USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 717 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: A2026 MET CE :methyl 145:sc= -6.49! (180deg=-7.68!) USER MOD Set 1.2: A2057 MET CE :methyl 173:sc= -2.99! (180deg=-0.0963) USER MOD Set 1.3: A2058 MET CE :methyl 155:sc= -18! (180deg=-15.7!) USER MOD Single : A2024 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.36) USER MOD Single : A2028 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-4.1!) USER MOD Single : A2035 SER OG : rot -85:sc= 0.877 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.256 K(o=-0.26,f=-0.87) USER MOD Single : A2045 LYS NZ :NH3+ -165:sc= -0.0133 (180deg=-0.311) USER MOD Single : A2047 MET CE :methyl -136:sc= -14! (180deg=-22.7!) USER MOD Single : A2055 HIS : no HD1:sc= -2.78! K(o=-2.8!,f=-1.8) USER MOD Single : A2063 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.3!) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 180:sc= 0 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.6!) USER MOD Single : A2072 GLN : amide:sc=-0.00916 X(o=-0.0092,f=-0.039) USER MOD Single : A2074 TYR OH : rot 165:sc=-0.00533 USER MOD Single : A2079 MET CE :methyl 156:sc= -0.985 (180deg=-1.92!) USER MOD Single : A2082 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2085 CYS SG : rot 97:sc= -0.411! USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -110:sc= -6.27! (180deg=-11.4!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 80:sc= 0.971 USER MOD Single : A2099 GLN : amide:sc= -0.0907 X(o=-0.091,f=-0.52) USER MOD Single : A2104 TYR OH : rot 180:sc= -0.0587 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2112 SER OG : rot 180:sc= 0 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -7.737 -12.670 2.462 1.00 51.42 N ATOM 144 CA LEU A2022 -6.316 -12.721 2.165 1.00 64.33 C ATOM 145 C LEU A2022 -5.709 -11.331 2.363 1.00 75.11 C ATOM 146 O LEU A2022 -6.430 -10.338 2.432 1.00 74.35 O ATOM 147 CB LEU A2022 -6.082 -13.302 0.769 1.00 32.25 C ATOM 148 CG LEU A2022 -5.136 -14.502 0.693 1.00 33.12 C ATOM 149 CD1 LEU A2022 -3.742 -14.136 1.209 1.00 60.33 C ATOM 150 CD2 LEU A2022 -5.721 -15.709 1.431 1.00 41.11 C ATOM 0 HA LEU A2022 -5.805 -13.393 2.854 1.00 64.33 H new ATOM 0 HB2 LEU A2022 -7.046 -13.597 0.354 1.00 32.25 H new ATOM 0 HB3 LEU A2022 -5.688 -12.512 0.130 1.00 32.25 H new ATOM 0 HG LEU A2022 -5.028 -14.785 -0.354 1.00 33.12 H new ATOM 0 HD11 LEU A2022 -3.090 -15.007 1.144 1.00 60.33 H new ATOM 0 HD12 LEU A2022 -3.330 -13.328 0.604 1.00 60.33 H new ATOM 0 HD13 LEU A2022 -3.812 -13.812 2.247 1.00 60.33 H new ATOM 0 HD21 LEU A2022 -5.029 -16.548 1.362 1.00 41.11 H new ATOM 0 HD22 LEU A2022 -5.878 -15.454 2.479 1.00 41.11 H new ATOM 0 HD23 LEU A2022 -6.673 -15.986 0.978 1.00 41.11 H new ATOM 162 N TRP A2023 -4.386 -11.305 2.448 1.00 31.22 N ATOM 163 CA TRP A2023 -3.673 -10.053 2.638 1.00 72.22 C ATOM 164 C TRP A2023 -4.201 -9.048 1.612 1.00 61.01 C ATOM 165 O TRP A2023 -4.522 -7.912 1.957 1.00 61.32 O ATOM 166 CB TRP A2023 -2.161 -10.264 2.545 1.00 24.41 C ATOM 167 CG TRP A2023 -1.489 -10.552 3.889 1.00 34.22 C ATOM 168 CD1 TRP A2023 -2.072 -10.909 5.042 1.00 13.44 C ATOM 169 CD2 TRP A2023 -0.076 -10.494 4.174 1.00 15.33 C ATOM 170 NE1 TRP A2023 -1.139 -11.083 6.047 1.00 24.24 N ATOM 171 CE2 TRP A2023 0.111 -10.822 5.501 1.00 2.20 C ATOM 172 CE3 TRP A2023 1.009 -10.172 3.339 1.00 63.34 C ATOM 173 CZ2 TRP A2023 1.373 -10.862 6.110 1.00 70.40 C ATOM 174 CZ3 TRP A2023 2.261 -10.217 3.962 1.00 43.03 C ATOM 175 CH2 TRP A2023 2.468 -10.546 5.297 1.00 2.52 C ATOM 0 H TRP A2023 -3.790 -12.131 2.389 1.00 31.22 H new ATOM 0 HA TRP A2023 -3.850 -9.656 3.637 1.00 72.22 H new ATOM 0 HB2 TRP A2023 -1.961 -11.093 1.866 1.00 24.41 H new ATOM 0 HB3 TRP A2023 -1.707 -9.376 2.106 1.00 24.41 H new ATOM 0 HD1 TRP A2023 -3.136 -11.044 5.170 1.00 13.44 H new ATOM 0 HE1 TRP A2023 -1.333 -11.353 7.011 1.00 24.24 H new ATOM 0 HE3 TRP A2023 0.885 -9.910 2.298 1.00 63.34 H new ATOM 0 HZ2 TRP A2023 1.494 -11.123 7.151 1.00 70.40 H new ATOM 0 HZ3 TRP A2023 3.128 -9.979 3.364 1.00 43.03 H new ATOM 0 HH2 TRP A2023 3.468 -10.558 5.705 1.00 2.52 H new ATOM 186 N HIS A2024 -4.274 -9.504 0.369 1.00 4.40 N ATOM 187 CA HIS A2024 -4.757 -8.660 -0.711 1.00 13.32 C ATOM 188 C HIS A2024 -6.046 -7.961 -0.277 1.00 1.01 C ATOM 189 O HIS A2024 -6.409 -6.921 -0.828 1.00 62.24 O ATOM 190 CB HIS A2024 -4.924 -9.468 -1.999 1.00 74.53 C ATOM 191 CG HIS A2024 -3.871 -10.530 -2.198 1.00 5.12 C ATOM 192 ND1 HIS A2024 -4.172 -11.817 -2.604 1.00 64.43 N ATOM 193 CD2 HIS A2024 -2.516 -10.482 -2.047 1.00 61.03 C ATOM 194 CE1 HIS A2024 -3.043 -12.504 -2.689 1.00 21.42 C ATOM 195 NE2 HIS A2024 -2.017 -11.676 -2.342 1.00 75.02 N ATOM 0 H HIS A2024 -4.007 -10.447 0.086 1.00 4.40 H new ATOM 0 HA HIS A2024 -4.021 -7.886 -0.930 1.00 13.32 H new ATOM 0 HB2 HIS A2024 -5.906 -9.941 -1.994 1.00 74.53 H new ATOM 0 HB3 HIS A2024 -4.903 -8.786 -2.849 1.00 74.53 H new ATOM 0 HD2 HIS A2024 -1.946 -9.618 -1.739 1.00 61.03 H new ATOM 0 HE1 HIS A2024 -2.951 -13.539 -2.982 1.00 21.42 H new ATOM 0 HE2 HIS A2024 -1.030 -11.932 -2.314 1.00 75.02 H new ATOM 204 N GLU A2025 -6.703 -8.557 0.707 1.00 64.35 N ATOM 205 CA GLU A2025 -7.945 -8.004 1.221 1.00 50.00 C ATOM 206 C GLU A2025 -7.672 -6.712 1.996 1.00 20.52 C ATOM 207 O GLU A2025 -8.454 -5.767 1.927 1.00 15.41 O ATOM 208 CB GLU A2025 -8.678 -9.023 2.094 1.00 62.31 C ATOM 209 CG GLU A2025 -10.108 -8.566 2.388 1.00 73.41 C ATOM 210 CD GLU A2025 -10.984 -8.665 1.136 1.00 14.42 C ATOM 211 OE1 GLU A2025 -10.459 -8.796 0.022 1.00 1.34 O ATOM 212 OE2 GLU A2025 -12.254 -8.602 1.354 1.00 13.13 O ATOM 0 H GLU A2025 -6.399 -9.418 1.162 1.00 64.35 H new ATOM 0 HA GLU A2025 -8.591 -7.767 0.376 1.00 50.00 H new ATOM 0 HB2 GLU A2025 -8.698 -9.990 1.592 1.00 62.31 H new ATOM 0 HB3 GLU A2025 -8.137 -9.161 3.030 1.00 62.31 H new ATOM 0 HG2 GLU A2025 -10.533 -9.179 3.183 1.00 73.41 H new ATOM 0 HG3 GLU A2025 -10.098 -7.538 2.749 1.00 73.41 H new ATOM 220 N MET A2026 -6.558 -6.717 2.715 1.00 44.25 N ATOM 221 CA MET A2026 -6.171 -5.558 3.501 1.00 23.55 C ATOM 222 C MET A2026 -5.654 -4.434 2.603 1.00 12.35 C ATOM 223 O MET A2026 -5.832 -3.256 2.911 1.00 14.11 O ATOM 224 CB MET A2026 -5.081 -5.958 4.497 1.00 22.24 C ATOM 225 CG MET A2026 -3.700 -5.927 3.840 1.00 61.52 C ATOM 226 SD MET A2026 -2.969 -4.310 4.031 1.00 53.55 S ATOM 227 CE MET A2026 -1.239 -4.743 3.989 1.00 32.55 C ATOM 0 H MET A2026 -5.912 -7.505 2.769 1.00 44.25 H new ATOM 0 HA MET A2026 -7.049 -5.195 4.035 1.00 23.55 H new ATOM 0 HB2 MET A2026 -5.097 -5.280 5.351 1.00 22.24 H new ATOM 0 HB3 MET A2026 -5.283 -6.958 4.880 1.00 22.24 H new ATOM 0 HG2 MET A2026 -3.056 -6.682 4.292 1.00 61.52 H new ATOM 0 HG3 MET A2026 -3.786 -6.174 2.782 1.00 61.52 H new ATOM 0 HE1 MET A2026 -0.678 -3.953 3.490 1.00 32.55 H new ATOM 0 HE2 MET A2026 -0.869 -4.863 5.007 1.00 32.55 H new ATOM 0 HE3 MET A2026 -1.111 -5.678 3.444 1.00 32.55 H new ATOM 237 N TRP A2027 -5.025 -4.836 1.507 1.00 53.41 N ATOM 238 CA TRP A2027 -4.480 -3.877 0.562 1.00 2.51 C ATOM 239 C TRP A2027 -5.652 -3.155 -0.107 1.00 25.30 C ATOM 240 O TRP A2027 -5.680 -1.927 -0.164 1.00 10.51 O ATOM 241 CB TRP A2027 -3.548 -4.562 -0.440 1.00 40.14 C ATOM 242 CG TRP A2027 -2.260 -5.105 0.180 1.00 31.23 C ATOM 243 CD1 TRP A2027 -2.108 -6.196 0.944 1.00 60.13 C ATOM 244 CD2 TRP A2027 -0.940 -4.537 0.057 1.00 44.54 C ATOM 245 NE1 TRP A2027 -0.792 -6.371 1.320 1.00 73.02 N ATOM 246 CE2 TRP A2027 -0.059 -5.330 0.763 1.00 42.30 C ATOM 247 CE3 TRP A2027 -0.504 -3.389 -0.630 1.00 24.01 C ATOM 248 CZ2 TRP A2027 1.312 -5.060 0.852 1.00 52.11 C ATOM 249 CZ3 TRP A2027 0.869 -3.135 -0.531 1.00 14.14 C ATOM 250 CH2 TRP A2027 1.769 -3.922 0.176 1.00 10.13 C ATOM 0 H TRP A2027 -4.881 -5.813 1.253 1.00 53.41 H new ATOM 0 HA TRP A2027 -3.863 -3.139 1.074 1.00 2.51 H new ATOM 0 HB2 TRP A2027 -4.084 -5.383 -0.917 1.00 40.14 H new ATOM 0 HB3 TRP A2027 -3.290 -3.851 -1.225 1.00 40.14 H new ATOM 0 HD1 TRP A2027 -2.914 -6.855 1.229 1.00 60.13 H new ATOM 0 HE1 TRP A2027 -0.425 -7.125 1.900 1.00 73.02 H new ATOM 0 HE3 TRP A2027 -1.175 -2.754 -1.189 1.00 24.01 H new ATOM 0 HZ2 TRP A2027 1.982 -5.696 1.412 1.00 52.11 H new ATOM 0 HZ3 TRP A2027 1.256 -2.265 -1.041 1.00 14.14 H new ATOM 0 HH2 TRP A2027 2.816 -3.658 0.204 1.00 10.13 H new ATOM 261 N HIS A2028 -6.593 -3.949 -0.596 1.00 24.24 N ATOM 262 CA HIS A2028 -7.764 -3.403 -1.259 1.00 50.43 C ATOM 263 C HIS A2028 -8.595 -2.601 -0.255 1.00 24.12 C ATOM 264 O HIS A2028 -9.065 -1.509 -0.566 1.00 75.34 O ATOM 265 CB HIS A2028 -8.567 -4.511 -1.944 1.00 12.13 C ATOM 266 CG HIS A2028 -10.018 -4.560 -1.533 1.00 64.33 C ATOM 267 ND1 HIS A2028 -10.917 -3.550 -1.826 1.00 4.32 N ATOM 268 CD2 HIS A2028 -10.719 -5.510 -0.848 1.00 54.33 C ATOM 269 CE1 HIS A2028 -12.101 -3.886 -1.336 1.00 4.51 C ATOM 270 NE2 HIS A2028 -11.976 -5.099 -0.729 1.00 24.45 N ATOM 0 H HIS A2028 -6.568 -4.967 -0.546 1.00 24.24 H new ATOM 0 HA HIS A2028 -7.454 -2.719 -2.049 1.00 50.43 H new ATOM 0 HB2 HIS A2028 -8.510 -4.373 -3.024 1.00 12.13 H new ATOM 0 HB3 HIS A2028 -8.104 -5.472 -1.721 1.00 12.13 H new ATOM 0 HD2 HIS A2028 -10.319 -6.438 -0.467 1.00 54.33 H new ATOM 0 HE1 HIS A2028 -13.006 -3.301 -1.406 1.00 4.51 H new ATOM 0 HE2 HIS A2028 -12.725 -5.608 -0.260 1.00 24.45 H new ATOM 279 N GLU A2029 -8.751 -3.178 0.929 1.00 21.05 N ATOM 280 CA GLU A2029 -9.516 -2.532 1.980 1.00 72.24 C ATOM 281 C GLU A2029 -8.806 -1.261 2.450 1.00 10.04 C ATOM 282 O GLU A2029 -9.448 -0.240 2.693 1.00 51.41 O ATOM 283 CB GLU A2029 -9.760 -3.488 3.148 1.00 32.11 C ATOM 284 CG GLU A2029 -10.698 -4.627 2.740 1.00 72.25 C ATOM 285 CD GLU A2029 -12.162 -4.187 2.826 1.00 15.01 C ATOM 286 OE1 GLU A2029 -12.905 -4.671 3.693 1.00 0.54 O ATOM 287 OE2 GLU A2029 -12.519 -3.307 1.952 1.00 50.20 O ATOM 0 H GLU A2029 -8.360 -4.086 1.182 1.00 21.05 H new ATOM 0 HA GLU A2029 -10.488 -2.252 1.574 1.00 72.24 H new ATOM 0 HB2 GLU A2029 -8.810 -3.899 3.490 1.00 32.11 H new ATOM 0 HB3 GLU A2029 -10.191 -2.941 3.986 1.00 32.11 H new ATOM 0 HG2 GLU A2029 -10.469 -4.945 1.723 1.00 72.25 H new ATOM 0 HG3 GLU A2029 -10.534 -5.488 3.388 1.00 72.25 H new ATOM 295 N GLY A2030 -7.489 -1.366 2.565 1.00 62.33 N ATOM 296 CA GLY A2030 -6.684 -0.238 3.002 1.00 32.32 C ATOM 297 C GLY A2030 -6.906 0.976 2.097 1.00 35.32 C ATOM 298 O GLY A2030 -7.370 2.019 2.556 1.00 50.43 O ATOM 0 H GLY A2030 -6.960 -2.215 2.363 1.00 62.33 H new ATOM 0 HA2 GLY A2030 -6.939 0.019 4.030 1.00 32.32 H new ATOM 0 HA3 GLY A2030 -5.630 -0.514 2.994 1.00 32.32 H new ATOM 302 N LEU A2031 -6.562 0.800 0.830 1.00 1.11 N ATOM 303 CA LEU A2031 -6.717 1.868 -0.142 1.00 52.22 C ATOM 304 C LEU A2031 -8.189 2.280 -0.211 1.00 74.34 C ATOM 305 O LEU A2031 -8.501 3.448 -0.444 1.00 25.11 O ATOM 306 CB LEU A2031 -6.130 1.454 -1.493 1.00 64.40 C ATOM 307 CG LEU A2031 -4.749 0.798 -1.452 1.00 14.24 C ATOM 308 CD1 LEU A2031 -4.005 1.004 -2.771 1.00 2.33 C ATOM 309 CD2 LEU A2031 -3.939 1.301 -0.253 1.00 25.21 C ATOM 0 H LEU A2031 -6.176 -0.066 0.454 1.00 1.11 H new ATOM 0 HA LEU A2031 -6.153 2.748 0.167 1.00 52.22 H new ATOM 0 HB2 LEU A2031 -6.824 0.763 -1.972 1.00 64.40 H new ATOM 0 HB3 LEU A2031 -6.071 2.338 -2.128 1.00 64.40 H new ATOM 0 HG LEU A2031 -4.885 -0.276 -1.323 1.00 14.24 H new ATOM 0 HD11 LEU A2031 -3.026 0.528 -2.715 1.00 2.33 H new ATOM 0 HD12 LEU A2031 -4.578 0.560 -3.585 1.00 2.33 H new ATOM 0 HD13 LEU A2031 -3.879 2.071 -2.955 1.00 2.33 H new ATOM 0 HD21 LEU A2031 -2.961 0.819 -0.247 1.00 25.21 H new ATOM 0 HD22 LEU A2031 -3.811 2.381 -0.328 1.00 25.21 H new ATOM 0 HD23 LEU A2031 -4.468 1.061 0.670 1.00 25.21 H new ATOM 321 N GLU A2032 -9.055 1.299 -0.005 1.00 41.11 N ATOM 322 CA GLU A2032 -10.487 1.545 -0.041 1.00 60.25 C ATOM 323 C GLU A2032 -10.854 2.687 0.909 1.00 41.11 C ATOM 324 O GLU A2032 -11.483 3.662 0.499 1.00 55.31 O ATOM 325 CB GLU A2032 -11.270 0.277 0.300 1.00 1.04 C ATOM 326 CG GLU A2032 -11.773 -0.415 -0.968 1.00 30.31 C ATOM 327 CD GLU A2032 -13.303 -0.472 -0.990 1.00 2.31 C ATOM 328 OE1 GLU A2032 -13.933 -0.616 0.067 1.00 52.11 O ATOM 329 OE2 GLU A2032 -13.835 -0.360 -2.160 1.00 10.11 O ATOM 0 H GLU A2032 -8.793 0.332 0.187 1.00 41.11 H new ATOM 0 HA GLU A2032 -10.759 1.839 -1.055 1.00 60.25 H new ATOM 0 HB2 GLU A2032 -10.635 -0.406 0.864 1.00 1.04 H new ATOM 0 HB3 GLU A2032 -12.115 0.529 0.941 1.00 1.04 H new ATOM 0 HG2 GLU A2032 -11.413 0.120 -1.846 1.00 30.31 H new ATOM 0 HG3 GLU A2032 -11.367 -1.425 -1.021 1.00 30.31 H new ATOM 337 N GLU A2033 -10.444 2.530 2.160 1.00 5.33 N ATOM 338 CA GLU A2033 -10.721 3.536 3.170 1.00 44.35 C ATOM 339 C GLU A2033 -9.718 4.685 3.063 1.00 71.41 C ATOM 340 O GLU A2033 -10.102 5.853 3.098 1.00 1.02 O ATOM 341 CB GLU A2033 -10.705 2.923 4.571 1.00 32.41 C ATOM 342 CG GLU A2033 -11.521 3.772 5.549 1.00 74.41 C ATOM 343 CD GLU A2033 -11.887 2.969 6.800 1.00 1.02 C ATOM 344 OE1 GLU A2033 -10.991 2.475 7.503 1.00 44.15 O ATOM 345 OE2 GLU A2033 -13.150 2.867 7.033 1.00 22.53 O ATOM 0 H GLU A2033 -9.922 1.721 2.496 1.00 5.33 H new ATOM 0 HA GLU A2033 -11.720 3.935 2.994 1.00 44.35 H new ATOM 0 HB2 GLU A2033 -11.111 1.912 4.534 1.00 32.41 H new ATOM 0 HB3 GLU A2033 -9.677 2.841 4.925 1.00 32.41 H new ATOM 0 HG2 GLU A2033 -10.949 4.655 5.834 1.00 74.41 H new ATOM 0 HG3 GLU A2033 -12.429 4.124 5.060 1.00 74.41 H new ATOM 353 N ALA A2034 -8.452 4.315 2.936 1.00 22.55 N ATOM 354 CA ALA A2034 -7.391 5.301 2.825 1.00 5.31 C ATOM 355 C ALA A2034 -7.715 6.266 1.682 1.00 0.10 C ATOM 356 O ALA A2034 -7.577 7.478 1.831 1.00 53.31 O ATOM 357 CB ALA A2034 -6.051 4.590 2.624 1.00 24.21 C ATOM 0 H ALA A2034 -8.137 3.345 2.908 1.00 22.55 H new ATOM 0 HA ALA A2034 -7.315 5.887 3.741 1.00 5.31 H new ATOM 0 HB1 ALA A2034 -5.255 5.330 2.541 1.00 24.21 H new ATOM 0 HB2 ALA A2034 -5.853 3.939 3.475 1.00 24.21 H new ATOM 0 HB3 ALA A2034 -6.089 3.994 1.712 1.00 24.21 H new ATOM 363 N SER A2035 -8.141 5.690 0.568 1.00 61.21 N ATOM 364 CA SER A2035 -8.486 6.485 -0.601 1.00 75.52 C ATOM 365 C SER A2035 -9.825 7.190 -0.376 1.00 55.24 C ATOM 366 O SER A2035 -9.946 8.392 -0.621 1.00 35.34 O ATOM 367 CB SER A2035 -8.551 5.615 -1.857 1.00 41.22 C ATOM 368 OG SER A2035 -9.761 4.870 -1.930 1.00 60.24 O ATOM 0 H SER A2035 -8.256 4.683 0.449 1.00 61.21 H new ATOM 0 HA SER A2035 -7.707 7.233 -0.749 1.00 75.52 H new ATOM 0 HB2 SER A2035 -8.461 6.247 -2.740 1.00 41.22 H new ATOM 0 HB3 SER A2035 -7.703 4.930 -1.867 1.00 41.22 H new ATOM 0 HG SER A2035 -9.666 4.040 -1.417 1.00 60.24 H new ATOM 374 N ARG A2036 -10.796 6.419 0.089 1.00 31.55 N ATOM 375 CA ARG A2036 -12.120 6.956 0.350 1.00 2.05 C ATOM 376 C ARG A2036 -12.022 8.210 1.221 1.00 45.02 C ATOM 377 O ARG A2036 -12.588 9.249 0.884 1.00 13.54 O ATOM 378 CB ARG A2036 -13.004 5.923 1.053 1.00 42.24 C ATOM 379 CG ARG A2036 -14.365 6.524 1.415 1.00 32.02 C ATOM 380 CD ARG A2036 -15.049 5.707 2.512 1.00 61.45 C ATOM 381 NE ARG A2036 -16.125 6.504 3.143 1.00 31.34 N ATOM 382 CZ ARG A2036 -15.905 7.555 3.961 1.00 74.41 C ATOM 383 NH1 ARG A2036 -14.648 7.942 4.259 1.00 74.41 N ATOM 384 NH2 ARG A2036 -16.942 8.196 4.469 1.00 34.31 N ATOM 0 H ARG A2036 -10.692 5.425 0.292 1.00 31.55 H new ATOM 0 HA ARG A2036 -12.570 7.210 -0.610 1.00 2.05 H new ATOM 0 HB2 ARG A2036 -13.145 5.058 0.405 1.00 42.24 H new ATOM 0 HB3 ARG A2036 -12.507 5.568 1.956 1.00 42.24 H new ATOM 0 HG2 ARG A2036 -14.235 7.553 1.750 1.00 32.02 H new ATOM 0 HG3 ARG A2036 -15.000 6.555 0.530 1.00 32.02 H new ATOM 0 HD2 ARG A2036 -15.464 4.792 2.090 1.00 61.45 H new ATOM 0 HD3 ARG A2036 -14.318 5.409 3.264 1.00 61.45 H new ATOM 0 HE ARG A2036 -17.092 6.243 2.948 1.00 31.34 H new ATOM 0 HH11 ARG A2036 -13.853 7.439 3.865 1.00 74.41 H new ATOM 0 HH12 ARG A2036 -14.493 8.738 4.878 1.00 74.41 H new ATOM 0 HH21 ARG A2036 -17.889 7.895 4.241 1.00 34.31 H new ATOM 0 HH22 ARG A2036 -16.795 8.992 5.089 1.00 34.31 H new ATOM 396 N LEU A2037 -11.299 8.071 2.323 1.00 71.24 N ATOM 397 CA LEU A2037 -11.120 9.180 3.244 1.00 31.10 C ATOM 398 C LEU A2037 -10.293 10.273 2.566 1.00 1.21 C ATOM 399 O LEU A2037 -10.607 11.456 2.676 1.00 72.52 O ATOM 400 CB LEU A2037 -10.527 8.688 4.566 1.00 53.32 C ATOM 401 CG LEU A2037 -9.038 8.334 4.540 1.00 52.50 C ATOM 402 CD1 LEU A2037 -8.174 9.579 4.741 1.00 1.41 C ATOM 403 CD2 LEU A2037 -8.717 7.243 5.566 1.00 65.05 C ATOM 0 H LEU A2037 -10.831 7.208 2.598 1.00 71.24 H new ATOM 0 HA LEU A2037 -12.083 9.623 3.499 1.00 31.10 H new ATOM 0 HB2 LEU A2037 -10.684 9.458 5.321 1.00 53.32 H new ATOM 0 HB3 LEU A2037 -11.084 7.808 4.887 1.00 53.32 H new ATOM 0 HG LEU A2037 -8.800 7.933 3.555 1.00 52.50 H new ATOM 0 HD11 LEU A2037 -7.121 9.299 4.718 1.00 1.41 H new ATOM 0 HD12 LEU A2037 -8.376 10.295 3.944 1.00 1.41 H new ATOM 0 HD13 LEU A2037 -8.408 10.033 5.704 1.00 1.41 H new ATOM 0 HD21 LEU A2037 -7.653 7.009 5.528 1.00 65.05 H new ATOM 0 HD22 LEU A2037 -8.976 7.595 6.565 1.00 65.05 H new ATOM 0 HD23 LEU A2037 -9.294 6.347 5.337 1.00 65.05 H new ATOM 415 N TYR A2038 -9.246 9.838 1.878 1.00 32.44 N ATOM 416 CA TYR A2038 -8.370 10.763 1.182 1.00 1.34 C ATOM 417 C TYR A2038 -9.160 11.639 0.208 1.00 10.11 C ATOM 418 O TYR A2038 -9.003 12.860 0.198 1.00 24.41 O ATOM 419 CB TYR A2038 -7.387 9.896 0.388 1.00 52.04 C ATOM 420 CG TYR A2038 -6.599 10.665 -0.675 1.00 45.04 C ATOM 421 CD1 TYR A2038 -5.517 11.439 -0.307 1.00 23.45 C ATOM 422 CD2 TYR A2038 -6.971 10.585 -2.000 1.00 65.11 C ATOM 423 CE1 TYR A2038 -4.777 12.161 -1.307 1.00 11.32 C ATOM 424 CE2 TYR A2038 -6.229 11.308 -3.001 1.00 61.34 C ATOM 425 CZ TYR A2038 -5.168 12.061 -2.605 1.00 60.11 C ATOM 426 OH TYR A2038 -4.468 12.744 -3.550 1.00 11.12 O ATOM 0 H TYR A2038 -8.986 8.856 1.789 1.00 32.44 H new ATOM 0 HA TYR A2038 -7.869 11.423 1.890 1.00 1.34 H new ATOM 0 HB2 TYR A2038 -6.685 9.432 1.081 1.00 52.04 H new ATOM 0 HB3 TYR A2038 -7.938 9.089 -0.095 1.00 52.04 H new ATOM 0 HD1 TYR A2038 -5.226 11.502 0.731 1.00 23.45 H new ATOM 0 HD2 TYR A2038 -7.818 9.980 -2.288 1.00 65.11 H new ATOM 0 HE1 TYR A2038 -3.928 12.770 -1.032 1.00 11.32 H new ATOM 0 HE2 TYR A2038 -6.509 11.253 -4.043 1.00 61.34 H new ATOM 0 HH TYR A2038 -4.861 12.577 -4.432 1.00 11.12 H new ATOM 501 N ASN A2043 -8.305 14.037 4.122 1.00 55.42 N ATOM 502 CA ASN A2043 -7.202 13.986 5.067 1.00 71.33 C ATOM 503 C ASN A2043 -6.296 12.804 4.722 1.00 2.54 C ATOM 504 O ASN A2043 -6.637 11.655 4.998 1.00 41.41 O ATOM 505 CB ASN A2043 -7.712 13.790 6.497 1.00 51.23 C ATOM 506 CG ASN A2043 -7.725 15.116 7.260 1.00 40.54 C ATOM 507 OD1 ASN A2043 -7.811 16.191 6.688 1.00 33.12 O ATOM 508 ND2 ASN A2043 -7.634 14.982 8.580 1.00 4.33 N ATOM 0 HA ASN A2043 -6.658 14.929 5.004 1.00 71.33 H new ATOM 0 HB2 ASN A2043 -8.717 13.369 6.474 1.00 51.23 H new ATOM 0 HB3 ASN A2043 -7.078 13.072 7.018 1.00 51.23 H new ATOM 0 HD21 ASN A2043 -7.633 15.809 9.178 1.00 4.33 H new ATOM 0 HD22 ASN A2043 -7.565 14.053 8.995 1.00 4.33 H new ATOM 515 N VAL A2044 -5.157 13.126 4.127 1.00 75.41 N ATOM 516 CA VAL A2044 -4.198 12.105 3.742 1.00 0.22 C ATOM 517 C VAL A2044 -3.728 11.354 4.991 1.00 53.33 C ATOM 518 O VAL A2044 -3.314 10.201 4.908 1.00 13.11 O ATOM 519 CB VAL A2044 -3.047 12.737 2.957 1.00 72.21 C ATOM 520 CG1 VAL A2044 -1.881 11.756 2.810 1.00 72.11 C ATOM 521 CG2 VAL A2044 -3.523 13.230 1.590 1.00 63.13 C ATOM 0 H VAL A2044 -4.877 14.081 3.902 1.00 75.41 H new ATOM 0 HA VAL A2044 -4.664 11.375 3.080 1.00 0.22 H new ATOM 0 HB VAL A2044 -2.691 13.600 3.520 1.00 72.21 H new ATOM 0 HG11 VAL A2044 -1.076 12.229 2.248 1.00 72.11 H new ATOM 0 HG12 VAL A2044 -1.517 11.473 3.798 1.00 72.11 H new ATOM 0 HG13 VAL A2044 -2.219 10.866 2.279 1.00 72.11 H new ATOM 0 HG21 VAL A2044 -2.686 13.675 1.052 1.00 63.13 H new ATOM 0 HG22 VAL A2044 -3.917 12.390 1.017 1.00 63.13 H new ATOM 0 HG23 VAL A2044 -4.306 13.977 1.725 1.00 63.13 H new ATOM 531 N LYS A2045 -3.810 12.044 6.120 1.00 1.01 N ATOM 532 CA LYS A2045 -3.399 11.458 7.387 1.00 65.11 C ATOM 533 C LYS A2045 -4.071 10.093 7.555 1.00 5.43 C ATOM 534 O LYS A2045 -3.490 9.178 8.134 1.00 21.45 O ATOM 535 CB LYS A2045 -3.675 12.424 8.539 1.00 12.43 C ATOM 536 CG LYS A2045 -5.176 12.665 8.706 1.00 65.42 C ATOM 537 CD LYS A2045 -5.620 12.380 10.144 1.00 11.34 C ATOM 538 CE LYS A2045 -5.425 13.611 11.032 1.00 44.44 C ATOM 539 NZ LYS A2045 -4.012 13.726 11.457 1.00 70.21 N ATOM 0 H LYS A2045 -4.154 13.002 6.185 1.00 1.01 H new ATOM 0 HA LYS A2045 -2.322 11.287 7.396 1.00 65.11 H new ATOM 0 HB2 LYS A2045 -3.263 12.020 9.464 1.00 12.43 H new ATOM 0 HB3 LYS A2045 -3.170 13.372 8.352 1.00 12.43 H new ATOM 0 HG2 LYS A2045 -5.414 13.696 8.446 1.00 65.42 H new ATOM 0 HG3 LYS A2045 -5.729 12.027 8.017 1.00 65.42 H new ATOM 0 HD2 LYS A2045 -6.669 12.083 10.153 1.00 11.34 H new ATOM 0 HD3 LYS A2045 -5.049 11.543 10.546 1.00 11.34 H new ATOM 0 HE2 LYS A2045 -5.722 14.509 10.489 1.00 44.44 H new ATOM 0 HE3 LYS A2045 -6.070 13.540 11.908 1.00 44.44 H new ATOM 0 HZ1 LYS A2045 -3.941 14.399 12.247 1.00 70.21 H new ATOM 0 HZ2 LYS A2045 -3.665 12.795 11.763 1.00 70.21 H new ATOM 0 HZ3 LYS A2045 -3.436 14.066 10.660 1.00 70.21 H new ATOM 552 N GLY A2046 -5.287 10.001 7.034 1.00 23.15 N ATOM 553 CA GLY A2046 -6.044 8.764 7.119 1.00 2.33 C ATOM 554 C GLY A2046 -5.341 7.636 6.359 1.00 53.44 C ATOM 555 O GLY A2046 -5.085 6.571 6.918 1.00 52.21 O ATOM 0 H GLY A2046 -5.765 10.762 6.552 1.00 23.15 H new ATOM 0 HA2 GLY A2046 -6.168 8.481 8.164 1.00 2.33 H new ATOM 0 HA3 GLY A2046 -7.043 8.916 6.709 1.00 2.33 H new ATOM 559 N MET A2047 -5.048 7.912 5.095 1.00 32.41 N ATOM 560 CA MET A2047 -4.381 6.934 4.254 1.00 45.42 C ATOM 561 C MET A2047 -3.102 6.420 4.918 1.00 2.21 C ATOM 562 O MET A2047 -2.816 5.225 4.879 1.00 20.11 O ATOM 563 CB MET A2047 -4.036 7.573 2.907 1.00 4.21 C ATOM 564 CG MET A2047 -3.077 6.685 2.109 1.00 13.33 C ATOM 565 SD MET A2047 -1.389 7.042 2.572 1.00 33.11 S ATOM 566 CE MET A2047 -1.349 8.801 2.269 1.00 4.25 C ATOM 0 H MET A2047 -5.260 8.797 4.635 1.00 32.41 H new ATOM 0 HA MET A2047 -5.054 6.090 4.105 1.00 45.42 H new ATOM 0 HB2 MET A2047 -4.948 7.737 2.334 1.00 4.21 H new ATOM 0 HB3 MET A2047 -3.582 8.551 3.070 1.00 4.21 H new ATOM 0 HG2 MET A2047 -3.300 5.635 2.296 1.00 13.33 H new ATOM 0 HG3 MET A2047 -3.214 6.855 1.041 1.00 13.33 H new ATOM 0 HE1 MET A2047 -0.425 9.060 1.752 1.00 4.25 H new ATOM 0 HE2 MET A2047 -2.202 9.083 1.651 1.00 4.25 H new ATOM 0 HE3 MET A2047 -1.396 9.335 3.218 1.00 4.25 H new ATOM 576 N PHE A2048 -2.368 7.349 5.513 1.00 25.14 N ATOM 577 CA PHE A2048 -1.127 7.004 6.184 1.00 13.44 C ATOM 578 C PHE A2048 -1.395 6.169 7.438 1.00 31.32 C ATOM 579 O PHE A2048 -0.635 5.254 7.753 1.00 42.11 O ATOM 580 CB PHE A2048 -0.461 8.319 6.595 1.00 13.10 C ATOM 581 CG PHE A2048 0.105 9.125 5.423 1.00 24.04 C ATOM 582 CD1 PHE A2048 0.719 8.484 4.393 1.00 35.43 C ATOM 583 CD2 PHE A2048 -0.008 10.480 5.411 1.00 61.30 C ATOM 584 CE1 PHE A2048 1.244 9.231 3.305 1.00 62.33 C ATOM 585 CE2 PHE A2048 0.515 11.226 4.324 1.00 41.32 C ATOM 586 CZ PHE A2048 1.130 10.587 3.293 1.00 11.43 C ATOM 0 H PHE A2048 -2.609 8.340 5.544 1.00 25.14 H new ATOM 0 HA PHE A2048 -0.494 6.417 5.518 1.00 13.44 H new ATOM 0 HB2 PHE A2048 -1.189 8.932 7.126 1.00 13.10 H new ATOM 0 HB3 PHE A2048 0.345 8.102 7.296 1.00 13.10 H new ATOM 0 HD1 PHE A2048 0.807 7.408 4.402 1.00 35.43 H new ATOM 0 HD2 PHE A2048 -0.496 10.988 6.229 1.00 61.30 H new ATOM 0 HE1 PHE A2048 1.734 8.723 2.487 1.00 62.33 H new ATOM 0 HE2 PHE A2048 0.425 12.302 4.315 1.00 41.32 H new ATOM 0 HZ PHE A2048 1.528 11.155 2.465 1.00 11.43 H new ATOM 596 N GLU A2049 -2.478 6.514 8.119 1.00 53.42 N ATOM 597 CA GLU A2049 -2.855 5.807 9.331 1.00 74.24 C ATOM 598 C GLU A2049 -3.478 4.454 8.984 1.00 31.15 C ATOM 599 O GLU A2049 -3.629 3.595 9.852 1.00 41.00 O ATOM 600 CB GLU A2049 -3.810 6.649 10.181 1.00 34.41 C ATOM 601 CG GLU A2049 -3.156 7.967 10.597 1.00 44.24 C ATOM 602 CD GLU A2049 -4.212 9.046 10.846 1.00 74.24 C ATOM 603 OE1 GLU A2049 -3.991 9.952 11.665 1.00 11.32 O ATOM 604 OE2 GLU A2049 -5.295 8.923 10.157 1.00 61.31 O ATOM 0 H GLU A2049 -3.106 7.273 7.855 1.00 53.42 H new ATOM 0 HA GLU A2049 -1.956 5.630 9.921 1.00 74.24 H new ATOM 0 HB2 GLU A2049 -4.721 6.853 9.618 1.00 34.41 H new ATOM 0 HB3 GLU A2049 -4.103 6.088 11.069 1.00 34.41 H new ATOM 0 HG2 GLU A2049 -2.565 7.815 11.500 1.00 44.24 H new ATOM 0 HG3 GLU A2049 -2.469 8.298 9.819 1.00 44.24 H new ATOM 612 N VAL A2050 -3.823 4.304 7.714 1.00 44.32 N ATOM 613 CA VAL A2050 -4.426 3.071 7.241 1.00 43.24 C ATOM 614 C VAL A2050 -3.323 2.063 6.914 1.00 32.24 C ATOM 615 O VAL A2050 -3.425 0.889 7.270 1.00 31.11 O ATOM 616 CB VAL A2050 -5.343 3.359 6.051 1.00 42.20 C ATOM 617 CG1 VAL A2050 -5.640 2.080 5.265 1.00 2.34 C ATOM 618 CG2 VAL A2050 -6.639 4.033 6.508 1.00 74.52 C ATOM 0 H VAL A2050 -3.696 5.018 6.997 1.00 44.32 H new ATOM 0 HA VAL A2050 -5.052 2.630 8.017 1.00 43.24 H new ATOM 0 HB VAL A2050 -4.822 4.048 5.386 1.00 42.20 H new ATOM 0 HG11 VAL A2050 -6.294 2.313 4.425 1.00 2.34 H new ATOM 0 HG12 VAL A2050 -4.707 1.657 4.893 1.00 2.34 H new ATOM 0 HG13 VAL A2050 -6.131 1.358 5.917 1.00 2.34 H new ATOM 0 HG21 VAL A2050 -7.273 4.227 5.643 1.00 74.52 H new ATOM 0 HG22 VAL A2050 -7.164 3.378 7.203 1.00 74.52 H new ATOM 0 HG23 VAL A2050 -6.404 4.975 7.004 1.00 74.52 H new ATOM 628 N LEU A2051 -2.294 2.555 6.241 1.00 11.41 N ATOM 629 CA LEU A2051 -1.174 1.713 5.862 1.00 65.54 C ATOM 630 C LEU A2051 -0.289 1.467 7.087 1.00 11.51 C ATOM 631 O LEU A2051 0.124 0.337 7.343 1.00 53.52 O ATOM 632 CB LEU A2051 -0.426 2.316 4.673 1.00 4.53 C ATOM 633 CG LEU A2051 -1.247 2.529 3.401 1.00 25.01 C ATOM 634 CD1 LEU A2051 -2.738 2.306 3.667 1.00 11.11 C ATOM 635 CD2 LEU A2051 -0.974 3.907 2.794 1.00 73.42 C ATOM 0 H LEU A2051 -2.213 3.529 5.948 1.00 11.41 H new ATOM 0 HA LEU A2051 -1.528 0.739 5.523 1.00 65.54 H new ATOM 0 HB2 LEU A2051 -0.012 3.277 4.979 1.00 4.53 H new ATOM 0 HB3 LEU A2051 0.417 1.668 4.433 1.00 4.53 H new ATOM 0 HG LEU A2051 -0.935 1.787 2.666 1.00 25.01 H new ATOM 0 HD11 LEU A2051 -3.299 2.464 2.746 1.00 11.11 H new ATOM 0 HD12 LEU A2051 -2.896 1.286 4.018 1.00 11.11 H new ATOM 0 HD13 LEU A2051 -3.081 3.009 4.426 1.00 11.11 H new ATOM 0 HD21 LEU A2051 -1.571 4.031 1.891 1.00 73.42 H new ATOM 0 HD22 LEU A2051 -1.240 4.681 3.514 1.00 73.42 H new ATOM 0 HD23 LEU A2051 0.084 3.992 2.544 1.00 73.42 H new ATOM 647 N GLU A2052 -0.024 2.546 7.810 1.00 14.45 N ATOM 648 CA GLU A2052 0.805 2.461 9.000 1.00 53.33 C ATOM 649 C GLU A2052 0.565 1.135 9.723 1.00 73.22 C ATOM 650 O GLU A2052 1.503 0.380 9.971 1.00 32.43 O ATOM 651 CB GLU A2052 0.548 3.649 9.932 1.00 64.20 C ATOM 652 CG GLU A2052 1.740 4.605 9.944 1.00 13.44 C ATOM 653 CD GLU A2052 2.539 4.471 11.242 1.00 41.44 C ATOM 654 OE1 GLU A2052 2.492 3.416 11.892 1.00 42.24 O ATOM 655 OE2 GLU A2052 3.227 5.512 11.568 1.00 21.31 O ATOM 0 H GLU A2052 -0.368 3.482 7.595 1.00 14.45 H new ATOM 0 HA GLU A2052 1.850 2.499 8.694 1.00 53.33 H new ATOM 0 HB2 GLU A2052 -0.346 4.182 9.609 1.00 64.20 H new ATOM 0 HB3 GLU A2052 0.357 3.288 10.943 1.00 64.20 H new ATOM 0 HG2 GLU A2052 2.387 4.396 9.092 1.00 13.44 H new ATOM 0 HG3 GLU A2052 1.389 5.631 9.834 1.00 13.44 H new ATOM 663 N PRO A2053 -0.732 0.884 10.048 1.00 13.32 N ATOM 664 CA PRO A2053 -1.109 -0.338 10.737 1.00 23.10 C ATOM 665 C PRO A2053 -1.080 -1.535 9.785 1.00 62.10 C ATOM 666 O PRO A2053 -0.470 -2.558 10.087 1.00 12.23 O ATOM 667 CB PRO A2053 -2.492 -0.061 11.302 1.00 40.34 C ATOM 668 CG PRO A2053 -3.032 1.127 10.520 1.00 60.12 C ATOM 669 CD PRO A2053 -1.870 1.756 9.768 1.00 75.12 C ATOM 0 HA PRO A2053 -0.414 -0.603 11.534 1.00 23.10 H new ATOM 0 HB2 PRO A2053 -3.141 -0.930 11.190 1.00 40.34 H new ATOM 0 HB3 PRO A2053 -2.441 0.163 12.367 1.00 40.34 H new ATOM 0 HG2 PRO A2053 -3.808 0.806 9.825 1.00 60.12 H new ATOM 0 HG3 PRO A2053 -3.488 1.852 11.194 1.00 60.12 H new ATOM 0 HD2 PRO A2053 -2.073 1.811 8.699 1.00 75.12 H new ATOM 0 HD3 PRO A2053 -1.682 2.774 10.109 1.00 75.12 H new ATOM 677 N LEU A2054 -1.748 -1.366 8.653 1.00 64.12 N ATOM 678 CA LEU A2054 -1.806 -2.420 7.654 1.00 33.13 C ATOM 679 C LEU A2054 -0.395 -2.944 7.389 1.00 31.22 C ATOM 680 O LEU A2054 -0.136 -4.139 7.525 1.00 32.05 O ATOM 681 CB LEU A2054 -2.527 -1.927 6.398 1.00 23.13 C ATOM 682 CG LEU A2054 -4.040 -2.154 6.358 1.00 53.14 C ATOM 683 CD1 LEU A2054 -4.588 -2.436 7.759 1.00 23.11 C ATOM 684 CD2 LEU A2054 -4.754 -0.976 5.690 1.00 62.01 C ATOM 0 H LEU A2054 -2.254 -0.515 8.406 1.00 64.12 H new ATOM 0 HA LEU A2054 -2.394 -3.262 8.021 1.00 33.13 H new ATOM 0 HB2 LEU A2054 -2.337 -0.859 6.290 1.00 23.13 H new ATOM 0 HB3 LEU A2054 -2.083 -2.419 5.532 1.00 23.13 H new ATOM 0 HG LEU A2054 -4.238 -3.037 5.750 1.00 53.14 H new ATOM 0 HD11 LEU A2054 -5.665 -2.594 7.703 1.00 23.11 H new ATOM 0 HD12 LEU A2054 -4.111 -3.329 8.163 1.00 23.11 H new ATOM 0 HD13 LEU A2054 -4.379 -1.587 8.409 1.00 23.11 H new ATOM 0 HD21 LEU A2054 -5.828 -1.163 5.675 1.00 62.01 H new ATOM 0 HD22 LEU A2054 -4.552 -0.063 6.251 1.00 62.01 H new ATOM 0 HD23 LEU A2054 -4.391 -0.862 4.669 1.00 62.01 H new ATOM 696 N HIS A2055 0.483 -2.026 7.014 1.00 53.33 N ATOM 697 CA HIS A2055 1.862 -2.380 6.728 1.00 40.41 C ATOM 698 C HIS A2055 2.495 -3.018 7.966 1.00 30.22 C ATOM 699 O HIS A2055 3.060 -4.108 7.885 1.00 63.34 O ATOM 700 CB HIS A2055 2.643 -1.163 6.224 1.00 63.33 C ATOM 701 CG HIS A2055 2.306 -0.762 4.807 1.00 55.32 C ATOM 702 ND1 HIS A2055 3.086 0.112 4.070 1.00 12.21 N ATOM 703 CD2 HIS A2055 1.266 -1.123 4.002 1.00 14.34 C ATOM 704 CE1 HIS A2055 2.532 0.262 2.877 1.00 42.15 C ATOM 705 NE2 HIS A2055 1.403 -0.503 2.837 1.00 12.31 N ATOM 0 H HIS A2055 0.265 -1.036 6.902 1.00 53.33 H new ATOM 0 HA HIS A2055 1.893 -3.117 5.925 1.00 40.41 H new ATOM 0 HB2 HIS A2055 2.448 -0.319 6.886 1.00 63.33 H new ATOM 0 HB3 HIS A2055 3.710 -1.377 6.286 1.00 63.33 H new ATOM 0 HD2 HIS A2055 0.467 -1.799 4.268 1.00 14.34 H new ATOM 0 HE1 HIS A2055 2.908 0.881 2.076 1.00 42.15 H new ATOM 0 HE2 HIS A2055 0.769 -0.585 2.042 1.00 12.31 H new ATOM 714 N ALA A2056 2.380 -2.312 9.081 1.00 2.15 N ATOM 715 CA ALA A2056 2.934 -2.797 10.334 1.00 21.22 C ATOM 716 C ALA A2056 2.443 -4.224 10.585 1.00 32.23 C ATOM 717 O ALA A2056 3.238 -5.118 10.870 1.00 33.42 O ATOM 718 CB ALA A2056 2.552 -1.841 11.465 1.00 53.51 C ATOM 0 H ALA A2056 1.912 -1.408 9.143 1.00 2.15 H new ATOM 0 HA ALA A2056 4.023 -2.827 10.287 1.00 21.22 H new ATOM 0 HB1 ALA A2056 2.967 -2.205 12.405 1.00 53.51 H new ATOM 0 HB2 ALA A2056 2.950 -0.849 11.252 1.00 53.51 H new ATOM 0 HB3 ALA A2056 1.466 -1.787 11.545 1.00 53.51 H new ATOM 724 N MET A2057 1.135 -4.393 10.471 1.00 65.54 N ATOM 725 CA MET A2057 0.527 -5.697 10.683 1.00 41.21 C ATOM 726 C MET A2057 1.230 -6.772 9.851 1.00 50.35 C ATOM 727 O MET A2057 1.397 -7.902 10.304 1.00 22.13 O ATOM 728 CB MET A2057 -0.953 -5.640 10.297 1.00 3.41 C ATOM 729 CG MET A2057 -1.279 -6.676 9.219 1.00 44.42 C ATOM 730 SD MET A2057 -3.038 -6.714 8.921 1.00 2.41 S ATOM 731 CE MET A2057 -3.050 -7.070 7.171 1.00 14.35 C ATOM 0 H MET A2057 0.478 -3.649 10.235 1.00 65.54 H new ATOM 0 HA MET A2057 0.627 -5.956 11.737 1.00 41.21 H new ATOM 0 HB2 MET A2057 -1.569 -5.820 11.178 1.00 3.41 H new ATOM 0 HB3 MET A2057 -1.200 -4.642 9.934 1.00 3.41 H new ATOM 0 HG2 MET A2057 -0.751 -6.432 8.297 1.00 44.42 H new ATOM 0 HG3 MET A2057 -0.934 -7.661 9.533 1.00 44.42 H new ATOM 0 HE1 MET A2057 -4.074 -7.251 6.844 1.00 14.35 H new ATOM 0 HE2 MET A2057 -2.639 -6.221 6.624 1.00 14.35 H new ATOM 0 HE3 MET A2057 -2.445 -7.955 6.976 1.00 14.35 H new ATOM 741 N MET A2058 1.625 -6.378 8.647 1.00 20.15 N ATOM 742 CA MET A2058 2.307 -7.295 7.748 1.00 72.22 C ATOM 743 C MET A2058 3.704 -7.637 8.270 1.00 30.12 C ATOM 744 O MET A2058 4.194 -8.745 8.061 1.00 55.22 O ATOM 745 CB MET A2058 2.421 -6.658 6.362 1.00 51.41 C ATOM 746 CG MET A2058 1.039 -6.339 5.789 1.00 4.20 C ATOM 747 SD MET A2058 0.661 -7.455 4.450 1.00 2.23 S ATOM 748 CE MET A2058 -1.042 -7.831 4.827 1.00 75.24 C ATOM 0 H MET A2058 1.486 -5.439 8.275 1.00 20.15 H new ATOM 0 HA MET A2058 1.727 -8.216 7.688 1.00 72.22 H new ATOM 0 HB2 MET A2058 3.012 -5.744 6.425 1.00 51.41 H new ATOM 0 HB3 MET A2058 2.950 -7.334 5.690 1.00 51.41 H new ATOM 0 HG2 MET A2058 0.284 -6.426 6.570 1.00 4.20 H new ATOM 0 HG3 MET A2058 1.013 -5.309 5.433 1.00 4.20 H new ATOM 0 HE1 MET A2058 -1.559 -8.129 3.915 1.00 75.24 H new ATOM 0 HE2 MET A2058 -1.083 -8.646 5.550 1.00 75.24 H new ATOM 0 HE3 MET A2058 -1.525 -6.949 5.247 1.00 75.24 H new ATOM 758 N GLU A2059 4.305 -6.664 8.939 1.00 4.51 N ATOM 759 CA GLU A2059 5.636 -6.848 9.492 1.00 74.32 C ATOM 760 C GLU A2059 5.568 -7.688 10.771 1.00 15.11 C ATOM 761 O GLU A2059 6.104 -8.792 10.821 1.00 24.33 O ATOM 762 CB GLU A2059 6.312 -5.502 9.757 1.00 31.41 C ATOM 763 CG GLU A2059 5.938 -4.481 8.680 1.00 12.41 C ATOM 764 CD GLU A2059 7.012 -3.398 8.555 1.00 0.21 C ATOM 765 OE1 GLU A2059 8.098 -3.662 8.017 1.00 31.43 O ATOM 766 OE2 GLU A2059 6.686 -2.248 9.041 1.00 0.42 O ATOM 0 H GLU A2059 3.895 -5.746 9.111 1.00 4.51 H new ATOM 0 HA GLU A2059 6.241 -7.383 8.760 1.00 74.32 H new ATOM 0 HB2 GLU A2059 6.015 -5.128 10.737 1.00 31.41 H new ATOM 0 HB3 GLU A2059 7.394 -5.632 9.780 1.00 31.41 H new ATOM 0 HG2 GLU A2059 5.813 -4.986 7.722 1.00 12.41 H new ATOM 0 HG3 GLU A2059 4.980 -4.022 8.926 1.00 12.41 H new ATOM 774 N ARG A2060 4.903 -7.130 11.772 1.00 32.02 N ATOM 775 CA ARG A2060 4.759 -7.814 13.046 1.00 73.02 C ATOM 776 C ARG A2060 3.801 -8.999 12.907 1.00 22.12 C ATOM 777 O ARG A2060 3.779 -9.885 13.760 1.00 73.44 O ATOM 778 CB ARG A2060 4.230 -6.864 14.124 1.00 62.24 C ATOM 779 CG ARG A2060 2.816 -6.388 13.787 1.00 73.55 C ATOM 780 CD ARG A2060 2.293 -5.425 14.855 1.00 65.23 C ATOM 781 NE ARG A2060 1.544 -6.171 15.889 1.00 63.45 N ATOM 782 CZ ARG A2060 2.107 -6.713 16.989 1.00 52.35 C ATOM 783 NH1 ARG A2060 3.434 -6.593 17.208 1.00 51.23 N ATOM 784 NH2 ARG A2060 1.342 -7.360 17.849 1.00 42.35 N ATOM 0 H ARG A2060 4.458 -6.213 11.727 1.00 32.02 H new ATOM 0 HA ARG A2060 5.745 -8.172 13.344 1.00 73.02 H new ATOM 0 HB2 ARG A2060 4.227 -7.369 15.090 1.00 62.24 H new ATOM 0 HB3 ARG A2060 4.895 -6.005 14.215 1.00 62.24 H new ATOM 0 HG2 ARG A2060 2.817 -5.894 12.815 1.00 73.55 H new ATOM 0 HG3 ARG A2060 2.149 -7.246 13.708 1.00 73.55 H new ATOM 0 HD2 ARG A2060 3.125 -4.890 15.313 1.00 65.23 H new ATOM 0 HD3 ARG A2060 1.647 -4.677 14.396 1.00 65.23 H new ATOM 0 HE ARG A2060 0.538 -6.283 15.763 1.00 63.45 H new ATOM 0 HH11 ARG A2060 4.018 -6.090 16.540 1.00 51.23 H new ATOM 0 HH12 ARG A2060 3.853 -7.005 18.042 1.00 51.23 H new ATOM 0 HH21 ARG A2060 0.340 -7.445 17.677 1.00 42.35 H new ATOM 0 HH22 ARG A2060 1.753 -7.775 18.685 1.00 42.35 H new ATOM 796 N GLY A2061 3.036 -8.977 11.825 1.00 13.42 N ATOM 797 CA GLY A2061 2.081 -10.040 11.563 1.00 14.15 C ATOM 798 C GLY A2061 2.383 -10.733 10.235 1.00 22.11 C ATOM 799 O GLY A2061 1.698 -10.501 9.238 1.00 14.35 O ATOM 0 H GLY A2061 3.058 -8.240 11.120 1.00 13.42 H new ATOM 0 HA2 GLY A2061 2.112 -10.769 12.373 1.00 14.15 H new ATOM 0 HA3 GLY A2061 1.071 -9.630 11.542 1.00 14.15 H new ATOM 803 N PRO A2062 3.435 -11.596 10.261 1.00 53.40 N ATOM 804 CA PRO A2062 3.836 -12.325 9.070 1.00 14.51 C ATOM 805 C PRO A2062 2.864 -13.467 8.773 1.00 62.12 C ATOM 806 O PRO A2062 1.739 -13.475 9.272 1.00 62.33 O ATOM 807 CB PRO A2062 5.248 -12.805 9.362 1.00 25.13 C ATOM 808 CG PRO A2062 5.412 -12.730 10.869 1.00 34.15 C ATOM 809 CD PRO A2062 4.268 -11.896 11.423 1.00 64.44 C ATOM 0 HA PRO A2062 3.817 -11.708 8.171 1.00 14.51 H new ATOM 0 HB2 PRO A2062 5.396 -13.824 9.004 1.00 25.13 H new ATOM 0 HB3 PRO A2062 5.985 -12.180 8.858 1.00 25.13 H new ATOM 0 HG2 PRO A2062 5.401 -13.729 11.304 1.00 34.15 H new ATOM 0 HG3 PRO A2062 6.371 -12.281 11.126 1.00 34.15 H new ATOM 0 HD2 PRO A2062 3.709 -12.444 12.181 1.00 64.44 H new ATOM 0 HD3 PRO A2062 4.634 -10.984 11.894 1.00 64.44 H new ATOM 817 N GLN A2063 3.333 -14.405 7.964 1.00 61.51 N ATOM 818 CA GLN A2063 2.519 -15.551 7.596 1.00 42.24 C ATOM 819 C GLN A2063 3.407 -16.757 7.288 1.00 2.33 C ATOM 820 O GLN A2063 3.528 -17.669 8.105 1.00 21.25 O ATOM 821 CB GLN A2063 1.612 -15.221 6.407 1.00 12.41 C ATOM 822 CG GLN A2063 0.626 -16.359 6.137 1.00 71.12 C ATOM 823 CD GLN A2063 -0.793 -15.962 6.545 1.00 62.33 C ATOM 824 OE1 GLN A2063 -1.193 -14.812 6.462 1.00 71.12 O ATOM 825 NE2 GLN A2063 -1.532 -16.976 6.987 1.00 74.32 N ATOM 0 H GLN A2063 4.266 -14.395 7.553 1.00 61.51 H new ATOM 0 HA GLN A2063 1.879 -15.802 8.442 1.00 42.24 H new ATOM 0 HB2 GLN A2063 1.064 -14.300 6.608 1.00 12.41 H new ATOM 0 HB3 GLN A2063 2.220 -15.043 5.520 1.00 12.41 H new ATOM 0 HG2 GLN A2063 0.645 -16.618 5.078 1.00 71.12 H new ATOM 0 HG3 GLN A2063 0.932 -17.248 6.688 1.00 71.12 H new ATOM 0 HE21 GLN A2063 -1.136 -17.915 7.031 1.00 74.32 H new ATOM 0 HE22 GLN A2063 -2.495 -16.815 7.282 1.00 74.32 H new ATOM 834 N THR A2064 4.007 -16.724 6.107 1.00 33.02 N ATOM 835 CA THR A2064 4.882 -17.804 5.682 1.00 53.50 C ATOM 836 C THR A2064 5.873 -17.304 4.628 1.00 31.43 C ATOM 837 O THR A2064 5.849 -16.131 4.256 1.00 2.15 O ATOM 838 CB THR A2064 4.004 -18.958 5.191 1.00 35.24 C ATOM 839 OG1 THR A2064 3.154 -18.358 4.220 1.00 65.13 O ATOM 840 CG2 THR A2064 3.043 -19.461 6.270 1.00 73.00 C ATOM 0 H THR A2064 3.905 -15.967 5.431 1.00 33.02 H new ATOM 0 HA THR A2064 5.491 -18.168 6.509 1.00 53.50 H new ATOM 0 HB THR A2064 4.637 -19.780 4.857 1.00 35.24 H new ATOM 0 HG1 THR A2064 2.552 -19.036 3.848 1.00 65.13 H new ATOM 0 HG21 THR A2064 2.444 -20.279 5.871 1.00 73.00 H new ATOM 0 HG22 THR A2064 3.613 -19.815 7.129 1.00 73.00 H new ATOM 0 HG23 THR A2064 2.387 -18.648 6.580 1.00 73.00 H new ATOM 848 N LEU A2065 6.719 -18.218 4.176 1.00 61.22 N ATOM 849 CA LEU A2065 7.715 -17.884 3.172 1.00 33.40 C ATOM 850 C LEU A2065 7.013 -17.387 1.909 1.00 40.21 C ATOM 851 O LEU A2065 7.575 -16.596 1.153 1.00 3.41 O ATOM 852 CB LEU A2065 8.649 -19.073 2.931 1.00 32.10 C ATOM 853 CG LEU A2065 10.136 -18.737 2.785 1.00 25.33 C ATOM 854 CD1 LEU A2065 10.357 -17.684 1.698 1.00 23.24 C ATOM 855 CD2 LEU A2065 10.735 -18.312 4.126 1.00 75.11 C ATOM 0 H LEU A2065 6.735 -19.189 4.486 1.00 61.22 H new ATOM 0 HA LEU A2065 8.353 -17.072 3.521 1.00 33.40 H new ATOM 0 HB2 LEU A2065 8.534 -19.774 3.758 1.00 32.10 H new ATOM 0 HB3 LEU A2065 8.323 -19.589 2.028 1.00 32.10 H new ATOM 0 HG LEU A2065 10.661 -19.639 2.469 1.00 25.33 H new ATOM 0 HD11 LEU A2065 11.421 -17.464 1.615 1.00 23.24 H new ATOM 0 HD12 LEU A2065 9.990 -18.063 0.744 1.00 23.24 H new ATOM 0 HD13 LEU A2065 9.818 -16.773 1.959 1.00 23.24 H new ATOM 0 HD21 LEU A2065 11.792 -18.079 3.995 1.00 75.11 H new ATOM 0 HD22 LEU A2065 10.212 -17.430 4.495 1.00 75.11 H new ATOM 0 HD23 LEU A2065 10.629 -19.124 4.845 1.00 75.11 H new ATOM 867 N LYS A2066 5.793 -17.867 1.719 1.00 20.12 N ATOM 868 CA LYS A2066 5.008 -17.481 0.559 1.00 53.45 C ATOM 869 C LYS A2066 4.701 -15.984 0.633 1.00 31.34 C ATOM 870 O LYS A2066 4.655 -15.304 -0.391 1.00 23.21 O ATOM 871 CB LYS A2066 3.761 -18.359 0.440 1.00 42.52 C ATOM 872 CG LYS A2066 3.771 -19.153 -0.869 1.00 42.52 C ATOM 873 CD LYS A2066 2.616 -18.728 -1.777 1.00 54.24 C ATOM 874 CE LYS A2066 3.082 -17.702 -2.813 1.00 31.14 C ATOM 875 NZ LYS A2066 2.042 -17.501 -3.847 1.00 52.41 N ATOM 0 H LYS A2066 5.328 -18.520 2.350 1.00 20.12 H new ATOM 0 HA LYS A2066 5.575 -17.646 -0.357 1.00 53.45 H new ATOM 0 HB2 LYS A2066 3.713 -19.045 1.285 1.00 42.52 H new ATOM 0 HB3 LYS A2066 2.868 -17.736 0.485 1.00 42.52 H new ATOM 0 HG2 LYS A2066 4.719 -18.999 -1.384 1.00 42.52 H new ATOM 0 HG3 LYS A2066 3.695 -20.219 -0.653 1.00 42.52 H new ATOM 0 HD2 LYS A2066 2.207 -19.602 -2.284 1.00 54.24 H new ATOM 0 HD3 LYS A2066 1.813 -18.303 -1.175 1.00 54.24 H new ATOM 0 HE2 LYS A2066 3.303 -16.754 -2.321 1.00 31.14 H new ATOM 0 HE3 LYS A2066 4.007 -18.042 -3.280 1.00 31.14 H new ATOM 0 HZ1 LYS A2066 2.374 -16.802 -4.542 1.00 52.41 H new ATOM 0 HZ2 LYS A2066 1.851 -18.403 -4.327 1.00 52.41 H new ATOM 0 HZ3 LYS A2066 1.169 -17.156 -3.399 1.00 52.41 H new ATOM 888 N GLU A2067 4.499 -15.513 1.855 1.00 60.40 N ATOM 889 CA GLU A2067 4.198 -14.109 2.075 1.00 54.40 C ATOM 890 C GLU A2067 5.488 -13.285 2.091 1.00 14.13 C ATOM 891 O GLU A2067 5.462 -12.079 1.855 1.00 44.24 O ATOM 892 CB GLU A2067 3.408 -13.913 3.371 1.00 32.21 C ATOM 893 CG GLU A2067 2.006 -13.376 3.081 1.00 55.43 C ATOM 894 CD GLU A2067 1.106 -14.469 2.501 1.00 11.34 C ATOM 895 OE1 GLU A2067 1.060 -15.584 3.041 1.00 0.24 O ATOM 896 OE2 GLU A2067 0.440 -14.128 1.450 1.00 32.13 O ATOM 0 H GLU A2067 4.538 -16.079 2.703 1.00 60.40 H new ATOM 0 HA GLU A2067 3.575 -13.759 1.252 1.00 54.40 H new ATOM 0 HB2 GLU A2067 3.335 -14.861 3.904 1.00 32.21 H new ATOM 0 HB3 GLU A2067 3.939 -13.220 4.024 1.00 32.21 H new ATOM 0 HG2 GLU A2067 1.565 -12.987 3.999 1.00 55.43 H new ATOM 0 HG3 GLU A2067 2.070 -12.544 2.380 1.00 55.43 H new ATOM 904 N THR A2068 6.586 -13.971 2.375 1.00 14.25 N ATOM 905 CA THR A2068 7.882 -13.318 2.424 1.00 33.25 C ATOM 906 C THR A2068 8.221 -12.695 1.068 1.00 61.54 C ATOM 907 O THR A2068 8.817 -11.622 1.005 1.00 13.25 O ATOM 908 CB THR A2068 8.914 -14.348 2.893 1.00 10.45 C ATOM 909 OG1 THR A2068 8.968 -14.167 4.305 1.00 23.13 O ATOM 910 CG2 THR A2068 10.331 -14.017 2.418 1.00 71.31 C ATOM 0 H THR A2068 6.604 -14.971 2.573 1.00 14.25 H new ATOM 0 HA THR A2068 7.879 -12.491 3.134 1.00 33.25 H new ATOM 0 HB THR A2068 8.632 -15.336 2.529 1.00 10.45 H new ATOM 0 HG1 THR A2068 9.612 -14.797 4.691 1.00 23.13 H new ATOM 0 HG21 THR A2068 11.023 -14.779 2.778 1.00 71.31 H new ATOM 0 HG22 THR A2068 10.353 -13.993 1.328 1.00 71.31 H new ATOM 0 HG23 THR A2068 10.628 -13.044 2.809 1.00 71.31 H new ATOM 918 N SER A2069 7.821 -13.395 0.016 1.00 10.32 N ATOM 919 CA SER A2069 8.074 -12.924 -1.335 1.00 61.22 C ATOM 920 C SER A2069 7.150 -11.748 -1.660 1.00 22.13 C ATOM 921 O SER A2069 7.523 -10.853 -2.416 1.00 42.32 O ATOM 922 CB SER A2069 7.881 -14.048 -2.354 1.00 44.20 C ATOM 923 OG SER A2069 8.929 -15.010 -2.292 1.00 22.04 O ATOM 0 H SER A2069 7.324 -14.284 0.072 1.00 10.32 H new ATOM 0 HA SER A2069 9.110 -12.591 -1.394 1.00 61.22 H new ATOM 0 HB2 SER A2069 6.926 -14.541 -2.174 1.00 44.20 H new ATOM 0 HB3 SER A2069 7.837 -13.624 -3.357 1.00 44.20 H new ATOM 0 HG SER A2069 8.768 -15.712 -2.957 1.00 22.04 H new ATOM 929 N PHE A2070 5.963 -11.790 -1.073 1.00 1.12 N ATOM 930 CA PHE A2070 4.984 -10.739 -1.290 1.00 43.12 C ATOM 931 C PHE A2070 5.463 -9.411 -0.700 1.00 32.15 C ATOM 932 O PHE A2070 5.479 -8.392 -1.389 1.00 65.41 O ATOM 933 CB PHE A2070 3.700 -11.168 -0.575 1.00 13.03 C ATOM 934 CG PHE A2070 2.569 -10.142 -0.659 1.00 73.32 C ATOM 935 CD1 PHE A2070 1.704 -10.169 -1.709 1.00 15.45 C ATOM 936 CD2 PHE A2070 2.427 -9.205 0.315 1.00 55.45 C ATOM 937 CE1 PHE A2070 0.653 -9.218 -1.787 1.00 62.01 C ATOM 938 CE2 PHE A2070 1.376 -8.252 0.237 1.00 62.11 C ATOM 939 CZ PHE A2070 0.512 -8.279 -0.813 1.00 60.44 C ATOM 0 H PHE A2070 5.657 -12.535 -0.447 1.00 1.12 H new ATOM 0 HA PHE A2070 4.826 -10.594 -2.359 1.00 43.12 H new ATOM 0 HB2 PHE A2070 3.355 -12.109 -1.003 1.00 13.03 H new ATOM 0 HB3 PHE A2070 3.927 -11.359 0.474 1.00 13.03 H new ATOM 0 HD1 PHE A2070 1.817 -10.914 -2.483 1.00 15.45 H new ATOM 0 HD2 PHE A2070 3.113 -9.185 1.149 1.00 55.45 H new ATOM 0 HE1 PHE A2070 -0.035 -9.240 -2.620 1.00 62.01 H new ATOM 0 HE2 PHE A2070 1.263 -7.507 1.011 1.00 62.11 H new ATOM 0 HZ PHE A2070 -0.287 -7.554 -0.874 1.00 60.44 H new ATOM 949 N ASN A2071 5.843 -9.466 0.567 1.00 31.13 N ATOM 950 CA ASN A2071 6.322 -8.281 1.257 1.00 72.21 C ATOM 951 C ASN A2071 7.640 -7.828 0.628 1.00 55.31 C ATOM 952 O ASN A2071 7.961 -6.641 0.639 1.00 42.44 O ATOM 953 CB ASN A2071 6.581 -8.572 2.738 1.00 61.03 C ATOM 954 CG ASN A2071 5.988 -7.475 3.624 1.00 41.34 C ATOM 955 OD1 ASN A2071 5.464 -6.477 3.155 1.00 61.54 O ATOM 956 ND2 ASN A2071 6.101 -7.712 4.928 1.00 42.14 N ATOM 0 H ASN A2071 5.829 -10.313 1.135 1.00 31.13 H new ATOM 0 HA ASN A2071 5.558 -7.508 1.169 1.00 72.21 H new ATOM 0 HB2 ASN A2071 6.145 -9.535 3.005 1.00 61.03 H new ATOM 0 HB3 ASN A2071 7.654 -8.647 2.915 1.00 61.03 H new ATOM 0 HD21 ASN A2071 5.738 -7.038 5.602 1.00 42.14 H new ATOM 0 HD22 ASN A2071 6.551 -8.568 5.254 1.00 42.14 H new ATOM 963 N GLN A2072 8.369 -8.797 0.092 1.00 74.24 N ATOM 964 CA GLN A2072 9.644 -8.511 -0.541 1.00 13.33 C ATOM 965 C GLN A2072 9.425 -7.931 -1.938 1.00 44.04 C ATOM 966 O GLN A2072 9.976 -6.883 -2.274 1.00 31.42 O ATOM 967 CB GLN A2072 10.520 -9.765 -0.598 1.00 61.23 C ATOM 968 CG GLN A2072 11.443 -9.844 0.619 1.00 21.04 C ATOM 969 CD GLN A2072 12.801 -9.204 0.320 1.00 40.50 C ATOM 970 OE1 GLN A2072 13.536 -9.628 -0.557 1.00 53.42 O ATOM 971 NE2 GLN A2072 13.090 -8.164 1.096 1.00 35.12 N ATOM 0 H GLN A2072 8.100 -9.781 0.084 1.00 74.24 H new ATOM 0 HA GLN A2072 10.168 -7.768 0.060 1.00 13.33 H new ATOM 0 HB2 GLN A2072 9.889 -10.653 -0.638 1.00 61.23 H new ATOM 0 HB3 GLN A2072 11.116 -9.756 -1.511 1.00 61.23 H new ATOM 0 HG2 GLN A2072 10.978 -9.340 1.466 1.00 21.04 H new ATOM 0 HG3 GLN A2072 11.583 -10.886 0.906 1.00 21.04 H new ATOM 0 HE21 GLN A2072 12.429 -7.862 1.811 1.00 35.12 H new ATOM 0 HE22 GLN A2072 13.973 -7.668 0.976 1.00 35.12 H new ATOM 980 N ALA A2073 8.619 -8.636 -2.718 1.00 33.45 N ATOM 981 CA ALA A2073 8.319 -8.205 -4.073 1.00 12.24 C ATOM 982 C ALA A2073 8.105 -6.689 -4.084 1.00 32.11 C ATOM 983 O ALA A2073 8.743 -5.974 -4.856 1.00 31.00 O ATOM 984 CB ALA A2073 7.102 -8.970 -4.596 1.00 12.11 C ATOM 0 H ALA A2073 8.164 -9.504 -2.437 1.00 33.45 H new ATOM 0 HA ALA A2073 9.152 -8.426 -4.740 1.00 12.24 H new ATOM 0 HB1 ALA A2073 6.878 -8.646 -5.612 1.00 12.11 H new ATOM 0 HB2 ALA A2073 7.316 -10.039 -4.595 1.00 12.11 H new ATOM 0 HB3 ALA A2073 6.244 -8.771 -3.954 1.00 12.11 H new ATOM 990 N TYR A2074 7.206 -6.244 -3.219 1.00 50.30 N ATOM 991 CA TYR A2074 6.900 -4.827 -3.121 1.00 11.21 C ATOM 992 C TYR A2074 7.762 -4.153 -2.049 1.00 64.53 C ATOM 993 O TYR A2074 7.887 -2.931 -2.029 1.00 72.21 O ATOM 994 CB TYR A2074 5.430 -4.742 -2.705 1.00 53.13 C ATOM 995 CG TYR A2074 4.494 -5.616 -3.541 1.00 54.43 C ATOM 996 CD1 TYR A2074 4.484 -5.495 -4.916 1.00 74.32 C ATOM 997 CD2 TYR A2074 3.660 -6.524 -2.921 1.00 43.24 C ATOM 998 CE1 TYR A2074 3.603 -6.318 -5.703 1.00 61.42 C ATOM 999 CE2 TYR A2074 2.780 -7.347 -3.709 1.00 51.13 C ATOM 1000 CZ TYR A2074 2.793 -7.203 -5.061 1.00 12.53 C ATOM 1001 OH TYR A2074 1.962 -7.978 -5.806 1.00 21.55 O ATOM 0 H TYR A2074 6.680 -6.839 -2.580 1.00 50.30 H new ATOM 0 HA TYR A2074 7.096 -4.325 -4.068 1.00 11.21 H new ATOM 0 HB2 TYR A2074 5.342 -5.032 -1.658 1.00 53.13 H new ATOM 0 HB3 TYR A2074 5.102 -3.705 -2.777 1.00 53.13 H new ATOM 0 HD1 TYR A2074 5.136 -4.784 -5.401 1.00 74.32 H new ATOM 0 HD2 TYR A2074 3.667 -6.617 -1.845 1.00 43.24 H new ATOM 0 HE1 TYR A2074 3.585 -6.235 -6.780 1.00 61.42 H new ATOM 0 HE2 TYR A2074 2.124 -8.063 -3.237 1.00 51.13 H new ATOM 0 HH TYR A2074 1.624 -8.717 -5.258 1.00 21.55 H new ATOM 1011 N GLY A2075 8.331 -4.982 -1.186 1.00 25.31 N ATOM 1012 CA GLY A2075 9.176 -4.482 -0.116 1.00 3.54 C ATOM 1013 C GLY A2075 10.066 -3.338 -0.609 1.00 72.32 C ATOM 1014 O GLY A2075 10.422 -2.448 0.161 1.00 21.11 O ATOM 0 H GLY A2075 8.223 -5.996 -1.206 1.00 25.31 H new ATOM 0 HA2 GLY A2075 8.556 -4.135 0.710 1.00 3.54 H new ATOM 0 HA3 GLY A2075 9.797 -5.290 0.270 1.00 3.54 H new ATOM 1018 N ARG A2076 10.397 -3.399 -1.891 1.00 12.44 N ATOM 1019 CA ARG A2076 11.239 -2.379 -2.495 1.00 31.30 C ATOM 1020 C ARG A2076 10.406 -1.146 -2.847 1.00 12.01 C ATOM 1021 O ARG A2076 10.815 -0.018 -2.574 1.00 54.51 O ATOM 1022 CB ARG A2076 11.919 -2.905 -3.760 1.00 22.21 C ATOM 1023 CG ARG A2076 13.443 -2.865 -3.621 1.00 71.35 C ATOM 1024 CD ARG A2076 13.952 -1.423 -3.591 1.00 54.21 C ATOM 1025 NE ARG A2076 15.389 -1.386 -3.943 1.00 20.21 N ATOM 1026 CZ ARG A2076 15.857 -1.380 -5.209 1.00 14.33 C ATOM 1027 NH1 ARG A2076 15.006 -1.405 -6.255 1.00 3.44 N ATOM 1028 NH2 ARG A2076 17.163 -1.345 -5.407 1.00 12.34 N ATOM 0 H ARG A2076 10.098 -4.138 -2.528 1.00 12.44 H new ATOM 0 HA ARG A2076 12.007 -2.109 -1.770 1.00 31.30 H new ATOM 0 HB2 ARG A2076 11.595 -3.928 -3.953 1.00 22.21 H new ATOM 0 HB3 ARG A2076 11.613 -2.306 -4.618 1.00 22.21 H new ATOM 0 HG2 ARG A2076 13.742 -3.379 -2.708 1.00 71.35 H new ATOM 0 HG3 ARG A2076 13.902 -3.399 -4.453 1.00 71.35 H new ATOM 0 HD2 ARG A2076 13.382 -0.813 -4.291 1.00 54.21 H new ATOM 0 HD3 ARG A2076 13.801 -0.996 -2.600 1.00 54.21 H new ATOM 0 HE ARG A2076 16.068 -1.364 -3.182 1.00 20.21 H new ATOM 0 HH11 ARG A2076 13.999 -1.429 -6.093 1.00 3.44 H new ATOM 0 HH12 ARG A2076 15.369 -1.400 -7.208 1.00 3.44 H new ATOM 0 HH21 ARG A2076 17.799 -1.323 -4.610 1.00 12.34 H new ATOM 0 HH22 ARG A2076 17.535 -1.340 -6.357 1.00 12.34 H new ATOM 1040 N ASP A2077 9.254 -1.402 -3.448 1.00 53.23 N ATOM 1041 CA ASP A2077 8.359 -0.324 -3.839 1.00 64.32 C ATOM 1042 C ASP A2077 7.906 0.436 -2.593 1.00 55.55 C ATOM 1043 O ASP A2077 8.119 1.644 -2.487 1.00 32.41 O ATOM 1044 CB ASP A2077 7.112 -0.870 -4.539 1.00 34.25 C ATOM 1045 CG ASP A2077 7.257 -1.079 -6.048 1.00 61.34 C ATOM 1046 OD1 ASP A2077 7.331 -2.219 -6.530 1.00 0.33 O ATOM 1047 OD2 ASP A2077 7.294 0.004 -6.747 1.00 21.32 O ATOM 0 H ASP A2077 8.919 -2.338 -3.674 1.00 53.23 H new ATOM 0 HA ASP A2077 8.900 0.331 -4.523 1.00 64.32 H new ATOM 0 HB2 ASP A2077 6.843 -1.821 -4.080 1.00 34.25 H new ATOM 0 HB3 ASP A2077 6.284 -0.184 -4.360 1.00 34.25 H new ATOM 1053 N LEU A2078 7.290 -0.301 -1.679 1.00 43.21 N ATOM 1054 CA LEU A2078 6.806 0.292 -0.443 1.00 34.55 C ATOM 1055 C LEU A2078 7.947 1.052 0.234 1.00 22.41 C ATOM 1056 O LEU A2078 7.726 2.102 0.838 1.00 63.05 O ATOM 1057 CB LEU A2078 6.167 -0.777 0.446 1.00 34.40 C ATOM 1058 CG LEU A2078 4.727 -1.165 0.099 1.00 31.42 C ATOM 1059 CD1 LEU A2078 4.671 -1.936 -1.221 1.00 60.31 C ATOM 1060 CD2 LEU A2078 4.077 -1.942 1.246 1.00 5.43 C ATOM 0 H LEU A2078 7.115 -1.302 -1.770 1.00 43.21 H new ATOM 0 HA LEU A2078 6.019 1.017 -0.650 1.00 34.55 H new ATOM 0 HB2 LEU A2078 6.785 -1.674 0.403 1.00 34.40 H new ATOM 0 HB3 LEU A2078 6.189 -0.424 1.477 1.00 34.40 H new ATOM 0 HG LEU A2078 4.149 -0.251 -0.038 1.00 31.42 H new ATOM 0 HD11 LEU A2078 3.637 -2.200 -1.445 1.00 60.31 H new ATOM 0 HD12 LEU A2078 5.068 -1.314 -2.023 1.00 60.31 H new ATOM 0 HD13 LEU A2078 5.267 -2.845 -1.137 1.00 60.31 H new ATOM 0 HD21 LEU A2078 3.055 -2.205 0.974 1.00 5.43 H new ATOM 0 HD22 LEU A2078 4.647 -2.851 1.439 1.00 5.43 H new ATOM 0 HD23 LEU A2078 4.066 -1.324 2.144 1.00 5.43 H new ATOM 1072 N MET A2079 9.142 0.496 0.112 1.00 31.12 N ATOM 1073 CA MET A2079 10.318 1.110 0.705 1.00 21.14 C ATOM 1074 C MET A2079 10.497 2.545 0.207 1.00 73.23 C ATOM 1075 O MET A2079 10.605 3.474 1.007 1.00 13.33 O ATOM 1076 CB MET A2079 11.558 0.288 0.350 1.00 5.54 C ATOM 1077 CG MET A2079 12.215 -0.287 1.606 1.00 63.20 C ATOM 1078 SD MET A2079 12.931 -1.881 1.244 1.00 22.23 S ATOM 1079 CE MET A2079 12.021 -2.897 2.397 1.00 44.21 C ATOM 0 H MET A2079 9.322 -0.374 -0.389 1.00 31.12 H new ATOM 0 HA MET A2079 10.185 1.134 1.787 1.00 21.14 H new ATOM 0 HB2 MET A2079 11.280 -0.523 -0.323 1.00 5.54 H new ATOM 0 HB3 MET A2079 12.273 0.914 -0.184 1.00 5.54 H new ATOM 0 HG2 MET A2079 12.986 0.394 1.967 1.00 63.20 H new ATOM 0 HG3 MET A2079 11.476 -0.383 2.402 1.00 63.20 H new ATOM 0 HE1 MET A2079 12.008 -3.928 2.042 1.00 44.21 H new ATOM 0 HE2 MET A2079 12.500 -2.856 3.375 1.00 44.21 H new ATOM 0 HE3 MET A2079 10.998 -2.529 2.478 1.00 44.21 H new ATOM 1089 N GLU A2080 10.521 2.684 -1.109 1.00 42.22 N ATOM 1090 CA GLU A2080 10.685 3.990 -1.723 1.00 13.00 C ATOM 1091 C GLU A2080 9.407 4.816 -1.560 1.00 12.44 C ATOM 1092 O GLU A2080 9.469 6.028 -1.363 1.00 72.23 O ATOM 1093 CB GLU A2080 11.068 3.859 -3.197 1.00 2.40 C ATOM 1094 CG GLU A2080 9.825 3.732 -4.079 1.00 61.54 C ATOM 1095 CD GLU A2080 10.115 2.879 -5.317 1.00 54.12 C ATOM 1096 OE1 GLU A2080 9.269 2.070 -5.722 1.00 61.11 O ATOM 1097 OE2 GLU A2080 11.267 3.083 -5.860 1.00 3.32 O ATOM 0 H GLU A2080 10.429 1.912 -1.769 1.00 42.22 H new ATOM 0 HA GLU A2080 11.498 4.509 -1.216 1.00 13.00 H new ATOM 0 HB2 GLU A2080 11.648 4.729 -3.504 1.00 2.40 H new ATOM 0 HB3 GLU A2080 11.706 2.986 -3.334 1.00 2.40 H new ATOM 0 HG2 GLU A2080 9.013 3.284 -3.507 1.00 61.54 H new ATOM 0 HG3 GLU A2080 9.490 4.723 -4.386 1.00 61.54 H new ATOM 1105 N ALA A2081 8.280 4.126 -1.648 1.00 60.43 N ATOM 1106 CA ALA A2081 6.990 4.781 -1.513 1.00 52.14 C ATOM 1107 C ALA A2081 6.866 5.372 -0.107 1.00 15.01 C ATOM 1108 O ALA A2081 6.381 6.490 0.061 1.00 34.41 O ATOM 1109 CB ALA A2081 5.874 3.781 -1.825 1.00 71.14 C ATOM 0 H ALA A2081 8.233 3.120 -1.811 1.00 60.43 H new ATOM 0 HA ALA A2081 6.901 5.602 -2.224 1.00 52.14 H new ATOM 0 HB1 ALA A2081 4.906 4.272 -1.724 1.00 71.14 H new ATOM 0 HB2 ALA A2081 5.989 3.413 -2.845 1.00 71.14 H new ATOM 0 HB3 ALA A2081 5.930 2.944 -1.129 1.00 71.14 H new ATOM 1115 N GLN A2082 7.315 4.595 0.869 1.00 60.44 N ATOM 1116 CA GLN A2082 7.261 5.026 2.255 1.00 30.12 C ATOM 1117 C GLN A2082 8.180 6.230 2.473 1.00 42.32 C ATOM 1118 O GLN A2082 7.882 7.105 3.282 1.00 70.23 O ATOM 1119 CB GLN A2082 7.626 3.880 3.202 1.00 41.43 C ATOM 1120 CG GLN A2082 7.723 4.372 4.647 1.00 24.34 C ATOM 1121 CD GLN A2082 6.726 3.637 5.543 1.00 20.22 C ATOM 1122 OE1 GLN A2082 7.066 2.714 6.267 1.00 13.25 O ATOM 1123 NE2 GLN A2082 5.480 4.094 5.457 1.00 62.31 N ATOM 0 H GLN A2082 7.718 3.669 0.726 1.00 60.44 H new ATOM 0 HA GLN A2082 6.238 5.328 2.480 1.00 30.12 H new ATOM 0 HB2 GLN A2082 6.875 3.093 3.132 1.00 41.43 H new ATOM 0 HB3 GLN A2082 8.577 3.442 2.899 1.00 41.43 H new ATOM 0 HG2 GLN A2082 8.735 4.218 5.020 1.00 24.34 H new ATOM 0 HG3 GLN A2082 7.529 5.444 4.684 1.00 24.34 H new ATOM 0 HE21 GLN A2082 5.263 4.870 4.831 1.00 62.31 H new ATOM 0 HE22 GLN A2082 4.741 3.669 6.017 1.00 62.31 H new ATOM 1132 N GLU A2083 9.281 6.235 1.733 1.00 62.22 N ATOM 1133 CA GLU A2083 10.245 7.317 1.836 1.00 40.23 C ATOM 1134 C GLU A2083 9.648 8.613 1.284 1.00 71.13 C ATOM 1135 O GLU A2083 9.905 9.694 1.813 1.00 3.23 O ATOM 1136 CB GLU A2083 11.545 6.961 1.112 1.00 32.12 C ATOM 1137 CG GLU A2083 11.884 8.007 0.047 1.00 52.12 C ATOM 1138 CD GLU A2083 13.121 7.594 -0.753 1.00 55.51 C ATOM 1139 OE1 GLU A2083 14.248 7.695 -0.247 1.00 2.51 O ATOM 1140 OE2 GLU A2083 12.879 7.154 -1.941 1.00 32.13 O ATOM 0 H GLU A2083 9.526 5.508 1.061 1.00 62.22 H new ATOM 0 HA GLU A2083 10.482 7.469 2.889 1.00 40.23 H new ATOM 0 HB2 GLU A2083 12.360 6.893 1.833 1.00 32.12 H new ATOM 0 HB3 GLU A2083 11.449 5.980 0.646 1.00 32.12 H new ATOM 0 HG2 GLU A2083 11.036 8.133 -0.627 1.00 52.12 H new ATOM 0 HG3 GLU A2083 12.060 8.972 0.523 1.00 52.12 H new ATOM 1148 N TRP A2084 8.861 8.463 0.228 1.00 15.11 N ATOM 1149 CA TRP A2084 8.225 9.609 -0.398 1.00 50.45 C ATOM 1150 C TRP A2084 7.191 10.171 0.578 1.00 30.34 C ATOM 1151 O TRP A2084 7.012 11.385 0.667 1.00 41.22 O ATOM 1152 CB TRP A2084 7.622 9.228 -1.753 1.00 50.33 C ATOM 1153 CG TRP A2084 8.662 8.935 -2.837 1.00 62.32 C ATOM 1154 CD1 TRP A2084 9.019 7.745 -3.337 1.00 12.55 C ATOM 1155 CD2 TRP A2084 9.468 9.905 -3.540 1.00 64.42 C ATOM 1156 NE1 TRP A2084 9.993 7.876 -4.306 1.00 43.15 N ATOM 1157 CE2 TRP A2084 10.275 9.229 -4.433 1.00 73.24 C ATOM 1158 CE3 TRP A2084 9.515 11.304 -3.423 1.00 52.33 C ATOM 1159 CZ2 TRP A2084 11.186 9.872 -5.280 1.00 40.31 C ATOM 1160 CZ3 TRP A2084 10.431 11.933 -4.276 1.00 73.13 C ATOM 1161 CH2 TRP A2084 11.250 11.268 -5.181 1.00 33.01 C ATOM 0 H TRP A2084 8.650 7.566 -0.209 1.00 15.11 H new ATOM 0 HA TRP A2084 8.958 10.386 -0.612 1.00 50.45 H new ATOM 0 HB2 TRP A2084 6.990 8.350 -1.624 1.00 50.33 H new ATOM 0 HB3 TRP A2084 6.977 10.038 -2.093 1.00 50.33 H new ATOM 0 HD1 TRP A2084 8.598 6.802 -3.022 1.00 12.55 H new ATOM 0 HE1 TRP A2084 10.426 7.117 -4.832 1.00 43.15 H new ATOM 0 HE3 TRP A2084 8.894 11.852 -2.730 1.00 52.33 H new ATOM 0 HZ2 TRP A2084 11.806 9.321 -5.972 1.00 40.31 H new ATOM 0 HZ3 TRP A2084 10.506 13.009 -4.227 1.00 73.13 H new ATOM 0 HH2 TRP A2084 11.933 11.825 -5.805 1.00 33.01 H new ATOM 1172 N CYS A2085 6.539 9.262 1.286 1.00 41.21 N ATOM 1173 CA CYS A2085 5.528 9.652 2.254 1.00 10.13 C ATOM 1174 C CYS A2085 6.193 10.523 3.322 1.00 2.45 C ATOM 1175 O CYS A2085 5.712 11.610 3.630 1.00 74.13 O ATOM 1176 CB CYS A2085 4.830 8.434 2.865 1.00 33.21 C ATOM 1177 SG CYS A2085 3.960 8.918 4.401 1.00 63.14 S ATOM 0 H CYS A2085 6.691 8.256 1.209 1.00 41.21 H new ATOM 0 HA CYS A2085 4.747 10.225 1.755 1.00 10.13 H new ATOM 0 HB2 CYS A2085 4.120 8.015 2.152 1.00 33.21 H new ATOM 0 HB3 CYS A2085 5.562 7.655 3.081 1.00 33.21 H new ATOM 0 HG CYS A2085 2.706 9.136 4.139 1.00 63.14 H new ATOM 1183 N ARG A2086 7.293 10.010 3.856 1.00 62.34 N ATOM 1184 CA ARG A2086 8.032 10.726 4.882 1.00 53.11 C ATOM 1185 C ARG A2086 8.481 12.093 4.356 1.00 20.25 C ATOM 1186 O ARG A2086 8.411 13.091 5.071 1.00 20.15 O ATOM 1187 CB ARG A2086 9.258 9.933 5.335 1.00 31.12 C ATOM 1188 CG ARG A2086 8.944 9.105 6.583 1.00 1.24 C ATOM 1189 CD ARG A2086 8.278 7.780 6.209 1.00 40.50 C ATOM 1190 NE ARG A2086 7.440 7.300 7.329 1.00 63.25 N ATOM 1191 CZ ARG A2086 7.929 6.867 8.510 1.00 74.53 C ATOM 1192 NH1 ARG A2086 9.260 6.850 8.735 1.00 51.34 N ATOM 1193 NH2 ARG A2086 7.087 6.461 9.442 1.00 74.44 N ATOM 0 H ARG A2086 7.690 9.107 3.597 1.00 62.34 H new ATOM 0 HA ARG A2086 7.367 10.861 5.735 1.00 53.11 H new ATOM 0 HB2 ARG A2086 9.588 9.275 4.531 1.00 31.12 H new ATOM 0 HB3 ARG A2086 10.081 10.617 5.545 1.00 31.12 H new ATOM 0 HG2 ARG A2086 9.863 8.911 7.136 1.00 1.24 H new ATOM 0 HG3 ARG A2086 8.288 9.672 7.244 1.00 1.24 H new ATOM 0 HD2 ARG A2086 7.666 7.911 5.316 1.00 40.50 H new ATOM 0 HD3 ARG A2086 9.038 7.037 5.968 1.00 40.50 H new ATOM 0 HE ARG A2086 6.428 7.296 7.201 1.00 63.25 H new ATOM 0 HH11 ARG A2086 9.904 7.166 8.010 1.00 51.34 H new ATOM 0 HH12 ARG A2086 9.622 6.521 9.630 1.00 51.34 H new ATOM 0 HH21 ARG A2086 6.083 6.477 9.264 1.00 74.44 H new ATOM 0 HH22 ARG A2086 7.441 6.131 10.340 1.00 74.44 H new ATOM 1205 N LYS A2087 8.934 12.091 3.110 1.00 32.42 N ATOM 1206 CA LYS A2087 9.395 13.316 2.481 1.00 32.52 C ATOM 1207 C LYS A2087 8.278 14.360 2.529 1.00 74.14 C ATOM 1208 O LYS A2087 8.517 15.517 2.874 1.00 23.03 O ATOM 1209 CB LYS A2087 9.912 13.031 1.069 1.00 32.24 C ATOM 1210 CG LYS A2087 11.265 12.317 1.115 1.00 65.21 C ATOM 1211 CD LYS A2087 11.676 11.834 -0.277 1.00 13.20 C ATOM 1212 CE LYS A2087 12.765 12.730 -0.868 1.00 2.45 C ATOM 1213 NZ LYS A2087 14.034 11.981 -1.008 1.00 32.33 N ATOM 0 H LYS A2087 8.991 11.261 2.520 1.00 32.42 H new ATOM 0 HA LYS A2087 10.242 13.730 3.028 1.00 32.52 H new ATOM 0 HB2 LYS A2087 9.190 12.416 0.531 1.00 32.24 H new ATOM 0 HB3 LYS A2087 10.009 13.966 0.517 1.00 32.24 H new ATOM 0 HG2 LYS A2087 12.024 12.993 1.508 1.00 65.21 H new ATOM 0 HG3 LYS A2087 11.210 11.468 1.797 1.00 65.21 H new ATOM 0 HD2 LYS A2087 12.037 10.807 -0.218 1.00 13.20 H new ATOM 0 HD3 LYS A2087 10.807 11.829 -0.935 1.00 13.20 H new ATOM 0 HE2 LYS A2087 12.448 13.104 -1.841 1.00 2.45 H new ATOM 0 HE3 LYS A2087 12.917 13.598 -0.227 1.00 2.45 H new ATOM 0 HZ1 LYS A2087 14.762 12.604 -1.411 1.00 32.33 H new ATOM 0 HZ2 LYS A2087 14.344 11.645 -0.074 1.00 32.33 H new ATOM 0 HZ3 LYS A2087 13.889 11.166 -1.638 1.00 32.33 H new ATOM 1226 N TYR A2088 7.081 13.916 2.174 1.00 75.45 N ATOM 1227 CA TYR A2088 5.926 14.797 2.173 1.00 53.12 C ATOM 1228 C TYR A2088 5.519 15.171 3.600 1.00 24.43 C ATOM 1229 O TYR A2088 5.272 16.341 3.893 1.00 42.33 O ATOM 1230 CB TYR A2088 4.791 14.005 1.522 1.00 62.11 C ATOM 1231 CG TYR A2088 3.393 14.478 1.920 1.00 72.30 C ATOM 1232 CD1 TYR A2088 2.838 14.063 3.115 1.00 21.42 C ATOM 1233 CD2 TYR A2088 2.685 15.320 1.087 1.00 55.14 C ATOM 1234 CE1 TYR A2088 1.522 14.508 3.490 1.00 23.11 C ATOM 1235 CE2 TYR A2088 1.367 15.766 1.464 1.00 4.32 C ATOM 1236 CZ TYR A2088 0.852 15.336 2.647 1.00 52.01 C ATOM 1237 OH TYR A2088 -0.392 15.758 3.003 1.00 50.43 O ATOM 0 H TYR A2088 6.886 12.957 1.885 1.00 75.45 H new ATOM 0 HA TYR A2088 6.150 15.721 1.640 1.00 53.12 H new ATOM 0 HB2 TYR A2088 4.891 14.071 0.439 1.00 62.11 H new ATOM 0 HB3 TYR A2088 4.897 12.953 1.788 1.00 62.11 H new ATOM 0 HD1 TYR A2088 3.392 13.405 3.768 1.00 21.42 H new ATOM 0 HD2 TYR A2088 3.118 15.645 0.153 1.00 55.14 H new ATOM 0 HE1 TYR A2088 1.077 14.191 4.421 1.00 23.11 H new ATOM 0 HE2 TYR A2088 0.802 16.426 0.822 1.00 4.32 H new ATOM 0 HH TYR A2088 -0.750 16.346 2.305 1.00 50.43 H new ATOM 1247 N MET A2089 5.458 14.156 4.449 1.00 0.34 N ATOM 1248 CA MET A2089 5.085 14.364 5.837 1.00 23.51 C ATOM 1249 C MET A2089 6.036 15.346 6.520 1.00 10.50 C ATOM 1250 O MET A2089 5.651 16.032 7.467 1.00 24.10 O ATOM 1251 CB MET A2089 5.114 13.025 6.579 1.00 12.51 C ATOM 1252 CG MET A2089 3.899 12.170 6.217 1.00 65.04 C ATOM 1253 SD MET A2089 3.447 11.134 7.597 1.00 30.34 S ATOM 1254 CE MET A2089 1.674 11.343 7.576 1.00 15.14 C ATOM 0 H MET A2089 5.661 13.187 4.202 1.00 0.34 H new ATOM 0 HA MET A2089 4.080 14.784 5.864 1.00 23.51 H new ATOM 0 HB2 MET A2089 6.029 12.487 6.330 1.00 12.51 H new ATOM 0 HB3 MET A2089 5.131 13.202 7.654 1.00 12.51 H new ATOM 0 HG2 MET A2089 3.061 12.812 5.944 1.00 65.04 H new ATOM 0 HG3 MET A2089 4.125 11.553 5.347 1.00 65.04 H new ATOM 0 HE1 MET A2089 1.366 11.927 8.443 1.00 15.14 H new ATOM 0 HE2 MET A2089 1.380 11.864 6.665 1.00 15.14 H new ATOM 0 HE3 MET A2089 1.192 10.366 7.607 1.00 15.14 H new ATOM 1264 N LYS A2090 7.260 15.384 6.015 1.00 10.31 N ATOM 1265 CA LYS A2090 8.270 16.273 6.564 1.00 15.14 C ATOM 1266 C LYS A2090 8.246 17.598 5.801 1.00 63.22 C ATOM 1267 O LYS A2090 8.086 18.662 6.399 1.00 71.51 O ATOM 1268 CB LYS A2090 9.639 15.591 6.570 1.00 31.20 C ATOM 1269 CG LYS A2090 10.257 15.614 7.969 1.00 31.44 C ATOM 1270 CD LYS A2090 10.699 17.028 8.352 1.00 23.40 C ATOM 1271 CE LYS A2090 10.119 17.436 9.708 1.00 71.21 C ATOM 1272 NZ LYS A2090 11.176 18.000 10.575 1.00 2.53 N ATOM 0 H LYS A2090 7.576 14.813 5.231 1.00 10.31 H new ATOM 0 HA LYS A2090 8.050 16.501 7.607 1.00 15.14 H new ATOM 0 HB2 LYS A2090 9.537 14.560 6.230 1.00 31.20 H new ATOM 0 HB3 LYS A2090 10.303 16.094 5.867 1.00 31.20 H new ATOM 0 HG2 LYS A2090 9.533 15.246 8.696 1.00 31.44 H new ATOM 0 HG3 LYS A2090 11.113 14.940 8.003 1.00 31.44 H new ATOM 0 HD2 LYS A2090 11.787 17.075 8.389 1.00 23.40 H new ATOM 0 HD3 LYS A2090 10.375 17.734 7.587 1.00 23.40 H new ATOM 0 HE2 LYS A2090 9.327 18.171 9.565 1.00 71.21 H new ATOM 0 HE3 LYS A2090 9.667 16.570 10.192 1.00 71.21 H new ATOM 0 HZ1 LYS A2090 10.765 18.272 11.491 1.00 2.53 H new ATOM 0 HZ2 LYS A2090 11.918 17.287 10.726 1.00 2.53 H new ATOM 0 HZ3 LYS A2090 11.589 18.838 10.118 1.00 2.53 H new ATOM 1285 N SER A2091 8.411 17.493 4.491 1.00 62.15 N ATOM 1286 CA SER A2091 8.410 18.671 3.639 1.00 24.44 C ATOM 1287 C SER A2091 6.974 19.146 3.403 1.00 14.43 C ATOM 1288 O SER A2091 6.606 20.246 3.815 1.00 20.45 O ATOM 1289 CB SER A2091 9.099 18.383 2.302 1.00 1.43 C ATOM 1290 OG SER A2091 10.510 18.254 2.449 1.00 23.32 O ATOM 0 H SER A2091 8.546 16.610 3.998 1.00 62.15 H new ATOM 0 HA SER A2091 8.968 19.459 4.144 1.00 24.44 H new ATOM 0 HB2 SER A2091 8.693 17.466 1.874 1.00 1.43 H new ATOM 0 HB3 SER A2091 8.879 19.187 1.600 1.00 1.43 H new ATOM 0 HG SER A2091 10.914 18.069 1.576 1.00 23.32 H new ATOM 1296 N GLY A2092 6.203 18.295 2.743 1.00 43.50 N ATOM 1297 CA GLY A2092 4.817 18.614 2.447 1.00 34.33 C ATOM 1298 C GLY A2092 4.652 19.041 0.987 1.00 20.13 C ATOM 1299 O GLY A2092 4.687 20.231 0.676 1.00 12.11 O ATOM 0 H GLY A2092 6.512 17.384 2.404 1.00 43.50 H new ATOM 0 HA2 GLY A2092 4.189 17.746 2.649 1.00 34.33 H new ATOM 0 HA3 GLY A2092 4.476 19.414 3.104 1.00 34.33 H new ATOM 1303 N ASN A2093 4.473 18.046 0.130 1.00 43.32 N ATOM 1304 CA ASN A2093 4.302 18.303 -1.289 1.00 32.42 C ATOM 1305 C ASN A2093 3.456 17.187 -1.907 1.00 52.22 C ATOM 1306 O ASN A2093 3.847 16.022 -1.883 1.00 21.23 O ATOM 1307 CB ASN A2093 5.651 18.328 -2.011 1.00 34.21 C ATOM 1308 CG ASN A2093 5.904 19.693 -2.652 1.00 50.33 C ATOM 1309 OD1 ASN A2093 5.169 20.152 -3.510 1.00 4.12 O ATOM 1310 ND2 ASN A2093 6.983 20.319 -2.187 1.00 21.15 N ATOM 0 H ASN A2093 4.443 17.061 0.392 1.00 43.32 H new ATOM 0 HA ASN A2093 3.816 19.272 -1.400 1.00 32.42 H new ATOM 0 HB2 ASN A2093 6.450 18.100 -1.305 1.00 34.21 H new ATOM 0 HB3 ASN A2093 5.672 17.553 -2.777 1.00 34.21 H new ATOM 0 HD21 ASN A2093 7.236 21.238 -2.550 1.00 21.15 H new ATOM 0 HD22 ASN A2093 7.557 19.880 -1.467 1.00 21.15 H new ATOM 1317 N VAL A2094 2.312 17.586 -2.445 1.00 3.25 N ATOM 1318 CA VAL A2094 1.407 16.633 -3.068 1.00 63.03 C ATOM 1319 C VAL A2094 2.169 15.827 -4.122 1.00 42.33 C ATOM 1320 O VAL A2094 1.847 14.668 -4.374 1.00 1.42 O ATOM 1321 CB VAL A2094 0.191 17.364 -3.636 1.00 60.30 C ATOM 1322 CG1 VAL A2094 -0.465 16.549 -4.754 1.00 55.45 C ATOM 1323 CG2 VAL A2094 -0.818 17.690 -2.533 1.00 51.33 C ATOM 0 H VAL A2094 1.991 18.554 -2.463 1.00 3.25 H new ATOM 0 HA VAL A2094 1.028 15.925 -2.331 1.00 63.03 H new ATOM 0 HB VAL A2094 0.536 18.305 -4.064 1.00 60.30 H new ATOM 0 HG11 VAL A2094 -1.328 17.091 -5.141 1.00 55.45 H new ATOM 0 HG12 VAL A2094 0.254 16.389 -5.558 1.00 55.45 H new ATOM 0 HG13 VAL A2094 -0.789 15.586 -4.360 1.00 55.45 H new ATOM 0 HG21 VAL A2094 -1.673 18.210 -2.964 1.00 51.33 H new ATOM 0 HG22 VAL A2094 -1.154 16.766 -2.063 1.00 51.33 H new ATOM 0 HG23 VAL A2094 -0.346 18.327 -1.785 1.00 51.33 H new ATOM 1333 N LYS A2095 3.164 16.475 -4.712 1.00 72.54 N ATOM 1334 CA LYS A2095 3.973 15.835 -5.734 1.00 32.03 C ATOM 1335 C LYS A2095 4.595 14.561 -5.160 1.00 32.31 C ATOM 1336 O LYS A2095 4.504 13.493 -5.765 1.00 72.04 O ATOM 1337 CB LYS A2095 4.999 16.818 -6.300 1.00 65.14 C ATOM 1338 CG LYS A2095 5.590 16.299 -7.613 1.00 52.15 C ATOM 1339 CD LYS A2095 7.023 15.804 -7.413 1.00 70.32 C ATOM 1340 CE LYS A2095 7.501 15.005 -8.627 1.00 2.44 C ATOM 1341 NZ LYS A2095 8.789 14.339 -8.332 1.00 2.50 N ATOM 0 H LYS A2095 3.428 17.437 -4.501 1.00 72.54 H new ATOM 0 HA LYS A2095 3.353 15.536 -6.579 1.00 32.03 H new ATOM 0 HB2 LYS A2095 4.527 17.786 -6.467 1.00 65.14 H new ATOM 0 HB3 LYS A2095 5.797 16.974 -5.574 1.00 65.14 H new ATOM 0 HG2 LYS A2095 4.972 15.488 -7.998 1.00 52.15 H new ATOM 0 HG3 LYS A2095 5.577 17.092 -8.360 1.00 52.15 H new ATOM 0 HD2 LYS A2095 7.686 16.654 -7.249 1.00 70.32 H new ATOM 0 HD3 LYS A2095 7.075 15.181 -6.520 1.00 70.32 H new ATOM 0 HE2 LYS A2095 6.753 14.260 -8.897 1.00 2.44 H new ATOM 0 HE3 LYS A2095 7.615 15.668 -9.485 1.00 2.44 H new ATOM 0 HZ1 LYS A2095 9.100 13.801 -9.166 1.00 2.50 H new ATOM 0 HZ2 LYS A2095 9.504 15.056 -8.096 1.00 2.50 H new ATOM 0 HZ3 LYS A2095 8.669 13.692 -7.527 1.00 2.50 H new ATOM 1354 N ASP A2096 5.215 14.712 -3.998 1.00 42.04 N ATOM 1355 CA ASP A2096 5.852 13.586 -3.336 1.00 34.02 C ATOM 1356 C ASP A2096 4.778 12.597 -2.878 1.00 14.35 C ATOM 1357 O ASP A2096 4.965 11.385 -2.973 1.00 52.23 O ATOM 1358 CB ASP A2096 6.633 14.043 -2.103 1.00 50.52 C ATOM 1359 CG ASP A2096 7.280 15.424 -2.222 1.00 13.24 C ATOM 1360 OD1 ASP A2096 7.209 16.074 -3.276 1.00 43.41 O ATOM 1361 OD2 ASP A2096 7.888 15.836 -1.162 1.00 54.03 O ATOM 0 H ASP A2096 5.290 15.598 -3.498 1.00 42.04 H new ATOM 0 HA ASP A2096 6.538 13.121 -4.044 1.00 34.02 H new ATOM 0 HB2 ASP A2096 5.960 14.047 -1.246 1.00 50.52 H new ATOM 0 HB3 ASP A2096 7.412 13.310 -1.893 1.00 50.52 H new ATOM 1367 N LEU A2097 3.680 13.150 -2.388 1.00 74.21 N ATOM 1368 CA LEU A2097 2.577 12.333 -1.913 1.00 14.22 C ATOM 1369 C LEU A2097 2.016 11.513 -3.078 1.00 13.45 C ATOM 1370 O LEU A2097 1.728 10.328 -2.923 1.00 3.30 O ATOM 1371 CB LEU A2097 1.529 13.200 -1.211 1.00 23.22 C ATOM 1372 CG LEU A2097 0.202 12.514 -0.882 1.00 23.40 C ATOM 1373 CD1 LEU A2097 0.437 11.168 -0.192 1.00 3.02 C ATOM 1374 CD2 LEU A2097 -0.699 13.431 -0.055 1.00 54.44 C ATOM 0 H LEU A2097 3.530 14.156 -2.309 1.00 74.21 H new ATOM 0 HA LEU A2097 2.925 11.624 -1.162 1.00 14.22 H new ATOM 0 HB2 LEU A2097 1.960 13.577 -0.283 1.00 23.22 H new ATOM 0 HB3 LEU A2097 1.322 14.065 -1.840 1.00 23.22 H new ATOM 0 HG LEU A2097 -0.318 12.310 -1.818 1.00 23.40 H new ATOM 0 HD11 LEU A2097 -0.522 10.701 0.031 1.00 3.02 H new ATOM 0 HD12 LEU A2097 1.013 10.517 -0.850 1.00 3.02 H new ATOM 0 HD13 LEU A2097 0.988 11.326 0.735 1.00 3.02 H new ATOM 0 HD21 LEU A2097 -1.636 12.919 0.165 1.00 54.44 H new ATOM 0 HD22 LEU A2097 -0.198 13.688 0.878 1.00 54.44 H new ATOM 0 HD23 LEU A2097 -0.907 14.341 -0.618 1.00 54.44 H new ATOM 1386 N THR A2098 1.882 12.177 -4.214 1.00 50.42 N ATOM 1387 CA THR A2098 1.362 11.525 -5.405 1.00 21.32 C ATOM 1388 C THR A2098 2.270 10.365 -5.817 1.00 31.52 C ATOM 1389 O THR A2098 1.793 9.266 -6.093 1.00 4.12 O ATOM 1390 CB THR A2098 1.203 12.587 -6.495 1.00 32.11 C ATOM 1391 OG1 THR A2098 0.109 13.385 -6.044 1.00 14.25 O ATOM 1392 CG2 THR A2098 0.711 11.998 -7.818 1.00 42.24 C ATOM 0 H THR A2098 2.124 13.160 -4.337 1.00 50.42 H new ATOM 0 HA THR A2098 0.384 11.082 -5.217 1.00 21.32 H new ATOM 0 HB THR A2098 2.157 13.091 -6.653 1.00 32.11 H new ATOM 0 HG1 THR A2098 0.424 14.018 -5.365 1.00 14.25 H new ATOM 0 HG21 THR A2098 0.615 12.793 -8.557 1.00 42.24 H new ATOM 0 HG22 THR A2098 1.426 11.256 -8.174 1.00 42.24 H new ATOM 0 HG23 THR A2098 -0.259 11.524 -7.667 1.00 42.24 H new ATOM 1400 N GLN A2099 3.565 10.648 -5.843 1.00 62.23 N ATOM 1401 CA GLN A2099 4.544 9.642 -6.217 1.00 61.44 C ATOM 1402 C GLN A2099 4.418 8.417 -5.309 1.00 13.53 C ATOM 1403 O GLN A2099 4.422 7.283 -5.787 1.00 74.22 O ATOM 1404 CB GLN A2099 5.962 10.214 -6.173 1.00 15.31 C ATOM 1405 CG GLN A2099 6.623 10.146 -7.551 1.00 60.22 C ATOM 1406 CD GLN A2099 7.398 8.839 -7.724 1.00 41.22 C ATOM 1407 OE1 GLN A2099 8.104 8.384 -6.839 1.00 72.02 O ATOM 1408 NE2 GLN A2099 7.228 8.261 -8.909 1.00 62.32 N ATOM 0 H GLN A2099 3.958 11.560 -5.611 1.00 62.23 H new ATOM 0 HA GLN A2099 4.345 9.332 -7.243 1.00 61.44 H new ATOM 0 HB2 GLN A2099 5.930 11.249 -5.831 1.00 15.31 H new ATOM 0 HB3 GLN A2099 6.560 9.658 -5.451 1.00 15.31 H new ATOM 0 HG2 GLN A2099 5.862 10.227 -8.327 1.00 60.22 H new ATOM 0 HG3 GLN A2099 7.298 10.992 -7.676 1.00 60.22 H new ATOM 0 HE21 GLN A2099 6.623 8.695 -9.606 1.00 62.32 H new ATOM 0 HE22 GLN A2099 7.703 7.384 -9.121 1.00 62.32 H new ATOM 1417 N ALA A2100 4.309 8.686 -4.017 1.00 63.22 N ATOM 1418 CA ALA A2100 4.182 7.620 -3.038 1.00 11.24 C ATOM 1419 C ALA A2100 2.916 6.811 -3.331 1.00 3.41 C ATOM 1420 O ALA A2100 2.951 5.582 -3.345 1.00 41.13 O ATOM 1421 CB ALA A2100 4.179 8.217 -1.630 1.00 54.13 C ATOM 0 H ALA A2100 4.306 9.628 -3.625 1.00 63.22 H new ATOM 0 HA ALA A2100 5.030 6.939 -3.101 1.00 11.24 H new ATOM 0 HB1 ALA A2100 4.084 7.417 -0.896 1.00 54.13 H new ATOM 0 HB2 ALA A2100 5.112 8.755 -1.461 1.00 54.13 H new ATOM 0 HB3 ALA A2100 3.340 8.905 -1.528 1.00 54.13 H new ATOM 1427 N TRP A2101 1.830 7.535 -3.556 1.00 45.55 N ATOM 1428 CA TRP A2101 0.556 6.901 -3.850 1.00 74.12 C ATOM 1429 C TRP A2101 0.698 6.140 -5.169 1.00 43.34 C ATOM 1430 O TRP A2101 0.039 5.124 -5.378 1.00 44.22 O ATOM 1431 CB TRP A2101 -0.577 7.929 -3.868 1.00 10.45 C ATOM 1432 CG TRP A2101 -1.639 7.705 -2.791 1.00 12.32 C ATOM 1433 CD1 TRP A2101 -2.076 8.575 -1.870 1.00 72.14 C ATOM 1434 CD2 TRP A2101 -2.385 6.492 -2.559 1.00 14.54 C ATOM 1435 NE1 TRP A2101 -3.046 8.013 -1.065 1.00 43.43 N ATOM 1436 CE2 TRP A2101 -3.239 6.706 -1.495 1.00 12.43 C ATOM 1437 CE3 TRP A2101 -2.339 5.253 -3.222 1.00 55.02 C ATOM 1438 CZ2 TRP A2101 -4.112 5.729 -1.005 1.00 74.10 C ATOM 1439 CZ3 TRP A2101 -3.217 4.286 -2.719 1.00 55.11 C ATOM 1440 CH2 TRP A2101 -4.084 4.488 -1.650 1.00 21.03 C ATOM 0 H TRP A2101 1.806 8.555 -3.541 1.00 45.55 H new ATOM 0 HA TRP A2101 0.289 6.190 -3.068 1.00 74.12 H new ATOM 0 HB2 TRP A2101 -0.152 8.925 -3.743 1.00 10.45 H new ATOM 0 HB3 TRP A2101 -1.057 7.908 -4.846 1.00 10.45 H new ATOM 0 HD1 TRP A2101 -1.715 9.588 -1.770 1.00 72.14 H new ATOM 0 HE1 TRP A2101 -3.532 8.473 -0.295 1.00 43.43 H new ATOM 0 HE3 TRP A2101 -1.678 5.062 -4.054 1.00 55.02 H new ATOM 0 HZ2 TRP A2101 -4.773 5.923 -0.173 1.00 74.10 H new ATOM 0 HZ3 TRP A2101 -3.222 3.316 -3.194 1.00 55.11 H new ATOM 0 HH2 TRP A2101 -4.733 3.690 -1.320 1.00 21.03 H new ATOM 1451 N ASP A2102 1.561 6.666 -6.028 1.00 40.22 N ATOM 1452 CA ASP A2102 1.798 6.049 -7.322 1.00 63.14 C ATOM 1453 C ASP A2102 2.485 4.698 -7.120 1.00 2.02 C ATOM 1454 O ASP A2102 2.065 3.694 -7.693 1.00 21.43 O ATOM 1455 CB ASP A2102 2.712 6.921 -8.187 1.00 33.21 C ATOM 1456 CG ASP A2102 2.276 7.064 -9.646 1.00 54.42 C ATOM 1457 OD1 ASP A2102 1.213 6.567 -10.048 1.00 62.13 O ATOM 1458 OD2 ASP A2102 3.090 7.729 -10.395 1.00 21.32 O ATOM 0 H ASP A2102 2.104 7.512 -5.853 1.00 40.22 H new ATOM 0 HA ASP A2102 0.836 5.929 -7.820 1.00 63.14 H new ATOM 0 HB2 ASP A2102 2.770 7.914 -7.742 1.00 33.21 H new ATOM 0 HB3 ASP A2102 3.718 6.502 -8.163 1.00 33.21 H new ATOM 1464 N LEU A2103 3.529 4.716 -6.306 1.00 3.24 N ATOM 1465 CA LEU A2103 4.278 3.503 -6.023 1.00 44.54 C ATOM 1466 C LEU A2103 3.333 2.449 -5.442 1.00 54.05 C ATOM 1467 O LEU A2103 3.287 1.318 -5.923 1.00 42.00 O ATOM 1468 CB LEU A2103 5.480 3.812 -5.127 1.00 64.44 C ATOM 1469 CG LEU A2103 6.498 4.803 -5.691 1.00 61.12 C ATOM 1470 CD1 LEU A2103 7.286 5.479 -4.568 1.00 2.15 C ATOM 1471 CD2 LEU A2103 7.420 4.124 -6.708 1.00 43.14 C ATOM 0 H LEU A2103 3.875 5.551 -5.833 1.00 3.24 H new ATOM 0 HA LEU A2103 4.693 3.088 -6.942 1.00 44.54 H new ATOM 0 HB2 LEU A2103 5.110 4.201 -4.178 1.00 64.44 H new ATOM 0 HB3 LEU A2103 5.995 2.877 -4.909 1.00 64.44 H new ATOM 0 HG LEU A2103 5.954 5.586 -6.220 1.00 61.12 H new ATOM 0 HD11 LEU A2103 8.003 6.179 -4.997 1.00 2.15 H new ATOM 0 HD12 LEU A2103 6.599 6.018 -3.915 1.00 2.15 H new ATOM 0 HD13 LEU A2103 7.818 4.723 -3.991 1.00 2.15 H new ATOM 0 HD21 LEU A2103 8.134 4.851 -7.094 1.00 43.14 H new ATOM 0 HD22 LEU A2103 7.958 3.309 -6.224 1.00 43.14 H new ATOM 0 HD23 LEU A2103 6.825 3.728 -7.531 1.00 43.14 H new ATOM 1483 N TYR A2104 2.601 2.857 -4.416 1.00 74.04 N ATOM 1484 CA TYR A2104 1.660 1.962 -3.764 1.00 53.43 C ATOM 1485 C TYR A2104 0.685 1.361 -4.777 1.00 11.02 C ATOM 1486 O TYR A2104 0.567 0.140 -4.881 1.00 54.25 O ATOM 1487 CB TYR A2104 0.877 2.826 -2.772 1.00 35.31 C ATOM 1488 CG TYR A2104 1.718 3.357 -1.609 1.00 23.02 C ATOM 1489 CD1 TYR A2104 2.786 2.620 -1.137 1.00 33.24 C ATOM 1490 CD2 TYR A2104 1.411 4.572 -1.033 1.00 60.44 C ATOM 1491 CE1 TYR A2104 3.579 3.120 -0.043 1.00 24.51 C ATOM 1492 CE2 TYR A2104 2.202 5.071 0.062 1.00 12.35 C ATOM 1493 CZ TYR A2104 3.247 4.321 0.502 1.00 44.32 C ATOM 1494 OH TYR A2104 3.994 4.795 1.534 1.00 33.25 O ATOM 0 H TYR A2104 2.641 3.796 -4.020 1.00 74.04 H new ATOM 0 HA TYR A2104 2.185 1.139 -3.279 1.00 53.43 H new ATOM 0 HB2 TYR A2104 0.441 3.670 -3.307 1.00 35.31 H new ATOM 0 HB3 TYR A2104 0.049 2.241 -2.371 1.00 35.31 H new ATOM 0 HD1 TYR A2104 3.027 1.669 -1.588 1.00 33.24 H new ATOM 0 HD2 TYR A2104 0.577 5.149 -1.403 1.00 60.44 H new ATOM 0 HE1 TYR A2104 4.418 2.554 0.335 1.00 24.51 H new ATOM 0 HE2 TYR A2104 1.970 6.020 0.523 1.00 12.35 H new ATOM 0 HH TYR A2104 3.641 5.663 1.821 1.00 33.25 H new ATOM 1504 N TYR A2105 0.010 2.243 -5.500 1.00 13.14 N ATOM 1505 CA TYR A2105 -0.950 1.813 -6.501 1.00 21.23 C ATOM 1506 C TYR A2105 -0.349 0.741 -7.412 1.00 72.11 C ATOM 1507 O TYR A2105 -1.031 -0.209 -7.792 1.00 22.43 O ATOM 1508 CB TYR A2105 -1.272 3.054 -7.337 1.00 72.41 C ATOM 1509 CG TYR A2105 -2.700 3.084 -7.881 1.00 24.13 C ATOM 1510 CD1 TYR A2105 -3.321 1.909 -8.259 1.00 15.41 C ATOM 1511 CD2 TYR A2105 -3.371 4.285 -7.993 1.00 53.04 C ATOM 1512 CE1 TYR A2105 -4.666 1.938 -8.771 1.00 72.23 C ATOM 1513 CE2 TYR A2105 -4.717 4.313 -8.505 1.00 51.41 C ATOM 1514 CZ TYR A2105 -5.298 3.138 -8.869 1.00 41.20 C ATOM 1515 OH TYR A2105 -6.569 3.165 -9.352 1.00 1.22 O ATOM 0 H TYR A2105 0.110 3.254 -5.412 1.00 13.14 H new ATOM 0 HA TYR A2105 -1.834 1.387 -6.027 1.00 21.23 H new ATOM 0 HB2 TYR A2105 -1.108 3.943 -6.728 1.00 72.41 H new ATOM 0 HB3 TYR A2105 -0.575 3.107 -8.173 1.00 72.41 H new ATOM 0 HD1 TYR A2105 -2.797 0.969 -8.170 1.00 15.41 H new ATOM 0 HD2 TYR A2105 -2.887 5.204 -7.697 1.00 53.04 H new ATOM 0 HE1 TYR A2105 -5.162 1.027 -9.071 1.00 72.23 H new ATOM 0 HE2 TYR A2105 -5.253 5.246 -8.598 1.00 51.41 H new ATOM 0 HH TYR A2105 -6.895 4.089 -9.365 1.00 1.22 H new ATOM 1525 N HIS A2106 0.921 0.930 -7.737 1.00 5.54 N ATOM 1526 CA HIS A2106 1.622 -0.008 -8.598 1.00 33.34 C ATOM 1527 C HIS A2106 1.602 -1.400 -7.961 1.00 74.43 C ATOM 1528 O HIS A2106 1.179 -2.369 -8.590 1.00 3.21 O ATOM 1529 CB HIS A2106 3.038 0.484 -8.901 1.00 74.31 C ATOM 1530 CG HIS A2106 3.492 0.214 -10.316 1.00 0.05 C ATOM 1531 ND1 HIS A2106 3.519 1.192 -11.294 1.00 35.03 N ATOM 1532 CD2 HIS A2106 3.938 -0.933 -10.905 1.00 33.54 C ATOM 1533 CE1 HIS A2106 3.963 0.647 -12.418 1.00 31.54 C ATOM 1534 NE2 HIS A2106 4.221 -0.671 -12.175 1.00 74.42 N ATOM 0 H HIS A2106 1.484 1.719 -7.420 1.00 5.54 H new ATOM 0 HA HIS A2106 1.112 -0.077 -9.559 1.00 33.34 H new ATOM 0 HB2 HIS A2106 3.087 1.557 -8.713 1.00 74.31 H new ATOM 0 HB3 HIS A2106 3.733 0.007 -8.210 1.00 74.31 H new ATOM 0 HD2 HIS A2106 4.043 -1.892 -10.420 1.00 33.54 H new ATOM 0 HE1 HIS A2106 4.097 1.157 -13.361 1.00 31.54 H new ATOM 0 HE2 HIS A2106 4.573 -1.343 -12.857 1.00 74.42 H new ATOM 1543 N VAL A2107 2.066 -1.456 -6.721 1.00 51.41 N ATOM 1544 CA VAL A2107 2.107 -2.711 -5.993 1.00 31.14 C ATOM 1545 C VAL A2107 0.678 -3.169 -5.691 1.00 4.30 C ATOM 1546 O VAL A2107 0.327 -4.320 -5.939 1.00 74.23 O ATOM 1547 CB VAL A2107 2.964 -2.559 -4.735 1.00 51.24 C ATOM 1548 CG1 VAL A2107 4.077 -1.532 -4.950 1.00 62.32 C ATOM 1549 CG2 VAL A2107 2.103 -2.187 -3.526 1.00 62.33 C ATOM 0 H VAL A2107 2.417 -0.651 -6.202 1.00 51.41 H new ATOM 0 HA VAL A2107 2.576 -3.487 -6.598 1.00 31.14 H new ATOM 0 HB VAL A2107 3.431 -3.522 -4.531 1.00 51.24 H new ATOM 0 HG11 VAL A2107 4.671 -1.443 -4.040 1.00 62.32 H new ATOM 0 HG12 VAL A2107 4.717 -1.855 -5.771 1.00 62.32 H new ATOM 0 HG13 VAL A2107 3.637 -0.564 -5.192 1.00 62.32 H new ATOM 0 HG21 VAL A2107 2.737 -2.085 -2.645 1.00 62.33 H new ATOM 0 HG22 VAL A2107 1.595 -1.242 -3.718 1.00 62.33 H new ATOM 0 HG23 VAL A2107 1.363 -2.968 -3.352 1.00 62.33 H new ATOM 1559 N PHE A2108 -0.105 -2.242 -5.161 1.00 62.20 N ATOM 1560 CA PHE A2108 -1.488 -2.535 -4.822 1.00 45.13 C ATOM 1561 C PHE A2108 -2.279 -2.957 -6.064 1.00 50.45 C ATOM 1562 O PHE A2108 -3.236 -3.721 -5.963 1.00 30.10 O ATOM 1563 CB PHE A2108 -2.094 -1.247 -4.260 1.00 31.31 C ATOM 1564 CG PHE A2108 -1.916 -1.085 -2.749 1.00 11.33 C ATOM 1565 CD1 PHE A2108 -0.714 -0.697 -2.244 1.00 33.12 C ATOM 1566 CD2 PHE A2108 -2.960 -1.327 -1.912 1.00 30.24 C ATOM 1567 CE1 PHE A2108 -0.549 -0.547 -0.841 1.00 15.40 C ATOM 1568 CE2 PHE A2108 -2.795 -1.177 -0.509 1.00 12.32 C ATOM 1569 CZ PHE A2108 -1.593 -0.790 -0.004 1.00 34.31 C ATOM 0 H PHE A2108 0.191 -1.287 -4.958 1.00 62.20 H new ATOM 0 HA PHE A2108 -1.529 -3.352 -4.102 1.00 45.13 H new ATOM 0 HB2 PHE A2108 -1.639 -0.394 -4.763 1.00 31.31 H new ATOM 0 HB3 PHE A2108 -3.158 -1.225 -4.495 1.00 31.31 H new ATOM 0 HD1 PHE A2108 0.114 -0.503 -2.909 1.00 33.12 H new ATOM 0 HD2 PHE A2108 -3.915 -1.633 -2.314 1.00 30.24 H new ATOM 0 HE1 PHE A2108 0.405 -0.240 -0.439 1.00 15.40 H new ATOM 0 HE2 PHE A2108 -3.624 -1.370 0.156 1.00 12.32 H new ATOM 0 HZ PHE A2108 -1.467 -0.676 1.063 1.00 34.31 H new ATOM 1579 N ARG A2109 -1.848 -2.438 -7.205 1.00 1.12 N ATOM 1580 CA ARG A2109 -2.501 -2.751 -8.463 1.00 31.40 C ATOM 1581 C ARG A2109 -2.127 -4.163 -8.920 1.00 73.12 C ATOM 1582 O ARG A2109 -2.948 -4.866 -9.507 1.00 24.22 O ATOM 1583 CB ARG A2109 -2.110 -1.750 -9.552 1.00 2.11 C ATOM 1584 CG ARG A2109 -2.696 -2.155 -10.905 1.00 60.44 C ATOM 1585 CD ARG A2109 -1.878 -1.565 -12.056 1.00 54.34 C ATOM 1586 NE ARG A2109 -2.516 -0.322 -12.546 1.00 71.12 N ATOM 1587 CZ ARG A2109 -2.364 0.887 -11.963 1.00 30.25 C ATOM 1588 NH1 ARG A2109 -1.591 1.025 -10.865 1.00 60.15 N ATOM 1589 NH2 ARG A2109 -2.981 1.930 -12.485 1.00 10.21 N ATOM 0 H ARG A2109 -1.054 -1.803 -7.283 1.00 1.12 H new ATOM 0 HA ARG A2109 -3.577 -2.691 -8.300 1.00 31.40 H new ATOM 0 HB2 ARG A2109 -2.465 -0.756 -9.281 1.00 2.11 H new ATOM 0 HB3 ARG A2109 -1.024 -1.692 -9.625 1.00 2.11 H new ATOM 0 HG2 ARG A2109 -2.714 -3.242 -10.987 1.00 60.44 H new ATOM 0 HG3 ARG A2109 -3.729 -1.813 -10.975 1.00 60.44 H new ATOM 0 HD2 ARG A2109 -0.862 -1.354 -11.721 1.00 54.34 H new ATOM 0 HD3 ARG A2109 -1.802 -2.289 -12.867 1.00 54.34 H new ATOM 0 HE ARG A2109 -3.107 -0.382 -13.375 1.00 71.12 H new ATOM 0 HH11 ARG A2109 -1.117 0.213 -10.470 1.00 60.15 H new ATOM 0 HH12 ARG A2109 -1.481 1.941 -10.431 1.00 60.15 H new ATOM 0 HH21 ARG A2109 -3.562 1.816 -13.316 1.00 10.21 H new ATOM 0 HH22 ARG A2109 -2.877 2.850 -12.058 1.00 10.21 H new ATOM 1601 N ARG A2110 -0.890 -4.536 -8.631 1.00 43.23 N ATOM 1602 CA ARG A2110 -0.397 -5.850 -9.005 1.00 41.34 C ATOM 1603 C ARG A2110 -1.126 -6.935 -8.209 1.00 1.54 C ATOM 1604 O ARG A2110 -1.644 -7.890 -8.786 1.00 12.30 O ATOM 1605 CB ARG A2110 1.108 -5.967 -8.755 1.00 74.41 C ATOM 1606 CG ARG A2110 1.905 -5.481 -9.965 1.00 2.04 C ATOM 1607 CD ARG A2110 2.084 -6.603 -10.989 1.00 4.14 C ATOM 1608 NE ARG A2110 1.397 -6.253 -12.251 1.00 61.52 N ATOM 1609 CZ ARG A2110 1.941 -5.494 -13.226 1.00 10.32 C ATOM 1610 NH1 ARG A2110 3.190 -4.999 -13.091 1.00 22.33 N ATOM 1611 NH2 ARG A2110 1.236 -5.244 -14.313 1.00 74.42 N ATOM 0 H ARG A2110 -0.213 -3.950 -8.141 1.00 43.23 H new ATOM 0 HA ARG A2110 -0.587 -5.985 -10.070 1.00 41.34 H new ATOM 0 HB2 ARG A2110 1.381 -5.382 -7.877 1.00 74.41 H new ATOM 0 HB3 ARG A2110 1.365 -7.004 -8.539 1.00 74.41 H new ATOM 0 HG2 ARG A2110 1.392 -4.639 -10.429 1.00 2.04 H new ATOM 0 HG3 ARG A2110 2.881 -5.120 -9.641 1.00 2.04 H new ATOM 0 HD2 ARG A2110 3.145 -6.769 -11.177 1.00 4.14 H new ATOM 0 HD3 ARG A2110 1.681 -7.535 -10.593 1.00 4.14 H new ATOM 0 HE ARG A2110 0.451 -6.608 -12.394 1.00 61.52 H new ATOM 0 HH11 ARG A2110 3.729 -5.198 -12.248 1.00 22.33 H new ATOM 0 HH12 ARG A2110 3.594 -4.426 -13.832 1.00 22.33 H new ATOM 0 HH21 ARG A2110 0.294 -5.623 -14.408 1.00 74.42 H new ATOM 0 HH22 ARG A2110 1.633 -4.672 -15.058 1.00 74.42 H new ATOM 1623 N ILE A2111 -1.141 -6.753 -6.896 1.00 72.20 N ATOM 1624 CA ILE A2111 -1.797 -7.704 -6.016 1.00 20.21 C ATOM 1625 C ILE A2111 -3.164 -8.071 -6.597 1.00 1.24 C ATOM 1626 O ILE A2111 -3.624 -9.202 -6.444 1.00 12.41 O ATOM 1627 CB ILE A2111 -1.862 -7.157 -4.588 1.00 70.55 C ATOM 1628 CG1 ILE A2111 -2.408 -5.727 -4.574 1.00 0.42 C ATOM 1629 CG2 ILE A2111 -0.499 -7.257 -3.900 1.00 62.44 C ATOM 1630 CD1 ILE A2111 -2.565 -5.214 -3.141 1.00 33.12 C ATOM 0 H ILE A2111 -0.709 -5.960 -6.421 1.00 72.20 H new ATOM 0 HA ILE A2111 -1.219 -8.626 -5.953 1.00 20.21 H new ATOM 0 HB ILE A2111 -2.557 -7.773 -4.017 1.00 70.55 H new ATOM 0 HG12 ILE A2111 -1.735 -5.072 -5.127 1.00 0.42 H new ATOM 0 HG13 ILE A2111 -3.372 -5.697 -5.082 1.00 0.42 H new ATOM 0 HG21 ILE A2111 -0.573 -6.862 -2.887 1.00 62.44 H new ATOM 0 HG22 ILE A2111 -0.187 -8.301 -3.860 1.00 62.44 H new ATOM 0 HG23 ILE A2111 0.235 -6.680 -4.462 1.00 62.44 H new ATOM 0 HD11 ILE A2111 -2.954 -4.196 -3.160 1.00 33.12 H new ATOM 0 HD12 ILE A2111 -3.257 -5.857 -2.598 1.00 33.12 H new ATOM 0 HD13 ILE A2111 -1.595 -5.222 -2.643 1.00 33.12 H new ATOM 1642 N SER A2112 -3.775 -7.094 -7.252 1.00 33.32 N ATOM 1643 CA SER A2112 -5.081 -7.300 -7.856 1.00 25.21 C ATOM 1644 C SER A2112 -4.919 -7.841 -9.278 1.00 2.24 C ATOM 1645 O SER A2112 -5.503 -8.868 -9.626 1.00 52.41 O ATOM 1646 CB SER A2112 -5.891 -6.003 -7.869 1.00 65.10 C ATOM 1647 OG SER A2112 -6.194 -5.549 -6.554 1.00 14.50 O ATOM 0 H SER A2112 -3.390 -6.158 -7.378 1.00 33.32 H new ATOM 0 HA SER A2112 -5.625 -8.030 -7.257 1.00 25.21 H new ATOM 0 HB2 SER A2112 -5.332 -5.232 -8.399 1.00 65.10 H new ATOM 0 HB3 SER A2112 -6.818 -6.160 -8.421 1.00 65.10 H new ATOM 0 HG SER A2112 -6.710 -4.718 -6.606 1.00 14.50 H new ATOM 1653 N LYS A2113 -4.125 -7.128 -10.062 1.00 13.50 N ATOM 1654 CA LYS A2113 -3.878 -7.523 -11.438 1.00 44.45 C ATOM 1655 C LYS A2113 -3.643 -9.033 -11.497 1.00 32.23 C ATOM 1656 O LYS A2113 -2.809 -9.564 -10.764 1.00 44.34 O ATOM 1657 CB LYS A2113 -2.737 -6.699 -12.037 1.00 1.43 C ATOM 1658 CG LYS A2113 -3.218 -5.889 -13.242 1.00 12.44 C ATOM 1659 CD LYS A2113 -2.848 -6.584 -14.553 1.00 3.21 C ATOM 1660 CE LYS A2113 -4.057 -6.669 -15.488 1.00 14.42 C ATOM 1661 NZ LYS A2113 -3.750 -7.525 -16.655 1.00 14.24 N ATOM 0 H LYS A2113 -3.643 -6.278 -9.770 1.00 13.50 H new ATOM 0 HA LYS A2113 -4.750 -7.312 -12.056 1.00 44.45 H new ATOM 0 HB2 LYS A2113 -2.333 -6.026 -11.280 1.00 1.43 H new ATOM 0 HB3 LYS A2113 -1.926 -7.361 -12.340 1.00 1.43 H new ATOM 0 HG2 LYS A2113 -4.299 -5.758 -13.188 1.00 12.44 H new ATOM 0 HG3 LYS A2113 -2.774 -4.894 -13.216 1.00 12.44 H new ATOM 0 HD2 LYS A2113 -2.042 -6.038 -15.043 1.00 3.21 H new ATOM 0 HD3 LYS A2113 -2.474 -7.586 -14.345 1.00 3.21 H new ATOM 0 HE2 LYS A2113 -4.914 -7.073 -14.949 1.00 14.42 H new ATOM 0 HE3 LYS A2113 -4.335 -5.670 -15.825 1.00 14.42 H new ATOM 0 HZ1 LYS A2113 -4.581 -7.572 -17.279 1.00 14.24 H new ATOM 0 HZ2 LYS A2113 -2.946 -7.123 -17.178 1.00 14.24 H new ATOM 0 HZ3 LYS A2113 -3.507 -8.482 -16.329 1.00 14.24 H new