USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 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 148:sc= -11.3! (180deg=-9.18!) USER MOD Set 1.2: A2057 MET CE :methyl 172:sc= -3.35! (180deg=-0.401) USER MOD Set 1.3: A2058 MET CE :methyl 143:sc= -18.8! (180deg=-14.8!) USER MOD Single : A2024 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1.1) USER MOD Single : A2028 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-4.7!) USER MOD Single : A2035 SER OG : rot -69:sc= 0.94 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc=-0.00438 K(o=-0.0044,f=-1.1) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -135:sc= -6.42! (180deg=-11.9!) USER MOD Single : A2055 HIS :FLIP no HD1:sc= -1.07 F(o=-1.9!,f=-1.1) USER MOD Single : A2063 GLN : amide:sc= -2.09! C(o=-2.1!,f=-2.8!) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 70:sc= 0.37 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0324 K(o=-0.032,f=-1.1!) USER MOD Single : A2072 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2074 TYR OH : rot 130:sc= -3.95! USER MOD Single : A2079 MET CE :methyl 159:sc= -0.735 (180deg=-1.56!) USER MOD Single : A2082 GLN : amide:sc=-0.00914 X(o=-0.0091,f=-0.00017) USER MOD Single : A2085 CYS SG : rot 93:sc= 0.471 USER MOD Single : A2087 LYS NZ :NH3+ -142:sc= -1.12! (180deg=-2.54!) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl 149:sc= -7.09! (180deg=-7.99!) 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= -0.334 K(o=-0.33,f=-1.9!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 79:sc= 0.219 USER MOD Single : A2099 GLN : amide:sc= -2.92! C(o=-2.9!,f=-5.5!) USER MOD Single : A2104 TYR OH : rot 180:sc= 0 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=-0.00274 (180deg=-0.00274) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -7.920 -12.600 2.445 1.00 63.32 N ATOM 144 CA LEU A2022 -6.480 -12.773 2.527 1.00 2.32 C ATOM 145 C LEU A2022 -5.819 -11.412 2.748 1.00 71.43 C ATOM 146 O LEU A2022 -6.467 -10.471 3.204 1.00 51.05 O ATOM 147 CB LEU A2022 -5.958 -13.517 1.295 1.00 54.13 C ATOM 148 CG LEU A2022 -5.068 -14.730 1.572 1.00 73.11 C ATOM 149 CD1 LEU A2022 -3.953 -14.379 2.557 1.00 41.12 C ATOM 150 CD2 LEU A2022 -5.899 -15.922 2.047 1.00 55.21 C ATOM 0 HA LEU A2022 -6.220 -13.397 3.382 1.00 2.32 H new ATOM 0 HB2 LEU A2022 -6.813 -13.846 0.704 1.00 54.13 H new ATOM 0 HB3 LEU A2022 -5.398 -12.813 0.680 1.00 54.13 H new ATOM 0 HG LEU A2022 -4.590 -15.023 0.637 1.00 73.11 H new ATOM 0 HD11 LEU A2022 -3.335 -15.259 2.736 1.00 41.12 H new ATOM 0 HD12 LEU A2022 -3.337 -13.582 2.140 1.00 41.12 H new ATOM 0 HD13 LEU A2022 -4.390 -14.045 3.498 1.00 41.12 H new ATOM 0 HD21 LEU A2022 -5.242 -16.771 2.237 1.00 55.21 H new ATOM 0 HD22 LEU A2022 -6.424 -15.657 2.965 1.00 55.21 H new ATOM 0 HD23 LEU A2022 -6.624 -16.189 1.279 1.00 55.21 H new ATOM 162 N TRP A2023 -4.538 -11.350 2.416 1.00 73.32 N ATOM 163 CA TRP A2023 -3.783 -10.118 2.574 1.00 52.43 C ATOM 164 C TRP A2023 -4.293 -9.115 1.536 1.00 63.34 C ATOM 165 O TRP A2023 -4.627 -7.982 1.877 1.00 45.22 O ATOM 166 CB TRP A2023 -2.279 -10.379 2.464 1.00 21.14 C ATOM 167 CG TRP A2023 -1.592 -10.629 3.808 1.00 35.50 C ATOM 168 CD1 TRP A2023 -2.164 -10.889 4.992 1.00 61.31 C ATOM 169 CD2 TRP A2023 -0.171 -10.634 4.060 1.00 50.22 C ATOM 170 NE1 TRP A2023 -1.220 -11.060 5.985 1.00 64.14 N ATOM 171 CE2 TRP A2023 0.030 -10.899 5.398 1.00 73.14 C ATOM 172 CE3 TRP A2023 0.908 -10.421 3.185 1.00 43.02 C ATOM 173 CZ2 TRP A2023 1.300 -10.977 5.982 1.00 72.12 C ATOM 174 CZ3 TRP A2023 2.171 -10.501 3.783 1.00 62.13 C ATOM 175 CH2 TRP A2023 2.391 -10.767 5.130 1.00 64.43 C ATOM 0 H TRP A2023 -4.004 -12.132 2.038 1.00 73.32 H new ATOM 0 HA TRP A2023 -3.934 -9.698 3.568 1.00 52.43 H new ATOM 0 HB2 TRP A2023 -2.116 -11.242 1.818 1.00 21.14 H new ATOM 0 HB3 TRP A2023 -1.807 -9.525 1.979 1.00 21.14 H new ATOM 0 HD1 TRP A2023 -3.230 -10.956 5.150 1.00 61.31 H new ATOM 0 HE1 TRP A2023 -1.405 -11.266 6.967 1.00 64.14 H new ATOM 0 HE3 TRP A2023 0.773 -10.212 2.134 1.00 43.02 H new ATOM 0 HZ2 TRP A2023 1.431 -11.188 7.033 1.00 72.12 H new ATOM 0 HZ3 TRP A2023 3.035 -10.345 3.154 1.00 62.13 H new ATOM 0 HH2 TRP A2023 3.398 -10.811 5.517 1.00 64.43 H new ATOM 186 N HIS A2024 -4.336 -9.569 0.291 1.00 14.34 N ATOM 187 CA HIS A2024 -4.798 -8.726 -0.796 1.00 3.03 C ATOM 188 C HIS A2024 -6.086 -8.013 -0.381 1.00 11.20 C ATOM 189 O HIS A2024 -6.424 -6.964 -0.930 1.00 34.05 O ATOM 190 CB HIS A2024 -4.958 -9.539 -2.083 1.00 11.12 C ATOM 191 CG HIS A2024 -3.903 -10.602 -2.272 1.00 61.20 C ATOM 192 ND1 HIS A2024 -4.061 -11.903 -1.825 1.00 51.04 N ATOM 193 CD2 HIS A2024 -2.676 -10.546 -2.866 1.00 74.13 C ATOM 194 CE1 HIS A2024 -2.972 -12.588 -2.140 1.00 63.22 C ATOM 195 NE2 HIS A2024 -2.115 -11.745 -2.785 1.00 4.30 N ATOM 0 H HIS A2024 -4.058 -10.510 0.013 1.00 14.34 H new ATOM 0 HA HIS A2024 -4.053 -7.960 -1.009 1.00 3.03 H new ATOM 0 HB2 HIS A2024 -5.940 -10.012 -2.082 1.00 11.12 H new ATOM 0 HB3 HIS A2024 -4.932 -8.860 -2.935 1.00 11.12 H new ATOM 0 HD2 HIS A2024 -2.236 -9.673 -3.325 1.00 74.13 H new ATOM 0 HE1 HIS A2024 -2.794 -13.631 -1.924 1.00 63.22 H new ATOM 0 HE2 HIS A2024 -1.194 -11.996 -3.146 1.00 4.30 H new ATOM 204 N GLU A2025 -6.771 -8.609 0.584 1.00 42.43 N ATOM 205 CA GLU A2025 -8.014 -8.045 1.079 1.00 55.32 C ATOM 206 C GLU A2025 -7.737 -6.768 1.874 1.00 32.23 C ATOM 207 O GLU A2025 -8.475 -5.789 1.762 1.00 2.31 O ATOM 208 CB GLU A2025 -8.781 -9.063 1.926 1.00 44.31 C ATOM 209 CG GLU A2025 -10.212 -8.593 2.186 1.00 34.11 C ATOM 210 CD GLU A2025 -10.634 -8.893 3.625 1.00 21.15 C ATOM 211 OE1 GLU A2025 -9.810 -8.798 4.547 1.00 71.14 O ATOM 212 OE2 GLU A2025 -11.869 -9.236 3.772 1.00 63.33 O ATOM 0 H GLU A2025 -6.488 -9.478 1.036 1.00 42.43 H new ATOM 0 HA GLU A2025 -8.640 -7.790 0.224 1.00 55.32 H new ATOM 0 HB2 GLU A2025 -8.798 -10.026 1.416 1.00 44.31 H new ATOM 0 HB3 GLU A2025 -8.266 -9.214 2.875 1.00 44.31 H new ATOM 0 HG2 GLU A2025 -10.287 -7.522 1.997 1.00 34.11 H new ATOM 0 HG3 GLU A2025 -10.893 -9.087 1.493 1.00 34.11 H new ATOM 220 N MET A2026 -6.672 -6.818 2.663 1.00 53.14 N ATOM 221 CA MET A2026 -6.290 -5.678 3.478 1.00 44.32 C ATOM 222 C MET A2026 -5.777 -4.530 2.607 1.00 41.21 C ATOM 223 O MET A2026 -5.959 -3.361 2.944 1.00 40.54 O ATOM 224 CB MET A2026 -5.197 -6.098 4.463 1.00 23.21 C ATOM 225 CG MET A2026 -3.816 -6.038 3.808 1.00 52.23 C ATOM 226 SD MET A2026 -3.119 -4.406 4.004 1.00 32.22 S ATOM 227 CE MET A2026 -1.381 -4.811 4.019 1.00 41.53 C ATOM 0 H MET A2026 -6.062 -7.631 2.754 1.00 53.14 H new ATOM 0 HA MET A2026 -7.169 -5.333 4.022 1.00 44.32 H new ATOM 0 HB2 MET A2026 -5.218 -5.445 5.335 1.00 23.21 H new ATOM 0 HB3 MET A2026 -5.392 -7.110 4.818 1.00 23.21 H new ATOM 0 HG2 MET A2026 -3.158 -6.780 4.259 1.00 52.23 H new ATOM 0 HG3 MET A2026 -3.895 -6.284 2.749 1.00 52.23 H new ATOM 0 HE1 MET A2026 -0.813 -3.993 3.577 1.00 41.53 H new ATOM 0 HE2 MET A2026 -1.053 -4.967 5.047 1.00 41.53 H new ATOM 0 HE3 MET A2026 -1.215 -5.721 3.443 1.00 41.53 H new ATOM 237 N TRP A2027 -5.147 -4.901 1.503 1.00 42.15 N ATOM 238 CA TRP A2027 -4.605 -3.918 0.581 1.00 71.33 C ATOM 239 C TRP A2027 -5.780 -3.186 -0.073 1.00 34.23 C ATOM 240 O TRP A2027 -5.818 -1.957 -0.091 1.00 63.04 O ATOM 241 CB TRP A2027 -3.672 -4.575 -0.437 1.00 62.35 C ATOM 242 CG TRP A2027 -2.369 -5.104 0.164 1.00 51.51 C ATOM 243 CD1 TRP A2027 -2.190 -6.205 0.907 1.00 74.34 C ATOM 244 CD2 TRP A2027 -1.061 -4.506 0.044 1.00 40.40 C ATOM 245 NE1 TRP A2027 -0.869 -6.360 1.274 1.00 43.25 N ATOM 246 CE2 TRP A2027 -0.159 -5.293 0.731 1.00 30.55 C ATOM 247 CE3 TRP A2027 -0.652 -3.339 -0.623 1.00 51.24 C ATOM 248 CZ2 TRP A2027 1.207 -4.999 0.818 1.00 34.41 C ATOM 249 CZ3 TRP A2027 0.716 -3.057 -0.527 1.00 23.00 C ATOM 250 CH2 TRP A2027 1.636 -3.839 0.161 1.00 71.51 C ATOM 0 H TRP A2027 -4.999 -5.871 1.225 1.00 42.15 H new ATOM 0 HA TRP A2027 -3.991 -3.190 1.112 1.00 71.33 H new ATOM 0 HB2 TRP A2027 -4.199 -5.399 -0.918 1.00 62.35 H new ATOM 0 HB3 TRP A2027 -3.433 -3.851 -1.216 1.00 62.35 H new ATOM 0 HD1 TRP A2027 -2.981 -6.886 1.184 1.00 74.34 H new ATOM 0 HE1 TRP A2027 -0.484 -7.117 1.839 1.00 43.25 H new ATOM 0 HE3 TRP A2027 -1.339 -2.709 -1.167 1.00 51.24 H new ATOM 0 HZ2 TRP A2027 1.892 -5.632 1.362 1.00 34.41 H new ATOM 0 HZ3 TRP A2027 1.082 -2.170 -1.022 1.00 23.00 H new ATOM 0 HH2 TRP A2027 2.677 -3.553 0.189 1.00 71.51 H new ATOM 261 N HIS A2028 -6.711 -3.973 -0.591 1.00 74.53 N ATOM 262 CA HIS A2028 -7.885 -3.415 -1.241 1.00 71.01 C ATOM 263 C HIS A2028 -8.678 -2.573 -0.239 1.00 3.12 C ATOM 264 O HIS A2028 -8.981 -1.411 -0.502 1.00 10.24 O ATOM 265 CB HIS A2028 -8.727 -4.519 -1.885 1.00 3.43 C ATOM 266 CG HIS A2028 -10.139 -4.601 -1.358 1.00 24.12 C ATOM 267 ND1 HIS A2028 -11.012 -3.527 -1.379 1.00 40.22 N ATOM 268 CD2 HIS A2028 -10.822 -5.640 -0.797 1.00 4.31 C ATOM 269 CE1 HIS A2028 -12.163 -3.911 -0.850 1.00 24.44 C ATOM 270 NE2 HIS A2028 -12.044 -5.222 -0.489 1.00 63.43 N ATOM 0 H HIS A2028 -6.677 -4.992 -0.574 1.00 74.53 H new ATOM 0 HA HIS A2028 -7.575 -2.755 -2.051 1.00 71.01 H new ATOM 0 HB2 HIS A2028 -8.761 -4.354 -2.962 1.00 3.43 H new ATOM 0 HB3 HIS A2028 -8.234 -5.478 -1.725 1.00 3.43 H new ATOM 0 HD2 HIS A2028 -10.434 -6.634 -0.631 1.00 4.31 H new ATOM 0 HE1 HIS A2028 -13.042 -3.295 -0.726 1.00 24.44 H new ATOM 0 HE2 HIS A2028 -12.773 -5.787 -0.054 1.00 63.43 H new ATOM 279 N GLU A2029 -8.991 -3.196 0.889 1.00 61.31 N ATOM 280 CA GLU A2029 -9.742 -2.519 1.932 1.00 70.53 C ATOM 281 C GLU A2029 -8.993 -1.270 2.401 1.00 43.30 C ATOM 282 O GLU A2029 -9.591 -0.207 2.564 1.00 21.01 O ATOM 283 CB GLU A2029 -10.025 -3.461 3.104 1.00 43.21 C ATOM 284 CG GLU A2029 -10.683 -4.755 2.619 1.00 32.11 C ATOM 285 CD GLU A2029 -12.184 -4.751 2.916 1.00 74.22 C ATOM 286 OE1 GLU A2029 -12.851 -3.723 2.727 1.00 52.34 O ATOM 287 OE2 GLU A2029 -12.656 -5.867 3.357 1.00 42.43 O ATOM 0 H GLU A2029 -8.738 -4.161 1.102 1.00 61.31 H new ATOM 0 HA GLU A2029 -10.701 -2.209 1.518 1.00 70.53 H new ATOM 0 HB2 GLU A2029 -9.094 -3.694 3.622 1.00 43.21 H new ATOM 0 HB3 GLU A2029 -10.675 -2.966 3.825 1.00 43.21 H new ATOM 0 HG2 GLU A2029 -10.521 -4.870 1.547 1.00 32.11 H new ATOM 0 HG3 GLU A2029 -10.214 -5.610 3.106 1.00 32.11 H new ATOM 295 N GLY A2030 -7.696 -1.439 2.606 1.00 3.01 N ATOM 296 CA GLY A2030 -6.858 -0.340 3.052 1.00 15.41 C ATOM 297 C GLY A2030 -7.047 0.890 2.165 1.00 64.02 C ATOM 298 O GLY A2030 -7.513 1.931 2.628 1.00 71.22 O ATOM 0 H GLY A2030 -7.204 -2.322 2.471 1.00 3.01 H new ATOM 0 HA2 GLY A2030 -7.101 -0.089 4.084 1.00 15.41 H new ATOM 0 HA3 GLY A2030 -5.812 -0.646 3.036 1.00 15.41 H new ATOM 302 N LEU A2031 -6.677 0.732 0.902 1.00 22.41 N ATOM 303 CA LEU A2031 -6.800 1.817 -0.056 1.00 63.44 C ATOM 304 C LEU A2031 -8.253 2.295 -0.095 1.00 74.54 C ATOM 305 O LEU A2031 -8.517 3.476 -0.313 1.00 11.44 O ATOM 306 CB LEU A2031 -6.257 1.392 -1.422 1.00 33.13 C ATOM 307 CG LEU A2031 -4.869 0.749 -1.420 1.00 5.43 C ATOM 308 CD1 LEU A2031 -4.196 0.893 -2.787 1.00 21.33 C ATOM 309 CD2 LEU A2031 -4.004 1.314 -0.293 1.00 14.41 C ATOM 0 H LEU A2031 -6.292 -0.132 0.520 1.00 22.41 H new ATOM 0 HA LEU A2031 -6.191 2.667 0.253 1.00 63.44 H new ATOM 0 HB2 LEU A2031 -6.961 0.689 -1.868 1.00 33.13 H new ATOM 0 HB3 LEU A2031 -6.229 2.269 -2.069 1.00 33.13 H new ATOM 0 HG LEU A2031 -4.987 -0.318 -1.230 1.00 5.43 H new ATOM 0 HD11 LEU A2031 -3.211 0.428 -2.758 1.00 21.33 H new ATOM 0 HD12 LEU A2031 -4.806 0.404 -3.546 1.00 21.33 H new ATOM 0 HD13 LEU A2031 -4.091 1.950 -3.031 1.00 21.33 H new ATOM 0 HD21 LEU A2031 -3.023 0.840 -0.315 1.00 14.41 H new ATOM 0 HD22 LEU A2031 -3.890 2.390 -0.426 1.00 14.41 H new ATOM 0 HD23 LEU A2031 -4.482 1.116 0.667 1.00 14.41 H new ATOM 321 N GLU A2032 -9.160 1.352 0.119 1.00 41.24 N ATOM 322 CA GLU A2032 -10.579 1.661 0.112 1.00 61.34 C ATOM 323 C GLU A2032 -10.880 2.797 1.091 1.00 42.03 C ATOM 324 O GLU A2032 -11.460 3.812 0.711 1.00 52.43 O ATOM 325 CB GLU A2032 -11.413 0.421 0.438 1.00 10.25 C ATOM 326 CG GLU A2032 -12.277 0.012 -0.755 1.00 61.13 C ATOM 327 CD GLU A2032 -13.650 -0.482 -0.294 1.00 54.42 C ATOM 328 OE1 GLU A2032 -14.112 -0.101 0.792 1.00 70.52 O ATOM 329 OE2 GLU A2032 -14.243 -1.288 -1.107 1.00 32.22 O ATOM 0 H GLU A2032 -8.938 0.373 0.298 1.00 41.24 H new ATOM 0 HA GLU A2032 -10.854 1.989 -0.891 1.00 61.34 H new ATOM 0 HB2 GLU A2032 -10.754 -0.402 0.714 1.00 10.25 H new ATOM 0 HB3 GLU A2032 -12.049 0.623 1.300 1.00 10.25 H new ATOM 0 HG2 GLU A2032 -12.399 0.861 -1.428 1.00 61.13 H new ATOM 0 HG3 GLU A2032 -11.775 -0.773 -1.320 1.00 61.13 H new ATOM 337 N GLU A2033 -10.471 2.587 2.335 1.00 64.23 N ATOM 338 CA GLU A2033 -10.690 3.581 3.371 1.00 14.51 C ATOM 339 C GLU A2033 -9.756 4.776 3.168 1.00 25.22 C ATOM 340 O GLU A2033 -10.187 5.925 3.236 1.00 72.12 O ATOM 341 CB GLU A2033 -10.504 2.972 4.763 1.00 31.41 C ATOM 342 CG GLU A2033 -11.487 3.582 5.763 1.00 51.51 C ATOM 343 CD GLU A2033 -11.732 2.635 6.938 1.00 30.34 C ATOM 344 OE1 GLU A2033 -11.539 1.416 6.804 1.00 63.24 O ATOM 345 OE2 GLU A2033 -12.137 3.204 8.024 1.00 22.35 O ATOM 0 H GLU A2033 -9.990 1.744 2.647 1.00 64.23 H new ATOM 0 HA GLU A2033 -11.719 3.932 3.297 1.00 14.51 H new ATOM 0 HB2 GLU A2033 -10.651 1.893 4.715 1.00 31.41 H new ATOM 0 HB3 GLU A2033 -9.482 3.139 5.104 1.00 31.41 H new ATOM 0 HG2 GLU A2033 -11.095 4.530 6.131 1.00 51.51 H new ATOM 0 HG3 GLU A2033 -12.431 3.800 5.264 1.00 51.51 H new ATOM 353 N ALA A2034 -8.492 4.463 2.920 1.00 50.32 N ATOM 354 CA ALA A2034 -7.493 5.497 2.705 1.00 1.23 C ATOM 355 C ALA A2034 -7.985 6.457 1.621 1.00 11.53 C ATOM 356 O ALA A2034 -7.947 7.673 1.801 1.00 33.31 O ATOM 357 CB ALA A2034 -6.155 4.846 2.345 1.00 73.11 C ATOM 0 H ALA A2034 -8.137 3.508 2.863 1.00 50.32 H new ATOM 0 HA ALA A2034 -7.339 6.078 3.614 1.00 1.23 H new ATOM 0 HB1 ALA A2034 -5.405 5.621 2.184 1.00 73.11 H new ATOM 0 HB2 ALA A2034 -5.836 4.196 3.160 1.00 73.11 H new ATOM 0 HB3 ALA A2034 -6.270 4.257 1.435 1.00 73.11 H new ATOM 363 N SER A2035 -8.433 5.875 0.519 1.00 71.13 N ATOM 364 CA SER A2035 -8.932 6.665 -0.594 1.00 73.31 C ATOM 365 C SER A2035 -10.154 7.474 -0.156 1.00 20.34 C ATOM 366 O SER A2035 -10.292 8.643 -0.514 1.00 5.22 O ATOM 367 CB SER A2035 -9.285 5.775 -1.787 1.00 51.13 C ATOM 368 OG SER A2035 -10.421 4.955 -1.525 1.00 22.53 O ATOM 0 H SER A2035 -8.461 4.866 0.373 1.00 71.13 H new ATOM 0 HA SER A2035 -8.144 7.350 -0.907 1.00 73.31 H new ATOM 0 HB2 SER A2035 -9.482 6.399 -2.659 1.00 51.13 H new ATOM 0 HB3 SER A2035 -8.431 5.144 -2.033 1.00 51.13 H new ATOM 0 HG SER A2035 -10.190 4.282 -0.851 1.00 22.53 H new ATOM 374 N ARG A2036 -11.013 6.819 0.614 1.00 1.43 N ATOM 375 CA ARG A2036 -12.219 7.464 1.105 1.00 32.24 C ATOM 376 C ARG A2036 -11.863 8.721 1.900 1.00 21.22 C ATOM 377 O ARG A2036 -12.590 9.713 1.860 1.00 61.43 O ATOM 378 CB ARG A2036 -13.026 6.517 1.995 1.00 1.32 C ATOM 379 CG ARG A2036 -14.522 6.817 1.901 1.00 72.34 C ATOM 380 CD ARG A2036 -15.114 7.093 3.285 1.00 31.34 C ATOM 381 NE ARG A2036 -16.535 6.678 3.321 1.00 0.05 N ATOM 382 CZ ARG A2036 -16.947 5.404 3.501 1.00 44.14 C ATOM 383 NH1 ARG A2036 -16.049 4.410 3.666 1.00 50.23 N ATOM 384 NH2 ARG A2036 -18.241 5.147 3.515 1.00 2.13 N ATOM 0 H ARG A2036 -10.897 5.850 0.909 1.00 1.43 H new ATOM 0 HA ARG A2036 -12.825 7.737 0.241 1.00 32.24 H new ATOM 0 HB2 ARG A2036 -12.839 5.485 1.697 1.00 1.32 H new ATOM 0 HB3 ARG A2036 -12.696 6.615 3.029 1.00 1.32 H new ATOM 0 HG2 ARG A2036 -14.684 7.679 1.254 1.00 72.34 H new ATOM 0 HG3 ARG A2036 -15.038 5.973 1.443 1.00 72.34 H new ATOM 0 HD2 ARG A2036 -14.550 6.553 4.045 1.00 31.34 H new ATOM 0 HD3 ARG A2036 -15.031 8.154 3.520 1.00 31.34 H new ATOM 0 HE ARG A2036 -17.247 7.399 3.203 1.00 0.05 H new ATOM 0 HH11 ARG A2036 -15.050 4.618 3.655 1.00 50.23 H new ATOM 0 HH12 ARG A2036 -16.369 3.451 3.801 1.00 50.23 H new ATOM 0 HH21 ARG A2036 -18.913 5.904 3.391 1.00 2.13 H new ATOM 0 HH22 ARG A2036 -18.570 4.191 3.650 1.00 2.13 H new ATOM 396 N LEU A2037 -10.746 8.640 2.607 1.00 3.42 N ATOM 397 CA LEU A2037 -10.285 9.760 3.411 1.00 23.40 C ATOM 398 C LEU A2037 -9.796 10.877 2.487 1.00 43.44 C ATOM 399 O LEU A2037 -10.128 12.044 2.690 1.00 53.32 O ATOM 400 CB LEU A2037 -9.237 9.296 4.424 1.00 2.53 C ATOM 401 CG LEU A2037 -9.697 8.236 5.428 1.00 60.11 C ATOM 402 CD1 LEU A2037 -8.681 7.098 5.528 1.00 31.21 C ATOM 403 CD2 LEU A2037 -9.990 8.864 6.792 1.00 54.22 C ATOM 0 H LEU A2037 -10.146 7.816 2.640 1.00 3.42 H new ATOM 0 HA LEU A2037 -11.105 10.170 4.001 1.00 23.40 H new ATOM 0 HB2 LEU A2037 -8.381 8.902 3.876 1.00 2.53 H new ATOM 0 HB3 LEU A2037 -8.887 10.166 4.979 1.00 2.53 H new ATOM 0 HG LEU A2037 -10.629 7.804 5.065 1.00 60.11 H new ATOM 0 HD11 LEU A2037 -9.032 6.359 6.248 1.00 31.21 H new ATOM 0 HD12 LEU A2037 -8.565 6.627 4.552 1.00 31.21 H new ATOM 0 HD13 LEU A2037 -7.720 7.496 5.856 1.00 31.21 H new ATOM 0 HD21 LEU A2037 -10.315 8.090 7.487 1.00 54.22 H new ATOM 0 HD22 LEU A2037 -9.087 9.340 7.175 1.00 54.22 H new ATOM 0 HD23 LEU A2037 -10.777 9.611 6.687 1.00 54.22 H new ATOM 415 N TYR A2038 -9.015 10.480 1.493 1.00 42.24 N ATOM 416 CA TYR A2038 -8.478 11.434 0.539 1.00 41.53 C ATOM 417 C TYR A2038 -9.596 12.256 -0.106 1.00 5.42 C ATOM 418 O TYR A2038 -9.575 13.484 -0.059 1.00 54.14 O ATOM 419 CB TYR A2038 -7.783 10.603 -0.542 1.00 74.21 C ATOM 420 CG TYR A2038 -7.015 11.436 -1.571 1.00 70.32 C ATOM 421 CD1 TYR A2038 -5.946 12.214 -1.170 1.00 21.31 C ATOM 422 CD2 TYR A2038 -7.388 11.410 -2.898 1.00 22.12 C ATOM 423 CE1 TYR A2038 -5.224 12.998 -2.137 1.00 3.54 C ATOM 424 CE2 TYR A2038 -6.666 12.194 -3.865 1.00 24.34 C ATOM 425 CZ TYR A2038 -5.619 12.948 -3.438 1.00 12.23 C ATOM 426 OH TYR A2038 -4.936 13.689 -4.352 1.00 52.22 O ATOM 0 H TYR A2038 -8.742 9.511 1.328 1.00 42.24 H new ATOM 0 HA TYR A2038 -7.800 12.130 1.033 1.00 41.53 H new ATOM 0 HB2 TYR A2038 -7.092 9.909 -0.064 1.00 74.21 H new ATOM 0 HB3 TYR A2038 -8.530 10.003 -1.061 1.00 74.21 H new ATOM 0 HD1 TYR A2038 -5.652 12.234 -0.131 1.00 21.31 H new ATOM 0 HD2 TYR A2038 -8.223 10.801 -3.212 1.00 22.12 H new ATOM 0 HE1 TYR A2038 -4.388 13.612 -1.837 1.00 3.54 H new ATOM 0 HE2 TYR A2038 -6.950 12.183 -4.907 1.00 24.34 H new ATOM 0 HH TYR A2038 -5.328 13.555 -5.240 1.00 52.22 H new ATOM 501 N ASN A2043 -8.261 14.536 3.484 1.00 74.45 N ATOM 502 CA ASN A2043 -7.564 14.141 4.696 1.00 3.32 C ATOM 503 C ASN A2043 -6.694 12.917 4.402 1.00 20.53 C ATOM 504 O ASN A2043 -7.110 11.784 4.643 1.00 3.53 O ATOM 505 CB ASN A2043 -8.550 13.766 5.803 1.00 52.32 C ATOM 506 CG ASN A2043 -9.235 15.010 6.373 1.00 62.41 C ATOM 507 OD1 ASN A2043 -8.997 16.130 5.949 1.00 34.04 O ATOM 508 ND2 ASN A2043 -10.095 14.752 7.354 1.00 73.21 N ATOM 0 HA ASN A2043 -6.958 14.984 5.026 1.00 3.32 H new ATOM 0 HB2 ASN A2043 -9.301 13.081 5.409 1.00 52.32 H new ATOM 0 HB3 ASN A2043 -8.025 13.239 6.599 1.00 52.32 H new ATOM 0 HD21 ASN A2043 -10.603 15.515 7.801 1.00 73.21 H new ATOM 0 HD22 ASN A2043 -10.246 13.791 7.660 1.00 73.21 H new ATOM 515 N VAL A2044 -5.505 13.185 3.886 1.00 52.43 N ATOM 516 CA VAL A2044 -4.574 12.120 3.556 1.00 11.30 C ATOM 517 C VAL A2044 -4.164 11.392 4.838 1.00 31.25 C ATOM 518 O VAL A2044 -3.720 10.246 4.791 1.00 2.21 O ATOM 519 CB VAL A2044 -3.379 12.688 2.785 1.00 31.03 C ATOM 520 CG1 VAL A2044 -2.244 11.666 2.705 1.00 64.30 C ATOM 521 CG2 VAL A2044 -3.799 13.154 1.390 1.00 73.22 C ATOM 0 H VAL A2044 -5.164 14.126 3.688 1.00 52.43 H new ATOM 0 HA VAL A2044 -5.048 11.388 2.902 1.00 11.30 H new ATOM 0 HB VAL A2044 -3.009 13.557 3.330 1.00 31.03 H new ATOM 0 HG11 VAL A2044 -1.407 12.094 2.153 1.00 64.30 H new ATOM 0 HG12 VAL A2044 -1.918 11.404 3.712 1.00 64.30 H new ATOM 0 HG13 VAL A2044 -2.596 10.770 2.194 1.00 64.30 H new ATOM 0 HG21 VAL A2044 -2.932 13.553 0.863 1.00 73.22 H new ATOM 0 HG22 VAL A2044 -4.206 12.311 0.832 1.00 73.22 H new ATOM 0 HG23 VAL A2044 -4.558 13.931 1.479 1.00 73.22 H new ATOM 531 N LYS A2045 -4.331 12.084 5.955 1.00 51.23 N ATOM 532 CA LYS A2045 -3.986 11.518 7.248 1.00 64.45 C ATOM 533 C LYS A2045 -4.648 10.147 7.391 1.00 11.22 C ATOM 534 O LYS A2045 -4.036 9.207 7.895 1.00 63.12 O ATOM 535 CB LYS A2045 -4.339 12.493 8.372 1.00 31.12 C ATOM 536 CG LYS A2045 -5.690 13.165 8.111 1.00 63.32 C ATOM 537 CD LYS A2045 -5.500 14.574 7.546 1.00 31.31 C ATOM 538 CE LYS A2045 -5.545 15.623 8.660 1.00 70.40 C ATOM 539 NZ LYS A2045 -4.882 16.872 8.223 1.00 14.54 N ATOM 0 H LYS A2045 -4.702 13.034 5.991 1.00 51.23 H new ATOM 0 HA LYS A2045 -2.910 11.362 7.321 1.00 64.45 H new ATOM 0 HB2 LYS A2045 -4.371 11.961 9.323 1.00 31.12 H new ATOM 0 HB3 LYS A2045 -3.562 13.252 8.457 1.00 31.12 H new ATOM 0 HG2 LYS A2045 -6.270 12.564 7.411 1.00 63.32 H new ATOM 0 HG3 LYS A2045 -6.261 13.215 9.038 1.00 63.32 H new ATOM 0 HD2 LYS A2045 -4.545 14.634 7.023 1.00 31.31 H new ATOM 0 HD3 LYS A2045 -6.279 14.784 6.813 1.00 31.31 H new ATOM 0 HE2 LYS A2045 -6.580 15.830 8.931 1.00 70.40 H new ATOM 0 HE3 LYS A2045 -5.053 15.236 9.552 1.00 70.40 H new ATOM 0 HZ1 LYS A2045 -4.921 17.573 8.990 1.00 14.54 H new ATOM 0 HZ2 LYS A2045 -3.889 16.673 7.986 1.00 14.54 H new ATOM 0 HZ3 LYS A2045 -5.369 17.249 7.385 1.00 14.54 H new ATOM 552 N GLY A2046 -5.893 10.077 6.940 1.00 0.54 N ATOM 553 CA GLY A2046 -6.645 8.836 7.012 1.00 34.43 C ATOM 554 C GLY A2046 -5.865 7.683 6.380 1.00 21.15 C ATOM 555 O GLY A2046 -5.648 6.653 7.016 1.00 21.42 O ATOM 0 H GLY A2046 -6.399 10.859 6.524 1.00 0.54 H new ATOM 0 HA2 GLY A2046 -6.867 8.602 8.053 1.00 34.43 H new ATOM 0 HA3 GLY A2046 -7.601 8.956 6.501 1.00 34.43 H new ATOM 559 N MET A2047 -5.464 7.894 5.134 1.00 54.04 N ATOM 560 CA MET A2047 -4.712 6.885 4.408 1.00 53.01 C ATOM 561 C MET A2047 -3.435 6.506 5.161 1.00 72.01 C ATOM 562 O MET A2047 -3.177 5.326 5.397 1.00 41.23 O ATOM 563 CB MET A2047 -4.347 7.419 3.021 1.00 73.14 C ATOM 564 CG MET A2047 -3.303 6.527 2.347 1.00 51.33 C ATOM 565 SD MET A2047 -1.662 7.041 2.824 1.00 61.12 S ATOM 566 CE MET A2047 -1.662 8.709 2.190 1.00 23.44 C ATOM 0 H MET A2047 -5.646 8.749 4.609 1.00 54.04 H new ATOM 0 HA MET A2047 -5.333 5.995 4.312 1.00 53.01 H new ATOM 0 HB2 MET A2047 -5.242 7.471 2.400 1.00 73.14 H new ATOM 0 HB3 MET A2047 -3.961 8.435 3.109 1.00 73.14 H new ATOM 0 HG2 MET A2047 -3.464 5.487 2.630 1.00 51.33 H new ATOM 0 HG3 MET A2047 -3.410 6.583 1.264 1.00 51.33 H new ATOM 0 HE1 MET A2047 -0.724 8.900 1.669 1.00 23.44 H new ATOM 0 HE2 MET A2047 -2.494 8.835 1.497 1.00 23.44 H new ATOM 0 HE3 MET A2047 -1.768 9.412 3.016 1.00 23.44 H new ATOM 576 N PHE A2048 -2.670 7.528 5.518 1.00 65.50 N ATOM 577 CA PHE A2048 -1.427 7.316 6.239 1.00 72.10 C ATOM 578 C PHE A2048 -1.649 6.429 7.467 1.00 43.35 C ATOM 579 O PHE A2048 -0.878 5.504 7.717 1.00 4.31 O ATOM 580 CB PHE A2048 -0.938 8.690 6.700 1.00 34.33 C ATOM 581 CG PHE A2048 -0.295 9.525 5.593 1.00 62.15 C ATOM 582 CD1 PHE A2048 0.535 8.935 4.690 1.00 2.05 C ATOM 583 CD2 PHE A2048 -0.550 10.859 5.510 1.00 25.53 C ATOM 584 CE1 PHE A2048 1.132 9.710 3.661 1.00 34.20 C ATOM 585 CE2 PHE A2048 0.048 11.634 4.481 1.00 15.24 C ATOM 586 CZ PHE A2048 0.876 11.044 3.579 1.00 50.11 C ATOM 0 H PHE A2048 -2.888 8.505 5.321 1.00 65.50 H new ATOM 0 HA PHE A2048 -0.702 6.821 5.593 1.00 72.10 H new ATOM 0 HB2 PHE A2048 -1.780 9.243 7.116 1.00 34.33 H new ATOM 0 HB3 PHE A2048 -0.216 8.556 7.506 1.00 34.33 H new ATOM 0 HD1 PHE A2048 0.740 7.877 4.756 1.00 2.05 H new ATOM 0 HD2 PHE A2048 -1.207 11.329 6.227 1.00 25.53 H new ATOM 0 HE1 PHE A2048 1.789 9.241 2.944 1.00 34.20 H new ATOM 0 HE2 PHE A2048 -0.155 12.693 4.415 1.00 15.24 H new ATOM 0 HZ PHE A2048 1.331 11.634 2.797 1.00 50.11 H new ATOM 596 N GLU A2049 -2.709 6.741 8.198 1.00 5.31 N ATOM 597 CA GLU A2049 -3.042 5.983 9.393 1.00 51.33 C ATOM 598 C GLU A2049 -3.628 4.624 9.013 1.00 30.25 C ATOM 599 O GLU A2049 -3.720 3.726 9.849 1.00 44.40 O ATOM 600 CB GLU A2049 -4.007 6.765 10.287 1.00 62.05 C ATOM 601 CG GLU A2049 -5.357 6.962 9.595 1.00 53.15 C ATOM 602 CD GLU A2049 -6.431 7.386 10.601 1.00 4.41 C ATOM 603 OE1 GLU A2049 -6.491 8.563 10.983 1.00 5.51 O ATOM 604 OE2 GLU A2049 -7.220 6.441 10.983 1.00 32.12 O ATOM 0 H GLU A2049 -3.348 7.507 7.987 1.00 5.31 H new ATOM 0 HA GLU A2049 -2.126 5.816 9.960 1.00 51.33 H new ATOM 0 HB2 GLU A2049 -4.150 6.232 11.227 1.00 62.05 H new ATOM 0 HB3 GLU A2049 -3.575 7.735 10.533 1.00 62.05 H new ATOM 0 HG2 GLU A2049 -5.264 7.719 8.816 1.00 53.15 H new ATOM 0 HG3 GLU A2049 -5.657 6.036 9.105 1.00 53.15 H new ATOM 612 N VAL A2050 -4.012 4.511 7.749 1.00 31.51 N ATOM 613 CA VAL A2050 -4.587 3.275 7.247 1.00 62.14 C ATOM 614 C VAL A2050 -3.463 2.333 6.814 1.00 15.14 C ATOM 615 O VAL A2050 -3.491 1.144 7.126 1.00 4.35 O ATOM 616 CB VAL A2050 -5.579 3.579 6.121 1.00 65.33 C ATOM 617 CG1 VAL A2050 -5.972 2.301 5.380 1.00 22.10 C ATOM 618 CG2 VAL A2050 -6.814 4.302 6.659 1.00 61.13 C ATOM 0 H VAL A2050 -3.936 5.257 7.057 1.00 31.51 H new ATOM 0 HA VAL A2050 -5.150 2.770 8.032 1.00 62.14 H new ATOM 0 HB VAL A2050 -5.087 4.242 5.410 1.00 65.33 H new ATOM 0 HG11 VAL A2050 -6.677 2.544 4.585 1.00 22.10 H new ATOM 0 HG12 VAL A2050 -5.082 1.842 4.948 1.00 22.10 H new ATOM 0 HG13 VAL A2050 -6.437 1.604 6.078 1.00 22.10 H new ATOM 0 HG21 VAL A2050 -7.502 4.506 5.839 1.00 61.13 H new ATOM 0 HG22 VAL A2050 -7.309 3.675 7.400 1.00 61.13 H new ATOM 0 HG23 VAL A2050 -6.513 5.242 7.122 1.00 61.13 H new ATOM 628 N LEU A2051 -2.499 2.900 6.105 1.00 42.35 N ATOM 629 CA LEU A2051 -1.366 2.125 5.626 1.00 73.31 C ATOM 630 C LEU A2051 -0.395 1.882 6.783 1.00 43.11 C ATOM 631 O LEU A2051 0.126 0.779 6.940 1.00 52.44 O ATOM 632 CB LEU A2051 -0.723 2.806 4.416 1.00 13.41 C ATOM 633 CG LEU A2051 -1.647 3.684 3.570 1.00 33.32 C ATOM 634 CD1 LEU A2051 -1.057 3.924 2.180 1.00 15.55 C ATOM 635 CD2 LEU A2051 -3.055 3.089 3.500 1.00 1.14 C ATOM 0 H LEU A2051 -2.478 3.887 5.850 1.00 42.35 H new ATOM 0 HA LEU A2051 -1.695 1.147 5.274 1.00 73.31 H new ATOM 0 HB2 LEU A2051 0.106 3.420 4.768 1.00 13.41 H new ATOM 0 HB3 LEU A2051 -0.299 2.035 3.773 1.00 13.41 H new ATOM 0 HG LEU A2051 -1.731 4.657 4.055 1.00 33.32 H new ATOM 0 HD11 LEU A2051 -1.735 4.551 1.600 1.00 15.55 H new ATOM 0 HD12 LEU A2051 -0.093 4.423 2.275 1.00 15.55 H new ATOM 0 HD13 LEU A2051 -0.922 2.969 1.672 1.00 15.55 H new ATOM 0 HD21 LEU A2051 -3.692 3.732 2.893 1.00 1.14 H new ATOM 0 HD22 LEU A2051 -3.009 2.097 3.052 1.00 1.14 H new ATOM 0 HD23 LEU A2051 -3.469 3.014 4.506 1.00 1.14 H new ATOM 647 N GLU A2052 -0.182 2.931 7.565 1.00 13.50 N ATOM 648 CA GLU A2052 0.718 2.846 8.704 1.00 23.23 C ATOM 649 C GLU A2052 0.581 1.485 9.387 1.00 1.23 C ATOM 650 O GLU A2052 1.566 0.767 9.556 1.00 60.35 O ATOM 651 CB GLU A2052 0.459 3.984 9.692 1.00 63.23 C ATOM 652 CG GLU A2052 1.575 5.030 9.628 1.00 73.43 C ATOM 653 CD GLU A2052 1.595 5.887 10.894 1.00 51.31 C ATOM 654 OE1 GLU A2052 1.332 7.098 10.828 1.00 40.22 O ATOM 655 OE2 GLU A2052 1.897 5.256 11.977 1.00 64.13 O ATOM 0 H GLU A2052 -0.617 3.844 7.432 1.00 13.50 H new ATOM 0 HA GLU A2052 1.741 2.948 8.343 1.00 23.23 H new ATOM 0 HB2 GLU A2052 -0.498 4.454 9.468 1.00 63.23 H new ATOM 0 HB3 GLU A2052 0.388 3.584 10.703 1.00 63.23 H new ATOM 0 HG2 GLU A2052 2.537 4.533 9.505 1.00 73.43 H new ATOM 0 HG3 GLU A2052 1.432 5.667 8.755 1.00 73.43 H new ATOM 663 N PRO A2053 -0.683 1.159 9.772 1.00 0.03 N ATOM 664 CA PRO A2053 -0.961 -0.105 10.434 1.00 64.24 C ATOM 665 C PRO A2053 -0.929 -1.265 9.436 1.00 34.14 C ATOM 666 O PRO A2053 -0.256 -2.268 9.667 1.00 42.23 O ATOM 667 CB PRO A2053 -2.323 0.084 11.083 1.00 2.25 C ATOM 668 CG PRO A2053 -2.960 1.269 10.380 1.00 63.24 C ATOM 669 CD PRO A2053 -1.875 1.981 9.589 1.00 54.51 C ATOM 0 HA PRO A2053 -0.211 -0.364 11.181 1.00 64.24 H new ATOM 0 HB2 PRO A2053 -2.936 -0.811 10.972 1.00 2.25 H new ATOM 0 HB3 PRO A2053 -2.223 0.272 12.152 1.00 2.25 H new ATOM 0 HG2 PRO A2053 -3.759 0.935 9.717 1.00 63.24 H new ATOM 0 HG3 PRO A2053 -3.410 1.946 11.106 1.00 63.24 H new ATOM 0 HD2 PRO A2053 -2.142 2.062 8.535 1.00 54.51 H new ATOM 0 HD3 PRO A2053 -1.717 2.995 9.957 1.00 54.51 H new ATOM 677 N LEU A2054 -1.668 -1.090 8.350 1.00 40.22 N ATOM 678 CA LEU A2054 -1.731 -2.110 7.316 1.00 74.22 C ATOM 679 C LEU A2054 -0.315 -2.572 6.975 1.00 24.34 C ATOM 680 O LEU A2054 -0.016 -3.764 7.043 1.00 70.55 O ATOM 681 CB LEU A2054 -2.520 -1.598 6.108 1.00 1.01 C ATOM 682 CG LEU A2054 -4.019 -1.903 6.108 1.00 24.23 C ATOM 683 CD1 LEU A2054 -4.501 -2.290 7.507 1.00 2.40 C ATOM 684 CD2 LEU A2054 -4.817 -0.732 5.530 1.00 25.43 C ATOM 0 H LEU A2054 -2.228 -0.258 8.164 1.00 40.22 H new ATOM 0 HA LEU A2054 -2.273 -2.985 7.675 1.00 74.22 H new ATOM 0 HB2 LEU A2054 -2.389 -0.518 6.045 1.00 1.01 H new ATOM 0 HB3 LEU A2054 -2.082 -2.025 5.206 1.00 1.01 H new ATOM 0 HG LEU A2054 -4.192 -2.762 5.460 1.00 24.23 H new ATOM 0 HD11 LEU A2054 -5.570 -2.501 7.478 1.00 2.40 H new ATOM 0 HD12 LEU A2054 -3.965 -3.177 7.844 1.00 2.40 H new ATOM 0 HD13 LEU A2054 -4.312 -1.468 8.197 1.00 2.40 H new ATOM 0 HD21 LEU A2054 -5.880 -0.975 5.542 1.00 25.43 H new ATOM 0 HD22 LEU A2054 -4.642 0.160 6.132 1.00 25.43 H new ATOM 0 HD23 LEU A2054 -4.499 -0.546 4.504 1.00 25.43 H new ATOM 696 N HIS A2055 0.518 -1.609 6.613 1.00 13.31 N ATOM 697 CA HIS A2055 1.896 -1.903 6.262 1.00 5.13 C ATOM 698 C HIS A2055 2.607 -2.541 7.458 1.00 41.34 C ATOM 699 O HIS A2055 3.208 -3.607 7.331 1.00 23.31 O ATOM 700 CB HIS A2055 2.608 -0.649 5.751 1.00 60.33 C ATOM 701 CG HIS A2055 2.080 -0.139 4.430 1.00 1.05 C ATOM 702 ND1 HIS A2055 1.269 -0.731 3.507 1.00 40.12 N flip ATOM 703 CD2 HIS A2055 2.381 1.118 3.938 1.00 25.31 C flip ATOM 704 CE1 HIS A2055 1.083 0.120 2.504 1.00 20.43 C flip ATOM 705 NE2 HIS A2055 1.774 1.268 2.769 1.00 41.22 N flip ATOM 0 H HIS A2055 0.265 -0.623 6.555 1.00 13.31 H new ATOM 0 HA HIS A2055 1.919 -2.622 5.443 1.00 5.13 H new ATOM 0 HB2 HIS A2055 2.514 0.140 6.497 1.00 60.33 H new ATOM 0 HB3 HIS A2055 3.672 -0.864 5.647 1.00 60.33 H new ATOM 0 HD2 HIS A2055 3.005 1.853 4.424 1.00 25.31 H new ATOM 0 HE1 HIS A2055 0.484 -0.065 1.624 1.00 20.43 H new ATOM 0 HE2 HIS A2055 1.816 2.095 2.173 1.00 41.22 H new ATOM 714 N ALA A2056 2.515 -1.862 8.591 1.00 24.14 N ATOM 715 CA ALA A2056 3.142 -2.349 9.808 1.00 5.01 C ATOM 716 C ALA A2056 2.710 -3.795 10.056 1.00 4.04 C ATOM 717 O ALA A2056 3.547 -4.670 10.266 1.00 14.01 O ATOM 718 CB ALA A2056 2.780 -1.424 10.973 1.00 22.44 C ATOM 0 H ALA A2056 2.016 -0.978 8.692 1.00 24.14 H new ATOM 0 HA ALA A2056 4.228 -2.342 9.710 1.00 5.01 H new ATOM 0 HB1 ALA A2056 3.250 -1.788 11.887 1.00 22.44 H new ATOM 0 HB2 ALA A2056 3.134 -0.415 10.760 1.00 22.44 H new ATOM 0 HB3 ALA A2056 1.698 -1.409 11.103 1.00 22.44 H new ATOM 724 N MET A2057 1.402 -4.002 10.022 1.00 35.55 N ATOM 725 CA MET A2057 0.847 -5.328 10.240 1.00 14.33 C ATOM 726 C MET A2057 1.542 -6.364 9.357 1.00 24.25 C ATOM 727 O MET A2057 1.787 -7.491 9.789 1.00 44.12 O ATOM 728 CB MET A2057 -0.651 -5.313 9.929 1.00 35.21 C ATOM 729 CG MET A2057 -0.997 -6.345 8.854 1.00 3.31 C ATOM 730 SD MET A2057 -2.770 -6.467 8.673 1.00 11.12 S ATOM 731 CE MET A2057 -2.873 -6.967 6.964 1.00 21.32 C ATOM 0 H MET A2057 0.710 -3.274 9.847 1.00 35.55 H new ATOM 0 HA MET A2057 1.007 -5.601 11.283 1.00 14.33 H new ATOM 0 HB2 MET A2057 -1.217 -5.524 10.836 1.00 35.21 H new ATOM 0 HB3 MET A2057 -0.947 -4.319 9.593 1.00 35.21 H new ATOM 0 HG2 MET A2057 -0.545 -6.059 7.904 1.00 3.31 H new ATOM 0 HG3 MET A2057 -0.583 -7.316 9.124 1.00 3.31 H new ATOM 0 HE1 MET A2057 -3.904 -7.227 6.722 1.00 21.32 H new ATOM 0 HE2 MET A2057 -2.546 -6.147 6.325 1.00 21.32 H new ATOM 0 HE3 MET A2057 -2.233 -7.833 6.799 1.00 21.32 H new ATOM 741 N MET A2058 1.841 -5.950 8.135 1.00 65.40 N ATOM 742 CA MET A2058 2.503 -6.828 7.185 1.00 55.24 C ATOM 743 C MET A2058 3.955 -7.084 7.596 1.00 43.01 C ATOM 744 O MET A2058 4.504 -8.149 7.316 1.00 52.24 O ATOM 745 CB MET A2058 2.470 -6.195 5.794 1.00 62.45 C ATOM 746 CG MET A2058 1.038 -6.121 5.260 1.00 61.11 C ATOM 747 SD MET A2058 0.726 -7.490 4.158 1.00 15.12 S ATOM 748 CE MET A2058 -0.992 -7.802 4.532 1.00 23.12 C ATOM 0 H MET A2058 1.637 -5.016 7.780 1.00 65.40 H new ATOM 0 HA MET A2058 1.975 -7.781 7.171 1.00 55.24 H new ATOM 0 HB2 MET A2058 2.899 -5.194 5.836 1.00 62.45 H new ATOM 0 HB3 MET A2058 3.087 -6.778 5.110 1.00 62.45 H new ATOM 0 HG2 MET A2058 0.330 -6.142 6.089 1.00 61.11 H new ATOM 0 HG3 MET A2058 0.885 -5.178 4.735 1.00 61.11 H new ATOM 0 HE1 MET A2058 -1.518 -8.084 3.620 1.00 23.12 H new ATOM 0 HE2 MET A2058 -1.065 -8.612 5.258 1.00 23.12 H new ATOM 0 HE3 MET A2058 -1.443 -6.901 4.947 1.00 23.12 H new ATOM 758 N GLU A2059 4.534 -6.089 8.253 1.00 62.11 N ATOM 759 CA GLU A2059 5.911 -6.193 8.706 1.00 24.24 C ATOM 760 C GLU A2059 5.992 -7.051 9.970 1.00 50.42 C ATOM 761 O GLU A2059 6.611 -8.113 9.966 1.00 61.40 O ATOM 762 CB GLU A2059 6.516 -4.809 8.944 1.00 52.31 C ATOM 763 CG GLU A2059 6.053 -3.817 7.873 1.00 11.43 C ATOM 764 CD GLU A2059 7.146 -2.792 7.567 1.00 41.53 C ATOM 765 OE1 GLU A2059 7.254 -1.773 8.268 1.00 25.41 O ATOM 766 OE2 GLU A2059 7.899 -3.081 6.561 1.00 3.32 O ATOM 0 H GLU A2059 4.075 -5.208 8.482 1.00 62.11 H new ATOM 0 HA GLU A2059 6.494 -6.679 7.923 1.00 24.24 H new ATOM 0 HB2 GLU A2059 6.227 -4.446 9.930 1.00 52.31 H new ATOM 0 HB3 GLU A2059 7.604 -4.877 8.936 1.00 52.31 H new ATOM 0 HG2 GLU A2059 5.789 -4.356 6.963 1.00 11.43 H new ATOM 0 HG3 GLU A2059 5.153 -3.304 8.212 1.00 11.43 H new ATOM 774 N ARG A2060 5.357 -6.556 11.023 1.00 31.23 N ATOM 775 CA ARG A2060 5.349 -7.264 12.292 1.00 15.22 C ATOM 776 C ARG A2060 4.447 -8.496 12.208 1.00 73.53 C ATOM 777 O ARG A2060 4.571 -9.418 13.012 1.00 3.44 O ATOM 778 CB ARG A2060 4.860 -6.360 13.425 1.00 30.31 C ATOM 779 CG ARG A2060 3.402 -5.947 13.207 1.00 43.14 C ATOM 780 CD ARG A2060 2.941 -4.970 14.291 1.00 45.15 C ATOM 781 NE ARG A2060 2.889 -5.655 15.601 1.00 21.22 N ATOM 782 CZ ARG A2060 1.942 -6.553 15.947 1.00 32.02 C ATOM 783 NH1 ARG A2060 0.960 -6.883 15.081 1.00 53.42 N ATOM 784 NH2 ARG A2060 1.992 -7.105 17.145 1.00 50.23 N ATOM 0 H ARG A2060 4.845 -5.674 11.023 1.00 31.23 H new ATOM 0 HA ARG A2060 6.373 -7.573 12.504 1.00 15.22 H new ATOM 0 HB2 ARG A2060 4.956 -6.881 14.378 1.00 30.31 H new ATOM 0 HB3 ARG A2060 5.489 -5.471 13.483 1.00 30.31 H new ATOM 0 HG2 ARG A2060 3.294 -5.485 12.226 1.00 43.14 H new ATOM 0 HG3 ARG A2060 2.765 -6.831 13.214 1.00 43.14 H new ATOM 0 HD2 ARG A2060 3.624 -4.122 14.342 1.00 45.15 H new ATOM 0 HD3 ARG A2060 1.957 -4.573 14.040 1.00 45.15 H new ATOM 0 HE ARG A2060 3.613 -5.435 16.285 1.00 21.22 H new ATOM 0 HH11 ARG A2060 0.929 -6.453 14.157 1.00 53.42 H new ATOM 0 HH12 ARG A2060 0.249 -7.562 15.351 1.00 53.42 H new ATOM 0 HH21 ARG A2060 2.738 -6.851 17.793 1.00 50.23 H new ATOM 0 HH22 ARG A2060 1.285 -7.785 17.423 1.00 50.23 H new ATOM 796 N GLY A2061 3.557 -8.473 11.224 1.00 12.24 N ATOM 797 CA GLY A2061 2.634 -9.576 11.025 1.00 24.21 C ATOM 798 C GLY A2061 2.895 -10.273 9.688 1.00 2.34 C ATOM 799 O GLY A2061 2.243 -9.973 8.689 1.00 72.31 O ATOM 0 H GLY A2061 3.457 -7.708 10.557 1.00 12.24 H new ATOM 0 HA2 GLY A2061 2.737 -10.293 11.839 1.00 24.21 H new ATOM 0 HA3 GLY A2061 1.609 -9.207 11.053 1.00 24.21 H new ATOM 803 N PRO A2062 3.874 -11.216 9.713 1.00 65.11 N ATOM 804 CA PRO A2062 4.230 -11.959 8.515 1.00 55.23 C ATOM 805 C PRO A2062 3.172 -13.017 8.192 1.00 62.25 C ATOM 806 O PRO A2062 2.043 -12.936 8.670 1.00 43.43 O ATOM 807 CB PRO A2062 5.595 -12.555 8.812 1.00 62.12 C ATOM 808 CG PRO A2062 5.748 -12.514 10.324 1.00 22.13 C ATOM 809 CD PRO A2062 4.668 -11.598 10.877 1.00 32.12 C ATOM 0 HA PRO A2062 4.271 -11.329 7.626 1.00 55.23 H new ATOM 0 HB2 PRO A2062 5.664 -13.577 8.440 1.00 62.12 H new ATOM 0 HB3 PRO A2062 6.385 -11.984 8.324 1.00 62.12 H new ATOM 0 HG2 PRO A2062 5.652 -13.515 10.745 1.00 22.13 H new ATOM 0 HG3 PRO A2062 6.737 -12.147 10.598 1.00 22.13 H new ATOM 0 HD2 PRO A2062 4.058 -12.109 11.622 1.00 32.12 H new ATOM 0 HD3 PRO A2062 5.101 -10.725 11.365 1.00 32.12 H new ATOM 817 N GLN A2063 3.577 -13.982 7.383 1.00 24.41 N ATOM 818 CA GLN A2063 2.679 -15.055 6.989 1.00 22.11 C ATOM 819 C GLN A2063 3.444 -16.376 6.879 1.00 1.41 C ATOM 820 O GLN A2063 3.240 -17.286 7.681 1.00 22.41 O ATOM 821 CB GLN A2063 1.967 -14.723 5.676 1.00 52.25 C ATOM 822 CG GLN A2063 0.449 -14.816 5.836 1.00 54.43 C ATOM 823 CD GLN A2063 -0.139 -15.870 4.896 1.00 45.04 C ATOM 824 OE1 GLN A2063 -0.717 -15.566 3.865 1.00 11.32 O ATOM 825 NE2 GLN A2063 0.042 -17.122 5.307 1.00 3.41 N ATOM 0 H GLN A2063 4.515 -14.045 6.988 1.00 24.41 H new ATOM 0 HA GLN A2063 1.916 -15.163 7.760 1.00 22.11 H new ATOM 0 HB2 GLN A2063 2.241 -13.719 5.354 1.00 52.25 H new ATOM 0 HB3 GLN A2063 2.297 -15.409 4.896 1.00 52.25 H new ATOM 0 HG2 GLN A2063 0.203 -15.067 6.868 1.00 54.43 H new ATOM 0 HG3 GLN A2063 -0.002 -13.846 5.628 1.00 54.43 H new ATOM 0 HE21 GLN A2063 0.535 -17.306 6.181 1.00 3.41 H new ATOM 0 HE22 GLN A2063 -0.312 -17.898 4.748 1.00 3.41 H new ATOM 834 N THR A2064 4.313 -16.438 5.879 1.00 12.31 N ATOM 835 CA THR A2064 5.110 -17.632 5.653 1.00 41.22 C ATOM 836 C THR A2064 6.109 -17.398 4.518 1.00 73.50 C ATOM 837 O THR A2064 6.082 -16.356 3.868 1.00 64.43 O ATOM 838 CB THR A2064 4.153 -18.797 5.393 1.00 31.03 C ATOM 839 OG1 THR A2064 4.996 -19.830 4.888 1.00 61.31 O ATOM 840 CG2 THR A2064 3.183 -18.512 4.246 1.00 34.40 C ATOM 0 H THR A2064 4.482 -15.681 5.217 1.00 12.31 H new ATOM 0 HA THR A2064 5.712 -17.878 6.527 1.00 41.22 H new ATOM 0 HB THR A2064 3.588 -19.014 6.300 1.00 31.03 H new ATOM 0 HG1 THR A2064 4.458 -20.626 4.694 1.00 61.31 H new ATOM 0 HG21 THR A2064 2.526 -19.370 4.103 1.00 34.40 H new ATOM 0 HG22 THR A2064 2.584 -17.633 4.486 1.00 34.40 H new ATOM 0 HG23 THR A2064 3.746 -18.329 3.331 1.00 34.40 H new ATOM 848 N LEU A2065 6.966 -18.389 4.315 1.00 54.20 N ATOM 849 CA LEU A2065 7.971 -18.304 3.270 1.00 4.32 C ATOM 850 C LEU A2065 7.282 -18.081 1.923 1.00 70.11 C ATOM 851 O LEU A2065 7.858 -17.476 1.019 1.00 10.31 O ATOM 852 CB LEU A2065 8.879 -19.536 3.298 1.00 22.23 C ATOM 853 CG LEU A2065 10.343 -19.299 2.923 1.00 32.15 C ATOM 854 CD1 LEU A2065 10.478 -18.946 1.441 1.00 2.30 C ATOM 855 CD2 LEU A2065 10.976 -18.239 3.826 1.00 32.11 C ATOM 0 H LEU A2065 6.984 -19.253 4.856 1.00 54.20 H new ATOM 0 HA LEU A2065 8.625 -17.449 3.440 1.00 4.32 H new ATOM 0 HB2 LEU A2065 8.846 -19.964 4.300 1.00 22.23 H new ATOM 0 HB3 LEU A2065 8.467 -20.282 2.619 1.00 22.23 H new ATOM 0 HG LEU A2065 10.892 -20.227 3.084 1.00 32.15 H new ATOM 0 HD11 LEU A2065 11.528 -18.782 1.200 1.00 2.30 H new ATOM 0 HD12 LEU A2065 10.090 -19.765 0.835 1.00 2.30 H new ATOM 0 HD13 LEU A2065 9.912 -18.039 1.230 1.00 2.30 H new ATOM 0 HD21 LEU A2065 12.017 -18.090 3.538 1.00 32.11 H new ATOM 0 HD22 LEU A2065 10.432 -17.300 3.721 1.00 32.11 H new ATOM 0 HD23 LEU A2065 10.931 -18.571 4.863 1.00 32.11 H new ATOM 867 N LYS A2066 6.058 -18.578 1.831 1.00 63.20 N ATOM 868 CA LYS A2066 5.284 -18.439 0.609 1.00 62.31 C ATOM 869 C LYS A2066 4.921 -16.967 0.404 1.00 51.32 C ATOM 870 O LYS A2066 4.878 -16.486 -0.728 1.00 14.43 O ATOM 871 CB LYS A2066 4.072 -19.374 0.632 1.00 65.22 C ATOM 872 CG LYS A2066 3.391 -19.422 -0.737 1.00 50.14 C ATOM 873 CD LYS A2066 4.150 -20.339 -1.696 1.00 61.43 C ATOM 874 CE LYS A2066 4.265 -19.706 -3.086 1.00 53.22 C ATOM 875 NZ LYS A2066 4.707 -20.711 -4.078 1.00 2.33 N ATOM 0 H LYS A2066 5.583 -19.078 2.583 1.00 63.20 H new ATOM 0 HA LYS A2066 5.877 -18.744 -0.253 1.00 62.31 H new ATOM 0 HB2 LYS A2066 4.387 -20.377 0.921 1.00 65.22 H new ATOM 0 HB3 LYS A2066 3.360 -19.034 1.385 1.00 65.22 H new ATOM 0 HG2 LYS A2066 2.366 -19.776 -0.625 1.00 50.14 H new ATOM 0 HG3 LYS A2066 3.337 -18.417 -1.156 1.00 50.14 H new ATOM 0 HD2 LYS A2066 5.146 -20.540 -1.301 1.00 61.43 H new ATOM 0 HD3 LYS A2066 3.637 -21.298 -1.771 1.00 61.43 H new ATOM 0 HE2 LYS A2066 3.302 -19.291 -3.384 1.00 53.22 H new ATOM 0 HE3 LYS A2066 4.974 -18.878 -3.058 1.00 53.22 H new ATOM 0 HZ1 LYS A2066 4.780 -20.265 -5.015 1.00 2.33 H new ATOM 0 HZ2 LYS A2066 5.636 -21.087 -3.801 1.00 2.33 H new ATOM 0 HZ3 LYS A2066 4.016 -21.488 -4.117 1.00 2.33 H new ATOM 888 N GLU A2067 4.668 -16.293 1.517 1.00 44.02 N ATOM 889 CA GLU A2067 4.310 -14.886 1.474 1.00 2.51 C ATOM 890 C GLU A2067 5.569 -14.016 1.498 1.00 3.54 C ATOM 891 O GLU A2067 5.528 -12.847 1.123 1.00 62.54 O ATOM 892 CB GLU A2067 3.372 -14.523 2.626 1.00 24.50 C ATOM 893 CG GLU A2067 1.927 -14.907 2.297 1.00 33.54 C ATOM 894 CD GLU A2067 1.292 -13.890 1.348 1.00 24.31 C ATOM 895 OE1 GLU A2067 1.990 -13.009 0.824 1.00 23.33 O ATOM 896 OE2 GLU A2067 0.023 -14.037 1.160 1.00 4.21 O ATOM 0 H GLU A2067 4.704 -16.696 2.453 1.00 44.02 H new ATOM 0 HA GLU A2067 3.778 -14.696 0.542 1.00 2.51 H new ATOM 0 HB2 GLU A2067 3.690 -15.035 3.534 1.00 24.50 H new ATOM 0 HB3 GLU A2067 3.432 -13.453 2.825 1.00 24.50 H new ATOM 0 HG2 GLU A2067 1.905 -15.897 1.842 1.00 33.54 H new ATOM 0 HG3 GLU A2067 1.344 -14.965 3.216 1.00 33.54 H new ATOM 904 N THR A2068 6.659 -14.622 1.946 1.00 65.11 N ATOM 905 CA THR A2068 7.928 -13.919 2.025 1.00 15.45 C ATOM 906 C THR A2068 8.287 -13.312 0.667 1.00 33.33 C ATOM 907 O THR A2068 8.853 -12.223 0.600 1.00 52.20 O ATOM 908 CB THR A2068 8.981 -14.898 2.551 1.00 64.32 C ATOM 909 OG1 THR A2068 8.744 -14.940 3.955 1.00 43.53 O ATOM 910 CG2 THR A2068 10.404 -14.350 2.426 1.00 63.51 C ATOM 0 H THR A2068 6.689 -15.593 2.258 1.00 65.11 H new ATOM 0 HA THR A2068 7.871 -13.079 2.717 1.00 15.45 H new ATOM 0 HB THR A2068 8.907 -15.839 2.006 1.00 64.32 H new ATOM 0 HG1 THR A2068 7.894 -15.396 4.130 1.00 43.53 H new ATOM 0 HG21 THR A2068 11.112 -15.083 2.813 1.00 63.51 H new ATOM 0 HG22 THR A2068 10.626 -14.150 1.378 1.00 63.51 H new ATOM 0 HG23 THR A2068 10.490 -13.426 2.998 1.00 63.51 H new ATOM 918 N SER A2069 7.943 -14.044 -0.382 1.00 72.41 N ATOM 919 CA SER A2069 8.220 -13.591 -1.734 1.00 45.51 C ATOM 920 C SER A2069 7.432 -12.314 -2.032 1.00 33.32 C ATOM 921 O SER A2069 7.928 -11.419 -2.713 1.00 62.33 O ATOM 922 CB SER A2069 7.880 -14.676 -2.759 1.00 51.54 C ATOM 923 OG SER A2069 9.050 -15.286 -3.299 1.00 15.33 O ATOM 0 H SER A2069 7.475 -14.948 -0.323 1.00 72.41 H new ATOM 0 HA SER A2069 9.286 -13.377 -1.810 1.00 45.51 H new ATOM 0 HB2 SER A2069 7.259 -15.438 -2.288 1.00 51.54 H new ATOM 0 HB3 SER A2069 7.293 -14.240 -3.567 1.00 51.54 H new ATOM 0 HG SER A2069 8.791 -15.974 -3.947 1.00 15.33 H new ATOM 929 N PHE A2070 6.217 -12.271 -1.505 1.00 33.24 N ATOM 930 CA PHE A2070 5.355 -11.118 -1.706 1.00 30.12 C ATOM 931 C PHE A2070 5.864 -9.910 -0.917 1.00 33.43 C ATOM 932 O PHE A2070 6.035 -8.828 -1.476 1.00 2.43 O ATOM 933 CB PHE A2070 3.967 -11.503 -1.188 1.00 53.01 C ATOM 934 CG PHE A2070 3.157 -10.325 -0.646 1.00 14.00 C ATOM 935 CD1 PHE A2070 3.314 -9.928 0.645 1.00 52.43 C ATOM 936 CD2 PHE A2070 2.278 -9.674 -1.456 1.00 73.10 C ATOM 937 CE1 PHE A2070 2.563 -8.833 1.147 1.00 15.03 C ATOM 938 CE2 PHE A2070 1.526 -8.579 -0.952 1.00 45.14 C ATOM 939 CZ PHE A2070 1.684 -8.182 0.339 1.00 13.53 C ATOM 0 H PHE A2070 5.809 -13.015 -0.939 1.00 33.24 H new ATOM 0 HA PHE A2070 5.335 -10.847 -2.761 1.00 30.12 H new ATOM 0 HB2 PHE A2070 3.407 -11.975 -1.995 1.00 53.01 H new ATOM 0 HB3 PHE A2070 4.078 -12.248 -0.400 1.00 53.01 H new ATOM 0 HD1 PHE A2070 4.010 -10.446 1.288 1.00 52.43 H new ATOM 0 HD2 PHE A2070 2.152 -9.990 -2.481 1.00 73.10 H new ATOM 0 HE1 PHE A2070 2.690 -8.517 2.172 1.00 15.03 H new ATOM 0 HE2 PHE A2070 0.829 -8.062 -1.594 1.00 45.14 H new ATOM 0 HZ PHE A2070 1.112 -7.350 0.722 1.00 13.53 H new ATOM 949 N ASN A2071 6.087 -10.135 0.369 1.00 44.41 N ATOM 950 CA ASN A2071 6.573 -9.078 1.240 1.00 65.14 C ATOM 951 C ASN A2071 7.848 -8.477 0.645 1.00 32.14 C ATOM 952 O ASN A2071 8.106 -7.285 0.796 1.00 71.35 O ATOM 953 CB ASN A2071 6.910 -9.621 2.630 1.00 31.03 C ATOM 954 CG ASN A2071 6.185 -8.828 3.720 1.00 30.12 C ATOM 955 OD1 ASN A2071 5.816 -7.679 3.544 1.00 53.44 O ATOM 956 ND2 ASN A2071 6.001 -9.505 4.849 1.00 64.32 N ATOM 0 H ASN A2071 5.940 -11.033 0.829 1.00 44.41 H new ATOM 0 HA ASN A2071 5.789 -8.326 1.327 1.00 65.14 H new ATOM 0 HB2 ASN A2071 6.628 -10.672 2.692 1.00 31.03 H new ATOM 0 HB3 ASN A2071 7.986 -9.570 2.793 1.00 31.03 H new ATOM 0 HD21 ASN A2071 5.525 -9.064 5.636 1.00 64.32 H new ATOM 0 HD22 ASN A2071 6.336 -10.465 4.928 1.00 64.32 H new ATOM 963 N GLN A2072 8.611 -9.332 -0.021 1.00 1.24 N ATOM 964 CA GLN A2072 9.854 -8.902 -0.639 1.00 74.11 C ATOM 965 C GLN A2072 9.568 -8.191 -1.963 1.00 2.42 C ATOM 966 O GLN A2072 10.175 -7.164 -2.264 1.00 24.12 O ATOM 967 CB GLN A2072 10.804 -10.083 -0.844 1.00 60.44 C ATOM 968 CG GLN A2072 11.797 -10.196 0.314 1.00 21.43 C ATOM 969 CD GLN A2072 13.117 -9.502 -0.026 1.00 71.32 C ATOM 970 OE1 GLN A2072 13.946 -10.015 -0.758 1.00 45.40 O ATOM 971 NE2 GLN A2072 13.265 -8.310 0.547 1.00 63.21 N ATOM 0 H GLN A2072 8.392 -10.320 -0.146 1.00 1.24 H new ATOM 0 HA GLN A2072 10.346 -8.197 0.032 1.00 74.11 H new ATOM 0 HB2 GLN A2072 10.230 -11.006 -0.927 1.00 60.44 H new ATOM 0 HB3 GLN A2072 11.346 -9.960 -1.782 1.00 60.44 H new ATOM 0 HG2 GLN A2072 11.368 -9.749 1.211 1.00 21.43 H new ATOM 0 HG3 GLN A2072 11.982 -11.247 0.538 1.00 21.43 H new ATOM 0 HE21 GLN A2072 12.530 -7.939 1.150 1.00 63.21 H new ATOM 0 HE22 GLN A2072 14.113 -7.767 0.383 1.00 63.21 H new ATOM 980 N ALA A2073 8.644 -8.764 -2.718 1.00 23.21 N ATOM 981 CA ALA A2073 8.270 -8.199 -4.004 1.00 41.11 C ATOM 982 C ALA A2073 7.994 -6.704 -3.838 1.00 14.52 C ATOM 983 O ALA A2073 8.351 -5.903 -4.699 1.00 71.14 O ATOM 984 CB ALA A2073 7.065 -8.956 -4.566 1.00 34.10 C ATOM 0 H ALA A2073 8.142 -9.615 -2.464 1.00 23.21 H new ATOM 0 HA ALA A2073 9.084 -8.307 -4.721 1.00 41.11 H new ATOM 0 HB1 ALA A2073 6.786 -8.531 -5.530 1.00 34.10 H new ATOM 0 HB2 ALA A2073 7.323 -10.007 -4.694 1.00 34.10 H new ATOM 0 HB3 ALA A2073 6.226 -8.870 -3.875 1.00 34.10 H new ATOM 990 N TYR A2074 7.359 -6.373 -2.723 1.00 33.52 N ATOM 991 CA TYR A2074 7.029 -4.988 -2.432 1.00 70.31 C ATOM 992 C TYR A2074 7.942 -4.425 -1.341 1.00 42.24 C ATOM 993 O TYR A2074 8.054 -3.209 -1.186 1.00 35.14 O ATOM 994 CB TYR A2074 5.588 -4.996 -1.919 1.00 32.11 C ATOM 995 CG TYR A2074 4.578 -5.578 -2.909 1.00 44.02 C ATOM 996 CD1 TYR A2074 4.382 -4.970 -4.135 1.00 31.12 C ATOM 997 CD2 TYR A2074 3.863 -6.712 -2.581 1.00 60.22 C ATOM 998 CE1 TYR A2074 3.431 -5.518 -5.066 1.00 25.32 C ATOM 999 CE2 TYR A2074 2.912 -7.260 -3.513 1.00 74.52 C ATOM 1000 CZ TYR A2074 2.745 -6.636 -4.710 1.00 20.44 C ATOM 1001 OH TYR A2074 1.846 -7.154 -5.590 1.00 63.24 O ATOM 0 H TYR A2074 7.064 -7.040 -2.010 1.00 33.52 H new ATOM 0 HA TYR A2074 7.153 -4.369 -3.321 1.00 70.31 H new ATOM 0 HB2 TYR A2074 5.546 -5.570 -0.993 1.00 32.11 H new ATOM 0 HB3 TYR A2074 5.295 -3.975 -1.675 1.00 32.11 H new ATOM 0 HD1 TYR A2074 4.942 -4.084 -4.394 1.00 31.12 H new ATOM 0 HD2 TYR A2074 4.017 -7.189 -1.624 1.00 60.22 H new ATOM 0 HE1 TYR A2074 3.266 -5.051 -6.026 1.00 25.32 H new ATOM 0 HE2 TYR A2074 2.345 -8.146 -3.267 1.00 74.52 H new ATOM 0 HH TYR A2074 2.011 -8.114 -5.700 1.00 63.24 H new ATOM 1011 N GLY A2075 8.574 -5.335 -0.615 1.00 73.42 N ATOM 1012 CA GLY A2075 9.474 -4.944 0.458 1.00 23.22 C ATOM 1013 C GLY A2075 10.253 -3.680 0.085 1.00 12.44 C ATOM 1014 O GLY A2075 10.368 -2.758 0.892 1.00 13.34 O ATOM 0 H GLY A2075 8.481 -6.342 -0.748 1.00 73.42 H new ATOM 0 HA2 GLY A2075 8.904 -4.769 1.370 1.00 23.22 H new ATOM 0 HA3 GLY A2075 10.170 -5.756 0.668 1.00 23.22 H new ATOM 1018 N ARG A2076 10.767 -3.678 -1.136 1.00 30.42 N ATOM 1019 CA ARG A2076 11.530 -2.543 -1.624 1.00 41.43 C ATOM 1020 C ARG A2076 10.590 -1.428 -2.084 1.00 23.51 C ATOM 1021 O ARG A2076 10.827 -0.254 -1.800 1.00 65.34 O ATOM 1022 CB ARG A2076 12.437 -2.949 -2.787 1.00 60.22 C ATOM 1023 CG ARG A2076 13.912 -2.828 -2.402 1.00 54.14 C ATOM 1024 CD ARG A2076 14.195 -1.485 -1.727 1.00 63.52 C ATOM 1025 NE ARG A2076 15.467 -0.923 -2.231 1.00 12.14 N ATOM 1026 CZ ARG A2076 16.025 0.220 -1.775 1.00 54.23 C ATOM 1027 NH1 ARG A2076 15.424 0.933 -0.800 1.00 34.11 N ATOM 1028 NH2 ARG A2076 17.166 0.629 -2.299 1.00 32.55 N ATOM 0 H ARG A2076 10.670 -4.445 -1.802 1.00 30.42 H new ATOM 0 HA ARG A2076 12.150 -2.183 -0.803 1.00 41.43 H new ATOM 0 HB2 ARG A2076 12.218 -3.975 -3.082 1.00 60.22 H new ATOM 0 HB3 ARG A2076 12.230 -2.318 -3.651 1.00 60.22 H new ATOM 0 HG2 ARG A2076 14.184 -3.641 -1.729 1.00 54.14 H new ATOM 0 HG3 ARG A2076 14.533 -2.930 -3.292 1.00 54.14 H new ATOM 0 HD2 ARG A2076 13.378 -0.791 -1.924 1.00 63.52 H new ATOM 0 HD3 ARG A2076 14.249 -1.616 -0.646 1.00 63.52 H new ATOM 0 HE ARG A2076 15.954 -1.431 -2.970 1.00 12.14 H new ATOM 0 HH11 ARG A2076 14.542 0.610 -0.402 1.00 34.11 H new ATOM 0 HH12 ARG A2076 15.851 1.795 -0.461 1.00 34.11 H new ATOM 0 HH21 ARG A2076 17.613 0.084 -3.037 1.00 32.55 H new ATOM 0 HH22 ARG A2076 17.601 1.490 -1.966 1.00 32.55 H new ATOM 1040 N ASP A2077 9.542 -1.834 -2.785 1.00 71.13 N ATOM 1041 CA ASP A2077 8.564 -0.883 -3.287 1.00 34.22 C ATOM 1042 C ASP A2077 8.026 -0.050 -2.123 1.00 75.23 C ATOM 1043 O ASP A2077 8.176 1.171 -2.107 1.00 64.33 O ATOM 1044 CB ASP A2077 7.381 -1.602 -3.940 1.00 1.32 C ATOM 1045 CG ASP A2077 7.668 -2.200 -5.319 1.00 12.04 C ATOM 1046 OD1 ASP A2077 7.622 -1.500 -6.342 1.00 54.43 O ATOM 1047 OD2 ASP A2077 7.954 -3.459 -5.319 1.00 50.33 O ATOM 0 H ASP A2077 9.348 -2.808 -3.017 1.00 71.13 H new ATOM 0 HA ASP A2077 9.056 -0.252 -4.027 1.00 34.22 H new ATOM 0 HB2 ASP A2077 7.049 -2.401 -3.276 1.00 1.32 H new ATOM 0 HB3 ASP A2077 6.553 -0.899 -4.031 1.00 1.32 H new ATOM 1053 N LEU A2078 7.410 -0.741 -1.175 1.00 71.01 N ATOM 1054 CA LEU A2078 6.847 -0.079 -0.010 1.00 2.20 C ATOM 1055 C LEU A2078 7.915 0.811 0.628 1.00 14.34 C ATOM 1056 O LEU A2078 7.609 1.891 1.132 1.00 14.41 O ATOM 1057 CB LEU A2078 6.245 -1.106 0.951 1.00 12.51 C ATOM 1058 CG LEU A2078 5.010 -1.854 0.446 1.00 12.54 C ATOM 1059 CD1 LEU A2078 4.331 -2.621 1.584 1.00 42.45 C ATOM 1060 CD2 LEU A2078 4.044 -0.901 -0.260 1.00 74.34 C ATOM 0 H LEU A2078 7.288 -1.754 -1.190 1.00 71.01 H new ATOM 0 HA LEU A2078 6.022 0.571 -0.301 1.00 2.20 H new ATOM 0 HB2 LEU A2078 7.014 -1.839 1.196 1.00 12.51 H new ATOM 0 HB3 LEU A2078 5.983 -0.596 1.878 1.00 12.51 H new ATOM 0 HG LEU A2078 5.332 -2.590 -0.291 1.00 12.54 H new ATOM 0 HD11 LEU A2078 3.456 -3.144 1.199 1.00 42.45 H new ATOM 0 HD12 LEU A2078 5.030 -3.344 2.004 1.00 42.45 H new ATOM 0 HD13 LEU A2078 4.023 -1.922 2.361 1.00 42.45 H new ATOM 0 HD21 LEU A2078 3.174 -1.457 -0.610 1.00 74.34 H new ATOM 0 HD22 LEU A2078 3.723 -0.126 0.436 1.00 74.34 H new ATOM 0 HD23 LEU A2078 4.545 -0.439 -1.111 1.00 74.34 H new ATOM 1072 N MET A2079 9.147 0.324 0.589 1.00 64.13 N ATOM 1073 CA MET A2079 10.262 1.063 1.158 1.00 2.31 C ATOM 1074 C MET A2079 10.407 2.433 0.495 1.00 43.53 C ATOM 1075 O MET A2079 10.538 3.447 1.180 1.00 44.13 O ATOM 1076 CB MET A2079 11.553 0.264 0.968 1.00 23.40 C ATOM 1077 CG MET A2079 12.294 0.096 2.296 1.00 12.54 C ATOM 1078 SD MET A2079 14.015 0.531 2.095 1.00 21.24 S ATOM 1079 CE MET A2079 13.844 2.233 1.583 1.00 44.44 C ATOM 0 H MET A2079 9.398 -0.573 0.172 1.00 64.13 H new ATOM 0 HA MET A2079 10.070 1.214 2.220 1.00 2.31 H new ATOM 0 HB2 MET A2079 11.320 -0.716 0.551 1.00 23.40 H new ATOM 0 HB3 MET A2079 12.197 0.772 0.250 1.00 23.40 H new ATOM 0 HG2 MET A2079 11.838 0.727 3.059 1.00 12.54 H new ATOM 0 HG3 MET A2079 12.209 -0.934 2.642 1.00 12.54 H new ATOM 0 HE1 MET A2079 14.777 2.764 1.769 1.00 44.44 H new ATOM 0 HE2 MET A2079 13.611 2.271 0.519 1.00 44.44 H new ATOM 0 HE3 MET A2079 13.039 2.704 2.148 1.00 44.44 H new ATOM 1089 N GLU A2080 10.380 2.421 -0.830 1.00 54.21 N ATOM 1090 CA GLU A2080 10.508 3.651 -1.592 1.00 65.51 C ATOM 1091 C GLU A2080 9.320 4.574 -1.314 1.00 72.30 C ATOM 1092 O GLU A2080 9.498 5.694 -0.838 1.00 75.33 O ATOM 1093 CB GLU A2080 10.637 3.357 -3.089 1.00 22.24 C ATOM 1094 CG GLU A2080 10.813 4.650 -3.887 1.00 42.25 C ATOM 1095 CD GLU A2080 12.044 4.571 -4.792 1.00 52.04 C ATOM 1096 OE1 GLU A2080 12.307 3.519 -5.391 1.00 74.15 O ATOM 1097 OE2 GLU A2080 12.739 5.657 -4.862 1.00 22.21 O ATOM 0 H GLU A2080 10.271 1.579 -1.395 1.00 54.21 H new ATOM 0 HA GLU A2080 11.419 4.159 -1.275 1.00 65.51 H new ATOM 0 HB2 GLU A2080 11.489 2.699 -3.262 1.00 22.24 H new ATOM 0 HB3 GLU A2080 9.750 2.828 -3.437 1.00 22.24 H new ATOM 0 HG2 GLU A2080 9.924 4.833 -4.491 1.00 42.25 H new ATOM 0 HG3 GLU A2080 10.913 5.493 -3.203 1.00 42.25 H new ATOM 1105 N ALA A2081 8.135 4.068 -1.623 1.00 62.14 N ATOM 1106 CA ALA A2081 6.916 4.832 -1.412 1.00 45.35 C ATOM 1107 C ALA A2081 6.865 5.310 0.040 1.00 34.52 C ATOM 1108 O ALA A2081 6.491 6.452 0.307 1.00 13.53 O ATOM 1109 CB ALA A2081 5.706 3.977 -1.790 1.00 54.12 C ATOM 0 H ALA A2081 7.993 3.138 -2.018 1.00 62.14 H new ATOM 0 HA ALA A2081 6.900 5.716 -2.050 1.00 45.35 H new ATOM 0 HB1 ALA A2081 4.792 4.550 -1.632 1.00 54.12 H new ATOM 0 HB2 ALA A2081 5.777 3.689 -2.839 1.00 54.12 H new ATOM 0 HB3 ALA A2081 5.685 3.081 -1.169 1.00 54.12 H new ATOM 1115 N GLN A2082 7.244 4.414 0.938 1.00 14.12 N ATOM 1116 CA GLN A2082 7.246 4.731 2.356 1.00 34.43 C ATOM 1117 C GLN A2082 8.091 5.977 2.621 1.00 21.23 C ATOM 1118 O GLN A2082 7.693 6.850 3.391 1.00 73.40 O ATOM 1119 CB GLN A2082 7.745 3.542 3.183 1.00 63.44 C ATOM 1120 CG GLN A2082 7.890 3.923 4.657 1.00 43.13 C ATOM 1121 CD GLN A2082 6.968 3.075 5.536 1.00 45.53 C ATOM 1122 OE1 GLN A2082 7.095 1.865 5.626 1.00 24.22 O ATOM 1123 NE2 GLN A2082 6.038 3.775 6.176 1.00 32.32 N ATOM 0 H GLN A2082 7.552 3.468 0.712 1.00 14.12 H new ATOM 0 HA GLN A2082 6.221 4.940 2.663 1.00 34.43 H new ATOM 0 HB2 GLN A2082 7.049 2.709 3.086 1.00 63.44 H new ATOM 0 HB3 GLN A2082 8.705 3.202 2.795 1.00 63.44 H new ATOM 0 HG2 GLN A2082 8.925 3.787 4.971 1.00 43.13 H new ATOM 0 HG3 GLN A2082 7.654 4.979 4.788 1.00 43.13 H new ATOM 0 HE21 GLN A2082 5.988 4.787 6.055 1.00 32.32 H new ATOM 0 HE22 GLN A2082 5.374 3.301 6.788 1.00 32.32 H new ATOM 1132 N GLU A2083 9.244 6.021 1.969 1.00 21.52 N ATOM 1133 CA GLU A2083 10.150 7.147 2.125 1.00 32.31 C ATOM 1134 C GLU A2083 9.515 8.420 1.560 1.00 1.31 C ATOM 1135 O GLU A2083 9.712 9.508 2.099 1.00 12.43 O ATOM 1136 CB GLU A2083 11.497 6.861 1.459 1.00 61.32 C ATOM 1137 CG GLU A2083 11.836 7.938 0.424 1.00 20.54 C ATOM 1138 CD GLU A2083 13.232 7.718 -0.158 1.00 14.13 C ATOM 1139 OE1 GLU A2083 13.414 6.846 -1.023 1.00 75.34 O ATOM 1140 OE2 GLU A2083 14.149 8.490 0.317 1.00 4.45 O ATOM 0 H GLU A2083 9.572 5.295 1.332 1.00 21.52 H new ATOM 0 HA GLU A2083 10.334 7.299 3.189 1.00 32.31 H new ATOM 0 HB2 GLU A2083 12.280 6.820 2.216 1.00 61.32 H new ATOM 0 HB3 GLU A2083 11.468 5.884 0.977 1.00 61.32 H new ATOM 0 HG2 GLU A2083 11.097 7.923 -0.377 1.00 20.54 H new ATOM 0 HG3 GLU A2083 11.783 8.923 0.888 1.00 20.54 H new ATOM 1148 N TRP A2084 8.769 8.241 0.481 1.00 45.55 N ATOM 1149 CA TRP A2084 8.105 9.362 -0.164 1.00 63.01 C ATOM 1150 C TRP A2084 7.072 9.924 0.813 1.00 71.34 C ATOM 1151 O TRP A2084 6.820 11.128 0.831 1.00 63.31 O ATOM 1152 CB TRP A2084 7.497 8.942 -1.503 1.00 51.10 C ATOM 1153 CG TRP A2084 8.525 8.743 -2.619 1.00 73.02 C ATOM 1154 CD1 TRP A2084 9.045 7.591 -3.066 1.00 52.41 C ATOM 1155 CD2 TRP A2084 9.141 9.777 -3.416 1.00 2.22 C ATOM 1156 NE1 TRP A2084 9.947 7.806 -4.088 1.00 71.01 N ATOM 1157 CE2 TRP A2084 10.007 9.177 -4.307 1.00 43.12 C ATOM 1158 CE3 TRP A2084 8.971 11.172 -3.385 1.00 42.20 C ATOM 1159 CZ2 TRP A2084 10.772 9.896 -5.235 1.00 42.03 C ATOM 1160 CZ3 TRP A2084 9.742 11.876 -4.318 1.00 24.12 C ATOM 1161 CH2 TRP A2084 10.619 11.287 -5.223 1.00 55.32 C ATOM 0 H TRP A2084 8.609 7.337 0.036 1.00 45.55 H new ATOM 0 HA TRP A2084 8.820 10.149 -0.404 1.00 63.01 H new ATOM 0 HB2 TRP A2084 6.943 8.014 -1.363 1.00 51.10 H new ATOM 0 HB3 TRP A2084 6.777 9.698 -1.817 1.00 51.10 H new ATOM 0 HD1 TRP A2084 8.790 6.617 -2.675 1.00 52.41 H new ATOM 0 HE1 TRP A2084 10.473 7.091 -4.590 1.00 71.01 H new ATOM 0 HE3 TRP A2084 8.299 11.662 -2.696 1.00 42.20 H new ATOM 0 HZ2 TRP A2084 11.444 9.403 -5.922 1.00 42.03 H new ATOM 0 HZ3 TRP A2084 9.649 12.952 -4.336 1.00 24.12 H new ATOM 0 HH2 TRP A2084 11.179 11.900 -5.913 1.00 55.32 H new ATOM 1172 N CYS A2085 6.498 9.026 1.600 1.00 71.13 N ATOM 1173 CA CYS A2085 5.495 9.418 2.576 1.00 11.54 C ATOM 1174 C CYS A2085 6.179 10.265 3.652 1.00 12.03 C ATOM 1175 O CYS A2085 5.779 11.402 3.900 1.00 73.43 O ATOM 1176 CB CYS A2085 4.783 8.201 3.175 1.00 41.55 C ATOM 1177 SG CYS A2085 3.835 8.700 4.659 1.00 72.13 S ATOM 0 H CYS A2085 6.708 8.028 1.582 1.00 71.13 H new ATOM 0 HA CYS A2085 4.719 10.008 2.088 1.00 11.54 H new ATOM 0 HB2 CYS A2085 4.113 7.761 2.436 1.00 41.55 H new ATOM 0 HB3 CYS A2085 5.513 7.436 3.440 1.00 41.55 H new ATOM 0 HG CYS A2085 2.616 8.995 4.316 1.00 72.13 H new ATOM 1183 N ARG A2086 7.198 9.680 4.262 1.00 4.54 N ATOM 1184 CA ARG A2086 7.940 10.367 5.307 1.00 62.43 C ATOM 1185 C ARG A2086 8.461 11.711 4.791 1.00 62.32 C ATOM 1186 O ARG A2086 8.480 12.695 5.526 1.00 51.04 O ATOM 1187 CB ARG A2086 9.121 9.523 5.789 1.00 43.55 C ATOM 1188 CG ARG A2086 8.641 8.322 6.605 1.00 63.32 C ATOM 1189 CD ARG A2086 9.119 7.008 5.982 1.00 12.31 C ATOM 1190 NE ARG A2086 10.411 6.606 6.581 1.00 50.33 N ATOM 1191 CZ ARG A2086 11.256 5.710 6.029 1.00 73.53 C ATOM 1192 NH1 ARG A2086 10.952 5.114 4.857 1.00 33.42 N ATOM 1193 NH2 ARG A2086 12.384 5.425 6.651 1.00 3.30 N ATOM 0 H ARG A2086 7.528 8.738 4.053 1.00 4.54 H new ATOM 0 HA ARG A2086 7.260 10.532 6.143 1.00 62.43 H new ATOM 0 HB2 ARG A2086 9.699 9.177 4.932 1.00 43.55 H new ATOM 0 HB3 ARG A2086 9.787 10.136 6.396 1.00 43.55 H new ATOM 0 HG2 ARG A2086 9.013 8.400 7.627 1.00 63.32 H new ATOM 0 HG3 ARG A2086 7.552 8.327 6.660 1.00 63.32 H new ATOM 0 HD2 ARG A2086 8.375 6.228 6.143 1.00 12.31 H new ATOM 0 HD3 ARG A2086 9.229 7.126 4.904 1.00 12.31 H new ATOM 0 HE ARG A2086 10.680 7.033 7.467 1.00 50.33 H new ATOM 0 HH11 ARG A2086 10.078 5.340 4.382 1.00 33.42 H new ATOM 0 HH12 ARG A2086 11.596 4.438 4.446 1.00 33.42 H new ATOM 0 HH21 ARG A2086 12.607 5.880 7.536 1.00 3.30 H new ATOM 0 HH22 ARG A2086 13.033 4.750 6.247 1.00 3.30 H new ATOM 1205 N LYS A2087 8.868 11.707 3.530 1.00 4.12 N ATOM 1206 CA LYS A2087 9.385 12.913 2.907 1.00 43.53 C ATOM 1207 C LYS A2087 8.277 13.966 2.845 1.00 61.51 C ATOM 1208 O LYS A2087 8.523 15.147 3.087 1.00 20.13 O ATOM 1209 CB LYS A2087 10.005 12.591 1.547 1.00 72.15 C ATOM 1210 CG LYS A2087 10.281 13.870 0.752 1.00 33.24 C ATOM 1211 CD LYS A2087 9.466 13.897 -0.543 1.00 20.22 C ATOM 1212 CE LYS A2087 10.375 13.751 -1.765 1.00 73.15 C ATOM 1213 NZ LYS A2087 10.864 12.359 -1.884 1.00 65.43 N ATOM 0 H LYS A2087 8.850 10.887 2.923 1.00 4.12 H new ATOM 0 HA LYS A2087 10.192 13.335 3.506 1.00 43.53 H new ATOM 0 HB2 LYS A2087 10.934 12.039 1.689 1.00 72.15 H new ATOM 0 HB3 LYS A2087 9.334 11.945 0.981 1.00 72.15 H new ATOM 0 HG2 LYS A2087 10.034 14.741 1.360 1.00 33.24 H new ATOM 0 HG3 LYS A2087 11.344 13.935 0.519 1.00 33.24 H new ATOM 0 HD2 LYS A2087 8.733 13.091 -0.532 1.00 20.22 H new ATOM 0 HD3 LYS A2087 8.910 14.833 -0.608 1.00 20.22 H new ATOM 0 HE2 LYS A2087 9.830 14.029 -2.667 1.00 73.15 H new ATOM 0 HE3 LYS A2087 11.220 14.434 -1.680 1.00 73.15 H new ATOM 0 HZ1 LYS A2087 11.852 12.365 -2.208 1.00 65.43 H new ATOM 0 HZ2 LYS A2087 10.806 11.890 -0.957 1.00 65.43 H new ATOM 0 HZ3 LYS A2087 10.278 11.843 -2.571 1.00 65.43 H new ATOM 1226 N TYR A2088 7.079 13.499 2.517 1.00 51.53 N ATOM 1227 CA TYR A2088 5.933 14.386 2.420 1.00 50.21 C ATOM 1228 C TYR A2088 5.454 14.818 3.808 1.00 12.33 C ATOM 1229 O TYR A2088 5.049 15.963 3.999 1.00 14.11 O ATOM 1230 CB TYR A2088 4.829 13.572 1.743 1.00 60.20 C ATOM 1231 CG TYR A2088 3.416 14.089 2.021 1.00 51.31 C ATOM 1232 CD1 TYR A2088 2.846 13.903 3.265 1.00 51.31 C ATOM 1233 CD2 TYR A2088 2.710 14.740 1.030 1.00 54.20 C ATOM 1234 CE1 TYR A2088 1.516 14.388 3.528 1.00 34.32 C ATOM 1235 CE2 TYR A2088 1.381 15.226 1.293 1.00 21.11 C ATOM 1236 CZ TYR A2088 0.849 15.025 2.529 1.00 42.41 C ATOM 1237 OH TYR A2088 -0.407 15.484 2.777 1.00 24.43 O ATOM 0 H TYR A2088 6.879 12.519 2.316 1.00 51.53 H new ATOM 0 HA TYR A2088 6.190 15.287 1.864 1.00 50.21 H new ATOM 0 HB2 TYR A2088 5.000 13.572 0.666 1.00 60.20 H new ATOM 0 HB3 TYR A2088 4.898 12.537 2.077 1.00 60.20 H new ATOM 0 HD1 TYR A2088 3.398 13.394 4.041 1.00 51.31 H new ATOM 0 HD2 TYR A2088 3.155 14.885 0.057 1.00 54.20 H new ATOM 0 HE1 TYR A2088 1.059 14.249 4.497 1.00 34.32 H new ATOM 0 HE2 TYR A2088 0.819 15.739 0.527 1.00 21.11 H new ATOM 0 HH TYR A2088 -0.761 15.919 1.973 1.00 24.43 H new ATOM 1247 N MET A2089 5.515 13.878 4.739 1.00 31.23 N ATOM 1248 CA MET A2089 5.093 14.147 6.103 1.00 0.15 C ATOM 1249 C MET A2089 5.999 15.190 6.763 1.00 21.44 C ATOM 1250 O MET A2089 5.541 15.983 7.582 1.00 64.22 O ATOM 1251 CB MET A2089 5.132 12.849 6.915 1.00 41.51 C ATOM 1252 CG MET A2089 4.028 11.889 6.467 1.00 11.24 C ATOM 1253 SD MET A2089 3.347 11.039 7.881 1.00 5.13 S ATOM 1254 CE MET A2089 1.606 11.166 7.511 1.00 52.33 C ATOM 0 H MET A2089 5.850 12.929 4.576 1.00 31.23 H new ATOM 0 HA MET A2089 4.077 14.540 6.078 1.00 0.15 H new ATOM 0 HB2 MET A2089 6.104 12.371 6.797 1.00 41.51 H new ATOM 0 HB3 MET A2089 5.014 13.075 7.975 1.00 41.51 H new ATOM 0 HG2 MET A2089 3.242 12.441 5.951 1.00 11.24 H new ATOM 0 HG3 MET A2089 4.429 11.166 5.757 1.00 11.24 H new ATOM 0 HE1 MET A2089 1.084 10.297 7.912 1.00 52.33 H new ATOM 0 HE2 MET A2089 1.203 12.072 7.964 1.00 52.33 H new ATOM 0 HE3 MET A2089 1.466 11.207 6.431 1.00 52.33 H new ATOM 1264 N LYS A2090 7.267 15.151 6.379 1.00 73.41 N ATOM 1265 CA LYS A2090 8.240 16.082 6.925 1.00 62.22 C ATOM 1266 C LYS A2090 8.283 17.336 6.049 1.00 74.11 C ATOM 1267 O LYS A2090 8.327 18.454 6.561 1.00 60.34 O ATOM 1268 CB LYS A2090 9.599 15.400 7.090 1.00 65.24 C ATOM 1269 CG LYS A2090 10.232 15.761 8.434 1.00 3.43 C ATOM 1270 CD LYS A2090 10.680 17.225 8.456 1.00 35.04 C ATOM 1271 CE LYS A2090 10.300 17.893 9.778 1.00 31.51 C ATOM 1272 NZ LYS A2090 10.535 19.352 9.707 1.00 42.34 N ATOM 0 H LYS A2090 7.642 14.491 5.698 1.00 73.41 H new ATOM 0 HA LYS A2090 7.946 16.400 7.925 1.00 62.22 H new ATOM 0 HB2 LYS A2090 9.479 14.319 7.019 1.00 65.24 H new ATOM 0 HB3 LYS A2090 10.262 15.701 6.279 1.00 65.24 H new ATOM 0 HG2 LYS A2090 9.515 15.585 9.236 1.00 3.43 H new ATOM 0 HG3 LYS A2090 11.088 15.113 8.623 1.00 3.43 H new ATOM 0 HD2 LYS A2090 11.759 17.281 8.313 1.00 35.04 H new ATOM 0 HD3 LYS A2090 10.220 17.763 7.627 1.00 35.04 H new ATOM 0 HE2 LYS A2090 9.251 17.698 10.003 1.00 31.51 H new ATOM 0 HE3 LYS A2090 10.885 17.463 10.591 1.00 31.51 H new ATOM 0 HZ1 LYS A2090 10.272 19.790 10.613 1.00 42.34 H new ATOM 0 HZ2 LYS A2090 11.541 19.533 9.514 1.00 42.34 H new ATOM 0 HZ3 LYS A2090 9.958 19.760 8.944 1.00 42.34 H new ATOM 1285 N SER A2091 8.268 17.109 4.744 1.00 62.24 N ATOM 1286 CA SER A2091 8.305 18.208 3.792 1.00 43.30 C ATOM 1287 C SER A2091 6.897 18.765 3.581 1.00 31.34 C ATOM 1288 O SER A2091 6.597 19.880 4.001 1.00 12.24 O ATOM 1289 CB SER A2091 8.906 17.760 2.458 1.00 64.12 C ATOM 1290 OG SER A2091 9.457 18.851 1.727 1.00 53.45 O ATOM 0 H SER A2091 8.231 16.181 4.323 1.00 62.24 H new ATOM 0 HA SER A2091 8.941 18.994 4.200 1.00 43.30 H new ATOM 0 HB2 SER A2091 9.683 17.018 2.642 1.00 64.12 H new ATOM 0 HB3 SER A2091 8.136 17.274 1.859 1.00 64.12 H new ATOM 0 HG SER A2091 9.832 18.523 0.883 1.00 53.45 H new ATOM 1296 N GLY A2092 6.069 17.961 2.930 1.00 5.15 N ATOM 1297 CA GLY A2092 4.699 18.359 2.657 1.00 35.13 C ATOM 1298 C GLY A2092 4.548 18.857 1.218 1.00 53.00 C ATOM 1299 O GLY A2092 4.701 20.047 0.951 1.00 44.24 O ATOM 0 H GLY A2092 6.321 17.035 2.584 1.00 5.15 H new ATOM 0 HA2 GLY A2092 4.031 17.514 2.825 1.00 35.13 H new ATOM 0 HA3 GLY A2092 4.400 19.145 3.351 1.00 35.13 H new ATOM 1303 N ASN A2093 4.249 17.921 0.330 1.00 72.10 N ATOM 1304 CA ASN A2093 4.076 18.250 -1.075 1.00 41.32 C ATOM 1305 C ASN A2093 3.262 17.149 -1.756 1.00 35.02 C ATOM 1306 O ASN A2093 3.671 15.988 -1.773 1.00 74.41 O ATOM 1307 CB ASN A2093 5.427 18.346 -1.788 1.00 72.21 C ATOM 1308 CG ASN A2093 5.463 19.553 -2.730 1.00 4.34 C ATOM 1309 OD1 ASN A2093 4.777 20.543 -2.539 1.00 1.31 O ATOM 1310 ND2 ASN A2093 6.300 19.414 -3.754 1.00 42.20 N ATOM 0 H ASN A2093 4.122 16.934 0.556 1.00 72.10 H new ATOM 0 HA ASN A2093 3.565 19.211 -1.135 1.00 41.32 H new ATOM 0 HB2 ASN A2093 6.226 18.430 -1.052 1.00 72.21 H new ATOM 0 HB3 ASN A2093 5.610 17.432 -2.354 1.00 72.21 H new ATOM 0 HD21 ASN A2093 6.397 20.164 -4.439 1.00 42.20 H new ATOM 0 HD22 ASN A2093 6.845 18.558 -3.854 1.00 42.20 H new ATOM 1317 N VAL A2094 2.122 17.551 -2.301 1.00 4.24 N ATOM 1318 CA VAL A2094 1.245 16.613 -2.981 1.00 62.00 C ATOM 1319 C VAL A2094 2.056 15.810 -4.000 1.00 42.54 C ATOM 1320 O VAL A2094 1.845 14.610 -4.160 1.00 71.01 O ATOM 1321 CB VAL A2094 0.067 17.360 -3.609 1.00 32.43 C ATOM 1322 CG1 VAL A2094 0.469 18.002 -4.938 1.00 3.33 C ATOM 1323 CG2 VAL A2094 -1.136 16.431 -3.791 1.00 4.30 C ATOM 0 H VAL A2094 1.786 18.514 -2.285 1.00 4.24 H new ATOM 0 HA VAL A2094 0.821 15.903 -2.271 1.00 62.00 H new ATOM 0 HB VAL A2094 -0.225 18.158 -2.927 1.00 32.43 H new ATOM 0 HG11 VAL A2094 -0.387 18.526 -5.362 1.00 3.33 H new ATOM 0 HG12 VAL A2094 1.281 18.710 -4.769 1.00 3.33 H new ATOM 0 HG13 VAL A2094 0.800 17.228 -5.630 1.00 3.33 H new ATOM 0 HG21 VAL A2094 -1.960 16.986 -4.239 1.00 4.30 H new ATOM 0 HG22 VAL A2094 -0.860 15.602 -4.443 1.00 4.30 H new ATOM 0 HG23 VAL A2094 -1.446 16.042 -2.821 1.00 4.30 H new ATOM 1333 N LYS A2095 2.969 16.506 -4.662 1.00 60.44 N ATOM 1334 CA LYS A2095 3.814 15.874 -5.661 1.00 62.51 C ATOM 1335 C LYS A2095 4.418 14.597 -5.078 1.00 2.44 C ATOM 1336 O LYS A2095 4.327 13.529 -5.682 1.00 4.41 O ATOM 1337 CB LYS A2095 4.854 16.864 -6.188 1.00 23.31 C ATOM 1338 CG LYS A2095 5.102 16.656 -7.682 1.00 42.15 C ATOM 1339 CD LYS A2095 6.519 16.137 -7.938 1.00 1.41 C ATOM 1340 CE LYS A2095 6.531 14.614 -8.068 1.00 30.44 C ATOM 1341 NZ LYS A2095 7.656 14.174 -8.922 1.00 52.14 N ATOM 0 H LYS A2095 3.142 17.502 -4.526 1.00 60.44 H new ATOM 0 HA LYS A2095 3.223 15.579 -6.528 1.00 62.51 H new ATOM 0 HB2 LYS A2095 4.513 17.884 -6.011 1.00 23.31 H new ATOM 0 HB3 LYS A2095 5.788 16.741 -5.640 1.00 23.31 H new ATOM 0 HG2 LYS A2095 4.375 15.948 -8.079 1.00 42.15 H new ATOM 0 HG3 LYS A2095 4.954 17.597 -8.213 1.00 42.15 H new ATOM 0 HD2 LYS A2095 6.915 16.586 -8.849 1.00 1.41 H new ATOM 0 HD3 LYS A2095 7.174 16.441 -7.122 1.00 1.41 H new ATOM 0 HE2 LYS A2095 6.617 14.160 -7.081 1.00 30.44 H new ATOM 0 HE3 LYS A2095 5.588 14.272 -8.495 1.00 30.44 H new ATOM 0 HZ1 LYS A2095 7.648 13.137 -8.999 1.00 52.14 H new ATOM 0 HZ2 LYS A2095 7.557 14.592 -9.869 1.00 52.14 H new ATOM 0 HZ3 LYS A2095 8.554 14.483 -8.499 1.00 52.14 H new ATOM 1354 N ASP A2096 5.022 14.747 -3.908 1.00 74.01 N ATOM 1355 CA ASP A2096 5.643 13.619 -3.235 1.00 53.32 C ATOM 1356 C ASP A2096 4.562 12.611 -2.840 1.00 5.13 C ATOM 1357 O ASP A2096 4.786 11.402 -2.898 1.00 25.10 O ATOM 1358 CB ASP A2096 6.362 14.066 -1.961 1.00 12.45 C ATOM 1359 CG ASP A2096 7.061 15.423 -2.054 1.00 71.03 C ATOM 1360 OD1 ASP A2096 7.512 15.836 -3.133 1.00 11.51 O ATOM 1361 OD2 ASP A2096 7.136 16.076 -0.943 1.00 22.20 O ATOM 0 H ASP A2096 5.094 15.634 -3.409 1.00 74.01 H new ATOM 0 HA ASP A2096 6.366 13.173 -3.918 1.00 53.32 H new ATOM 0 HB2 ASP A2096 5.638 14.103 -1.147 1.00 12.45 H new ATOM 0 HB3 ASP A2096 7.102 13.311 -1.696 1.00 12.45 H new ATOM 1367 N LEU A2097 3.416 13.143 -2.446 1.00 35.52 N ATOM 1368 CA LEU A2097 2.301 12.304 -2.042 1.00 51.44 C ATOM 1369 C LEU A2097 1.842 11.463 -3.234 1.00 53.13 C ATOM 1370 O LEU A2097 1.667 10.251 -3.112 1.00 41.50 O ATOM 1371 CB LEU A2097 1.187 13.154 -1.424 1.00 35.11 C ATOM 1372 CG LEU A2097 0.289 12.445 -0.408 1.00 12.01 C ATOM 1373 CD1 LEU A2097 -0.906 13.323 -0.028 1.00 4.32 C ATOM 1374 CD2 LEU A2097 -0.149 11.074 -0.925 1.00 43.32 C ATOM 0 H LEU A2097 3.235 14.146 -2.398 1.00 35.52 H new ATOM 0 HA LEU A2097 2.611 11.609 -1.262 1.00 51.44 H new ATOM 0 HB2 LEU A2097 1.642 14.016 -0.937 1.00 35.11 H new ATOM 0 HB3 LEU A2097 0.560 13.537 -2.229 1.00 35.11 H new ATOM 0 HG LEU A2097 0.868 12.276 0.500 1.00 12.01 H new ATOM 0 HD11 LEU A2097 -1.529 12.797 0.695 1.00 4.32 H new ATOM 0 HD12 LEU A2097 -0.548 14.254 0.411 1.00 4.32 H new ATOM 0 HD13 LEU A2097 -1.493 13.544 -0.919 1.00 4.32 H new ATOM 0 HD21 LEU A2097 -0.786 10.592 -0.183 1.00 43.32 H new ATOM 0 HD22 LEU A2097 -0.704 11.196 -1.855 1.00 43.32 H new ATOM 0 HD23 LEU A2097 0.730 10.455 -1.105 1.00 43.32 H new ATOM 1386 N THR A2098 1.661 12.138 -4.360 1.00 22.24 N ATOM 1387 CA THR A2098 1.227 11.467 -5.572 1.00 41.15 C ATOM 1388 C THR A2098 2.205 10.350 -5.944 1.00 73.33 C ATOM 1389 O THR A2098 1.789 9.265 -6.349 1.00 70.12 O ATOM 1390 CB THR A2098 1.067 12.524 -6.667 1.00 34.02 C ATOM 1391 OG1 THR A2098 -0.006 13.340 -6.206 1.00 72.43 O ATOM 1392 CG2 THR A2098 0.551 11.935 -7.981 1.00 33.45 C ATOM 0 H THR A2098 1.807 13.143 -4.458 1.00 22.24 H new ATOM 0 HA THR A2098 0.263 10.978 -5.429 1.00 41.15 H new ATOM 0 HB THR A2098 2.025 13.013 -6.842 1.00 34.02 H new ATOM 0 HG1 THR A2098 0.324 13.958 -5.520 1.00 72.43 H new ATOM 0 HG21 THR A2098 0.456 12.728 -8.723 1.00 33.45 H new ATOM 0 HG22 THR A2098 1.252 11.182 -8.342 1.00 33.45 H new ATOM 0 HG23 THR A2098 -0.423 11.474 -7.816 1.00 33.45 H new ATOM 1400 N GLN A2099 3.485 10.655 -5.794 1.00 11.33 N ATOM 1401 CA GLN A2099 4.526 9.692 -6.109 1.00 10.30 C ATOM 1402 C GLN A2099 4.393 8.458 -5.215 1.00 22.01 C ATOM 1403 O GLN A2099 4.480 7.327 -5.695 1.00 53.13 O ATOM 1404 CB GLN A2099 5.914 10.319 -5.975 1.00 43.32 C ATOM 1405 CG GLN A2099 6.720 10.153 -7.265 1.00 21.24 C ATOM 1406 CD GLN A2099 7.966 9.299 -7.025 1.00 44.31 C ATOM 1407 OE1 GLN A2099 8.077 8.573 -6.050 1.00 52.11 O ATOM 1408 NE2 GLN A2099 8.896 9.422 -7.969 1.00 34.30 N ATOM 0 H GLN A2099 3.825 11.556 -5.458 1.00 11.33 H new ATOM 0 HA GLN A2099 4.404 9.381 -7.147 1.00 10.30 H new ATOM 0 HB2 GLN A2099 5.817 11.378 -5.737 1.00 43.32 H new ATOM 0 HB3 GLN A2099 6.448 9.854 -5.146 1.00 43.32 H new ATOM 0 HG2 GLN A2099 6.098 9.688 -8.030 1.00 21.24 H new ATOM 0 HG3 GLN A2099 7.013 11.132 -7.644 1.00 21.24 H new ATOM 0 HE21 GLN A2099 8.741 10.047 -8.760 1.00 34.30 H new ATOM 0 HE22 GLN A2099 9.764 8.891 -7.902 1.00 34.30 H new ATOM 1417 N ALA A2100 4.186 8.713 -3.932 1.00 43.34 N ATOM 1418 CA ALA A2100 4.041 7.636 -2.968 1.00 51.11 C ATOM 1419 C ALA A2100 2.798 6.811 -3.313 1.00 15.33 C ATOM 1420 O ALA A2100 2.855 5.584 -3.349 1.00 62.33 O ATOM 1421 CB ALA A2100 3.978 8.222 -1.555 1.00 14.13 C ATOM 0 H ALA A2100 4.115 9.651 -3.537 1.00 43.34 H new ATOM 0 HA ALA A2100 4.901 6.967 -3.007 1.00 51.11 H new ATOM 0 HB1 ALA A2100 3.869 7.415 -0.831 1.00 14.13 H new ATOM 0 HB2 ALA A2100 4.895 8.773 -1.349 1.00 14.13 H new ATOM 0 HB3 ALA A2100 3.125 8.896 -1.478 1.00 14.13 H new ATOM 1427 N TRP A2101 1.707 7.520 -3.558 1.00 13.32 N ATOM 1428 CA TRP A2101 0.453 6.870 -3.899 1.00 11.13 C ATOM 1429 C TRP A2101 0.654 6.119 -5.215 1.00 3.35 C ATOM 1430 O TRP A2101 0.019 5.092 -5.452 1.00 1.34 O ATOM 1431 CB TRP A2101 -0.692 7.882 -3.956 1.00 33.14 C ATOM 1432 CG TRP A2101 -1.769 7.664 -2.890 1.00 65.31 C ATOM 1433 CD1 TRP A2101 -2.221 8.541 -1.982 1.00 5.42 C ATOM 1434 CD2 TRP A2101 -2.515 6.452 -2.659 1.00 72.22 C ATOM 1435 NE1 TRP A2101 -3.199 7.984 -1.185 1.00 41.33 N ATOM 1436 CE2 TRP A2101 -3.385 6.673 -1.610 1.00 13.12 C ATOM 1437 CE3 TRP A2101 -2.461 5.210 -3.313 1.00 55.32 C ATOM 1438 CZ2 TRP A2101 -4.263 5.698 -1.122 1.00 71.15 C ATOM 1439 CZ3 TRP A2101 -3.345 4.246 -2.814 1.00 1.23 C ATOM 1440 CH2 TRP A2101 -4.225 4.452 -1.759 1.00 53.14 C ATOM 0 H TRP A2101 1.665 8.539 -3.527 1.00 13.32 H new ATOM 0 HA TRP A2101 0.168 6.153 -3.129 1.00 11.13 H new ATOM 0 HB2 TRP A2101 -0.282 8.886 -3.844 1.00 33.14 H new ATOM 0 HB3 TRP A2101 -1.156 7.835 -4.941 1.00 33.14 H new ATOM 0 HD1 TRP A2101 -1.864 9.556 -1.887 1.00 5.42 H new ATOM 0 HE1 TRP A2101 -3.695 8.448 -0.424 1.00 41.33 H new ATOM 0 HE3 TRP A2101 -1.790 5.014 -4.136 1.00 55.32 H new ATOM 0 HZ2 TRP A2101 -4.933 5.896 -0.299 1.00 71.15 H new ATOM 0 HZ3 TRP A2101 -3.343 3.273 -3.283 1.00 1.23 H new ATOM 0 HH2 TRP A2101 -4.876 3.655 -1.432 1.00 53.14 H new ATOM 1451 N ASP A2102 1.539 6.659 -6.040 1.00 25.13 N ATOM 1452 CA ASP A2102 1.831 6.053 -7.327 1.00 43.32 C ATOM 1453 C ASP A2102 2.504 4.697 -7.107 1.00 74.30 C ATOM 1454 O ASP A2102 2.084 3.691 -7.678 1.00 70.33 O ATOM 1455 CB ASP A2102 2.786 6.927 -8.143 1.00 42.33 C ATOM 1456 CG ASP A2102 2.366 7.161 -9.596 1.00 43.43 C ATOM 1457 OD1 ASP A2102 3.169 6.996 -10.527 1.00 74.14 O ATOM 1458 OD2 ASP A2102 1.142 7.533 -9.756 1.00 71.24 O ATOM 0 H ASP A2102 2.064 7.511 -5.841 1.00 25.13 H new ATOM 0 HA ASP A2102 0.891 5.942 -7.868 1.00 43.32 H new ATOM 0 HB2 ASP A2102 2.883 7.893 -7.648 1.00 42.33 H new ATOM 0 HB3 ASP A2102 3.773 6.465 -8.136 1.00 42.33 H new ATOM 1464 N LEU A2103 3.537 4.711 -6.277 1.00 71.12 N ATOM 1465 CA LEU A2103 4.271 3.495 -5.974 1.00 50.13 C ATOM 1466 C LEU A2103 3.307 2.448 -5.413 1.00 52.32 C ATOM 1467 O LEU A2103 3.344 1.288 -5.815 1.00 1.14 O ATOM 1468 CB LEU A2103 5.454 3.800 -5.052 1.00 13.11 C ATOM 1469 CG LEU A2103 6.474 4.811 -5.579 1.00 24.50 C ATOM 1470 CD1 LEU A2103 7.193 5.515 -4.428 1.00 1.33 C ATOM 1471 CD2 LEU A2103 7.454 4.145 -6.548 1.00 73.31 C ATOM 0 H LEU A2103 3.883 5.546 -5.805 1.00 71.12 H new ATOM 0 HA LEU A2103 4.704 3.075 -6.882 1.00 50.13 H new ATOM 0 HB2 LEU A2103 5.064 4.169 -4.104 1.00 13.11 H new ATOM 0 HB3 LEU A2103 5.974 2.866 -4.841 1.00 13.11 H new ATOM 0 HG LEU A2103 5.939 5.578 -6.139 1.00 24.50 H new ATOM 0 HD11 LEU A2103 7.912 6.228 -4.830 1.00 1.33 H new ATOM 0 HD12 LEU A2103 6.465 6.043 -3.812 1.00 1.33 H new ATOM 0 HD13 LEU A2103 7.715 4.777 -3.820 1.00 1.33 H new ATOM 0 HD21 LEU A2103 8.169 4.885 -6.908 1.00 73.31 H new ATOM 0 HD22 LEU A2103 7.987 3.346 -6.034 1.00 73.31 H new ATOM 0 HD23 LEU A2103 6.905 3.730 -7.393 1.00 73.31 H new ATOM 1483 N TYR A2104 2.466 2.898 -4.493 1.00 43.11 N ATOM 1484 CA TYR A2104 1.492 2.015 -3.874 1.00 4.21 C ATOM 1485 C TYR A2104 0.491 1.493 -4.905 1.00 22.45 C ATOM 1486 O TYR A2104 0.203 0.297 -4.945 1.00 51.34 O ATOM 1487 CB TYR A2104 0.748 2.866 -2.842 1.00 70.34 C ATOM 1488 CG TYR A2104 1.596 3.257 -1.629 1.00 71.53 C ATOM 1489 CD1 TYR A2104 2.529 2.374 -1.127 1.00 23.10 C ATOM 1490 CD2 TYR A2104 1.425 4.493 -1.039 1.00 11.24 C ATOM 1491 CE1 TYR A2104 3.326 2.742 0.014 1.00 30.33 C ATOM 1492 CE2 TYR A2104 2.222 4.860 0.103 1.00 73.32 C ATOM 1493 CZ TYR A2104 3.134 3.968 0.574 1.00 61.32 C ATOM 1494 OH TYR A2104 3.885 4.314 1.652 1.00 41.23 O ATOM 0 H TYR A2104 2.439 3.862 -4.161 1.00 43.11 H new ATOM 0 HA TYR A2104 1.986 1.152 -3.427 1.00 4.21 H new ATOM 0 HB2 TYR A2104 0.386 3.773 -3.327 1.00 70.34 H new ATOM 0 HB3 TYR A2104 -0.129 2.317 -2.498 1.00 70.34 H new ATOM 0 HD1 TYR A2104 2.662 1.407 -1.590 1.00 23.10 H new ATOM 0 HD2 TYR A2104 0.695 5.184 -1.433 1.00 11.24 H new ATOM 0 HE1 TYR A2104 4.060 2.060 0.417 1.00 30.33 H new ATOM 0 HE2 TYR A2104 2.098 5.823 0.575 1.00 73.32 H new ATOM 0 HH TYR A2104 3.641 5.217 1.945 1.00 41.23 H new ATOM 1504 N TYR A2105 -0.013 2.413 -5.713 1.00 60.23 N ATOM 1505 CA TYR A2105 -0.976 2.060 -6.742 1.00 52.44 C ATOM 1506 C TYR A2105 -0.497 0.852 -7.551 1.00 54.24 C ATOM 1507 O TYR A2105 -1.241 -0.106 -7.741 1.00 21.34 O ATOM 1508 CB TYR A2105 -1.070 3.275 -7.667 1.00 21.31 C ATOM 1509 CG TYR A2105 -2.248 3.224 -8.641 1.00 61.01 C ATOM 1510 CD1 TYR A2105 -3.085 2.129 -8.656 1.00 3.15 C ATOM 1511 CD2 TYR A2105 -2.472 4.277 -9.509 1.00 5.33 C ATOM 1512 CE1 TYR A2105 -4.195 2.081 -9.574 1.00 42.42 C ATOM 1513 CE2 TYR A2105 -3.580 4.229 -10.427 1.00 43.04 C ATOM 1514 CZ TYR A2105 -4.386 3.133 -10.414 1.00 75.14 C ATOM 1515 OH TYR A2105 -5.433 3.090 -11.280 1.00 65.33 O ATOM 0 H TYR A2105 0.227 3.404 -5.676 1.00 60.23 H new ATOM 0 HA TYR A2105 -1.936 1.800 -6.296 1.00 52.44 H new ATOM 0 HB2 TYR A2105 -1.153 4.176 -7.059 1.00 21.31 H new ATOM 0 HB3 TYR A2105 -0.144 3.358 -8.236 1.00 21.31 H new ATOM 0 HD1 TYR A2105 -2.909 1.306 -7.979 1.00 3.15 H new ATOM 0 HD2 TYR A2105 -1.816 5.135 -9.498 1.00 5.33 H new ATOM 0 HE1 TYR A2105 -4.859 1.230 -9.594 1.00 42.42 H new ATOM 0 HE2 TYR A2105 -3.767 5.044 -11.110 1.00 43.04 H new ATOM 0 HH TYR A2105 -5.447 3.909 -11.817 1.00 65.33 H new ATOM 1525 N HIS A2106 0.744 0.943 -8.006 1.00 32.43 N ATOM 1526 CA HIS A2106 1.333 -0.131 -8.790 1.00 71.43 C ATOM 1527 C HIS A2106 1.410 -1.402 -7.945 1.00 21.12 C ATOM 1528 O HIS A2106 1.095 -2.491 -8.421 1.00 44.32 O ATOM 1529 CB HIS A2106 2.690 0.291 -9.353 1.00 45.34 C ATOM 1530 CG HIS A2106 2.976 -0.249 -10.736 1.00 3.23 C ATOM 1531 ND1 HIS A2106 2.563 0.391 -11.892 1.00 10.34 N ATOM 1532 CD2 HIS A2106 3.639 -1.374 -11.133 1.00 41.24 C ATOM 1533 CE1 HIS A2106 2.963 -0.326 -12.933 1.00 53.33 C ATOM 1534 NE2 HIS A2106 3.630 -1.418 -12.460 1.00 34.13 N ATOM 0 H HIS A2106 1.358 1.742 -7.847 1.00 32.43 H new ATOM 0 HA HIS A2106 0.699 -0.348 -9.650 1.00 71.43 H new ATOM 0 HB2 HIS A2106 2.737 1.380 -9.382 1.00 45.34 H new ATOM 0 HB3 HIS A2106 3.474 -0.044 -8.674 1.00 45.34 H new ATOM 0 HD2 HIS A2106 4.093 -2.104 -10.479 1.00 41.24 H new ATOM 0 HE1 HIS A2106 2.791 -0.088 -13.972 1.00 53.33 H new ATOM 0 HE2 HIS A2106 4.053 -2.149 -13.032 1.00 34.13 H new ATOM 1543 N VAL A2107 1.832 -1.222 -6.703 1.00 11.53 N ATOM 1544 CA VAL A2107 1.956 -2.341 -5.783 1.00 4.12 C ATOM 1545 C VAL A2107 0.577 -2.957 -5.549 1.00 35.23 C ATOM 1546 O VAL A2107 0.376 -4.149 -5.780 1.00 3.10 O ATOM 1547 CB VAL A2107 2.636 -1.887 -4.491 1.00 11.33 C ATOM 1548 CG1 VAL A2107 2.217 -2.766 -3.312 1.00 53.12 C ATOM 1549 CG2 VAL A2107 4.157 -1.868 -4.648 1.00 2.50 C ATOM 0 H VAL A2107 2.093 -0.317 -6.311 1.00 11.53 H new ATOM 0 HA VAL A2107 2.591 -3.117 -6.210 1.00 4.12 H new ATOM 0 HB VAL A2107 2.309 -0.868 -4.282 1.00 11.33 H new ATOM 0 HG11 VAL A2107 2.715 -2.421 -2.406 1.00 53.12 H new ATOM 0 HG12 VAL A2107 1.137 -2.705 -3.178 1.00 53.12 H new ATOM 0 HG13 VAL A2107 2.500 -3.800 -3.510 1.00 53.12 H new ATOM 0 HG21 VAL A2107 4.615 -1.541 -3.714 1.00 2.50 H new ATOM 0 HG22 VAL A2107 4.510 -2.869 -4.895 1.00 2.50 H new ATOM 0 HG23 VAL A2107 4.432 -1.180 -5.447 1.00 2.50 H new ATOM 1559 N PHE A2108 -0.341 -2.118 -5.090 1.00 73.55 N ATOM 1560 CA PHE A2108 -1.697 -2.565 -4.821 1.00 63.43 C ATOM 1561 C PHE A2108 -2.390 -3.018 -6.108 1.00 60.31 C ATOM 1562 O PHE A2108 -3.279 -3.869 -6.071 1.00 41.53 O ATOM 1563 CB PHE A2108 -2.456 -1.369 -4.242 1.00 41.34 C ATOM 1564 CG PHE A2108 -2.213 -1.143 -2.749 1.00 54.23 C ATOM 1565 CD1 PHE A2108 -1.010 -0.679 -2.318 1.00 0.11 C ATOM 1566 CD2 PHE A2108 -3.203 -1.405 -1.853 1.00 14.45 C ATOM 1567 CE1 PHE A2108 -0.786 -0.470 -0.931 1.00 3.03 C ATOM 1568 CE2 PHE A2108 -2.978 -1.194 -0.465 1.00 5.23 C ATOM 1569 CZ PHE A2108 -1.774 -0.731 -0.034 1.00 51.13 C ATOM 0 H PHE A2108 -0.172 -1.131 -4.898 1.00 73.55 H new ATOM 0 HA PHE A2108 -1.680 -3.409 -4.132 1.00 63.43 H new ATOM 0 HB2 PHE A2108 -2.168 -0.470 -4.787 1.00 41.34 H new ATOM 0 HB3 PHE A2108 -3.523 -1.514 -4.408 1.00 41.34 H new ATOM 0 HD1 PHE A2108 -0.225 -0.469 -3.030 1.00 0.11 H new ATOM 0 HD2 PHE A2108 -4.159 -1.773 -2.196 1.00 14.45 H new ATOM 0 HE1 PHE A2108 0.170 -0.103 -0.588 1.00 3.03 H new ATOM 0 HE2 PHE A2108 -3.763 -1.401 0.247 1.00 5.23 H new ATOM 0 HZ PHE A2108 -1.603 -0.571 1.020 1.00 51.13 H new ATOM 1579 N ARG A2109 -1.957 -2.433 -7.214 1.00 61.12 N ATOM 1580 CA ARG A2109 -2.525 -2.768 -8.509 1.00 44.12 C ATOM 1581 C ARG A2109 -2.030 -4.140 -8.968 1.00 11.32 C ATOM 1582 O ARG A2109 -2.699 -4.816 -9.749 1.00 13.13 O ATOM 1583 CB ARG A2109 -2.151 -1.721 -9.561 1.00 45.04 C ATOM 1584 CG ARG A2109 -2.469 -2.222 -10.970 1.00 3.31 C ATOM 1585 CD ARG A2109 -2.199 -1.136 -12.013 1.00 43.03 C ATOM 1586 NE ARG A2109 -3.460 -0.443 -12.360 1.00 52.02 N ATOM 1587 CZ ARG A2109 -4.379 -0.930 -13.218 1.00 73.35 C ATOM 1588 NH1 ARG A2109 -4.187 -2.120 -13.826 1.00 61.24 N ATOM 1589 NH2 ARG A2109 -5.471 -0.225 -13.456 1.00 11.24 N ATOM 0 H ARG A2109 -1.219 -1.729 -7.241 1.00 61.12 H new ATOM 0 HA ARG A2109 -3.609 -2.788 -8.400 1.00 44.12 H new ATOM 0 HB2 ARG A2109 -2.695 -0.796 -9.369 1.00 45.04 H new ATOM 0 HB3 ARG A2109 -1.089 -1.487 -9.485 1.00 45.04 H new ATOM 0 HG2 ARG A2109 -1.865 -3.102 -11.192 1.00 3.31 H new ATOM 0 HG3 ARG A2109 -3.513 -2.530 -11.023 1.00 3.31 H new ATOM 0 HD2 ARG A2109 -1.475 -0.419 -11.625 1.00 43.03 H new ATOM 0 HD3 ARG A2109 -1.760 -1.580 -12.907 1.00 43.03 H new ATOM 0 HE ARG A2109 -3.645 0.460 -11.923 1.00 52.02 H new ATOM 0 HH11 ARG A2109 -3.341 -2.658 -13.638 1.00 61.24 H new ATOM 0 HH12 ARG A2109 -4.888 -2.481 -14.474 1.00 61.24 H new ATOM 0 HH21 ARG A2109 -5.609 0.673 -12.993 1.00 11.24 H new ATOM 0 HH22 ARG A2109 -6.176 -0.579 -14.102 1.00 11.24 H new ATOM 1601 N ARG A2110 -0.862 -4.511 -8.465 1.00 12.04 N ATOM 1602 CA ARG A2110 -0.268 -5.791 -8.812 1.00 54.11 C ATOM 1603 C ARG A2110 -0.944 -6.919 -8.029 1.00 62.35 C ATOM 1604 O ARG A2110 -1.387 -7.906 -8.614 1.00 23.32 O ATOM 1605 CB ARG A2110 1.232 -5.802 -8.518 1.00 0.05 C ATOM 1606 CG ARG A2110 2.044 -5.910 -9.809 1.00 43.33 C ATOM 1607 CD ARG A2110 2.427 -4.524 -10.335 1.00 33.44 C ATOM 1608 NE ARG A2110 2.817 -4.613 -11.759 1.00 4.00 N ATOM 1609 CZ ARG A2110 1.949 -4.520 -12.790 1.00 40.44 C ATOM 1610 NH1 ARG A2110 0.632 -4.331 -12.562 1.00 34.53 N ATOM 1611 NH2 ARG A2110 2.409 -4.614 -14.023 1.00 53.13 N ATOM 0 H ARG A2110 -0.310 -3.947 -7.819 1.00 12.04 H new ATOM 0 HA ARG A2110 -0.416 -5.946 -9.881 1.00 54.11 H new ATOM 0 HB2 ARG A2110 1.508 -4.892 -7.986 1.00 0.05 H new ATOM 0 HB3 ARG A2110 1.471 -6.640 -7.863 1.00 0.05 H new ATOM 0 HG2 ARG A2110 2.945 -6.496 -9.628 1.00 43.33 H new ATOM 0 HG3 ARG A2110 1.465 -6.442 -10.564 1.00 43.33 H new ATOM 0 HD2 ARG A2110 1.587 -3.838 -10.222 1.00 33.44 H new ATOM 0 HD3 ARG A2110 3.251 -4.118 -9.748 1.00 33.44 H new ATOM 0 HE ARG A2110 3.804 -4.753 -11.976 1.00 4.00 H new ATOM 0 HH11 ARG A2110 0.285 -4.257 -11.606 1.00 34.53 H new ATOM 0 HH12 ARG A2110 -0.017 -4.262 -13.346 1.00 34.53 H new ATOM 0 HH21 ARG A2110 3.406 -4.755 -14.186 1.00 53.13 H new ATOM 0 HH22 ARG A2110 1.768 -4.546 -14.813 1.00 53.13 H new ATOM 1623 N ILE A2111 -1.002 -6.735 -6.719 1.00 43.22 N ATOM 1624 CA ILE A2111 -1.614 -7.724 -5.850 1.00 65.51 C ATOM 1625 C ILE A2111 -3.053 -7.975 -6.306 1.00 22.31 C ATOM 1626 O ILE A2111 -3.649 -8.995 -5.962 1.00 25.20 O ATOM 1627 CB ILE A2111 -1.499 -7.297 -4.385 1.00 65.31 C ATOM 1628 CG1 ILE A2111 -1.547 -5.773 -4.254 1.00 20.15 C ATOM 1629 CG2 ILE A2111 -0.245 -7.889 -3.739 1.00 51.00 C ATOM 1630 CD1 ILE A2111 -2.263 -5.357 -2.967 1.00 41.01 C ATOM 0 H ILE A2111 -0.634 -5.914 -6.238 1.00 43.22 H new ATOM 0 HA ILE A2111 -1.085 -8.674 -5.923 1.00 65.51 H new ATOM 0 HB ILE A2111 -2.358 -7.694 -3.844 1.00 65.31 H new ATOM 0 HG12 ILE A2111 -0.534 -5.372 -4.257 1.00 20.15 H new ATOM 0 HG13 ILE A2111 -2.061 -5.346 -5.115 1.00 20.15 H new ATOM 0 HG21 ILE A2111 -0.187 -7.570 -2.698 1.00 51.00 H new ATOM 0 HG22 ILE A2111 -0.292 -8.977 -3.783 1.00 51.00 H new ATOM 0 HG23 ILE A2111 0.639 -7.542 -4.275 1.00 51.00 H new ATOM 0 HD11 ILE A2111 -2.284 -4.269 -2.897 1.00 41.01 H new ATOM 0 HD12 ILE A2111 -3.284 -5.739 -2.979 1.00 41.01 H new ATOM 0 HD13 ILE A2111 -1.732 -5.765 -2.107 1.00 41.01 H new ATOM 1642 N SER A2112 -3.571 -7.027 -7.074 1.00 4.22 N ATOM 1643 CA SER A2112 -4.929 -7.132 -7.580 1.00 1.42 C ATOM 1644 C SER A2112 -4.912 -7.672 -9.011 1.00 34.32 C ATOM 1645 O SER A2112 -5.687 -8.566 -9.350 1.00 51.33 O ATOM 1646 CB SER A2112 -5.641 -5.780 -7.530 1.00 42.02 C ATOM 1647 OG SER A2112 -7.038 -5.920 -7.290 1.00 64.03 O ATOM 0 H SER A2112 -3.074 -6.183 -7.358 1.00 4.22 H new ATOM 0 HA SER A2112 -5.480 -7.825 -6.944 1.00 1.42 H new ATOM 0 HB2 SER A2112 -5.198 -5.166 -6.746 1.00 42.02 H new ATOM 0 HB3 SER A2112 -5.486 -5.254 -8.472 1.00 42.02 H new ATOM 0 HG SER A2112 -7.456 -5.034 -7.264 1.00 64.03 H new ATOM 1653 N LYS A2113 -4.023 -7.106 -9.813 1.00 72.55 N ATOM 1654 CA LYS A2113 -3.896 -7.519 -11.201 1.00 51.21 C ATOM 1655 C LYS A2113 -3.778 -9.043 -11.265 1.00 70.23 C ATOM 1656 O LYS A2113 -3.075 -9.649 -10.460 1.00 32.12 O ATOM 1657 CB LYS A2113 -2.736 -6.782 -11.875 1.00 71.21 C ATOM 1658 CG LYS A2113 -2.378 -7.433 -13.212 1.00 61.00 C ATOM 1659 CD LYS A2113 -2.395 -6.405 -14.344 1.00 64.35 C ATOM 1660 CE LYS A2113 -0.986 -6.163 -14.889 1.00 13.14 C ATOM 1661 NZ LYS A2113 -0.930 -4.885 -15.633 1.00 23.22 N ATOM 0 H LYS A2113 -3.383 -6.364 -9.529 1.00 72.55 H new ATOM 0 HA LYS A2113 -4.788 -7.244 -11.765 1.00 51.21 H new ATOM 0 HB2 LYS A2113 -3.007 -5.739 -12.035 1.00 71.21 H new ATOM 0 HB3 LYS A2113 -1.866 -6.788 -11.219 1.00 71.21 H new ATOM 0 HG2 LYS A2113 -1.390 -7.890 -13.145 1.00 61.00 H new ATOM 0 HG3 LYS A2113 -3.085 -8.233 -13.432 1.00 61.00 H new ATOM 0 HD2 LYS A2113 -3.044 -6.754 -15.147 1.00 64.35 H new ATOM 0 HD3 LYS A2113 -2.814 -5.467 -13.981 1.00 64.35 H new ATOM 0 HE2 LYS A2113 -0.270 -6.144 -14.067 1.00 13.14 H new ATOM 0 HE3 LYS A2113 -0.697 -6.985 -15.544 1.00 13.14 H new ATOM 0 HZ1 LYS A2113 0.033 -4.737 -15.996 1.00 23.22 H new ATOM 0 HZ2 LYS A2113 -1.599 -4.917 -16.429 1.00 23.22 H new ATOM 0 HZ3 LYS A2113 -1.185 -4.102 -14.998 1.00 23.22 H new