USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=18 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: A2085 CYS SG : rot -85:sc= 0.49 USER MOD Set 1.2: A2104 TYR OH : rot 170:sc= 0.637 USER MOD Set 2.1: A2026 MET CE :methyl 147:sc= -10.7! (180deg=-9.23!) USER MOD Set 2.2: A2057 MET CE :methyl 177:sc= -3.71! (180deg=-0.0169) USER MOD Set 2.3: A2058 MET CE :methyl 151:sc= -21.3! (180deg=-16.9!) USER MOD Single : A2024 HIS : no HD1:sc= -2.15 X(o=-2.2,f=-2.2!) USER MOD Single : A2028 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A2035 SER OG : rot 180:sc= 0 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.0104 K(o=-0.01,f=-1.1) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -133:sc= -5.81! (180deg=-7.5!) USER MOD Single : A2055 HIS : no HD1:sc= -4.44! K(o=-4.4!,f=-2) USER MOD Single : A2063 GLN : amide:sc= -7.59! C(o=-7.6!,f=-8.6!) 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 49:sc= 1.22 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.99) USER MOD Single : A2072 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.6) USER MOD Single : A2074 TYR OH : rot 150:sc= -3.3! USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc= -0.425 K(o=-0.43,f=-2.6!) 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 -105:sc= -8.33! (180deg=-13!) 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= -0.248 K(o=-0.25,f=-1.5!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 77:sc= 0.00305 USER MOD Single : A2099 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.018) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=-0.0093) 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 -7.874 -12.411 2.491 1.00 32.53 N ATOM 144 CA LEU A2022 -6.440 -12.554 2.682 1.00 25.44 C ATOM 145 C LEU A2022 -5.805 -11.168 2.800 1.00 10.04 C ATOM 146 O LEU A2022 -6.485 -10.194 3.116 1.00 60.24 O ATOM 147 CB LEU A2022 -5.836 -13.415 1.573 1.00 23.11 C ATOM 148 CG LEU A2022 -5.953 -12.859 0.151 1.00 2.43 C ATOM 149 CD1 LEU A2022 -5.530 -13.905 -0.883 1.00 53.43 C ATOM 150 CD2 LEU A2022 -7.362 -12.326 -0.115 1.00 14.40 C ATOM 0 HA LEU A2022 -6.230 -13.081 3.613 1.00 25.44 H new ATOM 0 HB2 LEU A2022 -4.780 -13.570 1.795 1.00 23.11 H new ATOM 0 HB3 LEU A2022 -6.314 -14.394 1.599 1.00 23.11 H new ATOM 0 HG LEU A2022 -5.268 -12.017 0.056 1.00 2.43 H new ATOM 0 HD11 LEU A2022 -5.622 -13.485 -1.884 1.00 53.43 H new ATOM 0 HD12 LEU A2022 -4.494 -14.194 -0.705 1.00 53.43 H new ATOM 0 HD13 LEU A2022 -6.172 -14.782 -0.797 1.00 53.43 H new ATOM 0 HD21 LEU A2022 -7.418 -11.937 -1.132 1.00 14.40 H new ATOM 0 HD22 LEU A2022 -8.085 -13.133 0.005 1.00 14.40 H new ATOM 0 HD23 LEU A2022 -7.588 -11.528 0.592 1.00 14.40 H new ATOM 162 N TRP A2023 -4.507 -11.123 2.540 1.00 12.43 N ATOM 163 CA TRP A2023 -3.770 -9.871 2.613 1.00 22.52 C ATOM 164 C TRP A2023 -4.330 -8.933 1.542 1.00 54.40 C ATOM 165 O TRP A2023 -4.670 -7.786 1.834 1.00 61.10 O ATOM 166 CB TRP A2023 -2.267 -10.112 2.472 1.00 0.01 C ATOM 167 CG TRP A2023 -1.555 -10.400 3.797 1.00 62.50 C ATOM 168 CD1 TRP A2023 -2.104 -10.751 4.968 1.00 43.53 C ATOM 169 CD2 TRP A2023 -0.134 -10.346 4.039 1.00 33.10 C ATOM 170 NE1 TRP A2023 -1.144 -10.927 5.944 1.00 24.33 N ATOM 171 CE2 TRP A2023 0.093 -10.672 5.361 1.00 20.05 C ATOM 172 CE3 TRP A2023 0.926 -10.030 3.170 1.00 2.33 C ATOM 173 CZ2 TRP A2023 1.370 -10.717 5.932 1.00 11.15 C ATOM 174 CZ3 TRP A2023 2.196 -10.080 3.757 1.00 60.55 C ATOM 175 CH2 TRP A2023 2.441 -10.407 5.084 1.00 53.33 C ATOM 0 H TRP A2023 -3.945 -11.933 2.278 1.00 12.43 H new ATOM 0 HA TRP A2023 -3.898 -9.402 3.588 1.00 22.52 H new ATOM 0 HB2 TRP A2023 -2.106 -10.951 1.795 1.00 0.01 H new ATOM 0 HB3 TRP A2023 -1.811 -9.237 2.009 1.00 0.01 H new ATOM 0 HD1 TRP A2023 -3.164 -10.880 5.128 1.00 43.53 H new ATOM 0 HE1 TRP A2023 -1.311 -11.195 6.914 1.00 24.33 H new ATOM 0 HE3 TRP A2023 0.772 -9.770 2.133 1.00 2.33 H new ATOM 0 HZ2 TRP A2023 1.521 -10.976 6.969 1.00 11.15 H new ATOM 0 HZ3 TRP A2023 3.046 -9.848 3.133 1.00 60.55 H new ATOM 0 HH2 TRP A2023 3.453 -10.422 5.461 1.00 53.33 H new ATOM 186 N HIS A2024 -4.405 -9.452 0.326 1.00 53.53 N ATOM 187 CA HIS A2024 -4.915 -8.672 -0.790 1.00 30.44 C ATOM 188 C HIS A2024 -6.197 -7.951 -0.367 1.00 24.32 C ATOM 189 O HIS A2024 -6.553 -6.923 -0.943 1.00 13.25 O ATOM 190 CB HIS A2024 -5.113 -9.556 -2.023 1.00 25.22 C ATOM 191 CG HIS A2024 -4.043 -10.607 -2.203 1.00 21.21 C ATOM 192 ND1 HIS A2024 -4.253 -11.780 -2.910 1.00 75.55 N ATOM 193 CD2 HIS A2024 -2.752 -10.649 -1.764 1.00 34.31 C ATOM 194 CE1 HIS A2024 -3.135 -12.487 -2.890 1.00 35.03 C ATOM 195 NE2 HIS A2024 -2.206 -11.785 -2.177 1.00 42.13 N ATOM 0 H HIS A2024 -4.122 -10.403 0.088 1.00 53.53 H new ATOM 0 HA HIS A2024 -4.186 -7.912 -1.071 1.00 30.44 H new ATOM 0 HB2 HIS A2024 -6.083 -10.048 -1.953 1.00 25.22 H new ATOM 0 HB3 HIS A2024 -5.140 -8.924 -2.910 1.00 25.22 H new ATOM 0 HD2 HIS A2024 -2.258 -9.887 -1.179 1.00 34.31 H new ATOM 0 HE1 HIS A2024 -2.984 -13.450 -3.356 1.00 35.03 H new ATOM 0 HE2 HIS A2024 -1.249 -12.085 -1.992 1.00 42.13 H new ATOM 204 N GLU A2025 -6.854 -8.515 0.635 1.00 1.24 N ATOM 205 CA GLU A2025 -8.087 -7.938 1.141 1.00 23.50 C ATOM 206 C GLU A2025 -7.789 -6.675 1.951 1.00 42.30 C ATOM 207 O GLU A2025 -8.515 -5.687 1.856 1.00 11.33 O ATOM 208 CB GLU A2025 -8.867 -8.955 1.979 1.00 63.13 C ATOM 209 CG GLU A2025 -10.288 -8.462 2.257 1.00 64.33 C ATOM 210 CD GLU A2025 -10.689 -8.738 3.706 1.00 41.33 C ATOM 211 OE1 GLU A2025 -10.420 -9.830 4.228 1.00 2.22 O ATOM 212 OE2 GLU A2025 -11.303 -7.768 4.296 1.00 0.21 O ATOM 0 H GLU A2025 -6.555 -9.366 1.111 1.00 1.24 H new ATOM 0 HA GLU A2025 -8.711 -7.663 0.291 1.00 23.50 H new ATOM 0 HB2 GLU A2025 -8.906 -9.910 1.455 1.00 63.13 H new ATOM 0 HB3 GLU A2025 -8.348 -9.129 2.921 1.00 63.13 H new ATOM 0 HG2 GLU A2025 -10.352 -7.393 2.055 1.00 64.33 H new ATOM 0 HG3 GLU A2025 -10.987 -8.956 1.582 1.00 64.33 H new ATOM 220 N MET A2026 -6.719 -6.750 2.731 1.00 71.41 N ATOM 221 CA MET A2026 -6.316 -5.626 3.556 1.00 31.21 C ATOM 222 C MET A2026 -5.846 -4.452 2.694 1.00 21.32 C ATOM 223 O MET A2026 -6.011 -3.293 3.074 1.00 63.21 O ATOM 224 CB MET A2026 -5.182 -6.057 4.490 1.00 15.21 C ATOM 225 CG MET A2026 -3.823 -5.923 3.801 1.00 23.32 C ATOM 226 SD MET A2026 -3.136 -4.306 4.114 1.00 74.53 S ATOM 227 CE MET A2026 -1.398 -4.708 4.146 1.00 44.23 C ATOM 0 H MET A2026 -6.120 -7.572 2.808 1.00 71.41 H new ATOM 0 HA MET A2026 -7.178 -5.303 4.140 1.00 31.21 H new ATOM 0 HB2 MET A2026 -5.198 -5.446 5.393 1.00 15.21 H new ATOM 0 HB3 MET A2026 -5.335 -7.090 4.801 1.00 15.21 H new ATOM 0 HG2 MET A2026 -3.143 -6.693 4.167 1.00 23.32 H new ATOM 0 HG3 MET A2026 -3.933 -6.079 2.728 1.00 23.32 H new ATOM 0 HE1 MET A2026 -0.823 -3.870 3.752 1.00 44.23 H new ATOM 0 HE2 MET A2026 -1.090 -4.909 5.172 1.00 44.23 H new ATOM 0 HE3 MET A2026 -1.217 -5.591 3.533 1.00 44.23 H new ATOM 237 N TRP A2027 -5.272 -4.792 1.549 1.00 54.44 N ATOM 238 CA TRP A2027 -4.779 -3.781 0.631 1.00 51.24 C ATOM 239 C TRP A2027 -5.986 -3.115 -0.032 1.00 53.43 C ATOM 240 O TRP A2027 -6.090 -1.889 -0.051 1.00 64.33 O ATOM 241 CB TRP A2027 -3.801 -4.388 -0.378 1.00 42.13 C ATOM 242 CG TRP A2027 -2.481 -4.854 0.238 1.00 3.24 C ATOM 243 CD1 TRP A2027 -2.253 -5.960 0.957 1.00 14.12 C ATOM 244 CD2 TRP A2027 -1.208 -4.178 0.157 1.00 53.44 C ATOM 245 NE1 TRP A2027 -0.931 -6.047 1.345 1.00 0.35 N ATOM 246 CE2 TRP A2027 -0.275 -4.928 0.843 1.00 75.31 C ATOM 247 CE3 TRP A2027 -0.858 -2.972 -0.475 1.00 15.32 C ATOM 248 CZ2 TRP A2027 1.069 -4.557 0.964 1.00 64.30 C ATOM 249 CZ3 TRP A2027 0.491 -2.616 -0.345 1.00 72.02 C ATOM 250 CH2 TRP A2027 1.441 -3.359 0.343 1.00 31.32 C ATOM 0 H TRP A2027 -5.138 -5.754 1.237 1.00 54.44 H new ATOM 0 HA TRP A2027 -4.211 -3.019 1.165 1.00 51.24 H new ATOM 0 HB2 TRP A2027 -4.280 -5.235 -0.869 1.00 42.13 H new ATOM 0 HB3 TRP A2027 -3.589 -3.650 -1.152 1.00 42.13 H new ATOM 0 HD1 TRP A2027 -3.008 -6.692 1.203 1.00 14.12 H new ATOM 0 HE1 TRP A2027 -0.512 -6.795 1.898 1.00 0.35 H new ATOM 0 HE3 TRP A2027 -1.571 -2.369 -1.017 1.00 15.32 H new ATOM 0 HZ2 TRP A2027 1.780 -5.162 1.507 1.00 64.30 H new ATOM 0 HZ3 TRP A2027 0.815 -1.698 -0.813 1.00 72.02 H new ATOM 0 HH2 TRP A2027 2.463 -3.014 0.399 1.00 31.32 H new ATOM 261 N HIS A2028 -6.867 -3.952 -0.559 1.00 71.23 N ATOM 262 CA HIS A2028 -8.062 -3.459 -1.223 1.00 72.30 C ATOM 263 C HIS A2028 -8.860 -2.581 -0.256 1.00 71.23 C ATOM 264 O HIS A2028 -9.233 -1.459 -0.595 1.00 0.24 O ATOM 265 CB HIS A2028 -8.887 -4.618 -1.788 1.00 20.02 C ATOM 266 CG HIS A2028 -9.065 -4.570 -3.288 1.00 3.13 C ATOM 267 ND1 HIS A2028 -10.309 -4.555 -3.895 1.00 4.42 N ATOM 268 CD2 HIS A2028 -8.145 -4.535 -4.293 1.00 4.32 C ATOM 269 CE1 HIS A2028 -10.132 -4.513 -5.207 1.00 54.45 C ATOM 270 NE2 HIS A2028 -8.791 -4.501 -5.453 1.00 13.40 N ATOM 0 H HIS A2028 -6.778 -4.968 -0.540 1.00 71.23 H new ATOM 0 HA HIS A2028 -7.780 -2.840 -2.075 1.00 72.30 H new ATOM 0 HB2 HIS A2028 -8.406 -5.558 -1.519 1.00 20.02 H new ATOM 0 HB3 HIS A2028 -9.869 -4.616 -1.315 1.00 20.02 H new ATOM 0 HD2 HIS A2028 -7.072 -4.535 -4.167 1.00 4.32 H new ATOM 0 HE1 HIS A2028 -10.914 -4.492 -5.952 1.00 54.45 H new ATOM 0 HE2 HIS A2028 -8.356 -4.471 -6.375 1.00 13.40 H new ATOM 279 N GLU A2029 -9.099 -3.125 0.928 1.00 0.34 N ATOM 280 CA GLU A2029 -9.846 -2.406 1.945 1.00 24.13 C ATOM 281 C GLU A2029 -9.045 -1.198 2.439 1.00 61.11 C ATOM 282 O GLU A2029 -9.585 -0.101 2.564 1.00 14.20 O ATOM 283 CB GLU A2029 -10.217 -3.329 3.109 1.00 53.23 C ATOM 284 CG GLU A2029 -10.780 -4.656 2.597 1.00 54.32 C ATOM 285 CD GLU A2029 -12.290 -4.736 2.825 1.00 74.02 C ATOM 286 OE1 GLU A2029 -12.982 -3.709 2.754 1.00 75.43 O ATOM 287 OE2 GLU A2029 -12.742 -5.917 3.084 1.00 3.30 O ATOM 0 H GLU A2029 -8.788 -4.056 1.206 1.00 0.34 H new ATOM 0 HA GLU A2029 -10.773 -2.046 1.499 1.00 24.13 H new ATOM 0 HB2 GLU A2029 -9.337 -3.516 3.724 1.00 53.23 H new ATOM 0 HB3 GLU A2029 -10.953 -2.839 3.746 1.00 53.23 H new ATOM 0 HG2 GLU A2029 -10.563 -4.761 1.534 1.00 54.32 H new ATOM 0 HG3 GLU A2029 -10.287 -5.485 3.106 1.00 54.32 H new ATOM 295 N GLY A2030 -7.770 -1.443 2.701 1.00 44.32 N ATOM 296 CA GLY A2030 -6.888 -0.391 3.176 1.00 62.45 C ATOM 297 C GLY A2030 -6.949 0.833 2.257 1.00 32.04 C ATOM 298 O GLY A2030 -7.388 1.904 2.672 1.00 54.22 O ATOM 0 H GLY A2030 -7.326 -2.355 2.593 1.00 44.32 H new ATOM 0 HA2 GLY A2030 -7.171 -0.104 4.189 1.00 62.45 H new ATOM 0 HA3 GLY A2030 -5.865 -0.763 3.224 1.00 62.45 H new ATOM 302 N LEU A2031 -6.505 0.630 1.026 1.00 13.52 N ATOM 303 CA LEU A2031 -6.504 1.703 0.046 1.00 63.42 C ATOM 304 C LEU A2031 -7.933 2.214 -0.147 1.00 30.23 C ATOM 305 O LEU A2031 -8.144 3.403 -0.378 1.00 31.42 O ATOM 306 CB LEU A2031 -5.836 1.241 -1.253 1.00 31.10 C ATOM 307 CG LEU A2031 -4.720 2.141 -1.790 1.00 72.45 C ATOM 308 CD1 LEU A2031 -3.739 2.516 -0.680 1.00 54.44 C ATOM 309 CD2 LEU A2031 -4.018 1.489 -2.983 1.00 3.23 C ATOM 0 H LEU A2031 -6.144 -0.261 0.685 1.00 13.52 H new ATOM 0 HA LEU A2031 -5.910 2.544 0.403 1.00 63.42 H new ATOM 0 HB2 LEU A2031 -5.426 0.244 -1.093 1.00 31.10 H new ATOM 0 HB3 LEU A2031 -6.604 1.150 -2.021 1.00 31.10 H new ATOM 0 HG LEU A2031 -5.168 3.068 -2.149 1.00 72.45 H new ATOM 0 HD11 LEU A2031 -2.956 3.156 -1.087 1.00 54.44 H new ATOM 0 HD12 LEU A2031 -4.269 3.049 0.109 1.00 54.44 H new ATOM 0 HD13 LEU A2031 -3.291 1.611 -0.269 1.00 54.44 H new ATOM 0 HD21 LEU A2031 -3.230 2.148 -3.346 1.00 3.23 H new ATOM 0 HD22 LEU A2031 -3.583 0.539 -2.674 1.00 3.23 H new ATOM 0 HD23 LEU A2031 -4.741 1.315 -3.780 1.00 3.23 H new ATOM 321 N GLU A2032 -8.877 1.290 -0.042 1.00 74.21 N ATOM 322 CA GLU A2032 -10.279 1.632 -0.202 1.00 54.21 C ATOM 323 C GLU A2032 -10.659 2.770 0.748 1.00 34.45 C ATOM 324 O GLU A2032 -11.198 3.791 0.318 1.00 25.34 O ATOM 325 CB GLU A2032 -11.172 0.410 0.023 1.00 11.23 C ATOM 326 CG GLU A2032 -11.602 -0.207 -1.308 1.00 51.25 C ATOM 327 CD GLU A2032 -13.123 -0.149 -1.474 1.00 72.20 C ATOM 328 OE1 GLU A2032 -13.791 0.636 -0.784 1.00 3.34 O ATOM 329 OE2 GLU A2032 -13.606 -0.954 -2.357 1.00 30.44 O ATOM 0 H GLU A2032 -8.698 0.305 0.152 1.00 74.21 H new ATOM 0 HA GLU A2032 -10.435 1.971 -1.226 1.00 54.21 H new ATOM 0 HB2 GLU A2032 -10.637 -0.332 0.616 1.00 11.23 H new ATOM 0 HB3 GLU A2032 -12.053 0.700 0.595 1.00 11.23 H new ATOM 0 HG2 GLU A2032 -11.122 0.324 -2.131 1.00 51.25 H new ATOM 0 HG3 GLU A2032 -11.266 -1.243 -1.358 1.00 51.25 H new ATOM 337 N GLU A2033 -10.365 2.557 2.023 1.00 72.20 N ATOM 338 CA GLU A2033 -10.669 3.553 3.037 1.00 45.03 C ATOM 339 C GLU A2033 -9.765 4.777 2.868 1.00 42.41 C ATOM 340 O GLU A2033 -10.248 5.907 2.817 1.00 11.13 O ATOM 341 CB GLU A2033 -10.533 2.962 4.442 1.00 52.22 C ATOM 342 CG GLU A2033 -11.566 3.570 5.393 1.00 14.31 C ATOM 343 CD GLU A2033 -12.001 2.553 6.452 1.00 40.14 C ATOM 344 OE1 GLU A2033 -11.274 2.332 7.432 1.00 73.11 O ATOM 345 OE2 GLU A2033 -13.138 1.987 6.230 1.00 12.22 O ATOM 0 H GLU A2033 -9.920 1.710 2.377 1.00 72.20 H new ATOM 0 HA GLU A2033 -11.704 3.870 2.909 1.00 45.03 H new ATOM 0 HB2 GLU A2033 -10.664 1.881 4.400 1.00 52.22 H new ATOM 0 HB3 GLU A2033 -9.529 3.147 4.823 1.00 52.22 H new ATOM 0 HG2 GLU A2033 -11.145 4.450 5.880 1.00 14.31 H new ATOM 0 HG3 GLU A2033 -12.435 3.905 4.826 1.00 14.31 H new ATOM 353 N ALA A2034 -8.470 4.509 2.784 1.00 31.32 N ATOM 354 CA ALA A2034 -7.497 5.575 2.622 1.00 44.42 C ATOM 355 C ALA A2034 -7.919 6.473 1.457 1.00 72.23 C ATOM 356 O ALA A2034 -7.911 7.697 1.579 1.00 20.51 O ATOM 357 CB ALA A2034 -6.106 4.968 2.416 1.00 72.54 C ATOM 0 H ALA A2034 -8.073 3.570 2.825 1.00 31.32 H new ATOM 0 HA ALA A2034 -7.454 6.195 3.517 1.00 44.42 H new ATOM 0 HB1 ALA A2034 -5.375 5.767 2.294 1.00 72.54 H new ATOM 0 HB2 ALA A2034 -5.841 4.363 3.283 1.00 72.54 H new ATOM 0 HB3 ALA A2034 -6.111 4.342 1.524 1.00 72.54 H new ATOM 363 N SER A2035 -8.276 5.830 0.354 1.00 33.34 N ATOM 364 CA SER A2035 -8.701 6.557 -0.830 1.00 25.32 C ATOM 365 C SER A2035 -10.011 7.295 -0.549 1.00 54.14 C ATOM 366 O SER A2035 -10.102 8.504 -0.759 1.00 50.15 O ATOM 367 CB SER A2035 -8.870 5.613 -2.023 1.00 14.42 C ATOM 368 OG SER A2035 -9.703 6.175 -3.033 1.00 3.22 O ATOM 0 H SER A2035 -8.280 4.815 0.256 1.00 33.34 H new ATOM 0 HA SER A2035 -7.929 7.284 -1.081 1.00 25.32 H new ATOM 0 HB2 SER A2035 -7.892 5.384 -2.446 1.00 14.42 H new ATOM 0 HB3 SER A2035 -9.299 4.671 -1.682 1.00 14.42 H new ATOM 0 HG SER A2035 -9.785 5.544 -3.778 1.00 3.22 H new ATOM 374 N ARG A2036 -10.991 6.540 -0.079 1.00 31.03 N ATOM 375 CA ARG A2036 -12.292 7.108 0.233 1.00 1.53 C ATOM 376 C ARG A2036 -12.131 8.343 1.122 1.00 72.11 C ATOM 377 O ARG A2036 -12.718 9.389 0.849 1.00 14.23 O ATOM 378 CB ARG A2036 -13.183 6.088 0.945 1.00 51.33 C ATOM 379 CG ARG A2036 -14.660 6.350 0.648 1.00 72.20 C ATOM 380 CD ARG A2036 -15.388 6.862 1.892 1.00 41.10 C ATOM 381 NE ARG A2036 -16.227 8.031 1.542 1.00 34.12 N ATOM 382 CZ ARG A2036 -17.145 8.575 2.369 1.00 50.53 C ATOM 383 NH1 ARG A2036 -17.351 8.064 3.601 1.00 3.12 N ATOM 384 NH2 ARG A2036 -17.840 9.619 1.953 1.00 44.10 N ATOM 0 H ARG A2036 -10.911 5.538 0.094 1.00 31.03 H new ATOM 0 HA ARG A2036 -12.765 7.391 -0.707 1.00 1.53 H new ATOM 0 HB2 ARG A2036 -12.917 5.081 0.624 1.00 51.33 H new ATOM 0 HB3 ARG A2036 -13.010 6.136 2.020 1.00 51.33 H new ATOM 0 HG2 ARG A2036 -14.749 7.081 -0.156 1.00 72.20 H new ATOM 0 HG3 ARG A2036 -15.132 5.432 0.298 1.00 72.20 H new ATOM 0 HD2 ARG A2036 -16.009 6.071 2.312 1.00 41.10 H new ATOM 0 HD3 ARG A2036 -14.664 7.140 2.659 1.00 41.10 H new ATOM 0 HE ARG A2036 -16.104 8.451 0.620 1.00 34.12 H new ATOM 0 HH11 ARG A2036 -16.810 7.258 3.916 1.00 3.12 H new ATOM 0 HH12 ARG A2036 -18.047 8.483 4.217 1.00 3.12 H new ATOM 0 HH21 ARG A2036 -17.679 10.001 1.021 1.00 44.10 H new ATOM 0 HH22 ARG A2036 -18.538 10.043 2.564 1.00 44.10 H new ATOM 396 N LEU A2037 -11.333 8.180 2.168 1.00 70.12 N ATOM 397 CA LEU A2037 -11.090 9.269 3.099 1.00 65.53 C ATOM 398 C LEU A2037 -10.227 10.333 2.417 1.00 75.15 C ATOM 399 O LEU A2037 -10.502 11.526 2.532 1.00 42.03 O ATOM 400 CB LEU A2037 -10.492 8.736 4.402 1.00 1.53 C ATOM 401 CG LEU A2037 -9.067 8.186 4.310 1.00 50.41 C ATOM 402 CD1 LEU A2037 -8.052 9.318 4.125 1.00 61.20 C ATOM 403 CD2 LEU A2037 -8.736 7.314 5.523 1.00 4.31 C ATOM 0 H LEU A2037 -10.847 7.311 2.391 1.00 70.12 H new ATOM 0 HA LEU A2037 -12.028 9.749 3.378 1.00 65.53 H new ATOM 0 HB2 LEU A2037 -10.504 9.539 5.139 1.00 1.53 H new ATOM 0 HB3 LEU A2037 -11.141 7.947 4.780 1.00 1.53 H new ATOM 0 HG LEU A2037 -9.004 7.549 3.428 1.00 50.41 H new ATOM 0 HD11 LEU A2037 -7.048 8.899 4.063 1.00 61.20 H new ATOM 0 HD12 LEU A2037 -8.276 9.861 3.207 1.00 61.20 H new ATOM 0 HD13 LEU A2037 -8.109 10.000 4.973 1.00 61.20 H new ATOM 0 HD21 LEU A2037 -7.718 6.936 5.432 1.00 4.31 H new ATOM 0 HD22 LEU A2037 -8.823 7.908 6.433 1.00 4.31 H new ATOM 0 HD23 LEU A2037 -9.431 6.476 5.569 1.00 4.31 H new ATOM 415 N TYR A2038 -9.201 9.864 1.723 1.00 2.23 N ATOM 416 CA TYR A2038 -8.298 10.759 1.023 1.00 32.24 C ATOM 417 C TYR A2038 -9.072 11.730 0.128 1.00 23.33 C ATOM 418 O TYR A2038 -8.935 12.944 0.260 1.00 75.24 O ATOM 419 CB TYR A2038 -7.415 9.868 0.146 1.00 74.23 C ATOM 420 CG TYR A2038 -6.673 10.623 -0.958 1.00 25.52 C ATOM 421 CD1 TYR A2038 -5.461 11.226 -0.688 1.00 71.22 C ATOM 422 CD2 TYR A2038 -7.214 10.700 -2.226 1.00 14.54 C ATOM 423 CE1 TYR A2038 -4.763 11.936 -1.729 1.00 14.55 C ATOM 424 CE2 TYR A2038 -6.516 11.409 -3.265 1.00 63.13 C ATOM 425 CZ TYR A2038 -5.324 11.993 -2.966 1.00 12.02 C ATOM 426 OH TYR A2038 -4.664 12.663 -3.948 1.00 50.33 O ATOM 0 H TYR A2038 -8.975 8.874 1.631 1.00 2.23 H new ATOM 0 HA TYR A2038 -7.720 11.351 1.732 1.00 32.24 H new ATOM 0 HB2 TYR A2038 -6.686 9.361 0.778 1.00 74.23 H new ATOM 0 HB3 TYR A2038 -8.034 9.095 -0.309 1.00 74.23 H new ATOM 0 HD1 TYR A2038 -5.036 11.165 0.303 1.00 71.22 H new ATOM 0 HD2 TYR A2038 -8.162 10.228 -2.438 1.00 14.54 H new ATOM 0 HE1 TYR A2038 -3.814 12.413 -1.531 1.00 14.55 H new ATOM 0 HE2 TYR A2038 -6.929 11.476 -4.261 1.00 63.13 H new ATOM 0 HH TYR A2038 -5.182 12.620 -4.779 1.00 50.33 H new ATOM 501 N ASN A2043 -7.979 14.260 3.333 1.00 2.14 N ATOM 502 CA ASN A2043 -7.465 13.906 4.646 1.00 73.22 C ATOM 503 C ASN A2043 -6.486 12.738 4.507 1.00 1.44 C ATOM 504 O ASN A2043 -6.738 11.648 5.016 1.00 22.35 O ATOM 505 CB ASN A2043 -8.595 13.467 5.580 1.00 41.53 C ATOM 506 CG ASN A2043 -9.342 14.679 6.140 1.00 24.10 C ATOM 507 OD1 ASN A2043 -9.131 15.811 5.739 1.00 32.40 O ATOM 508 ND2 ASN A2043 -10.226 14.377 7.086 1.00 71.41 N ATOM 0 HA ASN A2043 -6.973 14.784 5.064 1.00 73.22 H new ATOM 0 HB2 ASN A2043 -9.290 12.824 5.040 1.00 41.53 H new ATOM 0 HB3 ASN A2043 -8.186 12.876 6.400 1.00 41.53 H new ATOM 0 HD21 ASN A2043 -10.778 15.115 7.523 1.00 71.41 H new ATOM 0 HD22 ASN A2043 -10.353 13.407 7.375 1.00 71.41 H new ATOM 515 N VAL A2044 -5.387 13.008 3.816 1.00 25.12 N ATOM 516 CA VAL A2044 -4.369 11.992 3.605 1.00 62.31 C ATOM 517 C VAL A2044 -3.984 11.375 4.951 1.00 22.15 C ATOM 518 O VAL A2044 -3.473 10.257 5.002 1.00 22.42 O ATOM 519 CB VAL A2044 -3.175 12.595 2.860 1.00 72.00 C ATOM 520 CG1 VAL A2044 -1.989 11.630 2.854 1.00 4.12 C ATOM 521 CG2 VAL A2044 -3.565 12.998 1.436 1.00 52.30 C ATOM 0 H VAL A2044 -5.180 13.914 3.396 1.00 25.12 H new ATOM 0 HA VAL A2044 -4.755 11.189 2.978 1.00 62.31 H new ATOM 0 HB VAL A2044 -2.868 13.497 3.390 1.00 72.00 H new ATOM 0 HG11 VAL A2044 -1.154 12.083 2.319 1.00 4.12 H new ATOM 0 HG12 VAL A2044 -1.689 11.416 3.880 1.00 4.12 H new ATOM 0 HG13 VAL A2044 -2.277 10.702 2.359 1.00 4.12 H new ATOM 0 HG21 VAL A2044 -2.699 13.424 0.928 1.00 52.30 H new ATOM 0 HG22 VAL A2044 -3.910 12.119 0.891 1.00 52.30 H new ATOM 0 HG23 VAL A2044 -4.364 13.739 1.473 1.00 52.30 H new ATOM 531 N LYS A2045 -4.244 12.130 6.007 1.00 13.52 N ATOM 532 CA LYS A2045 -3.931 11.670 7.351 1.00 21.21 C ATOM 533 C LYS A2045 -4.526 10.276 7.559 1.00 34.44 C ATOM 534 O LYS A2045 -3.858 9.382 8.075 1.00 24.13 O ATOM 535 CB LYS A2045 -4.388 12.696 8.389 1.00 73.34 C ATOM 536 CG LYS A2045 -5.905 12.887 8.340 1.00 44.12 C ATOM 537 CD LYS A2045 -6.610 11.917 9.291 1.00 55.03 C ATOM 538 CE LYS A2045 -6.996 12.615 10.597 1.00 32.15 C ATOM 539 NZ LYS A2045 -6.187 12.093 11.721 1.00 1.32 N ATOM 0 H LYS A2045 -4.668 13.057 5.961 1.00 13.52 H new ATOM 0 HA LYS A2045 -2.853 11.579 7.482 1.00 21.21 H new ATOM 0 HB2 LYS A2045 -4.091 12.368 9.385 1.00 73.34 H new ATOM 0 HB3 LYS A2045 -3.892 13.649 8.206 1.00 73.34 H new ATOM 0 HG2 LYS A2045 -6.155 13.913 8.610 1.00 44.12 H new ATOM 0 HG3 LYS A2045 -6.263 12.729 7.323 1.00 44.12 H new ATOM 0 HD2 LYS A2045 -7.503 11.516 8.811 1.00 55.03 H new ATOM 0 HD3 LYS A2045 -5.956 11.072 9.505 1.00 55.03 H new ATOM 0 HE2 LYS A2045 -6.845 13.690 10.500 1.00 32.15 H new ATOM 0 HE3 LYS A2045 -8.055 12.459 10.800 1.00 32.15 H new ATOM 0 HZ1 LYS A2045 -6.461 12.577 12.600 1.00 1.32 H new ATOM 0 HZ2 LYS A2045 -6.352 11.071 11.822 1.00 1.32 H new ATOM 0 HZ3 LYS A2045 -5.179 12.264 11.532 1.00 1.32 H new ATOM 552 N GLY A2046 -5.779 10.135 7.148 1.00 0.24 N ATOM 553 CA GLY A2046 -6.473 8.867 7.285 1.00 72.50 C ATOM 554 C GLY A2046 -5.665 7.729 6.655 1.00 61.31 C ATOM 555 O GLY A2046 -5.385 6.726 7.309 1.00 62.45 O ATOM 0 H GLY A2046 -6.330 10.879 6.720 1.00 0.24 H new ATOM 0 HA2 GLY A2046 -6.645 8.655 8.340 1.00 72.50 H new ATOM 0 HA3 GLY A2046 -7.451 8.930 6.809 1.00 72.50 H new ATOM 559 N MET A2047 -5.313 7.925 5.394 1.00 22.24 N ATOM 560 CA MET A2047 -4.544 6.929 4.667 1.00 40.23 C ATOM 561 C MET A2047 -3.298 6.518 5.456 1.00 14.33 C ATOM 562 O MET A2047 -3.087 5.333 5.714 1.00 23.24 O ATOM 563 CB MET A2047 -4.123 7.498 3.310 1.00 70.33 C ATOM 564 CG MET A2047 -3.084 6.599 2.638 1.00 23.25 C ATOM 565 SD MET A2047 -1.446 7.042 3.190 1.00 4.13 S ATOM 566 CE MET A2047 -1.307 8.671 2.477 1.00 13.52 C ATOM 0 H MET A2047 -5.546 8.760 4.856 1.00 22.24 H new ATOM 0 HA MET A2047 -5.169 6.048 4.523 1.00 40.23 H new ATOM 0 HB2 MET A2047 -4.997 7.595 2.665 1.00 70.33 H new ATOM 0 HB3 MET A2047 -3.712 8.499 3.443 1.00 70.33 H new ATOM 0 HG2 MET A2047 -3.287 5.555 2.875 1.00 23.25 H new ATOM 0 HG3 MET A2047 -3.151 6.699 1.555 1.00 23.25 H new ATOM 0 HE1 MET A2047 -0.344 8.768 1.976 1.00 13.52 H new ATOM 0 HE2 MET A2047 -2.109 8.821 1.754 1.00 13.52 H new ATOM 0 HE3 MET A2047 -1.384 9.421 3.265 1.00 13.52 H new ATOM 576 N PHE A2048 -2.508 7.518 5.816 1.00 2.31 N ATOM 577 CA PHE A2048 -1.290 7.274 6.569 1.00 3.41 C ATOM 578 C PHE A2048 -1.563 6.381 7.782 1.00 32.54 C ATOM 579 O PHE A2048 -0.794 5.466 8.071 1.00 62.44 O ATOM 580 CB PHE A2048 -0.786 8.633 7.059 1.00 43.34 C ATOM 581 CG PHE A2048 0.040 9.399 6.023 1.00 74.11 C ATOM 582 CD1 PHE A2048 1.199 8.866 5.548 1.00 34.01 C ATOM 583 CD2 PHE A2048 -0.383 10.611 5.576 1.00 65.14 C ATOM 584 CE1 PHE A2048 1.966 9.577 4.587 1.00 34.03 C ATOM 585 CE2 PHE A2048 0.384 11.322 4.614 1.00 75.12 C ATOM 586 CZ PHE A2048 1.542 10.789 4.141 1.00 63.11 C ATOM 0 H PHE A2048 -2.687 8.499 5.600 1.00 2.31 H new ATOM 0 HA PHE A2048 -0.559 6.771 5.937 1.00 3.41 H new ATOM 0 HB2 PHE A2048 -1.641 9.243 7.350 1.00 43.34 H new ATOM 0 HB3 PHE A2048 -0.181 8.484 7.953 1.00 43.34 H new ATOM 0 HD1 PHE A2048 1.535 7.903 5.902 1.00 34.01 H new ATOM 0 HD2 PHE A2048 -1.303 11.034 5.952 1.00 65.14 H new ATOM 0 HE1 PHE A2048 2.886 9.155 4.211 1.00 34.03 H new ATOM 0 HE2 PHE A2048 0.047 12.285 4.259 1.00 75.12 H new ATOM 0 HZ PHE A2048 2.126 11.329 3.410 1.00 63.11 H new ATOM 596 N GLU A2049 -2.664 6.678 8.459 1.00 24.51 N ATOM 597 CA GLU A2049 -3.050 5.914 9.633 1.00 64.01 C ATOM 598 C GLU A2049 -3.660 4.574 9.216 1.00 3.42 C ATOM 599 O GLU A2049 -3.791 3.665 10.037 1.00 63.32 O ATOM 600 CB GLU A2049 -4.019 6.707 10.511 1.00 60.44 C ATOM 601 CG GLU A2049 -3.528 8.143 10.709 1.00 3.31 C ATOM 602 CD GLU A2049 -2.654 8.255 11.958 1.00 40.40 C ATOM 603 OE1 GLU A2049 -1.418 8.269 11.851 1.00 60.24 O ATOM 604 OE2 GLU A2049 -3.299 8.331 13.072 1.00 43.40 O ATOM 0 H GLU A2049 -3.300 7.437 8.216 1.00 24.51 H new ATOM 0 HA GLU A2049 -2.155 5.717 10.224 1.00 64.01 H new ATOM 0 HB2 GLU A2049 -5.007 6.717 10.051 1.00 60.44 H new ATOM 0 HB3 GLU A2049 -4.122 6.217 11.479 1.00 60.44 H new ATOM 0 HG2 GLU A2049 -2.961 8.461 9.834 1.00 3.31 H new ATOM 0 HG3 GLU A2049 -4.382 8.814 10.797 1.00 3.31 H new ATOM 612 N VAL A2050 -4.013 4.490 7.943 1.00 43.12 N ATOM 613 CA VAL A2050 -4.606 3.275 7.407 1.00 72.21 C ATOM 614 C VAL A2050 -3.492 2.308 6.996 1.00 32.01 C ATOM 615 O VAL A2050 -3.559 1.118 7.296 1.00 4.20 O ATOM 616 CB VAL A2050 -5.554 3.619 6.258 1.00 51.34 C ATOM 617 CG1 VAL A2050 -5.785 2.405 5.355 1.00 12.43 C ATOM 618 CG2 VAL A2050 -6.880 4.170 6.785 1.00 33.35 C ATOM 0 H VAL A2050 -3.900 5.244 7.265 1.00 43.12 H new ATOM 0 HA VAL A2050 -5.207 2.775 8.167 1.00 72.21 H new ATOM 0 HB VAL A2050 -5.083 4.398 5.659 1.00 51.34 H new ATOM 0 HG11 VAL A2050 -6.463 2.677 4.546 1.00 12.43 H new ATOM 0 HG12 VAL A2050 -4.834 2.077 4.936 1.00 12.43 H new ATOM 0 HG13 VAL A2050 -6.223 1.595 5.939 1.00 12.43 H new ATOM 0 HG21 VAL A2050 -7.535 4.406 5.946 1.00 33.35 H new ATOM 0 HG22 VAL A2050 -7.358 3.423 7.419 1.00 33.35 H new ATOM 0 HG23 VAL A2050 -6.694 5.074 7.365 1.00 33.35 H new ATOM 628 N LEU A2051 -2.497 2.857 6.317 1.00 33.21 N ATOM 629 CA LEU A2051 -1.372 2.058 5.862 1.00 64.35 C ATOM 630 C LEU A2051 -0.436 1.788 7.040 1.00 12.11 C ATOM 631 O LEU A2051 0.048 0.669 7.209 1.00 11.13 O ATOM 632 CB LEU A2051 -0.685 2.730 4.671 1.00 42.54 C ATOM 633 CG LEU A2051 -1.553 3.678 3.842 1.00 12.51 C ATOM 634 CD1 LEU A2051 -0.923 3.941 2.473 1.00 70.54 C ATOM 635 CD2 LEU A2051 -2.984 3.148 3.722 1.00 13.14 C ATOM 0 H LEU A2051 -2.446 3.845 6.071 1.00 33.21 H new ATOM 0 HA LEU A2051 -1.714 1.089 5.498 1.00 64.35 H new ATOM 0 HB2 LEU A2051 0.176 3.287 5.041 1.00 42.54 H new ATOM 0 HB3 LEU A2051 -0.301 1.951 4.012 1.00 42.54 H new ATOM 0 HG LEU A2051 -1.607 4.635 4.362 1.00 12.51 H new ATOM 0 HD11 LEU A2051 -1.560 4.618 1.903 1.00 70.54 H new ATOM 0 HD12 LEU A2051 0.060 4.393 2.606 1.00 70.54 H new ATOM 0 HD13 LEU A2051 -0.820 3.000 1.933 1.00 70.54 H new ATOM 0 HD21 LEU A2051 -3.580 3.841 3.128 1.00 13.14 H new ATOM 0 HD22 LEU A2051 -2.971 2.172 3.237 1.00 13.14 H new ATOM 0 HD23 LEU A2051 -3.421 3.053 4.716 1.00 13.14 H new ATOM 647 N GLU A2052 -0.207 2.830 7.826 1.00 63.01 N ATOM 648 CA GLU A2052 0.664 2.718 8.983 1.00 10.42 C ATOM 649 C GLU A2052 0.484 1.355 9.653 1.00 4.00 C ATOM 650 O GLU A2052 1.452 0.621 9.845 1.00 15.00 O ATOM 651 CB GLU A2052 0.406 3.854 9.975 1.00 70.43 C ATOM 652 CG GLU A2052 1.518 4.903 9.908 1.00 50.22 C ATOM 653 CD GLU A2052 2.477 4.763 11.092 1.00 24.40 C ATOM 654 OE1 GLU A2052 2.032 4.548 12.228 1.00 74.24 O ATOM 655 OE2 GLU A2052 3.727 4.883 10.797 1.00 62.33 O ATOM 0 H GLU A2052 -0.610 3.756 7.684 1.00 63.01 H new ATOM 0 HA GLU A2052 1.697 2.802 8.645 1.00 10.42 H new ATOM 0 HB2 GLU A2052 -0.554 4.322 9.756 1.00 70.43 H new ATOM 0 HB3 GLU A2052 0.341 3.451 10.986 1.00 70.43 H new ATOM 0 HG2 GLU A2052 2.069 4.794 8.974 1.00 50.22 H new ATOM 0 HG3 GLU A2052 1.081 5.902 9.906 1.00 50.22 H new ATOM 663 N PRO A2053 -0.796 1.048 9.997 1.00 35.32 N ATOM 664 CA PRO A2053 -1.116 -0.216 10.641 1.00 43.52 C ATOM 665 C PRO A2053 -1.071 -1.368 9.636 1.00 11.13 C ATOM 666 O PRO A2053 -0.404 -2.375 9.871 1.00 75.14 O ATOM 667 CB PRO A2053 -2.492 -0.008 11.250 1.00 23.32 C ATOM 668 CG PRO A2053 -3.089 1.192 10.534 1.00 4.31 C ATOM 669 CD PRO A2053 -1.968 1.891 9.784 1.00 63.22 C ATOM 0 HA PRO A2053 -0.395 -0.494 11.409 1.00 43.52 H new ATOM 0 HB2 PRO A2053 -3.116 -0.892 11.117 1.00 23.32 H new ATOM 0 HB3 PRO A2053 -2.421 0.173 12.323 1.00 23.32 H new ATOM 0 HG2 PRO A2053 -3.871 0.875 9.844 1.00 4.31 H new ATOM 0 HG3 PRO A2053 -3.552 1.872 11.249 1.00 4.31 H new ATOM 0 HD2 PRO A2053 -2.200 1.985 8.723 1.00 63.22 H new ATOM 0 HD3 PRO A2053 -1.805 2.899 10.165 1.00 63.22 H new ATOM 677 N LEU A2054 -1.792 -1.185 8.540 1.00 55.04 N ATOM 678 CA LEU A2054 -1.844 -2.197 7.501 1.00 40.02 C ATOM 679 C LEU A2054 -0.424 -2.660 7.173 1.00 64.23 C ATOM 680 O LEU A2054 -0.124 -3.851 7.239 1.00 35.22 O ATOM 681 CB LEU A2054 -2.618 -1.679 6.286 1.00 1.13 C ATOM 682 CG LEU A2054 -4.127 -1.926 6.297 1.00 44.14 C ATOM 683 CD1 LEU A2054 -4.614 -2.289 7.700 1.00 35.43 C ATOM 684 CD2 LEU A2054 -4.884 -0.730 5.717 1.00 52.44 C ATOM 0 H LEU A2054 -2.345 -0.350 8.349 1.00 55.04 H new ATOM 0 HA LEU A2054 -2.392 -3.072 7.850 1.00 40.02 H new ATOM 0 HB2 LEU A2054 -2.446 -0.606 6.201 1.00 1.13 H new ATOM 0 HB3 LEU A2054 -2.201 -2.140 5.391 1.00 1.13 H new ATOM 0 HG LEU A2054 -4.337 -2.781 5.654 1.00 44.14 H new ATOM 0 HD11 LEU A2054 -5.690 -2.459 7.679 1.00 35.43 H new ATOM 0 HD12 LEU A2054 -4.110 -3.195 8.037 1.00 35.43 H new ATOM 0 HD13 LEU A2054 -4.389 -1.472 8.386 1.00 35.43 H new ATOM 0 HD21 LEU A2054 -5.955 -0.933 5.737 1.00 52.44 H new ATOM 0 HD22 LEU A2054 -4.672 0.158 6.312 1.00 52.44 H new ATOM 0 HD23 LEU A2054 -4.566 -0.562 4.688 1.00 52.44 H new ATOM 696 N HIS A2055 0.414 -1.695 6.826 1.00 13.00 N ATOM 697 CA HIS A2055 1.797 -1.987 6.489 1.00 22.32 C ATOM 698 C HIS A2055 2.498 -2.614 7.696 1.00 22.14 C ATOM 699 O HIS A2055 3.103 -3.679 7.583 1.00 42.22 O ATOM 700 CB HIS A2055 2.509 -0.734 5.976 1.00 23.31 C ATOM 701 CG HIS A2055 2.082 -0.311 4.590 1.00 13.51 C ATOM 702 ND1 HIS A2055 1.995 1.016 4.206 1.00 70.12 N ATOM 703 CD2 HIS A2055 1.722 -1.052 3.503 1.00 44.31 C ATOM 704 CE1 HIS A2055 1.596 1.060 2.944 1.00 64.33 C ATOM 705 NE2 HIS A2055 1.429 -0.221 2.510 1.00 24.41 N ATOM 0 H HIS A2055 0.162 -0.708 6.771 1.00 13.00 H new ATOM 0 HA HIS A2055 1.830 -2.712 5.675 1.00 22.32 H new ATOM 0 HB2 HIS A2055 2.323 0.087 6.669 1.00 23.31 H new ATOM 0 HB3 HIS A2055 3.584 -0.914 5.975 1.00 23.31 H new ATOM 0 HD2 HIS A2055 1.682 -2.130 3.458 1.00 44.31 H new ATOM 0 HE1 HIS A2055 1.432 1.954 2.361 1.00 64.33 H new ATOM 0 HE2 HIS A2055 1.128 -0.496 1.575 1.00 24.41 H new ATOM 714 N ALA A2056 2.391 -1.929 8.824 1.00 71.31 N ATOM 715 CA ALA A2056 3.007 -2.406 10.051 1.00 72.42 C ATOM 716 C ALA A2056 2.597 -3.860 10.292 1.00 74.05 C ATOM 717 O ALA A2056 3.447 -4.723 10.496 1.00 1.23 O ATOM 718 CB ALA A2056 2.613 -1.489 11.210 1.00 30.34 C ATOM 0 H ALA A2056 1.887 -1.047 8.915 1.00 71.31 H new ATOM 0 HA ALA A2056 4.094 -2.380 9.970 1.00 72.42 H new ATOM 0 HB1 ALA A2056 3.075 -1.847 12.130 1.00 30.34 H new ATOM 0 HB2 ALA A2056 2.954 -0.475 11.003 1.00 30.34 H new ATOM 0 HB3 ALA A2056 1.529 -1.491 11.324 1.00 30.34 H new ATOM 724 N MET A2057 1.290 -4.085 10.258 1.00 62.22 N ATOM 725 CA MET A2057 0.756 -5.420 10.470 1.00 10.53 C ATOM 726 C MET A2057 1.469 -6.443 9.583 1.00 12.13 C ATOM 727 O MET A2057 1.737 -7.564 10.013 1.00 24.43 O ATOM 728 CB MET A2057 -0.741 -5.427 10.156 1.00 3.11 C ATOM 729 CG MET A2057 -1.073 -6.473 9.091 1.00 45.52 C ATOM 730 SD MET A2057 -2.842 -6.607 8.897 1.00 41.41 S ATOM 731 CE MET A2057 -2.938 -6.935 7.145 1.00 30.41 C ATOM 0 H MET A2057 0.587 -3.366 10.087 1.00 62.22 H new ATOM 0 HA MET A2057 0.919 -5.695 11.512 1.00 10.53 H new ATOM 0 HB2 MET A2057 -1.306 -5.636 11.065 1.00 3.11 H new ATOM 0 HB3 MET A2057 -1.048 -4.440 9.810 1.00 3.11 H new ATOM 0 HG2 MET A2057 -0.615 -6.195 8.142 1.00 45.52 H new ATOM 0 HG3 MET A2057 -0.656 -7.439 9.376 1.00 45.52 H new ATOM 0 HE1 MET A2057 -3.978 -7.100 6.862 1.00 30.41 H new ATOM 0 HE2 MET A2057 -2.542 -6.082 6.593 1.00 30.41 H new ATOM 0 HE3 MET A2057 -2.353 -7.824 6.909 1.00 30.41 H new ATOM 741 N MET A2058 1.757 -6.019 8.360 1.00 71.23 N ATOM 742 CA MET A2058 2.434 -6.885 7.409 1.00 33.33 C ATOM 743 C MET A2058 3.878 -7.148 7.839 1.00 24.14 C ATOM 744 O MET A2058 4.425 -8.217 7.569 1.00 71.53 O ATOM 745 CB MET A2058 2.422 -6.231 6.028 1.00 64.45 C ATOM 746 CG MET A2058 0.990 -6.061 5.512 1.00 54.32 C ATOM 747 SD MET A2058 0.623 -7.317 4.299 1.00 23.34 S ATOM 748 CE MET A2058 -1.059 -7.704 4.753 1.00 74.51 C ATOM 0 H MET A2058 1.534 -5.089 8.007 1.00 71.23 H new ATOM 0 HA MET A2058 1.907 -7.839 7.374 1.00 33.33 H new ATOM 0 HB2 MET A2058 2.912 -5.259 6.078 1.00 64.45 H new ATOM 0 HB3 MET A2058 2.994 -6.840 5.328 1.00 64.45 H new ATOM 0 HG2 MET A2058 0.286 -6.128 6.341 1.00 54.32 H new ATOM 0 HG3 MET A2058 0.869 -5.072 5.071 1.00 54.32 H new ATOM 0 HE1 MET A2058 -1.605 -8.040 3.872 1.00 74.51 H new ATOM 0 HE2 MET A2058 -1.061 -8.494 5.504 1.00 74.51 H new ATOM 0 HE3 MET A2058 -1.540 -6.815 5.160 1.00 74.51 H new ATOM 758 N GLU A2059 4.456 -6.154 8.498 1.00 21.03 N ATOM 759 CA GLU A2059 5.827 -6.265 8.967 1.00 43.24 C ATOM 760 C GLU A2059 5.888 -7.115 10.237 1.00 34.23 C ATOM 761 O GLU A2059 6.496 -8.184 10.245 1.00 43.32 O ATOM 762 CB GLU A2059 6.437 -4.882 9.203 1.00 31.02 C ATOM 763 CG GLU A2059 5.938 -3.876 8.164 1.00 50.13 C ATOM 764 CD GLU A2059 7.003 -2.819 7.867 1.00 24.02 C ATOM 765 OE1 GLU A2059 8.121 -3.165 7.457 1.00 0.31 O ATOM 766 OE2 GLU A2059 6.635 -1.601 8.074 1.00 45.22 O ATOM 0 H GLU A2059 4.000 -5.269 8.718 1.00 21.03 H new ATOM 0 HA GLU A2059 6.416 -6.760 8.195 1.00 43.24 H new ATOM 0 HB2 GLU A2059 6.180 -4.534 10.204 1.00 31.02 H new ATOM 0 HB3 GLU A2059 7.524 -4.948 9.157 1.00 31.02 H new ATOM 0 HG2 GLU A2059 5.673 -4.399 7.245 1.00 50.13 H new ATOM 0 HG3 GLU A2059 5.032 -3.392 8.528 1.00 50.13 H new ATOM 774 N ARG A2060 5.247 -6.610 11.281 1.00 41.13 N ATOM 775 CA ARG A2060 5.220 -7.308 12.554 1.00 14.44 C ATOM 776 C ARG A2060 4.324 -8.544 12.461 1.00 11.13 C ATOM 777 O ARG A2060 4.388 -9.428 13.315 1.00 33.33 O ATOM 778 CB ARG A2060 4.707 -6.399 13.672 1.00 12.41 C ATOM 779 CG ARG A2060 3.253 -5.993 13.424 1.00 52.34 C ATOM 780 CD ARG A2060 2.727 -5.116 14.562 1.00 12.23 C ATOM 781 NE ARG A2060 1.596 -5.790 15.238 1.00 63.32 N ATOM 782 CZ ARG A2060 1.737 -6.691 16.233 1.00 53.21 C ATOM 783 NH1 ARG A2060 2.965 -7.035 16.679 1.00 71.43 N ATOM 784 NH2 ARG A2060 0.657 -7.232 16.765 1.00 14.01 N ATOM 0 H ARG A2060 4.742 -5.724 11.270 1.00 41.13 H new ATOM 0 HA ARG A2060 6.241 -7.610 12.788 1.00 14.44 H new ATOM 0 HB2 ARG A2060 4.786 -6.914 14.629 1.00 12.41 H new ATOM 0 HB3 ARG A2060 5.331 -5.508 13.736 1.00 12.41 H new ATOM 0 HG2 ARG A2060 3.178 -5.453 12.480 1.00 52.34 H new ATOM 0 HG3 ARG A2060 2.633 -6.885 13.331 1.00 52.34 H new ATOM 0 HD2 ARG A2060 3.524 -4.918 15.278 1.00 12.23 H new ATOM 0 HD3 ARG A2060 2.405 -4.151 14.170 1.00 12.23 H new ATOM 0 HE ARG A2060 0.651 -5.559 14.933 1.00 63.32 H new ATOM 0 HH11 ARG A2060 3.795 -6.613 16.263 1.00 71.43 H new ATOM 0 HH12 ARG A2060 3.062 -7.717 17.431 1.00 71.43 H new ATOM 0 HH21 ARG A2060 -0.267 -6.968 16.423 1.00 14.01 H new ATOM 0 HH22 ARG A2060 0.746 -7.915 17.518 1.00 14.01 H new ATOM 796 N GLY A2061 3.510 -8.569 11.417 1.00 24.45 N ATOM 797 CA GLY A2061 2.603 -9.683 11.200 1.00 62.41 C ATOM 798 C GLY A2061 2.871 -10.356 9.853 1.00 21.13 C ATOM 799 O GLY A2061 2.110 -10.179 8.902 1.00 13.22 O ATOM 0 H GLY A2061 3.459 -7.835 10.711 1.00 24.45 H new ATOM 0 HA2 GLY A2061 2.717 -10.411 12.003 1.00 62.41 H new ATOM 0 HA3 GLY A2061 1.573 -9.329 11.235 1.00 62.41 H new ATOM 803 N PRO A2062 3.985 -11.137 9.813 1.00 64.15 N ATOM 804 CA PRO A2062 4.364 -11.837 8.597 1.00 33.14 C ATOM 805 C PRO A2062 3.463 -13.052 8.362 1.00 71.44 C ATOM 806 O PRO A2062 2.378 -13.144 8.933 1.00 34.50 O ATOM 807 CB PRO A2062 5.823 -12.212 8.797 1.00 73.23 C ATOM 808 CG PRO A2062 6.076 -12.120 10.293 1.00 74.31 C ATOM 809 CD PRO A2062 4.909 -11.370 10.917 1.00 30.02 C ATOM 0 HA PRO A2062 4.243 -11.224 7.704 1.00 33.14 H new ATOM 0 HB2 PRO A2062 6.022 -13.218 8.429 1.00 73.23 H new ATOM 0 HB3 PRO A2062 6.479 -11.536 8.248 1.00 73.23 H new ATOM 0 HG2 PRO A2062 6.166 -13.116 10.727 1.00 74.31 H new ATOM 0 HG3 PRO A2062 7.014 -11.600 10.491 1.00 74.31 H new ATOM 0 HD2 PRO A2062 4.441 -11.955 11.709 1.00 30.02 H new ATOM 0 HD3 PRO A2062 5.236 -10.431 11.365 1.00 30.02 H new ATOM 817 N GLN A2063 3.945 -13.952 7.519 1.00 65.32 N ATOM 818 CA GLN A2063 3.198 -15.157 7.198 1.00 12.14 C ATOM 819 C GLN A2063 4.138 -16.361 7.126 1.00 12.24 C ATOM 820 O GLN A2063 4.255 -17.120 8.088 1.00 13.23 O ATOM 821 CB GLN A2063 2.420 -14.988 5.892 1.00 71.52 C ATOM 822 CG GLN A2063 0.911 -15.068 6.137 1.00 51.33 C ATOM 823 CD GLN A2063 0.249 -13.705 5.923 1.00 64.32 C ATOM 824 OE1 GLN A2063 0.254 -12.841 6.784 1.00 25.21 O ATOM 825 NE2 GLN A2063 -0.320 -13.563 4.729 1.00 42.24 N ATOM 0 H GLN A2063 4.846 -13.871 7.047 1.00 65.32 H new ATOM 0 HA GLN A2063 2.474 -15.335 7.993 1.00 12.14 H new ATOM 0 HB2 GLN A2063 2.668 -14.028 5.439 1.00 71.52 H new ATOM 0 HB3 GLN A2063 2.718 -15.761 5.184 1.00 71.52 H new ATOM 0 HG2 GLN A2063 0.468 -15.802 5.464 1.00 51.33 H new ATOM 0 HG3 GLN A2063 0.722 -15.413 7.153 1.00 51.33 H new ATOM 0 HE21 GLN A2063 -0.287 -14.327 4.054 1.00 42.24 H new ATOM 0 HE22 GLN A2063 -0.789 -12.690 4.488 1.00 42.24 H new ATOM 834 N THR A2064 4.784 -16.499 5.978 1.00 32.41 N ATOM 835 CA THR A2064 5.708 -17.600 5.767 1.00 51.53 C ATOM 836 C THR A2064 6.701 -17.255 4.656 1.00 44.01 C ATOM 837 O THR A2064 6.732 -16.125 4.173 1.00 63.05 O ATOM 838 CB THR A2064 4.889 -18.859 5.482 1.00 62.22 C ATOM 839 OG1 THR A2064 3.800 -18.393 4.690 1.00 10.54 O ATOM 840 CG2 THR A2064 4.222 -19.422 6.740 1.00 44.34 C ATOM 0 H THR A2064 4.686 -15.866 5.184 1.00 32.41 H new ATOM 0 HA THR A2064 6.312 -17.785 6.655 1.00 51.53 H new ATOM 0 HB THR A2064 5.534 -19.620 5.043 1.00 62.22 H new ATOM 0 HG1 THR A2064 3.218 -19.147 4.458 1.00 10.54 H new ATOM 0 HG21 THR A2064 3.653 -20.315 6.482 1.00 44.34 H new ATOM 0 HG22 THR A2064 4.986 -19.678 7.473 1.00 44.34 H new ATOM 0 HG23 THR A2064 3.551 -18.674 7.162 1.00 44.34 H new ATOM 848 N LEU A2065 7.491 -18.251 4.282 1.00 23.32 N ATOM 849 CA LEU A2065 8.483 -18.070 3.236 1.00 33.04 C ATOM 850 C LEU A2065 7.773 -17.887 1.893 1.00 41.25 C ATOM 851 O LEU A2065 8.293 -17.225 0.997 1.00 54.54 O ATOM 852 CB LEU A2065 9.491 -19.220 3.247 1.00 0.04 C ATOM 853 CG LEU A2065 10.965 -18.818 3.335 1.00 31.13 C ATOM 854 CD1 LEU A2065 11.316 -17.777 2.271 1.00 33.45 C ATOM 855 CD2 LEU A2065 11.318 -18.340 4.745 1.00 40.30 C ATOM 0 H LEU A2065 7.464 -19.187 4.686 1.00 23.32 H new ATOM 0 HA LEU A2065 9.065 -17.166 3.416 1.00 33.04 H new ATOM 0 HB2 LEU A2065 9.261 -19.871 4.091 1.00 0.04 H new ATOM 0 HB3 LEU A2065 9.349 -19.810 2.342 1.00 0.04 H new ATOM 0 HG LEU A2065 11.572 -19.700 3.132 1.00 31.13 H new ATOM 0 HD11 LEU A2065 12.369 -17.510 2.357 1.00 33.45 H new ATOM 0 HD12 LEU A2065 11.126 -18.191 1.281 1.00 33.45 H new ATOM 0 HD13 LEU A2065 10.703 -16.887 2.416 1.00 33.45 H new ATOM 0 HD21 LEU A2065 12.371 -18.060 4.781 1.00 40.30 H new ATOM 0 HD22 LEU A2065 10.704 -17.477 5.001 1.00 40.30 H new ATOM 0 HD23 LEU A2065 11.131 -19.142 5.459 1.00 40.30 H new ATOM 867 N LYS A2066 6.596 -18.487 1.795 1.00 52.01 N ATOM 868 CA LYS A2066 5.810 -18.400 0.576 1.00 50.32 C ATOM 869 C LYS A2066 5.288 -16.970 0.413 1.00 62.13 C ATOM 870 O LYS A2066 5.211 -16.457 -0.704 1.00 13.24 O ATOM 871 CB LYS A2066 4.708 -19.460 0.570 1.00 33.24 C ATOM 872 CG LYS A2066 3.919 -19.426 -0.740 1.00 71.42 C ATOM 873 CD LYS A2066 2.843 -18.341 -0.704 1.00 74.31 C ATOM 874 CE LYS A2066 1.444 -18.951 -0.821 1.00 41.15 C ATOM 875 NZ LYS A2066 0.424 -17.888 -0.962 1.00 44.32 N ATOM 0 H LYS A2066 6.167 -19.036 2.540 1.00 52.01 H new ATOM 0 HA LYS A2066 6.431 -18.616 -0.293 1.00 50.32 H new ATOM 0 HB2 LYS A2066 5.148 -20.448 0.708 1.00 33.24 H new ATOM 0 HB3 LYS A2066 4.033 -19.292 1.409 1.00 33.24 H new ATOM 0 HG2 LYS A2066 4.598 -19.242 -1.573 1.00 71.42 H new ATOM 0 HG3 LYS A2066 3.456 -20.397 -0.915 1.00 71.42 H new ATOM 0 HD2 LYS A2066 2.921 -17.777 0.226 1.00 74.31 H new ATOM 0 HD3 LYS A2066 3.005 -17.636 -1.519 1.00 74.31 H new ATOM 0 HE2 LYS A2066 1.403 -19.619 -1.682 1.00 41.15 H new ATOM 0 HE3 LYS A2066 1.229 -19.554 0.061 1.00 41.15 H new ATOM 0 HZ1 LYS A2066 -0.519 -18.320 -1.040 1.00 44.32 H new ATOM 0 HZ2 LYS A2066 0.452 -17.267 -0.128 1.00 44.32 H new ATOM 0 HZ3 LYS A2066 0.621 -17.329 -1.817 1.00 44.32 H new ATOM 888 N GLU A2067 4.944 -16.368 1.541 1.00 13.21 N ATOM 889 CA GLU A2067 4.431 -15.008 1.538 1.00 40.42 C ATOM 890 C GLU A2067 5.588 -14.005 1.507 1.00 12.23 C ATOM 891 O GLU A2067 5.405 -12.852 1.119 1.00 64.31 O ATOM 892 CB GLU A2067 3.523 -14.760 2.742 1.00 21.15 C ATOM 893 CG GLU A2067 2.048 -14.820 2.339 1.00 41.51 C ATOM 894 CD GLU A2067 1.733 -13.786 1.258 1.00 74.32 C ATOM 895 OE1 GLU A2067 1.634 -14.137 0.073 1.00 32.22 O ATOM 896 OE2 GLU A2067 1.589 -12.576 1.686 1.00 43.15 O ATOM 0 H GLU A2067 5.010 -16.797 2.464 1.00 13.21 H new ATOM 0 HA GLU A2067 3.830 -14.870 0.639 1.00 40.42 H new ATOM 0 HB2 GLU A2067 3.724 -15.504 3.513 1.00 21.15 H new ATOM 0 HB3 GLU A2067 3.746 -13.785 3.175 1.00 21.15 H new ATOM 0 HG2 GLU A2067 1.808 -15.818 1.973 1.00 41.51 H new ATOM 0 HG3 GLU A2067 1.421 -14.641 3.212 1.00 41.51 H new ATOM 904 N THR A2068 6.752 -14.480 1.924 1.00 3.42 N ATOM 905 CA THR A2068 7.938 -13.640 1.950 1.00 31.44 C ATOM 906 C THR A2068 8.181 -13.020 0.574 1.00 43.51 C ATOM 907 O THR A2068 8.779 -11.950 0.468 1.00 13.23 O ATOM 908 CB THR A2068 9.107 -14.489 2.452 1.00 44.14 C ATOM 909 OG1 THR A2068 8.891 -14.584 3.857 1.00 32.20 O ATOM 910 CG2 THR A2068 10.450 -13.766 2.329 1.00 1.34 C ATOM 0 H THR A2068 6.900 -15.436 2.247 1.00 3.42 H new ATOM 0 HA THR A2068 7.814 -12.799 2.632 1.00 31.44 H new ATOM 0 HB THR A2068 9.144 -15.423 1.891 1.00 44.14 H new ATOM 0 HG1 THR A2068 7.964 -14.852 4.028 1.00 32.20 H new ATOM 0 HG21 THR A2068 11.246 -14.412 2.699 1.00 1.34 H new ATOM 0 HG22 THR A2068 10.637 -13.522 1.283 1.00 1.34 H new ATOM 0 HG23 THR A2068 10.425 -12.849 2.917 1.00 1.34 H new ATOM 918 N SER A2069 7.709 -13.720 -0.446 1.00 64.11 N ATOM 919 CA SER A2069 7.869 -13.252 -1.813 1.00 61.51 C ATOM 920 C SER A2069 7.012 -12.006 -2.042 1.00 44.34 C ATOM 921 O SER A2069 7.431 -11.078 -2.734 1.00 50.02 O ATOM 922 CB SER A2069 7.496 -14.345 -2.817 1.00 44.42 C ATOM 923 OG SER A2069 7.967 -14.048 -4.129 1.00 51.45 O ATOM 0 H SER A2069 7.215 -14.608 -0.354 1.00 64.11 H new ATOM 0 HA SER A2069 8.918 -12.998 -1.967 1.00 61.51 H new ATOM 0 HB2 SER A2069 7.914 -15.297 -2.489 1.00 44.42 H new ATOM 0 HB3 SER A2069 6.413 -14.463 -2.839 1.00 44.42 H new ATOM 0 HG SER A2069 7.710 -14.770 -4.740 1.00 51.45 H new ATOM 929 N PHE A2070 5.827 -12.023 -1.452 1.00 55.00 N ATOM 930 CA PHE A2070 4.908 -10.907 -1.583 1.00 73.20 C ATOM 931 C PHE A2070 5.455 -9.660 -0.885 1.00 5.22 C ATOM 932 O PHE A2070 5.542 -8.593 -1.491 1.00 22.30 O ATOM 933 CB PHE A2070 3.599 -11.322 -0.905 1.00 20.13 C ATOM 934 CG PHE A2070 2.549 -10.211 -0.847 1.00 52.35 C ATOM 935 CD1 PHE A2070 2.689 -9.190 0.040 1.00 45.10 C ATOM 936 CD2 PHE A2070 1.476 -10.244 -1.680 1.00 43.21 C ATOM 937 CE1 PHE A2070 1.714 -8.157 0.095 1.00 23.13 C ATOM 938 CE2 PHE A2070 0.501 -9.213 -1.626 1.00 40.14 C ATOM 939 CZ PHE A2070 0.641 -8.192 -0.739 1.00 32.01 C ATOM 0 H PHE A2070 5.482 -12.794 -0.881 1.00 55.00 H new ATOM 0 HA PHE A2070 4.763 -10.668 -2.636 1.00 73.20 H new ATOM 0 HB2 PHE A2070 3.181 -12.176 -1.438 1.00 20.13 H new ATOM 0 HB3 PHE A2070 3.817 -11.655 0.110 1.00 20.13 H new ATOM 0 HD1 PHE A2070 3.541 -9.164 0.703 1.00 45.10 H new ATOM 0 HD2 PHE A2070 1.365 -11.055 -2.384 1.00 43.21 H new ATOM 0 HE1 PHE A2070 1.826 -7.345 0.799 1.00 23.13 H new ATOM 0 HE2 PHE A2070 -0.351 -9.240 -2.289 1.00 40.14 H new ATOM 0 HZ PHE A2070 -0.101 -7.408 -0.697 1.00 32.01 H new ATOM 949 N ASN A2071 5.810 -9.837 0.379 1.00 3.43 N ATOM 950 CA ASN A2071 6.348 -8.739 1.165 1.00 2.53 C ATOM 951 C ASN A2071 7.614 -8.204 0.489 1.00 62.32 C ATOM 952 O ASN A2071 7.924 -7.018 0.595 1.00 4.31 O ATOM 953 CB ASN A2071 6.727 -9.204 2.573 1.00 43.02 C ATOM 954 CG ASN A2071 6.087 -8.307 3.636 1.00 30.52 C ATOM 955 OD1 ASN A2071 5.790 -7.147 3.408 1.00 31.40 O ATOM 956 ND2 ASN A2071 5.895 -8.910 4.806 1.00 21.21 N ATOM 0 H ASN A2071 5.736 -10.723 0.878 1.00 3.43 H new ATOM 0 HA ASN A2071 5.582 -7.967 1.233 1.00 2.53 H new ATOM 0 HB2 ASN A2071 6.404 -10.235 2.719 1.00 43.02 H new ATOM 0 HB3 ASN A2071 7.811 -9.191 2.685 1.00 43.02 H new ATOM 0 HD21 ASN A2071 5.475 -8.397 5.581 1.00 21.21 H new ATOM 0 HD22 ASN A2071 6.168 -9.885 4.928 1.00 21.21 H new ATOM 963 N GLN A2072 8.308 -9.105 -0.191 1.00 25.22 N ATOM 964 CA GLN A2072 9.531 -8.738 -0.885 1.00 12.42 C ATOM 965 C GLN A2072 9.204 -8.052 -2.212 1.00 33.23 C ATOM 966 O GLN A2072 9.859 -7.084 -2.594 1.00 3.20 O ATOM 967 CB GLN A2072 10.424 -9.961 -1.104 1.00 1.24 C ATOM 968 CG GLN A2072 11.379 -10.161 0.075 1.00 64.04 C ATOM 969 CD GLN A2072 12.581 -9.218 -0.026 1.00 24.42 C ATOM 970 OE1 GLN A2072 12.573 -8.237 -0.752 1.00 13.21 O ATOM 971 NE2 GLN A2072 13.609 -9.570 0.739 1.00 3.35 N ATOM 0 H GLN A2072 8.047 -10.087 -0.276 1.00 25.22 H new ATOM 0 HA GLN A2072 10.082 -8.033 -0.262 1.00 12.42 H new ATOM 0 HB2 GLN A2072 9.805 -10.850 -1.230 1.00 1.24 H new ATOM 0 HB3 GLN A2072 10.996 -9.838 -2.023 1.00 1.24 H new ATOM 0 HG2 GLN A2072 10.850 -9.982 1.011 1.00 64.04 H new ATOM 0 HG3 GLN A2072 11.724 -11.195 0.097 1.00 64.04 H new ATOM 0 HE21 GLN A2072 13.548 -10.404 1.323 1.00 3.35 H new ATOM 0 HE22 GLN A2072 14.459 -9.006 0.742 1.00 3.35 H new ATOM 980 N ALA A2073 8.190 -8.581 -2.881 1.00 22.54 N ATOM 981 CA ALA A2073 7.766 -8.032 -4.158 1.00 1.00 C ATOM 982 C ALA A2073 7.513 -6.532 -4.004 1.00 51.13 C ATOM 983 O ALA A2073 7.776 -5.757 -4.923 1.00 74.44 O ATOM 984 CB ALA A2073 6.530 -8.785 -4.653 1.00 3.30 C ATOM 0 H ALA A2073 7.649 -9.385 -2.562 1.00 22.54 H new ATOM 0 HA ALA A2073 8.546 -8.159 -4.909 1.00 1.00 H new ATOM 0 HB1 ALA A2073 6.212 -8.373 -5.611 1.00 3.30 H new ATOM 0 HB2 ALA A2073 6.772 -9.841 -4.774 1.00 3.30 H new ATOM 0 HB3 ALA A2073 5.724 -8.678 -3.927 1.00 3.30 H new ATOM 990 N TYR A2074 7.007 -6.166 -2.835 1.00 64.23 N ATOM 991 CA TYR A2074 6.714 -4.771 -2.551 1.00 52.42 C ATOM 992 C TYR A2074 7.709 -4.200 -1.538 1.00 2.22 C ATOM 993 O TYR A2074 7.833 -2.982 -1.404 1.00 41.51 O ATOM 994 CB TYR A2074 5.314 -4.750 -1.937 1.00 10.05 C ATOM 995 CG TYR A2074 4.231 -5.350 -2.838 1.00 71.11 C ATOM 996 CD1 TYR A2074 3.949 -4.769 -4.057 1.00 50.03 C ATOM 997 CD2 TYR A2074 3.538 -6.473 -2.432 1.00 74.20 C ATOM 998 CE1 TYR A2074 2.931 -5.333 -4.906 1.00 55.11 C ATOM 999 CE2 TYR A2074 2.520 -7.036 -3.280 1.00 21.21 C ATOM 1000 CZ TYR A2074 2.266 -6.439 -4.475 1.00 4.21 C ATOM 1001 OH TYR A2074 1.305 -6.970 -5.275 1.00 62.30 O ATOM 0 H TYR A2074 6.793 -6.811 -2.074 1.00 64.23 H new ATOM 0 HA TYR A2074 6.781 -4.172 -3.459 1.00 52.42 H new ATOM 0 HB2 TYR A2074 5.333 -5.298 -0.995 1.00 10.05 H new ATOM 0 HB3 TYR A2074 5.047 -3.720 -1.701 1.00 10.05 H new ATOM 0 HD1 TYR A2074 4.492 -3.891 -4.375 1.00 50.03 H new ATOM 0 HD2 TYR A2074 3.760 -6.929 -1.478 1.00 74.20 H new ATOM 0 HE1 TYR A2074 2.701 -4.888 -5.863 1.00 55.11 H new ATOM 0 HE2 TYR A2074 1.970 -7.914 -2.974 1.00 21.21 H new ATOM 0 HH TYR A2074 1.253 -7.937 -5.126 1.00 62.30 H new ATOM 1011 N GLY A2075 8.392 -5.104 -0.851 1.00 43.24 N ATOM 1012 CA GLY A2075 9.373 -4.704 0.144 1.00 33.15 C ATOM 1013 C GLY A2075 10.110 -3.437 -0.290 1.00 31.44 C ATOM 1014 O GLY A2075 10.266 -2.505 0.498 1.00 42.05 O ATOM 0 H GLY A2075 8.286 -6.112 -0.964 1.00 43.24 H new ATOM 0 HA2 GLY A2075 8.877 -4.531 1.099 1.00 33.15 H new ATOM 0 HA3 GLY A2075 10.090 -5.511 0.298 1.00 33.15 H new ATOM 1018 N ARG A2076 10.543 -3.444 -1.542 1.00 11.41 N ATOM 1019 CA ARG A2076 11.262 -2.305 -2.091 1.00 33.22 C ATOM 1020 C ARG A2076 10.280 -1.202 -2.495 1.00 1.32 C ATOM 1021 O ARG A2076 10.553 -0.020 -2.295 1.00 52.22 O ATOM 1022 CB ARG A2076 12.090 -2.712 -3.311 1.00 32.04 C ATOM 1023 CG ARG A2076 13.585 -2.512 -3.051 1.00 12.02 C ATOM 1024 CD ARG A2076 13.853 -1.140 -2.426 1.00 41.15 C ATOM 1025 NE ARG A2076 15.010 -0.499 -3.092 1.00 31.10 N ATOM 1026 CZ ARG A2076 15.011 -0.088 -4.377 1.00 64.30 C ATOM 1027 NH1 ARG A2076 13.915 -0.248 -5.149 1.00 22.55 N ATOM 1028 NH2 ARG A2076 16.099 0.472 -4.871 1.00 13.30 N ATOM 0 H ARG A2076 10.410 -4.219 -2.192 1.00 11.41 H new ATOM 0 HA ARG A2076 11.934 -1.933 -1.318 1.00 33.22 H new ATOM 0 HB2 ARG A2076 11.896 -3.757 -3.554 1.00 32.04 H new ATOM 0 HB3 ARG A2076 11.785 -2.122 -4.175 1.00 32.04 H new ATOM 0 HG2 ARG A2076 13.951 -3.296 -2.388 1.00 12.02 H new ATOM 0 HG3 ARG A2076 14.136 -2.604 -3.987 1.00 12.02 H new ATOM 0 HD2 ARG A2076 12.970 -0.508 -2.523 1.00 41.15 H new ATOM 0 HD3 ARG A2076 14.051 -1.249 -1.360 1.00 41.15 H new ATOM 0 HE ARG A2076 15.859 -0.359 -2.545 1.00 31.10 H new ATOM 0 HH11 ARG A2076 13.077 -0.683 -4.762 1.00 22.55 H new ATOM 0 HH12 ARG A2076 13.925 0.066 -6.120 1.00 22.55 H new ATOM 0 HH21 ARG A2076 16.924 0.589 -4.283 1.00 13.30 H new ATOM 0 HH22 ARG A2076 16.115 0.788 -5.841 1.00 13.30 H new ATOM 1040 N ASP A2077 9.159 -1.630 -3.055 1.00 32.21 N ATOM 1041 CA ASP A2077 8.134 -0.694 -3.488 1.00 44.25 C ATOM 1042 C ASP A2077 7.678 0.144 -2.292 1.00 64.24 C ATOM 1043 O ASP A2077 7.798 1.368 -2.307 1.00 53.34 O ATOM 1044 CB ASP A2077 6.915 -1.431 -4.045 1.00 14.13 C ATOM 1045 CG ASP A2077 7.129 -2.106 -5.400 1.00 62.24 C ATOM 1046 OD1 ASP A2077 7.316 -3.329 -5.482 1.00 2.23 O ATOM 1047 OD2 ASP A2077 7.098 -1.312 -6.415 1.00 71.41 O ATOM 0 H ASP A2077 8.937 -2.612 -3.219 1.00 32.21 H new ATOM 0 HA ASP A2077 8.560 -0.063 -4.269 1.00 44.25 H new ATOM 0 HB2 ASP A2077 6.607 -2.188 -3.324 1.00 14.13 H new ATOM 0 HB3 ASP A2077 6.091 -0.723 -4.135 1.00 14.13 H new ATOM 1053 N LEU A2078 7.161 -0.549 -1.289 1.00 54.25 N ATOM 1054 CA LEU A2078 6.686 0.118 -0.087 1.00 73.35 C ATOM 1055 C LEU A2078 7.789 1.025 0.459 1.00 55.43 C ATOM 1056 O LEU A2078 7.517 2.132 0.918 1.00 72.10 O ATOM 1057 CB LEU A2078 6.172 -0.908 0.926 1.00 44.45 C ATOM 1058 CG LEU A2078 4.911 -1.674 0.525 1.00 15.23 C ATOM 1059 CD1 LEU A2078 4.338 -2.446 1.715 1.00 70.31 C ATOM 1060 CD2 LEU A2078 3.876 -0.738 -0.102 1.00 40.54 C ATOM 0 H LEU A2078 7.060 -1.564 -1.283 1.00 54.25 H new ATOM 0 HA LEU A2078 5.834 0.758 -0.317 1.00 73.35 H new ATOM 0 HB2 LEU A2078 6.966 -1.630 1.117 1.00 44.45 H new ATOM 0 HB3 LEU A2078 5.977 -0.393 1.867 1.00 44.45 H new ATOM 0 HG LEU A2078 5.184 -2.407 -0.234 1.00 15.23 H new ATOM 0 HD11 LEU A2078 3.442 -2.982 1.403 1.00 70.31 H new ATOM 0 HD12 LEU A2078 5.079 -3.158 2.078 1.00 70.31 H new ATOM 0 HD13 LEU A2078 4.084 -1.748 2.513 1.00 70.31 H new ATOM 0 HD21 LEU A2078 2.989 -1.309 -0.378 1.00 40.54 H new ATOM 0 HD22 LEU A2078 3.601 0.034 0.616 1.00 40.54 H new ATOM 0 HD23 LEU A2078 4.299 -0.272 -0.992 1.00 40.54 H new ATOM 1072 N MET A2079 9.012 0.520 0.393 1.00 71.04 N ATOM 1073 CA MET A2079 10.159 1.272 0.875 1.00 30.32 C ATOM 1074 C MET A2079 10.248 2.637 0.191 1.00 41.33 C ATOM 1075 O MET A2079 10.467 3.653 0.849 1.00 63.23 O ATOM 1076 CB MET A2079 11.439 0.480 0.604 1.00 34.24 C ATOM 1077 CG MET A2079 11.849 -0.338 1.833 1.00 1.13 C ATOM 1078 SD MET A2079 12.489 0.744 3.098 1.00 43.21 S ATOM 1079 CE MET A2079 12.654 -0.417 4.445 1.00 23.32 C ATOM 0 H MET A2079 9.234 -0.400 0.013 1.00 71.04 H new ATOM 0 HA MET A2079 10.040 1.432 1.947 1.00 30.32 H new ATOM 0 HB2 MET A2079 11.286 -0.185 -0.246 1.00 34.24 H new ATOM 0 HB3 MET A2079 12.243 1.164 0.333 1.00 34.24 H new ATOM 0 HG2 MET A2079 10.991 -0.891 2.215 1.00 1.13 H new ATOM 0 HG3 MET A2079 12.604 -1.074 1.556 1.00 1.13 H new ATOM 0 HE1 MET A2079 13.045 0.097 5.323 1.00 23.32 H new ATOM 0 HE2 MET A2079 11.679 -0.844 4.679 1.00 23.32 H new ATOM 0 HE3 MET A2079 13.339 -1.214 4.156 1.00 23.32 H new ATOM 1089 N GLU A2080 10.077 2.616 -1.124 1.00 20.54 N ATOM 1090 CA GLU A2080 10.134 3.839 -1.905 1.00 34.10 C ATOM 1091 C GLU A2080 8.963 4.756 -1.546 1.00 43.03 C ATOM 1092 O GLU A2080 9.167 5.873 -1.072 1.00 74.12 O ATOM 1093 CB GLU A2080 10.150 3.532 -3.405 1.00 21.44 C ATOM 1094 CG GLU A2080 10.363 4.807 -4.223 1.00 42.52 C ATOM 1095 CD GLU A2080 10.929 4.481 -5.607 1.00 62.32 C ATOM 1096 OE1 GLU A2080 10.482 3.517 -6.247 1.00 41.25 O ATOM 1097 OE2 GLU A2080 11.864 5.270 -6.014 1.00 42.45 O ATOM 0 H GLU A2080 9.899 1.771 -1.667 1.00 20.54 H new ATOM 0 HA GLU A2080 11.062 4.357 -1.663 1.00 34.10 H new ATOM 0 HB2 GLU A2080 10.943 2.818 -3.625 1.00 21.44 H new ATOM 0 HB3 GLU A2080 9.209 3.063 -3.694 1.00 21.44 H new ATOM 0 HG2 GLU A2080 9.417 5.338 -4.329 1.00 42.52 H new ATOM 0 HG3 GLU A2080 11.045 5.473 -3.695 1.00 42.52 H new ATOM 1105 N ALA A2081 7.762 4.248 -1.787 1.00 54.13 N ATOM 1106 CA ALA A2081 6.558 5.008 -1.494 1.00 20.30 C ATOM 1107 C ALA A2081 6.601 5.486 -0.042 1.00 12.53 C ATOM 1108 O ALA A2081 6.246 6.628 0.251 1.00 12.24 O ATOM 1109 CB ALA A2081 5.328 4.148 -1.788 1.00 23.02 C ATOM 0 H ALA A2081 7.597 3.322 -2.181 1.00 54.13 H new ATOM 0 HA ALA A2081 6.498 5.892 -2.130 1.00 20.30 H new ATOM 0 HB1 ALA A2081 4.425 4.718 -1.568 1.00 23.02 H new ATOM 0 HB2 ALA A2081 5.329 3.860 -2.839 1.00 23.02 H new ATOM 0 HB3 ALA A2081 5.353 3.253 -1.166 1.00 23.02 H new ATOM 1115 N GLN A2082 7.039 4.589 0.830 1.00 40.23 N ATOM 1116 CA GLN A2082 7.134 4.904 2.246 1.00 54.15 C ATOM 1117 C GLN A2082 8.036 6.122 2.459 1.00 63.43 C ATOM 1118 O GLN A2082 7.728 6.993 3.271 1.00 52.11 O ATOM 1119 CB GLN A2082 7.639 3.701 3.043 1.00 55.11 C ATOM 1120 CG GLN A2082 7.773 4.045 4.528 1.00 65.04 C ATOM 1121 CD GLN A2082 9.135 3.607 5.071 1.00 22.21 C ATOM 1122 OE1 GLN A2082 10.064 3.324 4.334 1.00 61.42 O ATOM 1123 NE2 GLN A2082 9.199 3.566 6.398 1.00 13.32 N ATOM 0 H GLN A2082 7.332 3.644 0.583 1.00 40.23 H new ATOM 0 HA GLN A2082 6.136 5.147 2.612 1.00 54.15 H new ATOM 0 HB2 GLN A2082 6.951 2.864 2.920 1.00 55.11 H new ATOM 0 HB3 GLN A2082 8.604 3.380 2.652 1.00 55.11 H new ATOM 0 HG2 GLN A2082 7.649 5.119 4.669 1.00 65.04 H new ATOM 0 HG3 GLN A2082 6.978 3.556 5.092 1.00 65.04 H new ATOM 0 HE21 GLN A2082 8.383 3.816 6.956 1.00 13.32 H new ATOM 0 HE22 GLN A2082 10.065 3.284 6.858 1.00 13.32 H new ATOM 1132 N GLU A2083 9.133 6.144 1.716 1.00 41.21 N ATOM 1133 CA GLU A2083 10.082 7.238 1.813 1.00 34.11 C ATOM 1134 C GLU A2083 9.423 8.552 1.383 1.00 24.12 C ATOM 1135 O GLU A2083 9.676 9.600 1.974 1.00 41.32 O ATOM 1136 CB GLU A2083 11.334 6.955 0.980 1.00 71.44 C ATOM 1137 CG GLU A2083 11.567 8.061 -0.051 1.00 64.24 C ATOM 1138 CD GLU A2083 12.867 7.824 -0.824 1.00 55.43 C ATOM 1139 OE1 GLU A2083 13.879 8.490 -0.551 1.00 10.14 O ATOM 1140 OE2 GLU A2083 12.803 6.913 -1.733 1.00 63.31 O ATOM 0 H GLU A2083 9.385 5.420 1.043 1.00 41.21 H new ATOM 0 HA GLU A2083 10.392 7.332 2.854 1.00 34.11 H new ATOM 0 HB2 GLU A2083 12.201 6.875 1.636 1.00 71.44 H new ATOM 0 HB3 GLU A2083 11.229 5.996 0.473 1.00 71.44 H new ATOM 0 HG2 GLU A2083 10.728 8.098 -0.746 1.00 64.24 H new ATOM 0 HG3 GLU A2083 11.609 9.028 0.450 1.00 64.24 H new ATOM 1148 N TRP A2084 8.590 8.451 0.358 1.00 74.41 N ATOM 1149 CA TRP A2084 7.893 9.617 -0.156 1.00 64.24 C ATOM 1150 C TRP A2084 6.808 10.003 0.852 1.00 41.54 C ATOM 1151 O TRP A2084 6.374 11.153 0.890 1.00 55.45 O ATOM 1152 CB TRP A2084 7.339 9.350 -1.557 1.00 2.12 C ATOM 1153 CG TRP A2084 8.411 9.029 -2.601 1.00 21.15 C ATOM 1154 CD1 TRP A2084 8.756 7.829 -3.087 1.00 14.52 C ATOM 1155 CD2 TRP A2084 9.271 9.976 -3.270 1.00 31.14 C ATOM 1156 NE1 TRP A2084 9.771 7.931 -4.016 1.00 22.45 N ATOM 1157 CE2 TRP A2084 10.094 9.280 -4.132 1.00 12.24 C ATOM 1158 CE3 TRP A2084 9.351 11.374 -3.151 1.00 62.54 C ATOM 1159 CZ2 TRP A2084 11.055 9.896 -4.941 1.00 60.12 C ATOM 1160 CZ3 TRP A2084 10.316 11.976 -3.967 1.00 55.22 C ATOM 1161 CH2 TRP A2084 11.152 11.291 -4.839 1.00 21.54 C ATOM 0 H TRP A2084 8.382 7.580 -0.130 1.00 74.41 H new ATOM 0 HA TRP A2084 8.578 10.457 -0.268 1.00 64.24 H new ATOM 0 HB2 TRP A2084 6.636 8.519 -1.506 1.00 2.12 H new ATOM 0 HB3 TRP A2084 6.776 10.223 -1.886 1.00 2.12 H new ATOM 0 HD1 TRP A2084 8.297 6.898 -2.789 1.00 14.52 H new ATOM 0 HE1 TRP A2084 10.205 7.160 -4.524 1.00 22.45 H new ATOM 0 HE3 TRP A2084 8.718 11.939 -2.483 1.00 62.54 H new ATOM 0 HZ2 TRP A2084 11.687 9.328 -5.607 1.00 60.12 H new ATOM 0 HZ3 TRP A2084 10.418 13.050 -3.915 1.00 55.22 H new ATOM 0 HH2 TRP A2084 11.873 11.830 -5.435 1.00 21.54 H new ATOM 1172 N CYS A2085 6.402 9.020 1.641 1.00 51.35 N ATOM 1173 CA CYS A2085 5.377 9.243 2.646 1.00 71.04 C ATOM 1174 C CYS A2085 5.992 10.055 3.788 1.00 11.23 C ATOM 1175 O CYS A2085 5.521 11.147 4.102 1.00 31.15 O ATOM 1176 CB CYS A2085 4.776 7.926 3.142 1.00 73.25 C ATOM 1177 SG CYS A2085 3.253 7.541 2.203 1.00 1.41 S ATOM 0 H CYS A2085 6.764 8.067 1.605 1.00 51.35 H new ATOM 0 HA CYS A2085 4.550 9.802 2.208 1.00 71.04 H new ATOM 0 HB2 CYS A2085 5.500 7.119 3.024 1.00 73.25 H new ATOM 0 HB3 CYS A2085 4.549 7.998 4.206 1.00 73.25 H new ATOM 0 HG CYS A2085 2.242 8.150 2.747 1.00 1.41 H new ATOM 1183 N ARG A2086 7.036 9.491 4.376 1.00 15.30 N ATOM 1184 CA ARG A2086 7.720 10.148 5.478 1.00 41.52 C ATOM 1185 C ARG A2086 8.416 11.420 4.986 1.00 30.11 C ATOM 1186 O ARG A2086 8.604 12.364 5.751 1.00 71.34 O ATOM 1187 CB ARG A2086 8.758 9.222 6.114 1.00 22.02 C ATOM 1188 CG ARG A2086 9.973 9.049 5.199 1.00 53.01 C ATOM 1189 CD ARG A2086 10.464 7.600 5.209 1.00 32.43 C ATOM 1190 NE ARG A2086 11.805 7.517 4.590 1.00 2.32 N ATOM 1191 CZ ARG A2086 12.656 6.482 4.763 1.00 71.23 C ATOM 1192 NH1 ARG A2086 12.309 5.433 5.538 1.00 14.43 N ATOM 1193 NH2 ARG A2086 13.830 6.511 4.160 1.00 52.41 N ATOM 0 H ARG A2086 7.426 8.586 4.111 1.00 15.30 H new ATOM 0 HA ARG A2086 6.971 10.404 6.228 1.00 41.52 H new ATOM 0 HB2 ARG A2086 9.076 9.631 7.073 1.00 22.02 H new ATOM 0 HB3 ARG A2086 8.308 8.250 6.315 1.00 22.02 H new ATOM 0 HG2 ARG A2086 9.712 9.341 4.182 1.00 53.01 H new ATOM 0 HG3 ARG A2086 10.775 9.711 5.525 1.00 53.01 H new ATOM 0 HD2 ARG A2086 10.503 7.227 6.233 1.00 32.43 H new ATOM 0 HD3 ARG A2086 9.763 6.966 4.666 1.00 32.43 H new ATOM 0 HE ARG A2086 12.106 8.289 3.996 1.00 2.32 H new ATOM 0 HH11 ARG A2086 11.399 5.418 5.998 1.00 14.43 H new ATOM 0 HH12 ARG A2086 12.957 4.655 5.664 1.00 14.43 H new ATOM 0 HH21 ARG A2086 14.083 7.307 3.574 1.00 52.41 H new ATOM 0 HH22 ARG A2086 14.484 5.738 4.280 1.00 52.41 H new ATOM 1205 N LYS A2087 8.780 11.402 3.712 1.00 2.13 N ATOM 1206 CA LYS A2087 9.450 12.542 3.109 1.00 71.12 C ATOM 1207 C LYS A2087 8.466 13.710 3.004 1.00 11.33 C ATOM 1208 O LYS A2087 8.813 14.847 3.322 1.00 22.34 O ATOM 1209 CB LYS A2087 10.080 12.146 1.772 1.00 2.23 C ATOM 1210 CG LYS A2087 10.631 13.373 1.043 1.00 43.43 C ATOM 1211 CD LYS A2087 9.681 13.827 -0.067 1.00 4.54 C ATOM 1212 CE LYS A2087 10.394 13.864 -1.420 1.00 23.33 C ATOM 1213 NZ LYS A2087 11.177 15.111 -1.559 1.00 22.14 N ATOM 0 H LYS A2087 8.624 10.616 3.081 1.00 2.13 H new ATOM 0 HA LYS A2087 10.275 12.876 3.738 1.00 71.12 H new ATOM 0 HB2 LYS A2087 10.883 11.428 1.942 1.00 2.23 H new ATOM 0 HB3 LYS A2087 9.336 11.651 1.148 1.00 2.23 H new ATOM 0 HG2 LYS A2087 10.780 14.186 1.754 1.00 43.43 H new ATOM 0 HG3 LYS A2087 11.607 13.139 0.618 1.00 43.43 H new ATOM 0 HD2 LYS A2087 8.828 13.150 -0.120 1.00 4.54 H new ATOM 0 HD3 LYS A2087 9.288 14.816 0.168 1.00 4.54 H new ATOM 0 HE2 LYS A2087 11.053 13.001 -1.514 1.00 23.33 H new ATOM 0 HE3 LYS A2087 9.663 13.795 -2.225 1.00 23.33 H new ATOM 0 HZ1 LYS A2087 11.655 15.120 -2.483 1.00 22.14 H new ATOM 0 HZ2 LYS A2087 10.540 15.930 -1.491 1.00 22.14 H new ATOM 0 HZ3 LYS A2087 11.888 15.161 -0.801 1.00 22.14 H new ATOM 1226 N TYR A2088 7.262 13.389 2.558 1.00 32.13 N ATOM 1227 CA TYR A2088 6.226 14.398 2.409 1.00 24.34 C ATOM 1228 C TYR A2088 5.712 14.864 3.772 1.00 11.25 C ATOM 1229 O TYR A2088 5.422 16.043 3.961 1.00 41.14 O ATOM 1230 CB TYR A2088 5.083 13.720 1.651 1.00 34.14 C ATOM 1231 CG TYR A2088 3.698 14.280 1.981 1.00 23.00 C ATOM 1232 CD1 TYR A2088 3.032 13.851 3.110 1.00 65.51 C ATOM 1233 CD2 TYR A2088 3.116 15.215 1.149 1.00 10.22 C ATOM 1234 CE1 TYR A2088 1.728 14.379 3.422 1.00 50.41 C ATOM 1235 CE2 TYR A2088 1.813 15.744 1.461 1.00 4.13 C ATOM 1236 CZ TYR A2088 1.184 15.299 2.581 1.00 34.00 C ATOM 1237 OH TYR A2088 -0.048 15.797 2.875 1.00 44.31 O ATOM 0 H TYR A2088 6.979 12.445 2.295 1.00 32.13 H new ATOM 0 HA TYR A2088 6.615 15.272 1.886 1.00 24.34 H new ATOM 0 HB2 TYR A2088 5.259 13.823 0.580 1.00 34.14 H new ATOM 0 HB3 TYR A2088 5.095 12.653 1.875 1.00 34.14 H new ATOM 0 HD1 TYR A2088 3.488 13.119 3.760 1.00 65.51 H new ATOM 0 HD2 TYR A2088 3.637 15.550 0.264 1.00 10.22 H new ATOM 0 HE1 TYR A2088 1.195 14.052 4.303 1.00 50.41 H new ATOM 0 HE2 TYR A2088 1.347 16.477 0.820 1.00 4.13 H new ATOM 0 HH TYR A2088 -0.311 16.445 2.189 1.00 44.31 H new ATOM 1247 N MET A2089 5.616 13.912 4.690 1.00 11.22 N ATOM 1248 CA MET A2089 5.142 14.210 6.030 1.00 24.23 C ATOM 1249 C MET A2089 6.111 15.143 6.759 1.00 71.23 C ATOM 1250 O MET A2089 5.685 16.032 7.497 1.00 0.11 O ATOM 1251 CB MET A2089 4.998 12.907 6.821 1.00 72.00 C ATOM 1252 CG MET A2089 3.731 12.153 6.408 1.00 63.11 C ATOM 1253 SD MET A2089 2.959 11.428 7.844 1.00 13.13 S ATOM 1254 CE MET A2089 1.272 11.953 7.587 1.00 53.33 C ATOM 0 H MET A2089 5.859 12.934 4.531 1.00 11.22 H new ATOM 0 HA MET A2089 4.176 14.708 5.951 1.00 24.23 H new ATOM 0 HB2 MET A2089 5.872 12.277 6.653 1.00 72.00 H new ATOM 0 HB3 MET A2089 4.963 13.127 7.888 1.00 72.00 H new ATOM 0 HG2 MET A2089 3.036 12.834 5.916 1.00 63.11 H new ATOM 0 HG3 MET A2089 3.980 11.375 5.686 1.00 63.11 H new ATOM 0 HE1 MET A2089 1.035 12.766 8.274 1.00 53.33 H new ATOM 0 HE2 MET A2089 1.151 12.299 6.560 1.00 53.33 H new ATOM 0 HE3 MET A2089 0.599 11.116 7.770 1.00 53.33 H new ATOM 1264 N LYS A2090 7.395 14.912 6.525 1.00 12.21 N ATOM 1265 CA LYS A2090 8.426 15.723 7.151 1.00 73.32 C ATOM 1266 C LYS A2090 8.695 16.956 6.286 1.00 65.34 C ATOM 1267 O LYS A2090 8.862 18.059 6.802 1.00 70.44 O ATOM 1268 CB LYS A2090 9.675 14.882 7.426 1.00 61.20 C ATOM 1269 CG LYS A2090 10.055 14.937 8.907 1.00 13.44 C ATOM 1270 CD LYS A2090 10.711 16.275 9.256 1.00 33.23 C ATOM 1271 CE LYS A2090 10.196 16.804 10.596 1.00 2.53 C ATOM 1272 NZ LYS A2090 10.910 18.046 10.970 1.00 71.43 N ATOM 0 H LYS A2090 7.744 14.176 5.911 1.00 12.21 H new ATOM 0 HA LYS A2090 8.090 16.082 8.124 1.00 73.32 H new ATOM 0 HB2 LYS A2090 9.495 13.848 7.131 1.00 61.20 H new ATOM 0 HB3 LYS A2090 10.504 15.246 6.820 1.00 61.20 H new ATOM 0 HG2 LYS A2090 9.165 14.793 9.520 1.00 13.44 H new ATOM 0 HG3 LYS A2090 10.738 14.121 9.141 1.00 13.44 H new ATOM 0 HD2 LYS A2090 11.793 16.153 9.301 1.00 33.23 H new ATOM 0 HD3 LYS A2090 10.504 17.002 8.470 1.00 33.23 H new ATOM 0 HE2 LYS A2090 9.125 16.998 10.530 1.00 2.53 H new ATOM 0 HE3 LYS A2090 10.336 16.049 11.370 1.00 2.53 H new ATOM 0 HZ1 LYS A2090 10.549 18.393 11.882 1.00 71.43 H new ATOM 0 HZ2 LYS A2090 11.928 17.850 11.052 1.00 71.43 H new ATOM 0 HZ3 LYS A2090 10.755 18.769 10.239 1.00 71.43 H new ATOM 1285 N SER A2091 8.728 16.727 4.979 1.00 2.12 N ATOM 1286 CA SER A2091 8.975 17.805 4.037 1.00 64.20 C ATOM 1287 C SER A2091 7.680 18.580 3.781 1.00 43.22 C ATOM 1288 O SER A2091 7.535 19.717 4.227 1.00 22.13 O ATOM 1289 CB SER A2091 9.539 17.268 2.721 1.00 5.42 C ATOM 1290 OG SER A2091 10.085 18.305 1.910 1.00 33.13 O ATOM 0 H SER A2091 8.588 15.811 4.552 1.00 2.12 H new ATOM 0 HA SER A2091 9.716 18.477 4.471 1.00 64.20 H new ATOM 0 HB2 SER A2091 10.312 16.529 2.933 1.00 5.42 H new ATOM 0 HB3 SER A2091 8.750 16.755 2.171 1.00 5.42 H new ATOM 0 HG SER A2091 10.436 17.920 1.080 1.00 33.13 H new ATOM 1296 N GLY A2092 6.774 17.936 3.061 1.00 31.23 N ATOM 1297 CA GLY A2092 5.496 18.551 2.739 1.00 4.50 C ATOM 1298 C GLY A2092 5.444 18.966 1.269 1.00 50.41 C ATOM 1299 O GLY A2092 5.827 20.082 0.921 1.00 72.23 O ATOM 0 H GLY A2092 6.899 16.994 2.691 1.00 31.23 H new ATOM 0 HA2 GLY A2092 4.688 17.852 2.952 1.00 4.50 H new ATOM 0 HA3 GLY A2092 5.338 19.424 3.373 1.00 4.50 H new ATOM 1303 N ASN A2093 4.965 18.046 0.444 1.00 62.34 N ATOM 1304 CA ASN A2093 4.856 18.303 -0.982 1.00 42.40 C ATOM 1305 C ASN A2093 3.905 17.282 -1.609 1.00 71.41 C ATOM 1306 O ASN A2093 4.259 16.116 -1.773 1.00 45.24 O ATOM 1307 CB ASN A2093 6.216 18.166 -1.672 1.00 52.13 C ATOM 1308 CG ASN A2093 6.559 19.431 -2.463 1.00 51.44 C ATOM 1309 OD1 ASN A2093 5.698 20.201 -2.856 1.00 1.32 O ATOM 1310 ND2 ASN A2093 7.860 19.602 -2.671 1.00 53.40 N ATOM 0 H ASN A2093 4.648 17.122 0.736 1.00 62.34 H new ATOM 0 HA ASN A2093 4.484 19.319 -1.114 1.00 42.40 H new ATOM 0 HB2 ASN A2093 6.989 17.978 -0.927 1.00 52.13 H new ATOM 0 HB3 ASN A2093 6.203 17.306 -2.342 1.00 52.13 H new ATOM 0 HD21 ASN A2093 8.191 20.417 -3.187 1.00 53.40 H new ATOM 0 HD22 ASN A2093 8.528 18.918 -2.314 1.00 53.40 H new ATOM 1317 N VAL A2094 2.714 17.759 -1.942 1.00 72.21 N ATOM 1318 CA VAL A2094 1.708 16.903 -2.546 1.00 61.51 C ATOM 1319 C VAL A2094 2.350 16.081 -3.666 1.00 64.53 C ATOM 1320 O VAL A2094 2.059 14.896 -3.817 1.00 33.02 O ATOM 1321 CB VAL A2094 0.523 17.744 -3.026 1.00 0.52 C ATOM 1322 CG1 VAL A2094 -0.248 17.024 -4.134 1.00 71.04 C ATOM 1323 CG2 VAL A2094 -0.399 18.105 -1.861 1.00 52.33 C ATOM 0 H VAL A2094 2.424 18.727 -1.805 1.00 72.21 H new ATOM 0 HA VAL A2094 1.314 16.201 -1.811 1.00 61.51 H new ATOM 0 HB VAL A2094 0.917 18.672 -3.442 1.00 0.52 H new ATOM 0 HG11 VAL A2094 -1.085 17.644 -4.457 1.00 71.04 H new ATOM 0 HG12 VAL A2094 0.415 16.841 -4.979 1.00 71.04 H new ATOM 0 HG13 VAL A2094 -0.625 16.073 -3.756 1.00 71.04 H new ATOM 0 HG21 VAL A2094 -1.233 18.703 -2.229 1.00 52.33 H new ATOM 0 HG22 VAL A2094 -0.781 17.193 -1.403 1.00 52.33 H new ATOM 0 HG23 VAL A2094 0.158 18.678 -1.120 1.00 52.33 H new ATOM 1333 N LYS A2095 3.212 16.745 -4.425 1.00 34.22 N ATOM 1334 CA LYS A2095 3.898 16.091 -5.526 1.00 73.43 C ATOM 1335 C LYS A2095 4.509 14.779 -5.033 1.00 60.40 C ATOM 1336 O LYS A2095 4.349 13.736 -5.668 1.00 54.44 O ATOM 1337 CB LYS A2095 4.912 17.041 -6.164 1.00 15.14 C ATOM 1338 CG LYS A2095 5.150 16.684 -7.632 1.00 63.43 C ATOM 1339 CD LYS A2095 6.438 17.327 -8.152 1.00 10.52 C ATOM 1340 CE LYS A2095 7.456 16.263 -8.564 1.00 62.40 C ATOM 1341 NZ LYS A2095 8.319 16.766 -9.657 1.00 23.32 N ATOM 0 H LYS A2095 3.450 17.729 -4.298 1.00 34.22 H new ATOM 0 HA LYS A2095 3.193 15.836 -6.317 1.00 73.43 H new ATOM 0 HB2 LYS A2095 4.551 18.067 -6.089 1.00 15.14 H new ATOM 0 HB3 LYS A2095 5.854 16.994 -5.617 1.00 15.14 H new ATOM 0 HG2 LYS A2095 5.210 15.601 -7.741 1.00 63.43 H new ATOM 0 HG3 LYS A2095 4.304 17.018 -8.233 1.00 63.43 H new ATOM 0 HD2 LYS A2095 6.210 17.967 -9.005 1.00 10.52 H new ATOM 0 HD3 LYS A2095 6.867 17.966 -7.380 1.00 10.52 H new ATOM 0 HE2 LYS A2095 8.069 15.987 -7.706 1.00 62.40 H new ATOM 0 HE3 LYS A2095 6.937 15.361 -8.888 1.00 62.40 H new ATOM 0 HZ1 LYS A2095 9.004 16.031 -9.924 1.00 23.32 H new ATOM 0 HZ2 LYS A2095 7.731 17.007 -10.480 1.00 23.32 H new ATOM 0 HZ3 LYS A2095 8.828 17.614 -9.335 1.00 23.32 H new ATOM 1354 N ASP A2096 5.199 14.872 -3.905 1.00 22.54 N ATOM 1355 CA ASP A2096 5.836 13.704 -3.321 1.00 31.33 C ATOM 1356 C ASP A2096 4.761 12.709 -2.879 1.00 52.13 C ATOM 1357 O ASP A2096 4.925 11.500 -3.039 1.00 62.11 O ATOM 1358 CB ASP A2096 6.660 14.086 -2.089 1.00 62.21 C ATOM 1359 CG ASP A2096 7.714 15.167 -2.327 1.00 41.54 C ATOM 1360 OD1 ASP A2096 8.363 15.207 -3.382 1.00 62.44 O ATOM 1361 OD2 ASP A2096 7.859 16.009 -1.359 1.00 10.31 O ATOM 0 H ASP A2096 5.331 15.737 -3.381 1.00 22.54 H new ATOM 0 HA ASP A2096 6.491 13.266 -4.073 1.00 31.33 H new ATOM 0 HB2 ASP A2096 5.981 14.428 -1.308 1.00 62.21 H new ATOM 0 HB3 ASP A2096 7.157 13.192 -1.711 1.00 62.21 H new ATOM 1367 N LEU A2097 3.683 13.252 -2.335 1.00 53.54 N ATOM 1368 CA LEU A2097 2.582 12.427 -1.869 1.00 72.43 C ATOM 1369 C LEU A2097 1.962 11.693 -3.061 1.00 4.41 C ATOM 1370 O LEU A2097 1.706 10.492 -2.988 1.00 54.21 O ATOM 1371 CB LEU A2097 1.578 13.269 -1.079 1.00 53.42 C ATOM 1372 CG LEU A2097 0.251 12.588 -0.738 1.00 23.21 C ATOM 1373 CD1 LEU A2097 0.473 11.133 -0.322 1.00 12.02 C ATOM 1374 CD2 LEU A2097 -0.514 13.378 0.325 1.00 31.32 C ATOM 0 H LEU A2097 3.548 14.255 -2.206 1.00 53.54 H new ATOM 0 HA LEU A2097 2.943 11.667 -1.176 1.00 72.43 H new ATOM 0 HB2 LEU A2097 2.051 13.584 -0.149 1.00 53.42 H new ATOM 0 HB3 LEU A2097 1.363 14.173 -1.650 1.00 53.42 H new ATOM 0 HG LEU A2097 -0.367 12.576 -1.636 1.00 23.21 H new ATOM 0 HD11 LEU A2097 -0.486 10.672 -0.085 1.00 12.02 H new ATOM 0 HD12 LEU A2097 0.945 10.589 -1.140 1.00 12.02 H new ATOM 0 HD13 LEU A2097 1.118 11.100 0.556 1.00 12.02 H new ATOM 0 HD21 LEU A2097 -1.453 12.872 0.549 1.00 31.32 H new ATOM 0 HD22 LEU A2097 0.087 13.445 1.232 1.00 31.32 H new ATOM 0 HD23 LEU A2097 -0.722 14.381 -0.047 1.00 31.32 H new ATOM 1386 N THR A2098 1.741 12.445 -4.129 1.00 32.43 N ATOM 1387 CA THR A2098 1.157 11.878 -5.333 1.00 13.10 C ATOM 1388 C THR A2098 2.016 10.722 -5.848 1.00 64.43 C ATOM 1389 O THR A2098 1.490 9.680 -6.242 1.00 50.24 O ATOM 1390 CB THR A2098 0.986 13.009 -6.351 1.00 23.33 C ATOM 1391 OG1 THR A2098 -0.128 13.749 -5.862 1.00 14.13 O ATOM 1392 CG2 THR A2098 0.525 12.499 -7.719 1.00 55.13 C ATOM 0 H THR A2098 1.955 13.441 -4.186 1.00 32.43 H new ATOM 0 HA THR A2098 0.175 11.448 -5.134 1.00 13.10 H new ATOM 0 HB THR A2098 1.929 13.545 -6.462 1.00 23.33 H new ATOM 0 HG1 THR A2098 0.154 14.301 -5.103 1.00 14.13 H new ATOM 0 HG21 THR A2098 0.419 13.340 -8.404 1.00 55.13 H new ATOM 0 HG22 THR A2098 1.262 11.800 -8.114 1.00 55.13 H new ATOM 0 HG23 THR A2098 -0.435 11.993 -7.614 1.00 55.13 H new ATOM 1400 N GLN A2099 3.322 10.942 -5.830 1.00 45.01 N ATOM 1401 CA GLN A2099 4.259 9.931 -6.291 1.00 74.44 C ATOM 1402 C GLN A2099 4.153 8.675 -5.424 1.00 32.02 C ATOM 1403 O GLN A2099 4.190 7.557 -5.936 1.00 71.42 O ATOM 1404 CB GLN A2099 5.689 10.472 -6.302 1.00 20.24 C ATOM 1405 CG GLN A2099 6.261 10.482 -7.719 1.00 70.14 C ATOM 1406 CD GLN A2099 6.568 9.063 -8.199 1.00 23.14 C ATOM 1407 OE1 GLN A2099 5.808 8.446 -8.926 1.00 74.44 O ATOM 1408 NE2 GLN A2099 7.725 8.579 -7.752 1.00 32.34 N ATOM 0 H GLN A2099 3.754 11.806 -5.503 1.00 45.01 H new ATOM 0 HA GLN A2099 4.000 9.664 -7.316 1.00 74.44 H new ATOM 0 HB2 GLN A2099 5.702 11.483 -5.894 1.00 20.24 H new ATOM 0 HB3 GLN A2099 6.318 9.859 -5.657 1.00 20.24 H new ATOM 0 HG2 GLN A2099 5.550 10.953 -8.398 1.00 70.14 H new ATOM 0 HG3 GLN A2099 7.171 11.082 -7.743 1.00 70.14 H new ATOM 0 HE21 GLN A2099 8.316 9.148 -7.146 1.00 32.34 H new ATOM 0 HE22 GLN A2099 8.021 7.639 -8.016 1.00 32.34 H new ATOM 1417 N ALA A2100 4.023 8.902 -4.124 1.00 62.40 N ATOM 1418 CA ALA A2100 3.912 7.802 -3.181 1.00 31.03 C ATOM 1419 C ALA A2100 2.612 7.038 -3.444 1.00 74.04 C ATOM 1420 O ALA A2100 2.590 5.809 -3.398 1.00 13.20 O ATOM 1421 CB ALA A2100 3.989 8.345 -1.752 1.00 44.00 C ATOM 0 H ALA A2100 3.992 9.830 -3.703 1.00 62.40 H new ATOM 0 HA ALA A2100 4.738 7.102 -3.310 1.00 31.03 H new ATOM 0 HB1 ALA A2100 3.906 7.520 -1.044 1.00 44.00 H new ATOM 0 HB2 ALA A2100 4.942 8.853 -1.607 1.00 44.00 H new ATOM 0 HB3 ALA A2100 3.174 9.049 -1.586 1.00 44.00 H new ATOM 1427 N TRP A2101 1.562 7.797 -3.715 1.00 62.35 N ATOM 1428 CA TRP A2101 0.263 7.209 -3.987 1.00 74.41 C ATOM 1429 C TRP A2101 0.371 6.395 -5.277 1.00 61.31 C ATOM 1430 O TRP A2101 -0.305 5.381 -5.435 1.00 62.43 O ATOM 1431 CB TRP A2101 -0.826 8.282 -4.048 1.00 54.33 C ATOM 1432 CG TRP A2101 -1.849 8.199 -2.914 1.00 23.11 C ATOM 1433 CD1 TRP A2101 -2.009 9.040 -1.883 1.00 3.04 C ATOM 1434 CD2 TRP A2101 -2.855 7.179 -2.739 1.00 53.30 C ATOM 1435 NE1 TRP A2101 -3.041 8.637 -1.059 1.00 10.32 N ATOM 1436 CE2 TRP A2101 -3.572 7.470 -1.596 1.00 42.43 C ATOM 1437 CE3 TRP A2101 -3.151 6.049 -3.520 1.00 10.45 C ATOM 1438 CZ2 TRP A2101 -4.628 6.679 -1.130 1.00 60.31 C ATOM 1439 CZ3 TRP A2101 -4.209 5.268 -3.041 1.00 32.55 C ATOM 1440 CH2 TRP A2101 -4.940 5.547 -1.892 1.00 41.10 C ATOM 0 H TRP A2101 1.585 8.816 -3.752 1.00 62.35 H new ATOM 0 HA TRP A2101 -0.032 6.541 -3.177 1.00 74.41 H new ATOM 0 HB2 TRP A2101 -0.355 9.265 -4.026 1.00 54.33 H new ATOM 0 HB3 TRP A2101 -1.349 8.200 -5.001 1.00 54.33 H new ATOM 0 HD1 TRP A2101 -1.407 9.921 -1.718 1.00 3.04 H new ATOM 0 HE1 TRP A2101 -3.356 9.109 -0.211 1.00 10.32 H new ATOM 0 HE3 TRP A2101 -2.605 5.803 -4.419 1.00 10.45 H new ATOM 0 HZ2 TRP A2101 -5.173 6.928 -0.231 1.00 60.31 H new ATOM 0 HZ3 TRP A2101 -4.476 4.386 -3.604 1.00 32.55 H new ATOM 0 HH2 TRP A2101 -5.745 4.894 -1.589 1.00 41.10 H new ATOM 1451 N ASP A2102 1.229 6.870 -6.168 1.00 61.13 N ATOM 1452 CA ASP A2102 1.437 6.199 -7.440 1.00 11.54 C ATOM 1453 C ASP A2102 2.070 4.829 -7.192 1.00 1.20 C ATOM 1454 O ASP A2102 1.581 3.816 -7.691 1.00 44.40 O ATOM 1455 CB ASP A2102 2.381 7.001 -8.338 1.00 60.14 C ATOM 1456 CG ASP A2102 1.806 7.382 -9.705 1.00 14.31 C ATOM 1457 OD1 ASP A2102 0.679 7.000 -10.052 1.00 44.14 O ATOM 1458 OD2 ASP A2102 2.577 8.113 -10.437 1.00 13.13 O ATOM 0 H ASP A2102 1.789 7.712 -6.034 1.00 61.13 H new ATOM 0 HA ASP A2102 0.469 6.101 -7.931 1.00 11.54 H new ATOM 0 HB2 ASP A2102 2.669 7.913 -7.815 1.00 60.14 H new ATOM 0 HB3 ASP A2102 3.291 6.421 -8.492 1.00 60.14 H new ATOM 1464 N LEU A2103 3.149 4.841 -6.422 1.00 54.15 N ATOM 1465 CA LEU A2103 3.854 3.613 -6.102 1.00 0.24 C ATOM 1466 C LEU A2103 2.871 2.610 -5.492 1.00 1.20 C ATOM 1467 O LEU A2103 2.813 1.456 -5.915 1.00 43.13 O ATOM 1468 CB LEU A2103 5.063 3.904 -5.212 1.00 71.54 C ATOM 1469 CG LEU A2103 6.333 4.358 -5.936 1.00 1.43 C ATOM 1470 CD1 LEU A2103 6.279 5.853 -6.255 1.00 5.34 C ATOM 1471 CD2 LEU A2103 7.582 3.987 -5.133 1.00 62.12 C ATOM 0 H LEU A2103 3.552 5.683 -6.011 1.00 54.15 H new ATOM 0 HA LEU A2103 4.256 3.159 -7.008 1.00 0.24 H new ATOM 0 HB2 LEU A2103 4.783 4.674 -4.493 1.00 71.54 H new ATOM 0 HB3 LEU A2103 5.295 3.004 -4.642 1.00 71.54 H new ATOM 0 HG LEU A2103 6.392 3.829 -6.887 1.00 1.43 H new ATOM 0 HD11 LEU A2103 7.194 6.149 -6.769 1.00 5.34 H new ATOM 0 HD12 LEU A2103 5.421 6.058 -6.895 1.00 5.34 H new ATOM 0 HD13 LEU A2103 6.184 6.420 -5.329 1.00 5.34 H new ATOM 0 HD21 LEU A2103 8.471 4.320 -5.668 1.00 62.12 H new ATOM 0 HD22 LEU A2103 7.544 4.470 -4.157 1.00 62.12 H new ATOM 0 HD23 LEU A2103 7.622 2.906 -5.001 1.00 62.12 H new ATOM 1483 N TYR A2104 2.121 3.087 -4.508 1.00 62.23 N ATOM 1484 CA TYR A2104 1.145 2.247 -3.838 1.00 60.10 C ATOM 1485 C TYR A2104 0.149 1.655 -4.838 1.00 65.12 C ATOM 1486 O TYR A2104 -0.069 0.446 -4.862 1.00 70.22 O ATOM 1487 CB TYR A2104 0.393 3.164 -2.870 1.00 4.15 C ATOM 1488 CG TYR A2104 1.144 3.440 -1.565 1.00 22.05 C ATOM 1489 CD1 TYR A2104 1.766 2.406 -0.894 1.00 61.22 C ATOM 1490 CD2 TYR A2104 1.199 4.722 -1.060 1.00 41.33 C ATOM 1491 CE1 TYR A2104 2.472 2.666 0.333 1.00 41.43 C ATOM 1492 CE2 TYR A2104 1.905 4.981 0.168 1.00 61.14 C ATOM 1493 CZ TYR A2104 2.506 3.941 0.804 1.00 13.54 C ATOM 1494 OH TYR A2104 3.174 4.186 1.964 1.00 14.51 O ATOM 0 H TYR A2104 2.171 4.044 -4.160 1.00 62.23 H new ATOM 0 HA TYR A2104 1.638 1.417 -3.332 1.00 60.10 H new ATOM 0 HB2 TYR A2104 0.189 4.112 -3.368 1.00 4.15 H new ATOM 0 HB3 TYR A2104 -0.571 2.714 -2.634 1.00 4.15 H new ATOM 0 HD1 TYR A2104 1.723 1.402 -1.290 1.00 61.22 H new ATOM 0 HD2 TYR A2104 0.713 5.531 -1.585 1.00 41.33 H new ATOM 0 HE1 TYR A2104 2.964 1.867 0.867 1.00 41.43 H new ATOM 0 HE2 TYR A2104 1.956 5.980 0.575 1.00 61.14 H new ATOM 0 HH TYR A2104 3.254 5.154 2.097 1.00 14.51 H new ATOM 1504 N TYR A2105 -0.427 2.539 -5.642 1.00 21.15 N ATOM 1505 CA TYR A2105 -1.394 2.120 -6.642 1.00 63.41 C ATOM 1506 C TYR A2105 -0.878 0.916 -7.433 1.00 52.32 C ATOM 1507 O TYR A2105 -1.608 -0.052 -7.643 1.00 12.43 O ATOM 1508 CB TYR A2105 -1.558 3.307 -7.592 1.00 52.12 C ATOM 1509 CG TYR A2105 -2.803 3.229 -8.478 1.00 25.33 C ATOM 1510 CD1 TYR A2105 -3.593 2.097 -8.459 1.00 24.35 C ATOM 1511 CD2 TYR A2105 -3.138 4.289 -9.295 1.00 23.51 C ATOM 1512 CE1 TYR A2105 -4.766 2.022 -9.292 1.00 1.45 C ATOM 1513 CE2 TYR A2105 -4.309 4.214 -10.129 1.00 4.11 C ATOM 1514 CZ TYR A2105 -5.067 3.085 -10.085 1.00 43.40 C ATOM 1515 OH TYR A2105 -6.173 3.014 -10.873 1.00 34.23 O ATOM 0 H TYR A2105 -0.242 3.542 -5.620 1.00 21.15 H new ATOM 0 HA TYR A2105 -2.333 1.829 -6.171 1.00 63.41 H new ATOM 0 HB2 TYR A2105 -1.599 4.225 -7.006 1.00 52.12 H new ATOM 0 HB3 TYR A2105 -0.676 3.374 -8.228 1.00 52.12 H new ATOM 0 HD1 TYR A2105 -3.331 1.267 -7.819 1.00 24.35 H new ATOM 0 HD2 TYR A2105 -2.521 5.176 -9.309 1.00 23.51 H new ATOM 0 HE1 TYR A2105 -5.392 1.142 -9.287 1.00 1.45 H new ATOM 0 HE2 TYR A2105 -4.580 5.036 -10.775 1.00 4.11 H new ATOM 0 HH TYR A2105 -6.264 3.845 -11.384 1.00 34.23 H new ATOM 1525 N HIS A2106 0.374 1.016 -7.851 1.00 62.04 N ATOM 1526 CA HIS A2106 0.996 -0.052 -8.615 1.00 23.32 C ATOM 1527 C HIS A2106 1.074 -1.318 -7.758 1.00 14.41 C ATOM 1528 O HIS A2106 0.830 -2.419 -8.247 1.00 44.41 O ATOM 1529 CB HIS A2106 2.361 0.387 -9.150 1.00 4.41 C ATOM 1530 CG HIS A2106 2.912 -0.511 -10.233 1.00 13.44 C ATOM 1531 ND1 HIS A2106 3.113 -0.081 -11.532 1.00 41.04 N ATOM 1532 CD2 HIS A2106 3.305 -1.817 -10.195 1.00 33.14 C ATOM 1533 CE1 HIS A2106 3.603 -1.092 -12.236 1.00 33.22 C ATOM 1534 NE2 HIS A2106 3.720 -2.166 -11.405 1.00 34.54 N ATOM 0 H HIS A2106 0.976 1.821 -7.675 1.00 62.04 H new ATOM 0 HA HIS A2106 0.386 -0.283 -9.488 1.00 23.32 H new ATOM 0 HB2 HIS A2106 2.278 1.401 -9.540 1.00 4.41 H new ATOM 0 HB3 HIS A2106 3.071 0.420 -8.323 1.00 4.41 H new ATOM 0 HD2 HIS A2106 3.282 -2.458 -9.326 1.00 33.14 H new ATOM 0 HE1 HIS A2106 3.864 -1.069 -13.284 1.00 33.22 H new ATOM 0 HE2 HIS A2106 4.069 -3.087 -11.670 1.00 34.54 H new ATOM 1543 N VAL A2107 1.415 -1.117 -6.493 1.00 42.22 N ATOM 1544 CA VAL A2107 1.528 -2.228 -5.563 1.00 34.21 C ATOM 1545 C VAL A2107 0.144 -2.842 -5.338 1.00 52.44 C ATOM 1546 O VAL A2107 -0.054 -4.034 -5.570 1.00 40.13 O ATOM 1547 CB VAL A2107 2.191 -1.760 -4.267 1.00 13.03 C ATOM 1548 CG1 VAL A2107 1.830 -2.683 -3.102 1.00 51.43 C ATOM 1549 CG2 VAL A2107 3.709 -1.653 -4.433 1.00 62.20 C ATOM 0 H VAL A2107 1.617 -0.202 -6.091 1.00 42.22 H new ATOM 0 HA VAL A2107 2.167 -3.008 -5.976 1.00 34.21 H new ATOM 0 HB VAL A2107 1.809 -0.765 -4.037 1.00 13.03 H new ATOM 0 HG11 VAL A2107 2.315 -2.328 -2.193 1.00 51.43 H new ATOM 0 HG12 VAL A2107 0.749 -2.685 -2.961 1.00 51.43 H new ATOM 0 HG13 VAL A2107 2.169 -3.696 -3.322 1.00 51.43 H new ATOM 0 HG21 VAL A2107 4.155 -1.318 -3.496 1.00 62.20 H new ATOM 0 HG22 VAL A2107 4.115 -2.628 -4.700 1.00 62.20 H new ATOM 0 HG23 VAL A2107 3.939 -0.936 -5.221 1.00 62.20 H new ATOM 1559 N PHE A2108 -0.776 -2.001 -4.891 1.00 11.01 N ATOM 1560 CA PHE A2108 -2.135 -2.448 -4.634 1.00 52.33 C ATOM 1561 C PHE A2108 -2.803 -2.940 -5.918 1.00 24.40 C ATOM 1562 O PHE A2108 -3.672 -3.808 -5.875 1.00 62.21 O ATOM 1563 CB PHE A2108 -2.909 -1.239 -4.102 1.00 15.53 C ATOM 1564 CG PHE A2108 -2.662 -0.945 -2.620 1.00 22.21 C ATOM 1565 CD1 PHE A2108 -1.492 -0.374 -2.225 1.00 22.44 C ATOM 1566 CD2 PHE A2108 -3.612 -1.255 -1.698 1.00 73.22 C ATOM 1567 CE1 PHE A2108 -1.263 -0.101 -0.851 1.00 32.51 C ATOM 1568 CE2 PHE A2108 -3.384 -0.981 -0.325 1.00 12.51 C ATOM 1569 CZ PHE A2108 -2.215 -0.411 0.070 1.00 53.52 C ATOM 0 H PHE A2108 -0.608 -1.013 -4.700 1.00 11.01 H new ATOM 0 HA PHE A2108 -2.127 -3.273 -3.922 1.00 52.33 H new ATOM 0 HB2 PHE A2108 -2.637 -0.360 -4.687 1.00 15.53 H new ATOM 0 HB3 PHE A2108 -3.975 -1.406 -4.256 1.00 15.53 H new ATOM 0 HD1 PHE A2108 -0.737 -0.128 -2.957 1.00 22.44 H new ATOM 0 HD2 PHE A2108 -4.540 -1.710 -2.011 1.00 73.22 H new ATOM 0 HE1 PHE A2108 -0.334 0.352 -0.537 1.00 32.51 H new ATOM 0 HE2 PHE A2108 -4.140 -1.225 0.407 1.00 12.51 H new ATOM 0 HZ PHE A2108 -2.042 -0.204 1.116 1.00 53.52 H new ATOM 1579 N ARG A2109 -2.371 -2.365 -7.030 1.00 1.40 N ATOM 1580 CA ARG A2109 -2.917 -2.734 -8.326 1.00 0.24 C ATOM 1581 C ARG A2109 -2.371 -4.096 -8.761 1.00 63.52 C ATOM 1582 O ARG A2109 -3.043 -4.839 -9.476 1.00 11.04 O ATOM 1583 CB ARG A2109 -2.571 -1.690 -9.388 1.00 20.22 C ATOM 1584 CG ARG A2109 -3.021 -2.151 -10.775 1.00 44.41 C ATOM 1585 CD ARG A2109 -2.485 -1.216 -11.864 1.00 62.24 C ATOM 1586 NE ARG A2109 -3.610 -0.552 -12.558 1.00 73.20 N ATOM 1587 CZ ARG A2109 -3.479 0.170 -13.693 1.00 74.43 C ATOM 1588 NH1 ARG A2109 -2.268 0.326 -14.268 1.00 73.35 N ATOM 1589 NH2 ARG A2109 -4.554 0.719 -14.228 1.00 41.40 N ATOM 0 H ARG A2109 -1.649 -1.646 -7.061 1.00 1.40 H new ATOM 0 HA ARG A2109 -4.001 -2.787 -8.227 1.00 0.24 H new ATOM 0 HB2 ARG A2109 -3.051 -0.743 -9.142 1.00 20.22 H new ATOM 0 HB3 ARG A2109 -1.496 -1.511 -9.391 1.00 20.22 H new ATOM 0 HG2 ARG A2109 -2.669 -3.166 -10.957 1.00 44.41 H new ATOM 0 HG3 ARG A2109 -4.110 -2.179 -10.818 1.00 44.41 H new ATOM 0 HD2 ARG A2109 -1.827 -0.468 -11.421 1.00 62.24 H new ATOM 0 HD3 ARG A2109 -1.888 -1.782 -12.580 1.00 62.24 H new ATOM 0 HE ARG A2109 -4.542 -0.645 -12.155 1.00 73.20 H new ATOM 0 HH11 ARG A2109 -1.444 -0.102 -13.846 1.00 73.35 H new ATOM 0 HH12 ARG A2109 -2.177 0.872 -15.125 1.00 73.35 H new ATOM 0 HH21 ARG A2109 -5.464 0.595 -13.785 1.00 41.40 H new ATOM 0 HH22 ARG A2109 -4.474 1.267 -15.084 1.00 41.40 H new ATOM 1601 N ARG A2110 -1.157 -4.382 -8.314 1.00 42.21 N ATOM 1602 CA ARG A2110 -0.514 -5.641 -8.649 1.00 61.12 C ATOM 1603 C ARG A2110 -1.187 -6.797 -7.905 1.00 51.41 C ATOM 1604 O ARG A2110 -1.562 -7.797 -8.514 1.00 14.31 O ATOM 1605 CB ARG A2110 0.974 -5.611 -8.294 1.00 41.14 C ATOM 1606 CG ARG A2110 1.829 -5.344 -9.535 1.00 74.12 C ATOM 1607 CD ARG A2110 2.298 -6.654 -10.169 1.00 23.03 C ATOM 1608 NE ARG A2110 3.711 -6.912 -9.815 1.00 61.13 N ATOM 1609 CZ ARG A2110 4.401 -8.007 -10.199 1.00 3.10 C ATOM 1610 NH1 ARG A2110 3.811 -8.956 -10.958 1.00 42.11 N ATOM 1611 NH2 ARG A2110 5.661 -8.134 -9.825 1.00 64.13 N ATOM 0 H ARG A2110 -0.602 -3.763 -7.723 1.00 42.21 H new ATOM 0 HA ARG A2110 -0.616 -5.789 -9.724 1.00 61.12 H new ATOM 0 HB2 ARG A2110 1.158 -4.838 -7.548 1.00 41.14 H new ATOM 0 HB3 ARG A2110 1.264 -6.561 -7.846 1.00 41.14 H new ATOM 0 HG2 ARG A2110 1.253 -4.770 -10.261 1.00 74.12 H new ATOM 0 HG3 ARG A2110 2.693 -4.738 -9.262 1.00 74.12 H new ATOM 0 HD2 ARG A2110 1.673 -7.478 -9.825 1.00 23.03 H new ATOM 0 HD3 ARG A2110 2.190 -6.602 -11.252 1.00 23.03 H new ATOM 0 HE ARG A2110 4.195 -6.218 -9.245 1.00 61.13 H new ATOM 0 HH11 ARG A2110 2.838 -8.848 -11.245 1.00 42.11 H new ATOM 0 HH12 ARG A2110 4.338 -9.781 -11.244 1.00 42.11 H new ATOM 0 HH21 ARG A2110 6.099 -7.411 -9.254 1.00 64.13 H new ATOM 0 HH22 ARG A2110 6.196 -8.955 -10.107 1.00 64.13 H new ATOM 1623 N ILE A2111 -1.317 -6.619 -6.599 1.00 41.04 N ATOM 1624 CA ILE A2111 -1.937 -7.633 -5.764 1.00 33.51 C ATOM 1625 C ILE A2111 -3.243 -8.095 -6.414 1.00 25.12 C ATOM 1626 O ILE A2111 -3.653 -9.242 -6.243 1.00 62.33 O ATOM 1627 CB ILE A2111 -2.112 -7.117 -4.333 1.00 71.11 C ATOM 1628 CG1 ILE A2111 -2.746 -5.726 -4.325 1.00 51.54 C ATOM 1629 CG2 ILE A2111 -0.784 -7.148 -3.574 1.00 32.32 C ATOM 1630 CD1 ILE A2111 -2.986 -5.240 -2.896 1.00 24.12 C ATOM 0 H ILE A2111 -1.003 -5.787 -6.098 1.00 41.04 H new ATOM 0 HA ILE A2111 -1.292 -8.508 -5.686 1.00 33.51 H new ATOM 0 HB ILE A2111 -2.797 -7.784 -3.810 1.00 71.11 H new ATOM 0 HG12 ILE A2111 -2.096 -5.024 -4.847 1.00 51.54 H new ATOM 0 HG13 ILE A2111 -3.691 -5.750 -4.868 1.00 51.54 H new ATOM 0 HG21 ILE A2111 -0.935 -6.777 -2.560 1.00 32.32 H new ATOM 0 HG22 ILE A2111 -0.412 -8.172 -3.534 1.00 32.32 H new ATOM 0 HG23 ILE A2111 -0.057 -6.518 -4.087 1.00 32.32 H new ATOM 0 HD11 ILE A2111 -3.438 -4.248 -2.920 1.00 24.12 H new ATOM 0 HD12 ILE A2111 -3.656 -5.931 -2.384 1.00 24.12 H new ATOM 0 HD13 ILE A2111 -2.036 -5.193 -2.363 1.00 24.12 H new ATOM 1642 N SER A2112 -3.859 -7.178 -7.147 1.00 15.41 N ATOM 1643 CA SER A2112 -5.108 -7.476 -7.824 1.00 61.33 C ATOM 1644 C SER A2112 -4.825 -8.108 -9.188 1.00 73.44 C ATOM 1645 O SER A2112 -5.375 -9.160 -9.515 1.00 2.52 O ATOM 1646 CB SER A2112 -5.961 -6.215 -7.988 1.00 65.22 C ATOM 1647 OG SER A2112 -7.178 -6.480 -8.678 1.00 24.24 O ATOM 0 H SER A2112 -3.515 -6.228 -7.286 1.00 15.41 H new ATOM 0 HA SER A2112 -5.669 -8.183 -7.213 1.00 61.33 H new ATOM 0 HB2 SER A2112 -6.184 -5.798 -7.006 1.00 65.22 H new ATOM 0 HB3 SER A2112 -5.392 -5.461 -8.532 1.00 65.22 H new ATOM 0 HG SER A2112 -7.694 -5.651 -8.761 1.00 24.24 H new ATOM 1653 N LYS A2113 -3.973 -7.439 -9.951 1.00 31.05 N ATOM 1654 CA LYS A2113 -3.612 -7.922 -11.272 1.00 52.42 C ATOM 1655 C LYS A2113 -3.417 -9.437 -11.221 1.00 4.31 C ATOM 1656 O LYS A2113 -2.902 -9.968 -10.237 1.00 20.44 O ATOM 1657 CB LYS A2113 -2.394 -7.163 -11.805 1.00 74.52 C ATOM 1658 CG LYS A2113 -2.753 -6.369 -13.065 1.00 13.45 C ATOM 1659 CD LYS A2113 -2.069 -5.000 -13.063 1.00 73.01 C ATOM 1660 CE LYS A2113 -1.515 -4.662 -14.448 1.00 32.35 C ATOM 1661 NZ LYS A2113 -0.035 -4.644 -14.425 1.00 20.14 N ATOM 0 H LYS A2113 -3.522 -6.566 -9.679 1.00 31.05 H new ATOM 0 HA LYS A2113 -4.416 -7.728 -11.981 1.00 52.42 H new ATOM 0 HB2 LYS A2113 -2.018 -6.486 -11.038 1.00 74.52 H new ATOM 0 HB3 LYS A2113 -1.592 -7.866 -12.030 1.00 74.52 H new ATOM 0 HG2 LYS A2113 -2.452 -6.929 -13.950 1.00 13.45 H new ATOM 0 HG3 LYS A2113 -3.834 -6.240 -13.122 1.00 13.45 H new ATOM 0 HD2 LYS A2113 -2.781 -4.234 -12.755 1.00 73.01 H new ATOM 0 HD3 LYS A2113 -1.260 -4.995 -12.333 1.00 73.01 H new ATOM 0 HE2 LYS A2113 -1.864 -5.396 -15.175 1.00 32.35 H new ATOM 0 HE3 LYS A2113 -1.891 -3.691 -14.769 1.00 32.35 H new ATOM 0 HZ1 LYS A2113 0.324 -4.413 -15.373 1.00 20.14 H new ATOM 0 HZ2 LYS A2113 0.293 -3.927 -13.746 1.00 20.14 H new ATOM 0 HZ3 LYS A2113 0.319 -5.579 -14.139 1.00 20.14 H new