 0.20 H new ATOM 0 HD1 TYR A 45 13.380 -9.045 2.258 1.00 1.33 H new ATOM 0 HD2 TYR A 45 9.977 -8.838 4.873 1.00 1.12 H new ATOM 0 HE1 TYR A 45 12.853 -11.416 1.760 1.00 1.43 H new ATOM 0 HE2 TYR A 45 9.450 -11.211 4.373 1.00 1.05 H new ATOM 0 HH TYR A 45 10.027 -13.055 3.255 1.00 0.57 H new ATOM 737 N ALA A 46 9.770 -5.254 2.984 1.00 0.22 N ATOM 738 CA ALA A 46 8.316 -4.995 2.801 1.00 0.24 C ATOM 739 C ALA A 46 8.059 -4.495 1.380 1.00 0.25 C ATOM 740 O ALA A 46 7.021 -4.746 0.807 1.00 0.28 O ATOM 741 CB ALA A 46 7.855 -3.936 3.803 1.00 0.26 C ATOM 0 H ALA A 46 10.260 -4.580 3.573 1.00 0.22 H new ATOM 0 HA ALA A 46 7.762 -5.919 2.967 1.00 0.24 H new ATOM 0 HB1 ALA A 46 6.790 -3.747 3.668 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.035 -4.292 4.817 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.411 -3.013 3.639 1.00 0.26 H new ATOM 747 N TRP A 47 8.991 -3.787 0.805 1.00 0.26 N ATOM 748 CA TRP A 47 8.778 -3.273 -0.577 1.00 0.29 C ATOM 749 C TRP A 47 8.768 -4.441 -1.567 1.00 0.29 C ATOM 750 O TRP A 47 7.889 -4.546 -2.400 1.00 0.29 O ATOM 751 CB TRP A 47 9.899 -2.294 -0.935 1.00 0.33 C ATOM 752 CG TRP A 47 9.737 -1.830 -2.350 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.617 -2.074 -3.349 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.656 -1.048 -2.940 1.00 0.35 C ATOM 755 NE1 TRP A 47 10.144 -1.495 -4.513 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.940 -0.852 -4.313 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.467 -0.495 -2.425 1.00 0.36 C ATOM 758 CZ2 TRP A 47 8.079 -0.134 -5.144 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.598 0.227 -3.261 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.904 0.407 -4.617 1.00 0.44 C ATOM 0 H TRP A 47 9.886 -3.543 1.229 1.00 0.26 H new ATOM 0 HA TRP A 47 7.820 -2.756 -0.629 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.878 -1.440 -0.258 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.869 -2.776 -0.810 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.538 -2.630 -3.253 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.627 -1.538 -5.410 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.222 -0.627 -1.381 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.320 0.003 -6.188 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.689 0.646 -2.856 1.00 0.42 H new ATOM 0 HH2 TRP A 47 6.232 0.963 -5.254 1.00 0.44 H new ATOM 771 N GLY A 48 9.734 -5.318 -1.499 1.00 0.29 N ATOM 772 CA GLY A 48 9.762 -6.463 -2.452 1.00 0.30 C ATOM 773 C GLY A 48 8.433 -7.215 -2.387 1.00 0.27 C ATOM 774 O GLY A 48 7.903 -7.649 -3.390 1.00 0.29 O ATOM 0 H GLY A 48 10.501 -5.291 -0.827 1.00 0.29 H new ATOM 0 HA2 GLY A 48 9.938 -6.102 -3.465 1.00 0.30 H new ATOM 0 HA3 GLY A 48 10.584 -7.135 -2.205 1.00 0.30 H new ATOM 778 N LEU A 49 7.900 -7.384 -1.210 1.00 0.25 N ATOM 779 CA LEU A 49 6.612 -8.121 -1.076 1.00 0.24 C ATOM 780 C LEU A 49 5.474 -7.300 -1.689 1.00 0.24 C ATOM 781 O LEU A 49 4.515 -7.846 -2.199 1.00 0.29 O ATOM 782 CB LEU A 49 6.319 -8.384 0.405 1.00 0.23 C ATOM 783 CG LEU A 49 7.423 -9.266 1.015 1.00 0.23 C ATOM 784 CD1 LEU A 49 7.364 -9.175 2.544 1.00 0.24 C ATOM 785 CD2 LEU A 49 7.224 -10.733 0.601 1.00 0.26 C ATOM 0 H LEU A 49 8.300 -7.044 -0.335 1.00 0.25 H new ATOM 0 HA LEU A 49 6.689 -9.072 -1.603 1.00 0.24 H new ATOM 0 HB2 LEU A 49 6.258 -7.439 0.945 1.00 0.23 H new ATOM 0 HB3 LEU A 49 5.351 -8.874 0.511 1.00 0.23 H new ATOM 0 HG LEU A 49 8.389 -8.915 0.653 1.00 0.23 H new ATOM 0 HD11 LEU A 49 8.146 -9.800 2.976 1.00 0.24 H new ATOM 0 HD12 LEU A 49 7.514 -8.140 2.853 1.00 0.24 H new ATOM 0 HD13 LEU A 49 6.390 -9.520 2.892 1.00 0.24 H new ATOM 0 HD21 LEU A 49 8.012 -11.345 1.040 1.00 0.26 H new ATOM 0 HD22 LEU A 49 6.254 -11.082 0.955 1.00 0.26 H new ATOM 0 HD23 LEU A 49 7.265 -10.813 -0.485 1.00 0.26 H new ATOM 797 N ILE A 50 5.562 -5.999 -1.651 1.00 0.24 N ATOM 798 CA ILE A 50 4.472 -5.171 -2.240 1.00 0.26 C ATOM 799 C ILE A 50 4.524 -5.275 -3.766 1.00 0.27 C ATOM 800 O ILE A 50 3.515 -5.176 -4.435 1.00 0.29 O ATOM 801 CB ILE A 50 4.639 -3.706 -1.810 1.00 0.28 C ATOM 802 CG1 ILE A 50 4.433 -3.581 -0.280 1.00 0.32 C ATOM 803 CG2 ILE A 50 3.628 -2.824 -2.560 1.00 0.32 C ATOM 804 CD1 ILE A 50 2.948 -3.403 0.068 1.00 0.73 C ATOM 0 H ILE A 50 6.336 -5.476 -1.241 1.00 0.24 H new ATOM 0 HA ILE A 50 3.508 -5.535 -1.885 1.00 0.26 H new ATOM 0 HB ILE A 50 5.646 -3.371 -2.056 1.00 0.28 H new ATOM 0 HG12 ILE A 50 4.821 -4.471 0.216 1.00 0.32 H new ATOM 0 HG13 ILE A 50 5.002 -2.732 0.098 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.751 -1.786 -2.251 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.800 -2.906 -3.633 1.00 0.32 H new ATOM 0 HG23 ILE A 50 2.615 -3.154 -2.328 1.00 0.32 H new ATOM 0 HD11 ILE A 50 2.835 -3.318 1.149 1.00 0.73 H new ATOM 0 HD12 ILE A 50 2.568 -2.499 -0.409 1.00 0.73 H new ATOM 0 HD13 ILE A 50 2.385 -4.265 -0.289 1.00 0.73 H new ATOM 816 N LYS A 51 5.687 -5.471 -4.331 1.00 0.28 N ATOM 817 CA LYS A 51 5.793 -5.579 -5.817 1.00 0.31 C ATOM 818 C LYS A 51 5.234 -6.929 -6.280 1.00 0.31 C ATOM 819 O LYS A 51 4.774 -7.070 -7.395 1.00 0.36 O ATOM 820 CB LYS A 51 7.277 -5.473 -6.212 1.00 0.37 C ATOM 821 CG LYS A 51 7.410 -5.039 -7.686 1.00 0.72 C ATOM 822 CD LYS A 51 7.346 -3.498 -7.802 1.00 0.79 C ATOM 823 CE LYS A 51 8.760 -2.899 -7.767 1.00 0.87 C ATOM 824 NZ LYS A 51 9.407 -3.209 -6.461 1.00 1.58 N ATOM 0 H LYS A 51 6.569 -5.561 -3.827 1.00 0.28 H new ATOM 0 HA LYS A 51 5.222 -4.779 -6.289 1.00 0.31 H new ATOM 0 HB2 LYS A 51 7.781 -4.753 -5.567 1.00 0.37 H new ATOM 0 HB3 LYS A 51 7.769 -6.434 -6.063 1.00 0.37 H new ATOM 0 HG2 LYS A 51 8.353 -5.402 -8.095 1.00 0.72 H new ATOM 0 HG3 LYS A 51 6.612 -5.488 -8.277 1.00 0.72 H new ATOM 0 HD2 LYS A 51 6.848 -3.217 -8.730 1.00 0.79 H new ATOM 0 HD3 LYS A 51 6.751 -3.090 -6.985 1.00 0.79 H new ATOM 0 HE2 LYS A 51 9.357 -3.304 -8.584 1.00 0.87 H new ATOM 0 HE3 LYS A 51 8.711 -1.820 -7.912 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 10.436 -3.082 -6.544 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 9.037 -2.569 -5.730 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 9.200 -4.193 -6.196 1.00 1.58 H new ATOM 838 N SER A 52 5.278 -7.923 -5.436 1.00 0.32 N ATOM 839 CA SER A 52 4.757 -9.261 -5.835 1.00 0.34 C ATOM 840 C SER A 52 3.336 -9.118 -6.386 1.00 0.35 C ATOM 841 O SER A 52 2.592 -8.239 -5.998 1.00 0.36 O ATOM 842 CB SER A 52 4.747 -10.190 -4.619 1.00 0.36 C ATOM 843 OG SER A 52 4.071 -11.394 -4.954 1.00 1.14 O ATOM 0 H SER A 52 5.652 -7.867 -4.489 1.00 0.32 H new ATOM 0 HA SER A 52 5.400 -9.683 -6.607 1.00 0.34 H new ATOM 0 HB2 SER A 52 5.768 -10.408 -4.305 1.00 0.36 H new ATOM 0 HB3 SER A 52 4.252 -9.703 -3.779 1.00 0.36 H new ATOM 0 HG SER A 52 4.064 -11.992 -4.178 1.00 1.14 H new ATOM 849 N THR A 53 2.959 -9.982 -7.290 1.00 0.38 N ATOM 850 CA THR A 53 1.590 -9.906 -7.876 1.00 0.41 C ATOM 851 C THR A 53 0.592 -10.610 -6.956 1.00 0.40 C ATOM 852 O THR A 53 -0.566 -10.247 -6.897 1.00 0.52 O ATOM 853 CB THR A 53 1.576 -10.580 -9.248 1.00 0.46 C ATOM 854 OG1 THR A 53 2.071 -11.905 -9.127 1.00 0.51 O ATOM 855 CG2 THR A 53 2.456 -9.788 -10.215 1.00 0.49 C ATOM 0 H THR A 53 3.542 -10.739 -7.648 1.00 0.38 H new ATOM 0 HA THR A 53 1.308 -8.859 -7.983 1.00 0.41 H new ATOM 0 HB THR A 53 0.556 -10.608 -9.631 1.00 0.46 H new ATOM 0 HG1 THR A 53 2.061 -12.339 -10.005 1.00 0.51 H new ATOM 0 HG21 THR A 53 2.446 -10.269 -11.193 1.00 0.49 H new ATOM 0 HG22 THR A 53 2.073 -8.772 -10.306 1.00 0.49 H new ATOM 0 HG23 THR A 53 3.478 -9.758 -9.836 1.00 0.49 H new ATOM 863 N ASP A 54 1.021 -11.606 -6.227 1.00 0.39 N ATOM 864 CA ASP A 54 0.072 -12.305 -5.314 1.00 0.38 C ATOM 865 C ASP A 54 -0.246 -11.381 -4.135 1.00 0.37 C ATOM 866 O ASP A 54 0.570 -10.597 -3.692 1.00 0.36 O ATOM 867 CB ASP A 54 0.667 -13.624 -4.818 1.00 0.38 C ATOM 868 CG ASP A 54 0.959 -14.541 -6.006 1.00 1.31 C ATOM 869 OD1 ASP A 54 1.282 -14.025 -7.063 1.00 1.86 O ATOM 870 OD2 ASP A 54 0.858 -15.745 -5.838 1.00 2.18 O ATOM 0 H ASP A 54 1.977 -11.962 -6.224 1.00 0.39 H new ATOM 0 HA ASP A 54 -0.845 -12.540 -5.854 1.00 0.38 H new ATOM 0 HB2 ASP A 54 1.584 -13.433 -4.261 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -0.027 -14.111 -4.133 1.00 0.38 H new ATOM 875 N VAL A 55 -1.452 -11.480 -3.639 1.00 0.37 N ATOM 876 CA VAL A 55 -1.889 -10.627 -2.499 1.00 0.37 C ATOM 877 C VAL A 55 -1.344 -11.191 -1.182 1.00 0.35 C ATOM 878 O VAL A 55 -1.277 -10.508 -0.180 1.00 0.35 O ATOM 879 CB VAL A 55 -3.426 -10.583 -2.468 1.00 0.39 C ATOM 880 CG1 VAL A 55 -3.987 -11.875 -1.864 1.00 0.42 C ATOM 881 CG2 VAL A 55 -3.889 -9.387 -1.632 1.00 0.40 C ATOM 0 H VAL A 55 -2.162 -12.127 -3.983 1.00 0.37 H new ATOM 0 HA VAL A 55 -1.501 -9.616 -2.625 1.00 0.37 H new ATOM 0 HB VAL A 55 -3.793 -10.483 -3.489 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -5.076 -11.827 -1.850 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -3.669 -12.726 -2.466 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -3.616 -11.992 -0.846 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -4.978 -9.358 -1.611 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -3.509 -9.485 -0.615 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -3.509 -8.466 -2.074 1.00 0.40 H new ATOM 891 N ASN A 56 -0.942 -12.429 -1.189 1.00 0.34 N ATOM 892 CA ASN A 56 -0.390 -13.043 0.049 1.00 0.34 C ATOM 893 C ASN A 56 0.856 -12.269 0.490 1.00 0.31 C ATOM 894 O ASN A 56 0.984 -11.867 1.633 1.00 0.31 O ATOM 895 CB ASN A 56 -0.013 -14.498 -0.240 1.00 0.36 C ATOM 896 CG ASN A 56 -1.194 -15.205 -0.910 1.00 1.34 C ATOM 897 OD1 ASN A 56 -1.007 -16.035 -1.778 1.00 2.14 O ATOM 898 ND2 ASN A 56 -2.411 -14.910 -0.542 1.00 2.11 N ATOM 0 H ASN A 56 -0.972 -13.045 -2.002 1.00 0.34 H new ATOM 0 HA ASN A 56 -1.136 -13.008 0.843 1.00 0.34 H new ATOM 0 HB2 ASN A 56 0.863 -14.537 -0.887 1.00 0.36 H new ATOM 0 HB3 ASN A 56 0.252 -15.008 0.686 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -3.204 -15.376 -0.983 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -2.569 -14.214 0.186 1.00 2.11 H new ATOM 905 N ASP A 57 1.776 -12.055 -0.408 1.00 0.30 N ATOM 906 CA ASP A 57 3.013 -11.311 -0.045 1.00 0.30 C ATOM 907 C ASP A 57 2.680 -9.836 0.200 1.00 0.29 C ATOM 908 O ASP A 57 3.139 -9.238 1.153 1.00 0.28 O ATOM 909 CB ASP A 57 4.024 -11.427 -1.191 1.00 0.33 C ATOM 910 CG ASP A 57 4.623 -12.836 -1.204 1.00 0.42 C ATOM 911 OD1 ASP A 57 5.264 -13.195 -0.230 1.00 1.09 O ATOM 912 OD2 ASP A 57 4.430 -13.531 -2.188 1.00 1.23 O ATOM 0 H ASP A 57 1.724 -12.364 -1.379 1.00 0.30 H new ATOM 0 HA ASP A 57 3.438 -11.735 0.865 1.00 0.30 H new ATOM 0 HB2 ASP A 57 3.536 -11.219 -2.143 1.00 0.33 H new ATOM 0 HB3 ASP A 57 4.814 -10.686 -1.070 1.00 0.33 H new ATOM 917 N GLU A 58 1.891 -9.242 -0.652 1.00 0.33 N ATOM 918 CA GLU A 58 1.541 -7.804 -0.467 1.00 0.36 C ATOM 919 C GLU A 58 0.951 -7.582 0.932 1.00 0.34 C ATOM 920 O GLU A 58 1.217 -6.585 1.573 1.00 0.34 O ATOM 921 CB GLU A 58 0.514 -7.391 -1.523 1.00 0.42 C ATOM 922 CG GLU A 58 1.121 -7.535 -2.920 1.00 0.92 C ATOM 923 CD GLU A 58 0.031 -7.322 -3.973 1.00 1.66 C ATOM 924 OE1 GLU A 58 -0.346 -6.181 -4.185 1.00 2.45 O ATOM 925 OE2 GLU A 58 -0.408 -8.303 -4.550 1.00 2.21 O ATOM 0 H GLU A 58 1.473 -9.689 -1.468 1.00 0.33 H new ATOM 0 HA GLU A 58 2.443 -7.201 -0.574 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -0.378 -8.012 -1.438 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.202 -6.360 -1.356 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.922 -6.808 -3.057 1.00 0.92 H new ATOM 0 HG3 GLU A 58 1.565 -8.524 -3.035 1.00 0.92 H new ATOM 932 N ARG A 59 0.151 -8.499 1.410 1.00 0.33 N ATOM 933 CA ARG A 59 -0.454 -8.331 2.767 1.00 0.34 C ATOM 934 C ARG A 59 0.633 -8.447 3.836 1.00 0.30 C ATOM 935 O ARG A 59 0.538 -7.856 4.893 1.00 0.31 O ATOM 936 CB ARG A 59 -1.500 -9.433 3.005 1.00 0.40 C ATOM 937 CG ARG A 59 -2.841 -9.034 2.385 1.00 0.68 C ATOM 938 CD ARG A 59 -3.743 -10.268 2.296 1.00 0.95 C ATOM 939 NE ARG A 59 -3.866 -10.887 3.648 1.00 1.62 N ATOM 940 CZ ARG A 59 -4.793 -11.778 3.877 1.00 2.13 C ATOM 941 NH1 ARG A 59 -5.607 -12.133 2.921 1.00 2.23 N ATOM 942 NH2 ARG A 59 -4.904 -12.315 5.062 1.00 3.12 N ATOM 0 H ARG A 59 -0.110 -9.356 0.922 1.00 0.33 H new ATOM 0 HA ARG A 59 -0.926 -7.350 2.825 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -1.155 -10.371 2.570 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -1.622 -9.603 4.075 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -3.319 -8.263 2.989 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -2.685 -8.611 1.393 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -4.727 -9.987 1.921 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -3.327 -10.987 1.591 1.00 0.95 H new ATOM 0 HE ARG A 59 -3.226 -10.614 4.394 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -5.519 -11.715 1.995 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -6.331 -12.829 3.100 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -4.267 -12.039 5.809 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -5.628 -13.011 5.241 1.00 3.12 H new ATOM 956 N LEU A 60 1.672 -9.184 3.570 1.00 0.28 N ATOM 957 CA LEU A 60 2.754 -9.304 4.581 1.00 0.27 C ATOM 958 C LEU A 60 3.502 -7.972 4.642 1.00 0.25 C ATOM 959 O LEU A 60 3.953 -7.545 5.687 1.00 0.26 O ATOM 960 CB LEU A 60 3.707 -10.437 4.180 1.00 0.29 C ATOM 961 CG LEU A 60 4.873 -10.544 5.176 1.00 0.30 C ATOM 962 CD1 LEU A 60 4.342 -10.786 6.599 1.00 0.32 C ATOM 963 CD2 LEU A 60 5.772 -11.712 4.759 1.00 0.34 C ATOM 0 H LEU A 60 1.818 -9.704 2.705 1.00 0.28 H new ATOM 0 HA LEU A 60 2.338 -9.536 5.562 1.00 0.27 H new ATOM 0 HB2 LEU A 60 3.163 -11.381 4.146 1.00 0.29 H new ATOM 0 HB3 LEU A 60 4.094 -10.256 3.177 1.00 0.29 H new ATOM 0 HG LEU A 60 5.439 -9.613 5.170 1.00 0.30 H new ATOM 0 HD11 LEU A 60 5.180 -10.859 7.292 1.00 0.32 H new ATOM 0 HD12 LEU A 60 3.699 -9.957 6.893 1.00 0.32 H new ATOM 0 HD13 LEU A 60 3.770 -11.714 6.621 1.00 0.32 H new ATOM 0 HD21 LEU A 60 6.604 -11.799 5.458 1.00 0.34 H new ATOM 0 HD22 LEU A 60 5.194 -12.636 4.766 1.00 0.34 H new ATOM 0 HD23 LEU A 60 6.159 -11.533 3.756 1.00 0.34 H new ATOM 975 N GLY A 61 3.638 -7.313 3.523 1.00 0.22 N ATOM 976 CA GLY A 61 4.357 -6.009 3.498 1.00 0.21 C ATOM 977 C GLY A 61 3.606 -4.972 4.341 1.00 0.20 C ATOM 978 O GLY A 61 4.205 -4.204 5.066 1.00 0.21 O ATOM 0 H GLY A 61 3.279 -7.625 2.620 1.00 0.22 H new ATOM 0 HA2 GLY A 61 5.369 -6.136 3.882 1.00 0.21 H new ATOM 0 HA3 GLY A 61 4.448 -5.656 2.471 1.00 0.21 H new ATOM 982 N VAL A 62 2.302 -4.932 4.250 1.00 0.20 N ATOM 983 CA VAL A 62 1.539 -3.928 5.049 1.00 0.21 C ATOM 984 C VAL A 62 1.760 -4.205 6.543 1.00 0.22 C ATOM 985 O VAL A 62 2.017 -3.304 7.317 1.00 0.25 O ATOM 986 CB VAL A 62 0.029 -4.006 4.675 1.00 0.23 C ATOM 987 CG1 VAL A 62 -0.871 -3.887 5.918 1.00 0.28 C ATOM 988 CG2 VAL A 62 -0.334 -2.868 3.708 1.00 0.31 C ATOM 0 H VAL A 62 1.737 -5.545 3.663 1.00 0.20 H new ATOM 0 HA VAL A 62 1.890 -2.920 4.828 1.00 0.21 H new ATOM 0 HB VAL A 62 -0.137 -4.976 4.207 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -1.917 -3.946 5.617 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -0.646 -4.699 6.609 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.688 -2.931 6.410 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -1.392 -2.931 3.452 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -0.132 -1.908 4.184 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.264 -2.956 2.801 1.00 0.31 H new ATOM 998 N LYS A 63 1.652 -5.437 6.953 1.00 0.24 N ATOM 999 CA LYS A 63 1.847 -5.758 8.394 1.00 0.28 C ATOM 1000 C LYS A 63 3.211 -5.235 8.853 1.00 0.26 C ATOM 1001 O LYS A 63 3.369 -4.782 9.970 1.00 0.29 O ATOM 1002 CB LYS A 63 1.781 -7.276 8.588 1.00 0.33 C ATOM 1003 CG LYS A 63 1.630 -7.603 10.080 1.00 0.47 C ATOM 1004 CD LYS A 63 2.009 -9.067 10.337 1.00 0.58 C ATOM 1005 CE LYS A 63 1.058 -9.996 9.577 1.00 1.60 C ATOM 1006 NZ LYS A 63 -0.353 -9.593 9.839 1.00 2.36 N ATOM 0 H LYS A 63 1.438 -6.234 6.354 1.00 0.24 H new ATOM 0 HA LYS A 63 1.064 -5.284 8.985 1.00 0.28 H new ATOM 0 HB2 LYS A 63 0.940 -7.687 8.029 1.00 0.33 H new ATOM 0 HB3 LYS A 63 2.684 -7.742 8.194 1.00 0.33 H new ATOM 0 HG2 LYS A 63 2.267 -6.945 10.671 1.00 0.47 H new ATOM 0 HG3 LYS A 63 0.603 -7.423 10.398 1.00 0.47 H new ATOM 0 HD2 LYS A 63 3.036 -9.246 10.020 1.00 0.58 H new ATOM 0 HD3 LYS A 63 1.963 -9.281 11.405 1.00 0.58 H new ATOM 0 HE2 LYS A 63 1.267 -9.951 8.508 1.00 1.60 H new ATOM 0 HE3 LYS A 63 1.216 -11.028 9.889 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 -0.992 -10.364 9.557 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 -0.475 -9.395 10.853 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 -0.578 -8.739 9.290 1.00 2.36 H new ATOM 1020 N ILE A 64 4.197 -5.289 7.999 1.00 0.25 N ATOM 1021 CA ILE A 64 5.549 -4.794 8.382 1.00 0.25 C ATOM 1022 C ILE A 64 5.557 -3.261 8.362 1.00 0.22 C ATOM 1023 O ILE A 64 6.039 -2.620 9.275 1.00 0.22 O ATOM 1024 CB ILE A 64 6.579 -5.333 7.379 1.00 0.28 C ATOM 1025 CG1 ILE A 64 6.763 -6.838 7.600 1.00 0.33 C ATOM 1026 CG2 ILE A 64 7.924 -4.625 7.573 1.00 0.32 C ATOM 1027 CD1 ILE A 64 7.484 -7.450 6.397 1.00 0.35 C ATOM 0 H ILE A 64 4.124 -5.656 7.050 1.00 0.25 H new ATOM 0 HA ILE A 64 5.800 -5.138 9.385 1.00 0.25 H new ATOM 0 HB ILE A 64 6.221 -5.148 6.366 1.00 0.28 H new ATOM 0 HG12 ILE A 64 7.338 -7.015 8.509 1.00 0.33 H new ATOM 0 HG13 ILE A 64 5.793 -7.317 7.738 1.00 0.33 H new ATOM 0 HG21 ILE A 64 8.647 -5.015 6.857 1.00 0.32 H new ATOM 0 HG22 ILE A 64 7.798 -3.554 7.415 1.00 0.32 H new ATOM 0 HG23 ILE A 64 8.285 -4.802 8.586 1.00 0.32 H new ATOM 0 HD11 ILE A 64 7.614 -8.520 6.557 1.00 0.35 H new ATOM 0 HD12 ILE A 64 6.892 -7.286 5.496 1.00 0.35 H new ATOM 0 HD13 ILE A 64 8.460 -6.980 6.280 1.00 0.35 H new ATOM 1039 N LEU A 65 5.027 -2.669 7.327 1.00 0.20 N ATOM 1040 CA LEU A 65 5.006 -1.181 7.245 1.00 0.19 C ATOM 1041 C LEU A 65 4.240 -0.603 8.437 1.00 0.19 C ATOM 1042 O LEU A 65 4.532 0.481 8.902 1.00 0.20 O ATOM 1043 CB LEU A 65 4.318 -0.741 5.945 1.00 0.22 C ATOM 1044 CG LEU A 65 5.217 -1.048 4.728 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.352 -1.160 3.469 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.239 0.080 4.523 1.00 0.42 C ATOM 0 H LEU A 65 4.607 -3.152 6.533 1.00 0.20 H new ATOM 0 HA LEU A 65 6.032 -0.814 7.259 1.00 0.19 H new ATOM 0 HB2 LEU A 65 3.364 -1.257 5.839 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.101 0.326 5.984 1.00 0.22 H new ATOM 0 HG LEU A 65 5.742 -1.986 4.910 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.987 -1.377 2.610 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.627 -1.964 3.596 1.00 0.69 H new ATOM 0 HD13 LEU A 65 3.826 -0.220 3.304 1.00 0.69 H new ATOM 0 HD21 LEU A 65 6.866 -0.149 3.662 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.714 1.019 4.350 1.00 0.42 H new ATOM 0 HD23 LEU A 65 6.863 0.172 5.412 1.00 0.42 H new ATOM 1058 N THR A 66 3.268 -1.313 8.944 1.00 0.21 N ATOM 1059 CA THR A 66 2.493 -0.798 10.107 1.00 0.25 C ATOM 1060 C THR A 66 3.268 -1.055 11.405 1.00 0.28 C ATOM 1061 O THR A 66 3.201 -0.286 12.343 1.00 0.31 O ATOM 1062 CB THR A 66 1.141 -1.528 10.164 1.00 0.29 C ATOM 1063 OG1 THR A 66 0.709 -1.818 8.843 1.00 0.43 O ATOM 1064 CG2 THR A 66 0.103 -0.645 10.855 1.00 0.36 C ATOM 0 H THR A 66 2.978 -2.229 8.601 1.00 0.21 H new ATOM 0 HA THR A 66 2.334 0.275 9.996 1.00 0.25 H new ATOM 0 HB THR A 66 1.255 -2.455 10.727 1.00 0.29 H new ATOM 0 HG1 THR A 66 1.077 -2.681 8.561 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.853 -1.168 10.892 1.00 0.36 H new ATOM 0 HG22 THR A 66 0.433 -0.421 11.869 1.00 0.36 H new ATOM 0 HG23 THR A 66 -0.013 0.284 10.297 1.00 0.36 H new ATOM 1072 N ASP A 67 4.019 -2.121 11.453 1.00 0.29 N ATOM 1073 CA ASP A 67 4.809 -2.416 12.678 1.00 0.34 C ATOM 1074 C ASP A 67 5.952 -1.407 12.774 1.00 0.32 C ATOM 1075 O ASP A 67 6.227 -0.858 13.823 1.00 0.35 O ATOM 1076 CB ASP A 67 5.376 -3.834 12.597 1.00 0.40 C ATOM 1077 CG ASP A 67 4.229 -4.846 12.630 1.00 1.30 C ATOM 1078 OD1 ASP A 67 3.272 -4.604 13.346 1.00 2.12 O ATOM 1079 OD2 ASP A 67 4.328 -5.847 11.939 1.00 1.94 O ATOM 0 H ASP A 67 4.119 -2.799 10.697 1.00 0.29 H new ATOM 0 HA ASP A 67 4.172 -2.342 13.560 1.00 0.34 H new ATOM 0 HB2 ASP A 67 5.954 -3.954 11.681 1.00 0.40 H new ATOM 0 HB3 ASP A 67 6.057 -4.013 13.429 1.00 0.40 H new ATOM 1084 N ILE A 68 6.615 -1.154 11.680 1.00 0.30 N ATOM 1085 CA ILE A 68 7.739 -0.176 11.688 1.00 0.29 C ATOM 1086 C ILE A 68 7.176 1.239 11.871 1.00 0.27 C ATOM 1087 O ILE A 68 7.817 2.106 12.429 1.00 0.31 O ATOM 1088 CB ILE A 68 8.499 -0.268 10.359 1.00 0.30 C ATOM 1089 CG1 ILE A 68 8.992 -1.707 10.157 1.00 0.34 C ATOM 1090 CG2 ILE A 68 9.698 0.686 10.385 1.00 0.33 C ATOM 1091 CD1 ILE A 68 9.524 -1.875 8.732 1.00 0.35 C ATOM 0 H ILE A 68 6.425 -1.585 10.775 1.00 0.30 H new ATOM 0 HA ILE A 68 8.421 -0.401 12.508 1.00 0.29 H new ATOM 0 HB ILE A 68 7.836 0.010 9.540 1.00 0.30 H new ATOM 0 HG12 ILE A 68 9.776 -1.937 10.878 1.00 0.34 H new ATOM 0 HG13 ILE A 68 8.178 -2.409 10.337 1.00 0.34 H new ATOM 0 HG21 ILE A 68 10.237 0.619 9.440 1.00 0.33 H new ATOM 0 HG22 ILE A 68 9.347 1.708 10.531 1.00 0.33 H new ATOM 0 HG23 ILE A 68 10.364 0.411 11.203 1.00 0.33 H new ATOM 0 HD11 ILE A 68 9.873 -2.898 8.592 1.00 0.35 H new ATOM 0 HD12 ILE A 68 8.727 -1.663 8.019 1.00 0.35 H new ATOM 0 HD13 ILE A 68 10.351 -1.184 8.568 1.00 0.35 H new ATOM 1103 N TYR A 69 5.975 1.469 11.413 1.00 0.26 N ATOM 1104 CA TYR A 69 5.358 2.819 11.566 1.00 0.26 C ATOM 1105 C TYR A 69 5.146 3.113 13.057 1.00 0.28 C ATOM 1106 O TYR A 69 5.447 4.187 13.539 1.00 0.34 O ATOM 1107 CB TYR A 69 4.010 2.848 10.833 1.00 0.29 C ATOM 1108 CG TYR A 69 3.214 4.071 11.240 1.00 0.27 C ATOM 1109 CD1 TYR A 69 2.444 4.040 12.408 1.00 1.22 C ATOM 1110 CD2 TYR A 69 3.243 5.229 10.452 1.00 1.25 C ATOM 1111 CE1 TYR A 69 1.703 5.164 12.791 1.00 1.23 C ATOM 1112 CE2 TYR A 69 2.500 6.355 10.835 1.00 1.28 C ATOM 1113 CZ TYR A 69 1.731 6.322 12.004 1.00 0.38 C ATOM 1114 OH TYR A 69 1.001 7.430 12.382 1.00 0.47 O ATOM 0 H TYR A 69 5.393 0.779 10.938 1.00 0.26 H new ATOM 0 HA TYR A 69 6.016 3.576 11.139 1.00 0.26 H new ATOM 0 HB2 TYR A 69 4.175 2.855 9.756 1.00 0.29 H new ATOM 0 HB3 TYR A 69 3.444 1.945 11.063 1.00 0.29 H new ATOM 0 HD1 TYR A 69 2.421 3.147 13.015 1.00 1.22 H new ATOM 0 HD2 TYR A 69 3.837 5.254 9.550 1.00 1.25 H new ATOM 0 HE1 TYR A 69 1.110 5.138 13.693 1.00 1.23 H new ATOM 0 HE2 TYR A 69 2.521 7.248 10.228 1.00 1.28 H new ATOM 0 HH TYR A 69 1.132 8.147 11.727 1.00 0.47 H new ATOM 1124 N LYS A 70 4.614 2.169 13.784 1.00 0.31 N ATOM 1125 CA LYS A 70 4.361 2.389 15.238 1.00 0.38 C ATOM 1126 C LYS A 70 5.671 2.358 16.028 1.00 0.38 C ATOM 1127 O LYS A 70 5.763 2.915 17.104 1.00 0.45 O ATOM 1128 CB LYS A 70 3.449 1.283 15.773 1.00 0.50 C ATOM 1129 CG LYS A 70 2.081 1.358 15.095 1.00 0.79 C ATOM 1130 CD LYS A 70 1.109 0.427 15.823 1.00 0.88 C ATOM 1131 CE LYS A 70 -0.208 0.352 15.051 1.00 1.50 C ATOM 1132 NZ LYS A 70 -1.229 -0.343 15.884 1.00 2.26 N ATOM 0 H LYS A 70 4.342 1.251 13.433 1.00 0.31 H new ATOM 0 HA LYS A 70 3.890 3.365 15.357 1.00 0.38 H new ATOM 0 HB2 LYS A 70 3.901 0.308 15.591 1.00 0.50 H new ATOM 0 HB3 LYS A 70 3.335 1.385 16.852 1.00 0.50 H new ATOM 0 HG2 LYS A 70 1.707 2.382 15.115 1.00 0.79 H new ATOM 0 HG3 LYS A 70 2.164 1.069 14.047 1.00 0.79 H new ATOM 0 HD2 LYS A 70 1.544 -0.568 15.916 1.00 0.88 H new ATOM 0 HD3 LYS A 70 0.929 0.792 16.834 1.00 0.88 H new ATOM 0 HE2 LYS A 70 -0.551 1.355 14.797 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -0.063 -0.183 14.112 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -2.126 -0.396 15.361 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -0.900 -1.305 16.105 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 -1.374 0.185 16.768 1.00 2.26 H new ATOM 1146 N GLU A 71 6.680 1.695 15.523 1.00 0.40 N ATOM 1147 CA GLU A 71 7.976 1.609 16.270 1.00 0.52 C ATOM 1148 C GLU A 71 8.973 2.648 15.746 1.00 0.55 C ATOM 1149 O GLU A 71 9.835 3.102 16.472 1.00 1.13 O ATOM 1150 CB GLU A 71 8.560 0.202 16.086 1.00 0.63 C ATOM 1151 CG GLU A 71 9.620 -0.061 17.160 1.00 0.99 C ATOM 1152 CD GLU A 71 10.269 -1.425 16.917 1.00 1.55 C ATOM 1153 OE1 GLU A 71 9.616 -2.274 16.334 1.00 2.27 O ATOM 1154 OE2 GLU A 71 11.407 -1.597 17.320 1.00 2.13 O ATOM 0 H GLU A 71 6.665 1.209 14.626 1.00 0.40 H new ATOM 0 HA GLU A 71 7.793 1.809 17.326 1.00 0.52 H new ATOM 0 HB2 GLU A 71 7.767 -0.543 16.154 1.00 0.63 H new ATOM 0 HB3 GLU A 71 9.002 0.108 15.094 1.00 0.63 H new ATOM 0 HG2 GLU A 71 10.377 0.723 17.137 1.00 0.99 H new ATOM 0 HG3 GLU A 71 9.164 -0.035 18.150 1.00 0.99 H new ATOM 1161 N ALA A 72 8.873 3.018 14.491 1.00 0.59 N ATOM 1162 CA ALA A 72 9.828 4.022 13.909 1.00 0.57 C ATOM 1163 C ALA A 72 9.065 5.275 13.469 1.00 0.65 C ATOM 1164 O ALA A 72 8.591 5.366 12.355 1.00 1.23 O ATOM 1165 CB ALA A 72 10.527 3.400 12.698 1.00 0.60 C ATOM 0 H ALA A 72 8.169 2.668 13.841 1.00 0.59 H new ATOM 0 HA ALA A 72 10.565 4.301 14.662 1.00 0.57 H new ATOM 0 HB1 ALA A 72 11.222 4.122 12.269 1.00 0.60 H new ATOM 0 HB2 ALA A 72 11.074 2.511 13.011 1.00 0.60 H new ATOM 0 HB3 ALA A 72 9.783 3.124 11.951 1.00 0.60 H new ATOM 1171 N GLU A 73 8.937 6.240 14.343 1.00 0.71 N ATOM 1172 CA GLU A 73 8.199 7.484 13.983 1.00 0.77 C ATOM 1173 C GLU A 73 8.789 8.092 12.712 1.00 0.65 C ATOM 1174 O GLU A 73 8.460 7.670 11.640 1.00 1.06 O ATOM 1175 CB GLU A 73 8.296 8.491 15.128 1.00 1.08 C ATOM 1176 CG GLU A 73 7.429 8.015 16.294 1.00 1.79 C ATOM 1177 CD GLU A 73 7.962 6.679 16.813 1.00 2.15 C ATOM 1178 OE1 GLU A 73 9.125 6.630 17.179 1.00 2.60 O ATOM 1179 OE2 GLU A 73 7.200 5.726 16.834 1.00 2.62 O ATOM 0 H GLU A 73 9.313 6.219 15.291 1.00 0.71 H new ATOM 0 HA GLU A 73 7.152 7.237 13.807 1.00 0.77 H new ATOM 0 HB2 GLU A 73 9.332 8.595 15.449 1.00 1.08 H new ATOM 0 HB3 GLU A 73 7.966 9.474 14.792 1.00 1.08 H new ATOM 0 HG2 GLU A 73 7.436 8.757 17.093 1.00 1.79 H new ATOM 0 HG3 GLU A 73 6.394 7.905 15.970 1.00 1.79 H new ATOM 1186 N SER A 74 9.642 9.088 12.842 1.00 0.75 N ATOM 1187 CA SER A 74 10.273 9.774 11.649 1.00 0.62 C ATOM 1188 C SER A 74 10.145 8.944 10.362 1.00 0.55 C ATOM 1189 O SER A 74 9.640 9.412 9.361 1.00 0.63 O ATOM 1190 CB SER A 74 11.755 10.013 11.937 1.00 0.82 C ATOM 1191 OG SER A 74 12.377 10.548 10.776 1.00 1.55 O ATOM 0 H SER A 74 9.936 9.465 13.743 1.00 0.75 H new ATOM 0 HA SER A 74 9.745 10.715 11.493 1.00 0.62 H new ATOM 0 HB2 SER A 74 11.868 10.701 12.775 1.00 0.82 H new ATOM 0 HB3 SER A 74 12.237 9.079 12.224 1.00 0.82 H new ATOM 0 HG SER A 74 13.327 10.704 10.957 1.00 1.55 H new ATOM 1197 N ARG A 75 10.591 7.718 10.382 1.00 0.48 N ATOM 1198 CA ARG A 75 10.489 6.859 9.163 1.00 0.45 C ATOM 1199 C ARG A 75 9.010 6.668 8.792 1.00 0.42 C ATOM 1200 O ARG A 75 8.677 5.930 7.886 1.00 0.50 O ATOM 1201 CB ARG A 75 11.132 5.492 9.462 1.00 0.52 C ATOM 1202 CG ARG A 75 12.659 5.558 9.253 1.00 0.81 C ATOM 1203 CD ARG A 75 13.002 5.256 7.789 1.00 1.10 C ATOM 1204 NE ARG A 75 14.411 5.655 7.514 1.00 1.49 N ATOM 1205 CZ ARG A 75 15.013 5.221 6.440 1.00 2.08 C ATOM 1206 NH1 ARG A 75 14.383 4.434 5.612 1.00 2.63 N ATOM 1207 NH2 ARG A 75 16.246 5.573 6.196 1.00 2.72 N ATOM 0 H ARG A 75 11.023 7.271 11.191 1.00 0.48 H new ATOM 0 HA ARG A 75 11.006 7.334 8.329 1.00 0.45 H new ATOM 0 HB2 ARG A 75 10.912 5.196 10.488 1.00 0.52 H new ATOM 0 HB3 ARG A 75 10.702 4.731 8.811 1.00 0.52 H new ATOM 0 HG2 ARG A 75 13.029 6.546 9.525 1.00 0.81 H new ATOM 0 HG3 ARG A 75 13.155 4.841 9.907 1.00 0.81 H new ATOM 0 HD2 ARG A 75 12.868 4.194 7.585 1.00 1.10 H new ATOM 0 HD3 ARG A 75 12.325 5.796 7.127 1.00 1.10 H new ATOM 0 HE ARG A 75 14.905 6.267 8.164 1.00 1.49 H new ATOM 0 HH11 ARG A 75 13.420 4.158 5.804 1.00 2.63 H new ATOM 0 HH12 ARG A 75 14.853 4.095 4.773 1.00 2.63 H new ATOM 0 HH21 ARG A 75 16.739 6.187 6.844 1.00 2.72 H new ATOM 0 HH22 ARG A 75 16.717 5.234 5.357 1.00 2.72 H new ATOM 1221 N ARG A 76 8.127 7.318 9.493 1.00 0.41 N ATOM 1222 CA ARG A 76 6.676 7.178 9.209 1.00 0.47 C ATOM 1223 C ARG A 76 6.344 7.898 7.903 1.00 0.43 C ATOM 1224 O ARG A 76 5.467 7.494 7.165 1.00 0.45 O ATOM 1225 CB ARG A 76 5.871 7.792 10.363 1.00 0.57 C ATOM 1226 CG ARG A 76 6.225 9.275 10.515 1.00 1.08 C ATOM 1227 CD ARG A 76 5.667 9.803 11.841 1.00 1.14 C ATOM 1228 NE ARG A 76 5.963 11.260 11.961 1.00 1.76 N ATOM 1229 CZ ARG A 76 5.347 11.983 12.859 1.00 2.01 C ATOM 1230 NH1 ARG A 76 4.478 11.429 13.661 1.00 1.55 N ATOM 1231 NH2 ARG A 76 5.602 13.259 12.957 1.00 3.05 N ATOM 0 H ARG A 76 8.353 7.949 10.262 1.00 0.41 H new ATOM 0 HA ARG A 76 6.419 6.123 9.113 1.00 0.47 H new ATOM 0 HB2 ARG A 76 4.804 7.682 10.172 1.00 0.57 H new ATOM 0 HB3 ARG A 76 6.086 7.261 11.290 1.00 0.57 H new ATOM 0 HG2 ARG A 76 7.307 9.406 10.486 1.00 1.08 H new ATOM 0 HG3 ARG A 76 5.813 9.845 9.682 1.00 1.08 H new ATOM 0 HD2 ARG A 76 4.591 9.635 11.888 1.00 1.14 H new ATOM 0 HD3 ARG A 76 6.111 9.261 12.676 1.00 1.14 H new ATOM 0 HE ARG A 76 6.647 11.693 11.341 1.00 1.76 H new ATOM 0 HH11 ARG A 76 4.279 10.431 13.587 1.00 1.55 H new ATOM 0 HH12 ARG A 76 3.998 11.994 14.361 1.00 1.55 H new ATOM 0 HH21 ARG A 76 6.282 13.693 12.333 1.00 3.05 H new ATOM 0 HH22 ARG A 76 5.121 13.823 13.658 1.00 3.05 H new ATOM 1245 N ARG A 77 7.033 8.967 7.617 1.00 0.40 N ATOM 1246 CA ARG A 77 6.756 9.721 6.363 1.00 0.43 C ATOM 1247 C ARG A 77 6.804 8.762 5.171 1.00 0.39 C ATOM 1248 O ARG A 77 5.908 8.734 4.349 1.00 0.39 O ATOM 1249 CB ARG A 77 7.818 10.812 6.192 1.00 0.48 C ATOM 1250 CG ARG A 77 7.553 11.956 7.186 1.00 1.10 C ATOM 1251 CD ARG A 77 8.841 12.755 7.416 1.00 1.24 C ATOM 1252 NE ARG A 77 9.579 12.890 6.128 1.00 1.80 N ATOM 1253 CZ ARG A 77 10.547 13.759 6.019 1.00 2.30 C ATOM 1254 NH1 ARG A 77 10.867 14.511 7.037 1.00 2.43 N ATOM 1255 NH2 ARG A 77 11.196 13.875 4.893 1.00 3.22 N ATOM 0 H ARG A 77 7.777 9.352 8.199 1.00 0.40 H new ATOM 0 HA ARG A 77 5.768 10.178 6.415 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.811 10.395 6.359 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.800 11.193 5.171 1.00 0.48 H new ATOM 0 HG2 ARG A 77 6.772 12.611 6.800 1.00 1.10 H new ATOM 0 HG3 ARG A 77 7.192 11.552 8.132 1.00 1.10 H new ATOM 0 HD2 ARG A 77 8.604 13.741 7.816 1.00 1.24 H new ATOM 0 HD3 ARG A 77 9.466 12.253 8.155 1.00 1.24 H new ATOM 0 HE ARG A 77 9.328 12.304 5.332 1.00 1.80 H new ATOM 0 HH11 ARG A 77 10.361 14.420 7.918 1.00 2.43 H new ATOM 0 HH12 ARG A 77 11.623 15.190 6.952 1.00 2.43 H new ATOM 0 HH21 ARG A 77 10.947 13.287 4.098 1.00 3.22 H new ATOM 0 HH22 ARG A 77 11.952 14.554 4.808 1.00 3.22 H new ATOM 1269 N GLU A 78 7.838 7.975 5.068 1.00 0.36 N ATOM 1270 CA GLU A 78 7.935 7.021 3.928 1.00 0.36 C ATOM 1271 C GLU A 78 6.859 5.940 4.069 1.00 0.30 C ATOM 1272 O GLU A 78 6.358 5.420 3.092 1.00 0.32 O ATOM 1273 CB GLU A 78 9.321 6.372 3.928 1.00 0.40 C ATOM 1274 CG GLU A 78 9.479 5.498 2.682 1.00 0.91 C ATOM 1275 CD GLU A 78 10.916 4.981 2.601 1.00 1.56 C ATOM 1276 OE1 GLU A 78 11.455 4.622 3.635 1.00 2.13 O ATOM 1277 OE2 GLU A 78 11.453 4.952 1.506 1.00 2.33 O ATOM 0 H GLU A 78 8.620 7.951 5.723 1.00 0.36 H new ATOM 0 HA GLU A 78 7.784 7.556 2.990 1.00 0.36 H new ATOM 0 HB2 GLU A 78 10.094 7.141 3.946 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.451 5.769 4.826 1.00 0.40 H new ATOM 0 HG2 GLU A 78 8.782 4.661 2.721 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.237 6.073 1.788 1.00 0.91 H new ATOM 1284 N CYS A 79 6.506 5.591 5.277 1.00 0.27 N ATOM 1285 CA CYS A 79 5.468 4.538 5.475 1.00 0.25 C ATOM 1286 C CYS A 79 4.096 5.073 5.058 1.00 0.23 C ATOM 1287 O CYS A 79 3.330 4.394 4.403 1.00 0.24 O ATOM 1288 CB CYS A 79 5.424 4.131 6.949 1.00 0.29 C ATOM 1289 SG CYS A 79 7.060 3.556 7.468 1.00 1.19 S ATOM 0 H CYS A 79 6.891 5.989 6.134 1.00 0.27 H new ATOM 0 HA CYS A 79 5.720 3.672 4.863 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.114 4.977 7.562 1.00 0.29 H new ATOM 0 HB3 CYS A 79 4.686 3.343 7.097 1.00 0.29 H new ATOM 0 HG CYS A 79 7.738 4.554 7.952 1.00 1.19 H new ATOM 1295 N LEU A 80 3.772 6.281 5.435 1.00 0.23 N ATOM 1296 CA LEU A 80 2.443 6.843 5.059 1.00 0.23 C ATOM 1297 C LEU A 80 2.262 6.758 3.542 1.00 0.21 C ATOM 1298 O LEU A 80 1.207 6.405 3.053 1.00 0.21 O ATOM 1299 CB LEU A 80 2.352 8.308 5.506 1.00 0.26 C ATOM 1300 CG LEU A 80 2.299 8.394 7.042 1.00 0.27 C ATOM 1301 CD1 LEU A 80 2.580 9.834 7.481 1.00 0.34 C ATOM 1302 CD2 LEU A 80 0.911 7.980 7.557 1.00 0.42 C ATOM 0 H LEU A 80 4.367 6.900 5.985 1.00 0.23 H new ATOM 0 HA LEU A 80 1.658 6.269 5.552 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.213 8.863 5.133 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.463 8.772 5.078 1.00 0.26 H new ATOM 0 HG LEU A 80 3.050 7.720 7.454 1.00 0.27 H new ATOM 0 HD11 LEU A 80 2.543 9.897 8.569 1.00 0.34 H new ATOM 0 HD12 LEU A 80 3.569 10.134 7.134 1.00 0.34 H new ATOM 0 HD13 LEU A 80 1.829 10.498 7.053 1.00 0.34 H new ATOM 0 HD21 LEU A 80 0.892 8.047 8.645 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.155 8.645 7.139 1.00 0.42 H new ATOM 0 HD23 LEU A 80 0.701 6.955 7.253 1.00 0.42 H new ATOM 1314 N TYR A 81 3.279 7.080 2.791 1.00 0.22 N ATOM 1315 CA TYR A 81 3.155 7.015 1.307 1.00 0.23 C ATOM 1316 C TYR A 81 3.071 5.550 0.860 1.00 0.22 C ATOM 1317 O TYR A 81 2.239 5.184 0.054 1.00 0.22 O ATOM 1318 CB TYR A 81 4.377 7.682 0.669 1.00 0.26 C ATOM 1319 CG TYR A 81 4.151 7.847 -0.816 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.389 8.921 -1.291 1.00 1.26 C ATOM 1321 CD2 TYR A 81 4.706 6.930 -1.718 1.00 1.05 C ATOM 1322 CE1 TYR A 81 3.180 9.078 -2.667 1.00 1.31 C ATOM 1323 CE2 TYR A 81 4.497 7.087 -3.094 1.00 1.04 C ATOM 1324 CZ TYR A 81 3.734 8.161 -3.568 1.00 0.46 C ATOM 1325 OH TYR A 81 3.529 8.316 -4.924 1.00 0.55 O ATOM 0 H TYR A 81 4.188 7.384 3.139 1.00 0.22 H new ATOM 0 HA TYR A 81 2.251 7.536 0.992 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.555 8.654 1.130 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.267 7.078 0.846 1.00 0.26 H new ATOM 0 HD1 TYR A 81 2.962 9.629 -0.596 1.00 1.26 H new ATOM 0 HD2 TYR A 81 5.295 6.102 -1.352 1.00 1.05 H new ATOM 0 HE1 TYR A 81 2.592 9.906 -3.033 1.00 1.31 H new ATOM 0 HE2 TYR A 81 4.924 6.380 -3.789 1.00 1.04 H new ATOM 0 HH TYR A 81 3.983 7.595 -5.408 1.00 0.55 H new ATOM 1335 N TYR A 82 3.934 4.714 1.370 1.00 0.23 N ATOM 1336 CA TYR A 82 3.917 3.272 0.972 1.00 0.23 C ATOM 1337 C TYR A 82 2.630 2.598 1.468 1.00 0.22 C ATOM 1338 O TYR A 82 2.063 1.764 0.789 1.00 0.24 O ATOM 1339 CB TYR A 82 5.127 2.553 1.597 1.00 0.25 C ATOM 1340 CG TYR A 82 6.375 2.770 0.760 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.769 4.066 0.400 1.00 1.13 C ATOM 1342 CD2 TYR A 82 7.149 1.671 0.356 1.00 1.30 C ATOM 1343 CE1 TYR A 82 7.926 4.262 -0.362 1.00 1.12 C ATOM 1344 CE2 TYR A 82 8.307 1.869 -0.404 1.00 1.33 C ATOM 1345 CZ TYR A 82 8.695 3.164 -0.764 1.00 0.31 C ATOM 1346 OH TYR A 82 9.838 3.360 -1.511 1.00 0.36 O ATOM 0 H TYR A 82 4.654 4.966 2.048 1.00 0.23 H new ATOM 0 HA TYR A 82 3.962 3.209 -0.115 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.293 2.924 2.609 1.00 0.25 H new ATOM 0 HB3 TYR A 82 4.919 1.486 1.679 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.178 4.915 0.711 1.00 1.13 H new ATOM 0 HD2 TYR A 82 6.850 0.671 0.632 1.00 1.30 H new ATOM 0 HE1 TYR A 82 8.226 5.262 -0.640 1.00 1.12 H new ATOM 0 HE2 TYR A 82 8.901 1.022 -0.713 1.00 1.33 H new ATOM 0 HH TYR A 82 10.254 2.494 -1.705 1.00 0.36 H new ATOM 1356 N LEU A 83 2.150 2.954 2.630 1.00 0.21 N ATOM 1357 CA LEU A 83 0.897 2.327 3.129 1.00 0.20 C ATOM 1358 C LEU A 83 -0.241 2.707 2.190 1.00 0.20 C ATOM 1359 O LEU A 83 -1.121 1.915 1.921 1.00 0.25 O ATOM 1360 CB LEU A 83 0.595 2.825 4.548 1.00 0.20 C ATOM 1361 CG LEU A 83 1.560 2.169 5.558 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.635 3.025 6.826 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.067 0.764 5.940 1.00 0.25 C ATOM 0 H LEU A 83 2.570 3.647 3.250 1.00 0.21 H new ATOM 0 HA LEU A 83 1.007 1.243 3.158 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.695 3.910 4.590 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.436 2.589 4.813 1.00 0.20 H new ATOM 0 HG LEU A 83 2.544 2.092 5.095 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.317 2.561 7.539 1.00 0.24 H new ATOM 0 HD12 LEU A 83 1.998 4.021 6.572 1.00 0.24 H new ATOM 0 HD13 LEU A 83 0.643 3.104 7.271 1.00 0.24 H new ATOM 0 HD21 LEU A 83 1.760 0.317 6.653 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.078 0.836 6.392 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.014 0.142 5.047 1.00 0.25 H new ATOM 1375 N THR A 84 -0.227 3.903 1.666 1.00 0.19 N ATOM 1376 CA THR A 84 -1.304 4.318 0.726 1.00 0.19 C ATOM 1377 C THR A 84 -1.280 3.403 -0.497 1.00 0.22 C ATOM 1378 O THR A 84 -2.305 2.959 -0.974 1.00 0.24 O ATOM 1379 CB THR A 84 -1.040 5.767 0.290 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.952 6.594 1.442 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.173 6.269 -0.609 1.00 0.18 C ATOM 0 H THR A 84 0.485 4.610 1.849 1.00 0.19 H new ATOM 0 HA THR A 84 -2.278 4.248 1.210 1.00 0.19 H new ATOM 0 HB THR A 84 -0.105 5.804 -0.268 1.00 0.20 H new ATOM 0 HG1 THR A 84 -0.082 6.463 1.873 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.971 7.297 -0.909 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.240 5.639 -1.496 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.116 6.229 -0.063 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.115 3.126 -1.014 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.023 2.249 -2.212 1.00 0.27 C ATOM 1391 C ILE A 85 -0.358 0.809 -1.832 1.00 0.29 C ATOM 1392 O ILE A 85 -1.186 0.168 -2.449 1.00 0.31 O ATOM 1393 CB ILE A 85 1.400 2.304 -2.778 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.662 3.723 -3.307 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.551 1.256 -3.904 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.118 3.860 -3.763 1.00 0.61 C ATOM 0 H ILE A 85 0.777 3.470 -0.658 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.732 2.597 -2.963 1.00 0.27 H new ATOM 0 HB ILE A 85 2.129 2.073 -2.001 1.00 0.29 H new ATOM 0 HG12 ILE A 85 0.991 3.938 -4.139 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.447 4.454 -2.528 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.564 1.297 -4.305 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.359 0.261 -3.503 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.837 1.471 -4.699 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.289 4.870 -4.135 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.783 3.666 -2.921 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.320 3.142 -4.558 1.00 0.61 H new ATOM 1408 N GLY A 86 0.277 0.297 -0.820 1.00 0.30 N ATOM 1409 CA GLY A 86 -0.006 -1.098 -0.405 1.00 0.33 C ATOM 1410 C GLY A 86 -1.476 -1.217 -0.013 1.00 0.33 C ATOM 1411 O GLY A 86 -2.157 -2.138 -0.407 1.00 0.39 O ATOM 0 H GLY A 86 0.979 0.784 -0.263 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.222 -1.786 -1.219 1.00 0.33 H new ATOM 0 HA3 GLY A 86 0.630 -1.376 0.435 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.972 -0.293 0.761 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.393 -0.368 1.184 1.00 0.30 C ATOM 1417 C CYS A 87 -4.320 -0.158 -0.018 1.00 0.35 C ATOM 1418 O CYS A 87 -5.397 -0.718 -0.080 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.664 0.705 2.238 1.00 0.29 C ATOM 1420 SG CYS A 87 -2.612 0.407 3.681 1.00 1.29 S ATOM 0 H CYS A 87 -1.453 0.510 1.118 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.587 -1.355 1.605 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.464 1.694 1.826 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.714 0.687 2.530 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.442 0.937 3.482 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.933 0.657 -0.965 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.819 0.908 -2.138 1.00 0.40 C ATOM 1428 C TYR A 88 -4.960 -0.353 -2.999 1.00 0.43 C ATOM 1429 O TYR A 88 -6.050 -0.729 -3.383 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.223 2.036 -2.989 1.00 0.46 C ATOM 1431 CG TYR A 88 -5.032 2.199 -4.257 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -6.275 2.843 -4.217 1.00 1.24 C ATOM 1433 CD2 TYR A 88 -4.543 1.699 -5.472 1.00 1.37 C ATOM 1434 CE1 TYR A 88 -7.027 2.988 -5.389 1.00 1.28 C ATOM 1435 CE2 TYR A 88 -5.296 1.845 -6.643 1.00 1.37 C ATOM 1436 CZ TYR A 88 -6.538 2.489 -6.601 1.00 0.59 C ATOM 1437 OH TYR A 88 -7.280 2.633 -7.756 1.00 0.66 O ATOM 0 H TYR A 88 -3.044 1.158 -0.976 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.806 1.191 -1.772 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -4.221 2.969 -2.425 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.185 1.810 -3.235 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -6.654 3.228 -3.282 1.00 1.24 H new ATOM 0 HD2 TYR A 88 -3.585 1.201 -5.505 1.00 1.37 H new ATOM 0 HE1 TYR A 88 -7.985 3.485 -5.357 1.00 1.28 H new ATOM 0 HE2 TYR A 88 -4.919 1.461 -7.579 1.00 1.37 H new ATOM 0 HH TYR A 88 -6.796 2.232 -8.508 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.875 -0.997 -3.326 1.00 0.43 N ATOM 1448 CA LYS A 89 -3.964 -2.213 -4.184 1.00 0.51 C ATOM 1449 C LYS A 89 -4.434 -3.412 -3.360 1.00 0.36 C ATOM 1450 O LYS A 89 -4.901 -4.397 -3.896 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.583 -2.515 -4.770 1.00 0.70 C ATOM 1452 CG LYS A 89 -2.701 -3.611 -5.831 1.00 1.00 C ATOM 1453 CD LYS A 89 -1.338 -3.826 -6.493 1.00 1.24 C ATOM 1454 CE LYS A 89 -1.423 -5.000 -7.469 1.00 1.56 C ATOM 1455 NZ LYS A 89 -0.151 -5.097 -8.241 1.00 2.05 N ATOM 0 H LYS A 89 -2.932 -0.736 -3.038 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.681 -2.031 -4.985 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.159 -1.613 -5.211 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -1.903 -2.833 -3.979 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -3.046 -4.539 -5.375 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -3.441 -3.329 -6.580 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -1.032 -2.923 -7.020 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -0.581 -4.024 -5.734 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -1.602 -5.927 -6.925 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -2.264 -4.862 -8.149 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -0.208 -5.895 -8.905 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 0.001 -4.216 -8.771 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 0.642 -5.248 -7.586 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.275 -3.361 -2.068 1.00 0.32 N ATOM 1470 CA LEU A 90 -4.670 -4.519 -1.223 1.00 0.47 C ATOM 1471 C LEU A 90 -6.171 -4.542 -0.921 1.00 0.56 C ATOM 1472 O LEU A 90 -6.675 -5.581 -0.541 1.00 0.89 O ATOM 1473 CB LEU A 90 -3.908 -4.451 0.112 1.00 0.55 C ATOM 1474 CG LEU A 90 -2.467 -4.944 -0.076 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -1.670 -4.655 1.200 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -2.450 -6.459 -0.376 1.00 0.56 C ATOM 0 H LEU A 90 -3.888 -2.566 -1.560 1.00 0.32 H new ATOM 0 HA LEU A 90 -4.424 -5.424 -1.779 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -3.904 -3.427 0.485 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -4.414 -5.061 0.860 1.00 0.55 H new ATOM 0 HG LEU A 90 -2.015 -4.422 -0.920 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -0.644 -5.002 1.075 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -1.669 -3.582 1.393 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -2.129 -5.175 2.041 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -1.421 -6.793 -0.507 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -2.904 -7.000 0.455 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -3.014 -6.656 -1.288 1.00 0.56 H new ATOM 1488 N GLY A 91 -6.900 -3.435 -1.010 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.361 -3.508 -0.624 1.00 0.91 C ATOM 1490 C GLY A 91 -8.653 -2.589 0.562 1.00 0.69 C ATOM 1491 O GLY A 91 -9.795 -2.277 0.837 1.00 0.69 O ATOM 0 H GLY A 91 -6.563 -2.523 -1.319 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.981 -3.222 -1.473 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -8.624 -4.534 -0.368 1.00 0.91 H new ATOM 1495 N GLU A 92 -7.651 -2.148 1.273 1.00 0.54 N ATOM 1496 CA GLU A 92 -7.902 -1.246 2.443 1.00 0.42 C ATOM 1497 C GLU A 92 -7.814 0.229 2.015 1.00 0.34 C ATOM 1498 O GLU A 92 -7.013 0.979 2.532 1.00 0.39 O ATOM 1499 CB GLU A 92 -6.834 -1.520 3.508 1.00 0.44 C ATOM 1500 CG GLU A 92 -6.983 -2.952 4.049 1.00 0.55 C ATOM 1501 CD GLU A 92 -8.032 -2.987 5.166 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -9.091 -2.411 4.978 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -7.757 -3.588 6.190 1.00 2.06 O ATOM 0 H GLU A 92 -6.671 -2.370 1.098 1.00 0.54 H new ATOM 0 HA GLU A 92 -8.900 -1.439 2.837 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -5.840 -1.386 3.081 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -6.930 -0.803 4.323 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -7.276 -3.625 3.243 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.025 -3.307 4.428 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.613 0.652 1.068 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.521 2.079 0.631 1.00 0.31 C ATOM 1512 C TYR A 93 -8.962 3.004 1.773 1.00 0.25 C ATOM 1513 O TYR A 93 -8.642 4.176 1.782 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.388 2.346 -0.618 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.684 1.058 -1.342 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -10.748 0.252 -0.923 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -8.907 0.678 -2.442 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -11.037 -0.935 -1.604 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -9.194 -0.512 -3.122 1.00 1.35 C ATOM 1520 CZ TYR A 93 -10.259 -1.318 -2.703 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.544 -2.488 -3.375 1.00 1.19 O ATOM 0 H TYR A 93 -9.311 0.085 0.587 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.482 2.283 0.372 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.321 2.827 -0.324 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -8.871 3.035 -1.286 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -11.346 0.546 -0.073 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -8.087 1.302 -2.766 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -11.860 -1.556 -1.282 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -8.594 -0.808 -3.970 1.00 1.35 H new ATOM 0 HH TYR A 93 -9.909 -2.604 -4.113 1.00 1.19 H new ATOM 1531 N SER A 94 -9.681 2.504 2.740 1.00 0.24 N ATOM 1532 CA SER A 94 -10.115 3.383 3.863 1.00 0.28 C ATOM 1533 C SER A 94 -8.887 3.921 4.589 1.00 0.29 C ATOM 1534 O SER A 94 -8.771 5.104 4.847 1.00 0.39 O ATOM 1535 CB SER A 94 -10.969 2.574 4.842 1.00 0.30 C ATOM 1536 OG SER A 94 -10.142 1.638 5.522 1.00 1.12 O ATOM 0 H SER A 94 -9.985 1.532 2.802 1.00 0.24 H new ATOM 0 HA SER A 94 -10.700 4.214 3.469 1.00 0.28 H new ATOM 0 HB2 SER A 94 -11.451 3.239 5.559 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.763 2.054 4.306 1.00 0.30 H new ATOM 0 HG SER A 94 -10.685 1.119 6.151 1.00 1.12 H new ATOM 1542 N MET A 95 -7.969 3.061 4.923 1.00 0.27 N ATOM 1543 CA MET A 95 -6.751 3.520 5.636 1.00 0.36 C ATOM 1544 C MET A 95 -5.860 4.301 4.672 1.00 0.26 C ATOM 1545 O MET A 95 -5.160 5.214 5.062 1.00 0.26 O ATOM 1546 CB MET A 95 -6.000 2.298 6.203 1.00 0.48 C ATOM 1547 CG MET A 95 -6.099 2.298 7.731 1.00 0.81 C ATOM 1548 SD MET A 95 -5.454 0.738 8.382 1.00 1.25 S ATOM 1549 CE MET A 95 -7.033 -0.137 8.463 1.00 0.83 C ATOM 0 H MET A 95 -8.011 2.060 4.732 1.00 0.27 H new ATOM 0 HA MET A 95 -7.028 4.175 6.462 1.00 0.36 H new ATOM 0 HB2 MET A 95 -6.425 1.378 5.801 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.954 2.326 5.896 1.00 0.48 H new ATOM 0 HG2 MET A 95 -5.535 3.136 8.142 1.00 0.81 H new ATOM 0 HG3 MET A 95 -7.136 2.431 8.038 1.00 0.81 H new ATOM 0 HE1 MET A 95 -6.871 -1.145 8.846 1.00 0.83 H new ATOM 0 HE2 MET A 95 -7.712 0.399 9.126 1.00 0.83 H new ATOM 0 HE3 MET A 95 -7.469 -0.194 7.466 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.885 3.962 3.418 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.043 4.705 2.451 1.00 0.20 C ATOM 1561 C ALA A 96 -5.450 6.181 2.484 1.00 0.18 C ATOM 1562 O ALA A 96 -4.618 7.067 2.503 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.251 4.128 1.046 1.00 0.23 C ATOM 0 H ALA A 96 -6.448 3.208 3.024 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.989 4.612 2.714 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.632 4.673 0.333 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.969 3.075 1.040 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.300 4.225 0.765 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.729 6.450 2.464 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.212 7.863 2.468 1.00 0.21 C ATOM 1571 C LYS A 97 -6.743 8.621 3.714 1.00 0.21 C ATOM 1572 O LYS A 97 -6.234 9.720 3.614 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.742 7.871 2.435 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.245 9.299 2.208 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.774 9.313 2.249 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.276 10.745 2.060 1.00 1.07 C ATOM 1577 NZ LYS A 97 -12.765 10.757 2.104 1.00 2.10 N ATOM 0 H LYS A 97 -7.466 5.745 2.445 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.800 8.360 1.590 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.102 7.218 1.640 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.138 7.480 3.372 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.844 9.963 2.973 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.893 9.672 1.246 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.175 8.669 1.466 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.127 8.915 3.201 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -10.873 11.390 2.841 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.926 11.142 1.107 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -13.108 11.730 1.976 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -13.140 10.155 1.344 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -13.088 10.395 3.024 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.928 8.086 4.892 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.502 8.845 6.109 1.00 0.25 C ATOM 1593 C ARG A 98 -4.976 8.916 6.196 1.00 0.20 C ATOM 1594 O ARG A 98 -4.428 9.866 6.719 1.00 0.21 O ATOM 1595 CB ARG A 98 -7.063 8.173 7.371 1.00 0.33 C ATOM 1596 CG ARG A 98 -6.874 6.665 7.287 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.179 6.032 8.654 1.00 1.28 C ATOM 1598 NE ARG A 98 -8.368 6.696 9.258 1.00 1.90 N ATOM 1599 CZ ARG A 98 -9.018 6.114 10.229 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -8.642 4.940 10.655 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -10.049 6.706 10.767 1.00 3.20 N ATOM 0 H ARG A 98 -7.348 7.173 5.065 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.894 9.859 6.035 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -6.558 8.562 8.255 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -8.122 8.409 7.479 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -7.533 6.247 6.526 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -5.852 6.432 6.987 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -7.366 4.964 8.538 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -6.318 6.135 9.314 1.00 1.28 H new ATOM 0 HE ARG A 98 -8.674 7.606 8.913 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -7.840 4.476 10.229 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -9.150 4.486 11.414 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -10.345 7.621 10.429 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -10.559 6.253 11.526 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.274 7.933 5.699 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.787 7.997 5.781 1.00 0.22 C ATOM 1617 C TYR A 99 -2.269 9.023 4.761 1.00 0.19 C ATOM 1618 O TYR A 99 -1.507 9.908 5.093 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.176 6.613 5.479 1.00 0.27 C ATOM 1620 CG TYR A 99 -2.281 5.674 6.679 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.851 6.078 7.958 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.786 4.374 6.503 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -1.936 5.196 9.040 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -2.864 3.494 7.592 1.00 1.34 C ATOM 1625 CZ TYR A 99 -2.442 3.907 8.859 1.00 0.40 C ATOM 1626 OH TYR A 99 -2.519 3.039 9.929 1.00 0.47 O ATOM 0 H TYR A 99 -4.657 7.103 5.248 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.496 8.297 6.788 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.686 6.169 4.624 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.129 6.731 5.200 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -1.454 7.072 8.104 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -3.115 4.052 5.526 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -1.609 5.513 10.019 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -3.251 2.495 7.452 1.00 1.34 H new ATOM 0 HH TYR A 99 -2.895 2.185 9.631 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.663 8.899 3.522 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.173 9.860 2.491 1.00 0.19 C ATOM 1638 C VAL A 100 -2.621 11.280 2.853 1.00 0.21 C ATOM 1639 O VAL A 100 -1.931 12.244 2.583 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.710 9.471 1.107 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.207 9.777 1.008 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -1.958 10.263 0.034 1.00 0.20 C ATOM 0 H VAL A 100 -3.299 8.179 3.180 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.084 9.827 2.463 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.560 8.402 0.957 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.571 9.495 0.020 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.745 9.211 1.768 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.372 10.843 1.165 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.336 9.990 -0.951 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.108 11.330 0.197 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -0.894 10.033 0.091 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.764 11.421 3.466 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.240 12.783 3.843 1.00 0.27 C ATOM 1654 C ASP A 101 -3.247 13.409 4.822 1.00 0.26 C ATOM 1655 O ASP A 101 -2.880 14.561 4.700 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.617 12.681 4.503 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.147 14.085 4.802 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -6.463 14.790 3.858 1.00 1.79 O ATOM 1659 OD2 ASP A 101 -6.228 14.430 5.969 1.00 1.60 O ATOM 0 H ASP A 101 -4.387 10.655 3.722 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.315 13.405 2.951 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.308 12.152 3.846 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.548 12.103 5.425 1.00 0.30 H new ATOM 1664 N THR A 102 -2.812 12.660 5.797 1.00 0.25 N ATOM 1665 CA THR A 102 -1.845 13.206 6.789 1.00 0.26 C ATOM 1666 C THR A 102 -0.566 13.652 6.075 1.00 0.26 C ATOM 1667 O THR A 102 -0.052 14.726 6.317 1.00 0.27 O ATOM 1668 CB THR A 102 -1.505 12.118 7.812 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.706 11.596 8.362 1.00 0.32 O ATOM 1670 CG2 THR A 102 -0.645 12.710 8.929 1.00 0.29 C ATOM 0 H THR A 102 -3.086 11.689 5.950 1.00 0.25 H new ATOM 0 HA THR A 102 -2.290 14.063 7.295 1.00 0.26 H new ATOM 0 HB THR A 102 -0.952 11.318 7.319 1.00 0.27 H new ATOM 0 HG1 THR A 102 -3.078 10.923 7.755 1.00 0.32 H new ATOM 0 HG21 THR A 102 -0.405 11.933 9.655 1.00 0.29 H new ATOM 0 HG22 THR A 102 0.277 13.108 8.506 1.00 0.29 H new ATOM 0 HG23 THR A 102 -1.193 13.512 9.424 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.038 12.829 5.209 1.00 0.25 N ATOM 1679 CA LEU A 103 1.217 13.203 4.496 1.00 0.27 C ATOM 1680 C LEU A 103 0.970 14.426 3.605 1.00 0.29 C ATOM 1681 O LEU A 103 1.775 15.334 3.547 1.00 0.31 O ATOM 1682 CB LEU A 103 1.691 12.024 3.638 1.00 0.29 C ATOM 1683 CG LEU A 103 3.107 12.294 3.095 1.00 0.34 C ATOM 1684 CD1 LEU A 103 4.157 12.127 4.206 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.409 11.301 1.967 1.00 0.41 C ATOM 0 H LEU A 103 -0.421 11.916 4.965 1.00 0.25 H new ATOM 0 HA LEU A 103 1.985 13.449 5.229 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.690 11.110 4.231 1.00 0.29 H new ATOM 0 HB3 LEU A 103 1.000 11.867 2.810 1.00 0.29 H new ATOM 0 HG LEU A 103 3.150 13.317 2.722 1.00 0.34 H new ATOM 0 HD11 LEU A 103 5.150 12.322 3.801 1.00 0.36 H new ATOM 0 HD12 LEU A 103 3.949 12.831 5.012 1.00 0.36 H new ATOM 0 HD13 LEU A 103 4.117 11.109 4.594 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.410 11.486 1.578 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.352 10.283 2.353 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.680 11.426 1.167 1.00 0.41 H new ATOM 1697 N PHE A 104 -0.132 14.457 2.906 1.00 0.29 N ATOM 1698 CA PHE A 104 -0.420 15.620 2.016 1.00 0.32 C ATOM 1699 C PHE A 104 -0.688 16.872 2.854 1.00 0.37 C ATOM 1700 O PHE A 104 -0.435 17.979 2.424 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.651 15.315 1.158 1.00 0.33 C ATOM 1702 CG PHE A 104 -1.965 16.510 0.282 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.088 16.867 -0.750 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.131 17.259 0.499 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -1.374 17.971 -1.563 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.415 18.363 -0.316 1.00 1.19 C ATOM 1707 CZ PHE A 104 -2.537 18.718 -1.346 1.00 0.60 C ATOM 0 H PHE A 104 -0.846 13.728 2.912 1.00 0.29 H new ATOM 0 HA PHE A 104 0.444 15.796 1.375 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.468 14.436 0.540 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.504 15.084 1.796 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -0.190 16.291 -0.919 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.809 16.985 1.294 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -0.696 18.246 -2.358 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.312 18.940 -0.149 1.00 1.19 H new ATOM 0 HZ PHE A 104 -2.757 19.569 -1.974 1.00 0.60 H new ATOM 1717 N GLU A 105 -1.207 16.715 4.042 1.00 0.42 N ATOM 1718 CA GLU A 105 -1.493 17.912 4.882 1.00 0.52 C ATOM 1719 C GLU A 105 -0.179 18.645 5.181 1.00 0.56 C ATOM 1720 O GLU A 105 -0.112 19.855 5.107 1.00 0.61 O ATOM 1721 CB GLU A 105 -2.164 17.459 6.187 1.00 0.58 C ATOM 1722 CG GLU A 105 -2.858 18.642 6.871 1.00 1.20 C ATOM 1723 CD GLU A 105 -1.807 19.582 7.463 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -1.040 19.131 8.298 1.00 2.31 O ATOM 1725 OE2 GLU A 105 -1.787 20.737 7.072 1.00 2.47 O ATOM 0 H GLU A 105 -1.444 15.817 4.464 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.163 18.592 4.355 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.891 16.675 5.976 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -1.418 17.030 6.857 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -3.477 19.179 6.152 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -3.522 18.282 7.657 1.00 1.20 H new ATOM 1838 N GLN A 112 2.954 13.769 -7.739 1.00 0.54 N ATOM 1839 CA GLN A 112 2.745 12.304 -7.556 1.00 0.49 C ATOM 1840 C GLN A 112 1.801 12.072 -6.378 1.00 0.39 C ATOM 1841 O GLN A 112 0.999 11.160 -6.379 1.00 0.37 O ATOM 1842 CB GLN A 112 4.093 11.636 -7.270 1.00 0.54 C ATOM 1843 CG GLN A 112 5.068 11.947 -8.407 1.00 1.05 C ATOM 1844 CD GLN A 112 4.565 11.303 -9.700 1.00 1.82 C ATOM 1845 OE1 GLN A 112 4.659 11.889 -10.761 1.00 2.54 O ATOM 1846 NE2 GLN A 112 4.031 10.114 -9.656 1.00 2.56 N ATOM 0 HA GLN A 112 2.310 11.877 -8.460 1.00 0.49 H new ATOM 0 HB2 GLN A 112 4.495 11.996 -6.323 1.00 0.54 H new ATOM 0 HB3 GLN A 112 3.963 10.558 -7.172 1.00 0.54 H new ATOM 0 HG2 GLN A 112 5.160 13.025 -8.537 1.00 1.05 H new ATOM 0 HG3 GLN A 112 6.061 11.570 -8.162 1.00 1.05 H new ATOM 0 HE21 GLN A 112 3.952 9.623 -8.765 1.00 2.56 H new ATOM 0 HE22 GLN A 112 3.692 9.675 -10.512 1.00 2.56 H new ATOM 1855 N VAL A 113 1.888 12.899 -5.375 1.00 0.37 N ATOM 1856 CA VAL A 113 0.994 12.742 -4.195 1.00 0.32 C ATOM 1857 C VAL A 113 -0.421 13.137 -4.610 1.00 0.32 C ATOM 1858 O VAL A 113 -1.372 12.410 -4.406 1.00 0.30 O ATOM 1859 CB VAL A 113 1.476 13.661 -3.067 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.569 13.497 -1.846 1.00 0.41 C ATOM 1861 CG2 VAL A 113 2.912 13.294 -2.686 1.00 0.40 C ATOM 0 H VAL A 113 2.542 13.680 -5.321 1.00 0.37 H new ATOM 0 HA VAL A 113 1.007 11.710 -3.843 1.00 0.32 H new ATOM 0 HB VAL A 113 1.442 14.696 -3.407 1.00 0.35 H new ATOM 0 HG11 VAL A 113 0.914 14.152 -1.046 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.454 13.761 -2.115 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.600 12.462 -1.506 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.254 13.948 -1.884 1.00 0.40 H new ATOM 0 HG22 VAL A 113 2.946 12.258 -2.349 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.561 13.414 -3.554 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.555 14.292 -5.199 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.900 14.750 -5.643 1.00 0.40 C ATOM 1873 C GLY A 114 -2.487 13.709 -6.596 1.00 0.38 C ATOM 1874 O GLY A 114 -3.678 13.465 -6.616 1.00 0.38 O ATOM 0 H GLY A 114 0.210 14.939 -5.392 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.555 14.885 -4.783 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -1.824 15.717 -6.141 1.00 0.40 H new ATOM 1878 N ALA A 115 -1.654 13.089 -7.386 1.00 0.38 N ATOM 1879 CA ALA A 115 -2.148 12.059 -8.342 1.00 0.38 C ATOM 1880 C ALA A 115 -2.442 10.757 -7.585 1.00 0.33 C ATOM 1881 O ALA A 115 -3.484 10.148 -7.766 1.00 0.34 O ATOM 1882 CB ALA A 115 -1.089 11.817 -9.417 1.00 0.43 C ATOM 0 H ALA A 115 -0.648 13.253 -7.410 1.00 0.38 H new ATOM 0 HA ALA A 115 -3.065 12.406 -8.817 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -1.448 11.064 -10.118 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -0.894 12.747 -9.952 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -0.169 11.468 -8.949 1.00 0.43 H new ATOM 1888 N LEU A 116 -1.560 10.322 -6.733 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.839 9.068 -5.982 1.00 0.29 C ATOM 1890 C LEU A 116 -3.138 9.253 -5.196 1.00 0.26 C ATOM 1891 O LEU A 116 -4.013 8.410 -5.212 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.681 8.779 -5.017 1.00 0.32 C ATOM 1893 CG LEU A 116 -1.040 7.618 -4.076 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.477 6.392 -4.891 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.189 7.263 -3.234 1.00 0.68 C ATOM 0 H LEU A 116 -0.669 10.773 -6.525 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.939 8.230 -6.672 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.218 8.532 -5.582 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.455 9.671 -4.433 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.862 7.919 -3.427 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.729 5.576 -4.214 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -2.350 6.647 -5.492 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.663 6.082 -5.546 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -0.055 6.440 -2.563 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.006 6.965 -3.891 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.492 8.131 -2.648 1.00 0.68 H new ATOM 1907 N LYS A 117 -3.264 10.348 -4.495 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.499 10.581 -3.696 1.00 0.28 C ATOM 1909 C LYS A 117 -5.714 10.530 -4.623 1.00 0.28 C ATOM 1910 O LYS A 117 -6.805 10.182 -4.219 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.418 11.957 -3.026 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.543 12.106 -1.993 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.750 13.588 -1.658 1.00 0.86 C ATOM 1914 CE LYS A 117 -4.441 14.192 -1.143 1.00 1.44 C ATOM 1915 NZ LYS A 117 -3.837 13.282 -0.130 1.00 2.16 N ATOM 0 H LYS A 117 -2.566 11.089 -4.442 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.594 9.812 -2.930 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.449 12.078 -2.541 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -4.498 12.742 -3.778 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.467 11.680 -2.384 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.294 11.551 -1.089 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -6.086 14.127 -2.544 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -6.531 13.694 -0.905 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -3.748 14.343 -1.970 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -4.629 15.171 -0.702 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -3.811 13.759 0.794 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -4.408 12.416 -0.057 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -2.869 13.035 -0.419 1.00 2.16 H new ATOM 1929 N SER A 118 -5.530 10.895 -5.865 1.00 0.29 N ATOM 1930 CA SER A 118 -6.669 10.891 -6.823 1.00 0.31 C ATOM 1931 C SER A 118 -7.179 9.468 -7.048 1.00 0.29 C ATOM 1932 O SER A 118 -8.355 9.260 -7.244 1.00 0.30 O ATOM 1933 CB SER A 118 -6.222 11.484 -8.160 1.00 0.34 C ATOM 1934 OG SER A 118 -7.369 11.793 -8.942 1.00 1.35 O ATOM 0 H SER A 118 -4.637 11.196 -6.256 1.00 0.29 H new ATOM 0 HA SER A 118 -7.475 11.493 -6.403 1.00 0.31 H new ATOM 0 HB2 SER A 118 -5.629 12.383 -7.992 1.00 0.34 H new ATOM 0 HB3 SER A 118 -5.585 10.776 -8.691 1.00 0.34 H new ATOM 0 HG SER A 118 -7.087 12.175 -9.799 1.00 1.35 H new ATOM 1940 N MET A 119 -6.333 8.475 -6.989 1.00 0.26 N ATOM 1941 CA MET A 119 -6.836 7.079 -7.179 1.00 0.25 C ATOM 1942 C MET A 119 -7.623 6.673 -5.927 1.00 0.23 C ATOM 1943 O MET A 119 -8.712 6.139 -6.001 1.00 0.24 O ATOM 1944 CB MET A 119 -5.645 6.128 -7.379 1.00 0.26 C ATOM 1945 CG MET A 119 -5.159 6.198 -8.831 1.00 0.61 C ATOM 1946 SD MET A 119 -4.560 7.874 -9.190 1.00 1.03 S ATOM 1947 CE MET A 119 -2.862 7.448 -9.657 1.00 0.69 C ATOM 0 H MET A 119 -5.331 8.564 -6.820 1.00 0.26 H new ATOM 0 HA MET A 119 -7.481 7.025 -8.056 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.835 6.399 -6.702 1.00 0.26 H new ATOM 0 HB3 MET A 119 -5.938 5.107 -7.133 1.00 0.26 H new ATOM 0 HG2 MET A 119 -4.362 5.473 -8.994 1.00 0.61 H new ATOM 0 HG3 MET A 119 -5.971 5.937 -9.510 1.00 0.61 H new ATOM 0 HE1 MET A 119 -2.318 8.356 -9.918 1.00 0.69 H new ATOM 0 HE2 MET A 119 -2.367 6.956 -8.820 1.00 0.69 H new ATOM 0 HE3 MET A 119 -2.878 6.776 -10.515 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.076 6.957 -4.780 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.763 6.640 -3.496 1.00 0.20 C ATOM 1959 C VAL A 120 -9.097 7.391 -3.405 1.00 0.22 C ATOM 1960 O VAL A 120 -10.126 6.804 -3.136 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.863 7.089 -2.341 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.457 6.618 -1.011 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.472 6.476 -2.520 1.00 0.23 C ATOM 0 H VAL A 120 -6.165 7.404 -4.675 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.955 5.568 -3.444 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.790 8.177 -2.338 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.814 6.939 -0.191 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.450 7.049 -0.883 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.530 5.530 -1.010 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.827 6.792 -1.700 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.551 5.389 -2.521 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.046 6.810 -3.466 1.00 0.23 H new ATOM 1973 N GLU A 121 -9.094 8.679 -3.606 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.371 9.447 -3.505 1.00 0.29 C ATOM 1975 C GLU A 121 -11.304 9.088 -4.667 1.00 0.28 C ATOM 1976 O GLU A 121 -12.506 9.031 -4.508 1.00 0.31 O ATOM 1977 CB GLU A 121 -10.073 10.950 -3.540 1.00 0.35 C ATOM 1978 CG GLU A 121 -9.513 11.398 -2.188 1.00 1.07 C ATOM 1979 CD GLU A 121 -9.161 12.885 -2.253 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -8.422 13.260 -3.149 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -9.636 13.624 -1.406 1.00 2.20 O ATOM 0 H GLU A 121 -8.269 9.233 -3.835 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.859 9.190 -2.565 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.357 11.170 -4.332 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.982 11.505 -3.770 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -10.246 11.220 -1.401 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -8.628 10.814 -1.937 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.772 8.841 -5.830 1.00 0.28 N ATOM 1989 CA ASP A 122 -11.658 8.490 -6.977 1.00 0.30 C ATOM 1990 C ASP A 122 -12.257 7.105 -6.750 1.00 0.28 C ATOM 1991 O ASP A 122 -13.426 6.870 -7.008 1.00 0.31 O ATOM 1992 CB ASP A 122 -10.858 8.485 -8.281 1.00 0.34 C ATOM 1993 CG ASP A 122 -10.439 9.914 -8.631 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -10.529 10.766 -7.762 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -10.032 10.132 -9.760 1.00 1.92 O ATOM 0 H ASP A 122 -9.774 8.866 -6.037 1.00 0.28 H new ATOM 0 HA ASP A 122 -12.453 9.232 -7.049 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -9.977 7.852 -8.176 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -11.459 8.064 -9.087 1.00 0.34 H new ATOM 2000 N LYS A 123 -11.479 6.180 -6.260 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.012 4.814 -6.020 1.00 0.27 C ATOM 2002 C LYS A 123 -12.960 4.828 -4.822 1.00 0.26 C ATOM 2003 O LYS A 123 -13.959 4.133 -4.807 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.839 3.865 -5.730 1.00 0.27 C ATOM 2005 CG LYS A 123 -11.300 2.396 -5.835 1.00 0.93 C ATOM 2006 CD LYS A 123 -11.134 1.894 -7.274 1.00 1.10 C ATOM 2007 CE LYS A 123 -11.806 0.528 -7.420 1.00 1.43 C ATOM 2008 NZ LYS A 123 -11.309 -0.388 -6.355 1.00 1.95 N ATOM 0 H LYS A 123 -10.498 6.313 -6.016 1.00 0.27 H new ATOM 0 HA LYS A 123 -12.557 4.476 -6.901 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.029 4.050 -6.436 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -10.443 4.059 -4.733 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.717 1.774 -5.155 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -12.343 2.311 -5.530 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -11.577 2.605 -7.972 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -10.076 1.819 -7.524 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -12.888 0.634 -7.347 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -11.592 0.109 -8.403 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -11.484 -1.374 -6.636 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -10.288 -0.242 -6.220 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -11.808 -0.188 -5.465 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.668 5.605 -3.804 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.580 5.620 -2.623 1.00 0.29 C ATOM 2024 C ILE A 124 -14.825 6.432 -2.996 1.00 0.35 C ATOM 2025 O ILE A 124 -15.906 6.205 -2.496 1.00 0.43 O ATOM 2026 CB ILE A 124 -12.859 6.238 -1.416 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -11.766 5.280 -0.923 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -13.861 6.500 -0.290 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -10.904 5.971 0.142 1.00 0.30 C ATOM 0 H ILE A 124 -11.854 6.216 -3.742 1.00 0.27 H new ATOM 0 HA ILE A 124 -13.875 4.607 -2.350 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.404 7.182 -1.715 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.220 4.380 -0.508 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.142 4.965 -1.760 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.343 6.938 0.563 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.630 7.188 -0.640 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.324 5.560 0.011 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.131 5.284 0.486 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.437 6.857 -0.287 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.531 6.263 0.984 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.674 7.385 -3.877 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.849 8.208 -4.279 1.00 0.40 C ATOM 2043 C GLN A 125 -16.919 7.278 -4.869 1.00 0.43 C ATOM 2044 O GLN A 125 -18.101 7.488 -4.688 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.424 9.261 -5.317 1.00 0.53 C ATOM 2046 CG GLN A 125 -14.979 10.548 -4.613 1.00 1.22 C ATOM 2047 CD GLN A 125 -14.228 11.437 -5.606 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -13.454 12.287 -5.214 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -14.426 11.274 -6.886 1.00 2.64 N ATOM 0 H GLN A 125 -13.794 7.627 -4.332 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.254 8.729 -3.411 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -14.610 8.872 -5.928 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -16.254 9.474 -5.990 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -15.846 11.077 -4.217 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -14.337 10.309 -3.765 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -15.076 10.560 -7.215 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -13.931 11.861 -7.557 1.00 2.64 H new