USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2085 CYS SG : rot -87:sc= 0.563 USER MOD Set 1.2: A2104 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A2026 MET CE :methyl 149:sc= -4.22 (180deg=-3.91!) USER MOD Set 2.2: A2057 MET CE :methyl -165:sc= -5.26 (180deg=-2.12) USER MOD Set 2.3: A2058 MET CE :methyl 143:sc= -16.3! (180deg=-15.5!) USER MOD Single : A2024 HIS : no HD1:sc= -7.18! C(o=-7.2!,f=-7.9!) USER MOD Single : A2028 HIS : no HE2:sc= -0.46 K(o=-0.46,f=-2.9!) 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= -2.6! C(o=-2.6!,f=-1.9!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -162:sc= -1.99! (180deg=-2.17) USER MOD Single : A2055 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-4.6!) USER MOD Single : A2063 GLN : amide:sc= -0.15 K(o=-0.15,f=-3.8!) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 68:sc= 0.604 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0652 X(o=-0.065,f=-0.098) USER MOD Single : A2072 GLN : amide:sc= -0.0325 K(o=-0.033,f=-1.3) USER MOD Single : A2074 TYR OH : rot 150:sc= -1.15 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.4!) USER MOD Single : A2087 LYS NZ :NH3+ 162:sc= 0.0146 (180deg=-0.11) USER MOD Single : A2088 TYR OH : rot 15:sc= -1.44 USER MOD Single : A2089 MET CE :methyl -109:sc= -6.71! (180deg=-11.1!) 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= -0.308 K(o=-0.31,f=-1.8!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 78:sc= 0.00284 USER MOD Single : A2099 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.0771 X(o=-0.077,f=-0.0083) USER MOD Single : A2112 SER OG : rot 54:sc= 0.478 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -7.911 -12.666 2.759 1.00 0.00 N ATOM 144 CA LEU A2022 -6.467 -12.840 2.763 1.00 0.00 C ATOM 145 C LEU A2022 -5.793 -11.481 2.964 1.00 0.00 C ATOM 146 O LEU A2022 -6.421 -10.539 3.445 1.00 0.00 O ATOM 147 CB LEU A2022 -6.013 -13.570 1.498 1.00 0.00 C ATOM 148 CG LEU A2022 -4.853 -14.553 1.672 1.00 0.00 C ATOM 149 CD1 LEU A2022 -5.367 -15.948 2.035 1.00 0.00 C ATOM 150 CD2 LEU A2022 -3.963 -14.575 0.427 1.00 0.00 C ATOM 0 HA LEU A2022 -6.162 -13.473 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A2022 -6.865 -14.113 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A2022 -5.724 -12.825 0.756 1.00 0.00 H new ATOM 0 HG LEU A2022 -4.236 -14.211 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A2022 -4.523 -16.627 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A2022 -5.926 -15.898 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A2022 -6.019 -16.313 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A2022 -3.146 -15.281 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A2022 -4.553 -14.880 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A2022 -3.555 -13.579 0.254 1.00 0.00 H new ATOM 162 N TRP A2023 -4.526 -11.423 2.584 1.00 0.00 N ATOM 163 CA TRP A2023 -3.761 -10.194 2.716 1.00 0.00 C ATOM 164 C TRP A2023 -4.276 -9.201 1.672 1.00 0.00 C ATOM 165 O TRP A2023 -4.628 -8.071 2.007 1.00 0.00 O ATOM 166 CB TRP A2023 -2.261 -10.468 2.592 1.00 0.00 C ATOM 167 CG TRP A2023 -1.555 -10.691 3.931 1.00 0.00 C ATOM 168 CD1 TRP A2023 -2.111 -10.937 5.125 1.00 0.00 C ATOM 169 CD2 TRP A2023 -0.132 -10.680 4.166 1.00 0.00 C ATOM 170 NE1 TRP A2023 -1.156 -11.084 6.109 1.00 0.00 N ATOM 171 CE2 TRP A2023 0.088 -10.923 5.506 1.00 0.00 C ATOM 172 CE3 TRP A2023 0.936 -10.473 3.275 1.00 0.00 C ATOM 173 CZ2 TRP A2023 1.366 -10.982 6.077 1.00 0.00 C ATOM 174 CZ3 TRP A2023 2.206 -10.534 3.860 1.00 0.00 C ATOM 175 CH2 TRP A2023 2.444 -10.776 5.207 1.00 0.00 C ATOM 0 H TRP A2023 -4.009 -12.207 2.185 1.00 0.00 H new ATOM 0 HA TRP A2023 -3.897 -9.759 3.706 1.00 0.00 H new ATOM 0 HB2 TRP A2023 -2.114 -11.347 1.965 1.00 0.00 H new ATOM 0 HB3 TRP A2023 -1.790 -9.629 2.080 1.00 0.00 H new ATOM 0 HD1 TRP A2023 -3.175 -11.011 5.296 1.00 0.00 H new ATOM 0 HE1 TRP A2023 -1.329 -11.275 7.096 1.00 0.00 H new ATOM 0 HE3 TRP A2023 0.788 -10.282 2.222 1.00 0.00 H new ATOM 0 HZ2 TRP A2023 1.512 -11.176 7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A2023 3.062 -10.382 3.219 1.00 0.00 H new ATOM 0 HH2 TRP A2023 3.456 -10.805 5.582 1.00 0.00 H new ATOM 186 N HIS A2024 -4.305 -9.660 0.430 1.00 0.00 N ATOM 187 CA HIS A2024 -4.772 -8.826 -0.665 1.00 0.00 C ATOM 188 C HIS A2024 -6.092 -8.160 -0.276 1.00 0.00 C ATOM 189 O HIS A2024 -6.451 -7.117 -0.820 1.00 0.00 O ATOM 190 CB HIS A2024 -4.876 -9.636 -1.959 1.00 0.00 C ATOM 191 CG HIS A2024 -3.784 -10.665 -2.127 1.00 0.00 C ATOM 192 ND1 HIS A2024 -4.040 -11.979 -2.484 1.00 0.00 N ATOM 193 CD2 HIS A2024 -2.430 -10.561 -1.988 1.00 0.00 C ATOM 194 CE1 HIS A2024 -2.886 -12.626 -2.551 1.00 0.00 C ATOM 195 NE2 HIS A2024 -1.891 -11.747 -2.242 1.00 0.00 N ATOM 0 H HIS A2024 -4.013 -10.598 0.157 1.00 0.00 H new ATOM 0 HA HIS A2024 -4.048 -8.034 -0.857 1.00 0.00 H new ATOM 0 HB2 HIS A2024 -5.843 -10.139 -1.984 1.00 0.00 H new ATOM 0 HB3 HIS A2024 -4.850 -8.952 -2.807 1.00 0.00 H new ATOM 0 HD2 HIS A2024 -1.889 -9.666 -1.717 1.00 0.00 H new ATOM 0 HE1 HIS A2024 -2.756 -13.667 -2.806 1.00 0.00 H new ATOM 0 HE2 HIS A2024 -0.895 -11.965 -2.211 1.00 0.00 H new ATOM 204 N GLU A2025 -6.781 -8.790 0.665 1.00 0.00 N ATOM 205 CA GLU A2025 -8.055 -8.271 1.134 1.00 0.00 C ATOM 206 C GLU A2025 -7.839 -7.001 1.959 1.00 0.00 C ATOM 207 O GLU A2025 -8.672 -6.095 1.940 1.00 0.00 O ATOM 208 CB GLU A2025 -8.814 -9.326 1.939 1.00 0.00 C ATOM 209 CG GLU A2025 -10.237 -8.860 2.252 1.00 0.00 C ATOM 210 CD GLU A2025 -10.583 -9.103 3.723 1.00 0.00 C ATOM 211 OE1 GLU A2025 -11.221 -10.115 4.050 1.00 0.00 O ATOM 212 OE2 GLU A2025 -10.164 -8.196 4.538 1.00 0.00 O ATOM 0 H GLU A2025 -6.481 -9.655 1.115 1.00 0.00 H new ATOM 0 HA GLU A2025 -8.664 -8.018 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A2025 -8.849 -10.260 1.379 1.00 0.00 H new ATOM 0 HB3 GLU A2025 -8.282 -9.531 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A2025 -10.335 -7.799 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A2025 -10.945 -9.390 1.616 1.00 0.00 H new ATOM 220 N MET A2026 -6.719 -6.976 2.664 1.00 0.00 N ATOM 221 CA MET A2026 -6.382 -5.831 3.496 1.00 0.00 C ATOM 222 C MET A2026 -5.873 -4.667 2.645 1.00 0.00 C ATOM 223 O MET A2026 -6.061 -3.505 3.000 1.00 0.00 O ATOM 224 CB MET A2026 -5.310 -6.234 4.508 1.00 0.00 C ATOM 225 CG MET A2026 -3.908 -6.017 3.937 1.00 0.00 C ATOM 226 SD MET A2026 -3.372 -4.343 4.253 1.00 0.00 S ATOM 227 CE MET A2026 -1.603 -4.559 4.146 1.00 0.00 C ATOM 0 H MET A2026 -6.032 -7.730 2.677 1.00 0.00 H new ATOM 0 HA MET A2026 -7.282 -5.507 4.019 1.00 0.00 H new ATOM 0 HB2 MET A2026 -5.429 -5.651 5.421 1.00 0.00 H new ATOM 0 HB3 MET A2026 -5.437 -7.282 4.780 1.00 0.00 H new ATOM 0 HG2 MET A2026 -3.210 -6.722 4.388 1.00 0.00 H new ATOM 0 HG3 MET A2026 -3.909 -6.211 2.864 1.00 0.00 H new ATOM 0 HE1 MET A2026 -1.146 -3.642 3.773 1.00 0.00 H new ATOM 0 HE2 MET A2026 -1.204 -4.787 5.134 1.00 0.00 H new ATOM 0 HE3 MET A2026 -1.377 -5.380 3.465 1.00 0.00 H new ATOM 237 N TRP A2027 -5.234 -5.021 1.538 1.00 0.00 N ATOM 238 CA TRP A2027 -4.695 -4.019 0.634 1.00 0.00 C ATOM 239 C TRP A2027 -5.868 -3.322 -0.056 1.00 0.00 C ATOM 240 O TRP A2027 -5.946 -2.094 -0.069 1.00 0.00 O ATOM 241 CB TRP A2027 -3.708 -4.645 -0.352 1.00 0.00 C ATOM 242 CG TRP A2027 -2.424 -5.169 0.298 1.00 0.00 C ATOM 243 CD1 TRP A2027 -2.266 -6.276 1.034 1.00 0.00 C ATOM 244 CD2 TRP A2027 -1.120 -4.557 0.238 1.00 0.00 C ATOM 245 NE1 TRP A2027 -0.959 -6.422 1.452 1.00 0.00 N ATOM 246 CE2 TRP A2027 -0.239 -5.343 0.953 1.00 0.00 C ATOM 247 CE3 TRP A2027 -0.696 -3.377 -0.399 1.00 0.00 C ATOM 248 CZ2 TRP A2027 1.119 -5.036 1.099 1.00 0.00 C ATOM 249 CZ3 TRP A2027 0.664 -3.083 -0.243 1.00 0.00 C ATOM 250 CH2 TRP A2027 1.562 -3.866 0.474 1.00 0.00 C ATOM 0 H TRP A2027 -5.078 -5.986 1.248 1.00 0.00 H new ATOM 0 HA TRP A2027 -4.123 -3.272 1.184 1.00 0.00 H new ATOM 0 HB2 TRP A2027 -4.201 -5.467 -0.871 1.00 0.00 H new ATOM 0 HB3 TRP A2027 -3.445 -3.904 -1.106 1.00 0.00 H new ATOM 0 HD1 TRP A2027 -3.061 -6.968 1.271 1.00 0.00 H new ATOM 0 HE1 TRP A2027 -0.589 -7.182 2.023 1.00 0.00 H new ATOM 0 HE3 TRP A2027 -1.367 -2.747 -0.964 1.00 0.00 H new ATOM 0 HZ2 TRP A2027 1.788 -5.668 1.664 1.00 0.00 H new ATOM 0 HZ3 TRP A2027 1.042 -2.186 -0.712 1.00 0.00 H new ATOM 0 HH2 TRP A2027 2.598 -3.571 0.548 1.00 0.00 H new ATOM 261 N HIS A2028 -6.754 -4.136 -0.612 1.00 0.00 N ATOM 262 CA HIS A2028 -7.921 -3.614 -1.303 1.00 0.00 C ATOM 263 C HIS A2028 -8.745 -2.755 -0.341 1.00 0.00 C ATOM 264 O HIS A2028 -8.961 -1.571 -0.590 1.00 0.00 O ATOM 265 CB HIS A2028 -8.733 -4.749 -1.930 1.00 0.00 C ATOM 266 CG HIS A2028 -8.684 -4.776 -3.440 1.00 0.00 C ATOM 267 ND1 HIS A2028 -9.654 -4.186 -4.232 1.00 0.00 N ATOM 268 CD2 HIS A2028 -7.774 -5.327 -4.292 1.00 0.00 C ATOM 269 CE1 HIS A2028 -9.331 -4.381 -5.503 1.00 0.00 C ATOM 270 NE2 HIS A2028 -8.165 -5.089 -5.537 1.00 0.00 N ATOM 0 H HIS A2028 -6.687 -5.154 -0.598 1.00 0.00 H new ATOM 0 HA HIS A2028 -7.605 -2.974 -2.127 1.00 0.00 H new ATOM 0 HB2 HIS A2028 -8.364 -5.701 -1.547 1.00 0.00 H new ATOM 0 HB3 HIS A2028 -9.772 -4.658 -1.612 1.00 0.00 H new ATOM 0 HD1 HIS A2028 -10.477 -3.686 -3.895 1.00 0.00 H new ATOM 0 HD2 HIS A2028 -6.884 -5.867 -4.002 1.00 0.00 H new ATOM 0 HE1 HIS A2028 -9.892 -4.040 -6.360 1.00 0.00 H new ATOM 279 N GLU A2029 -9.181 -3.388 0.738 1.00 0.00 N ATOM 280 CA GLU A2029 -9.978 -2.697 1.740 1.00 0.00 C ATOM 281 C GLU A2029 -9.160 -1.580 2.389 1.00 0.00 C ATOM 282 O GLU A2029 -9.696 -0.523 2.716 1.00 0.00 O ATOM 283 CB GLU A2029 -10.504 -3.675 2.791 1.00 0.00 C ATOM 284 CG GLU A2029 -9.368 -4.191 3.678 1.00 0.00 C ATOM 285 CD GLU A2029 -9.244 -3.353 4.952 1.00 0.00 C ATOM 286 OE1 GLU A2029 -10.153 -3.368 5.795 1.00 0.00 O ATOM 287 OE2 GLU A2029 -8.153 -2.669 5.050 1.00 0.00 O ATOM 0 H GLU A2029 -8.998 -4.371 0.941 1.00 0.00 H new ATOM 0 HA GLU A2029 -10.840 -2.249 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A2029 -11.256 -3.182 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A2029 -10.995 -4.514 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A2029 -9.551 -5.233 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A2029 -8.429 -4.161 3.126 1.00 0.00 H new ATOM 295 N GLY A2030 -7.874 -1.853 2.558 1.00 0.00 N ATOM 296 CA GLY A2030 -6.976 -0.885 3.164 1.00 0.00 C ATOM 297 C GLY A2030 -6.927 0.406 2.342 1.00 0.00 C ATOM 298 O GLY A2030 -7.326 1.466 2.821 1.00 0.00 O ATOM 0 H GLY A2030 -7.433 -2.731 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A2030 -7.306 -0.662 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A2030 -5.975 -1.310 3.241 1.00 0.00 H new ATOM 302 N LEU A2031 -6.433 0.272 1.120 1.00 0.00 N ATOM 303 CA LEU A2031 -6.326 1.415 0.227 1.00 0.00 C ATOM 304 C LEU A2031 -7.723 1.985 -0.034 1.00 0.00 C ATOM 305 O LEU A2031 -7.887 3.195 -0.175 1.00 0.00 O ATOM 306 CB LEU A2031 -5.571 1.031 -1.046 1.00 0.00 C ATOM 307 CG LEU A2031 -4.646 2.103 -1.626 1.00 0.00 C ATOM 308 CD1 LEU A2031 -3.619 2.559 -0.589 1.00 0.00 C ATOM 309 CD2 LEU A2031 -3.982 1.615 -2.915 1.00 0.00 C ATOM 0 H LEU A2031 -6.103 -0.609 0.727 1.00 0.00 H new ATOM 0 HA LEU A2031 -5.739 2.208 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A2031 -4.977 0.141 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A2031 -6.300 0.757 -1.809 1.00 0.00 H new ATOM 0 HG LEU A2031 -5.250 2.973 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A2031 -2.974 3.321 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A2031 -4.135 2.974 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A2031 -3.014 1.707 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A2031 -3.330 2.396 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A2031 -3.393 0.722 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A2031 -4.749 1.379 -3.653 1.00 0.00 H new ATOM 321 N GLU A2032 -8.693 1.084 -0.091 1.00 0.00 N ATOM 322 CA GLU A2032 -10.069 1.482 -0.333 1.00 0.00 C ATOM 323 C GLU A2032 -10.498 2.550 0.673 1.00 0.00 C ATOM 324 O GLU A2032 -11.101 3.554 0.298 1.00 0.00 O ATOM 325 CB GLU A2032 -11.006 0.272 -0.282 1.00 0.00 C ATOM 326 CG GLU A2032 -11.222 -0.315 -1.678 1.00 0.00 C ATOM 327 CD GLU A2032 -12.708 -0.327 -2.044 1.00 0.00 C ATOM 328 OE1 GLU A2032 -13.562 -0.502 -1.162 1.00 0.00 O ATOM 329 OE2 GLU A2032 -12.962 -0.147 -3.296 1.00 0.00 O ATOM 0 H GLU A2032 -8.553 0.080 0.026 1.00 0.00 H new ATOM 0 HA GLU A2032 -10.133 1.908 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A2032 -10.586 -0.490 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A2032 -11.965 0.568 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A2032 -10.668 0.270 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A2032 -10.827 -1.330 -1.715 1.00 0.00 H new ATOM 337 N GLU A2033 -10.170 2.299 1.932 1.00 0.00 N ATOM 338 CA GLU A2033 -10.513 3.228 2.995 1.00 0.00 C ATOM 339 C GLU A2033 -9.636 4.480 2.910 1.00 0.00 C ATOM 340 O GLU A2033 -10.145 5.598 2.929 1.00 0.00 O ATOM 341 CB GLU A2033 -10.386 2.562 4.367 1.00 0.00 C ATOM 342 CG GLU A2033 -11.431 3.110 5.340 1.00 0.00 C ATOM 343 CD GLU A2033 -11.764 2.081 6.423 1.00 0.00 C ATOM 344 OE1 GLU A2033 -11.720 0.869 6.162 1.00 0.00 O ATOM 345 OE2 GLU A2033 -12.079 2.579 7.571 1.00 0.00 O ATOM 0 H GLU A2033 -9.670 1.465 2.240 1.00 0.00 H new ATOM 0 HA GLU A2033 -11.553 3.528 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A2033 -10.509 1.484 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A2033 -9.386 2.732 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A2033 -11.058 4.023 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A2033 -12.337 3.376 4.795 1.00 0.00 H new ATOM 353 N ALA A2034 -8.336 4.247 2.816 1.00 0.00 N ATOM 354 CA ALA A2034 -7.384 5.341 2.728 1.00 0.00 C ATOM 355 C ALA A2034 -7.805 6.288 1.601 1.00 0.00 C ATOM 356 O ALA A2034 -7.876 7.499 1.797 1.00 0.00 O ATOM 357 CB ALA A2034 -5.976 4.779 2.522 1.00 0.00 C ATOM 0 H ALA A2034 -7.919 3.316 2.799 1.00 0.00 H new ATOM 0 HA ALA A2034 -7.373 5.915 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A2034 -5.262 5.600 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A2034 -5.714 4.137 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A2034 -5.947 4.199 1.600 1.00 0.00 H new ATOM 363 N SER A2035 -8.074 5.698 0.446 1.00 0.00 N ATOM 364 CA SER A2035 -8.485 6.473 -0.712 1.00 0.00 C ATOM 365 C SER A2035 -9.833 7.143 -0.441 1.00 0.00 C ATOM 366 O SER A2035 -9.978 8.350 -0.624 1.00 0.00 O ATOM 367 CB SER A2035 -8.572 5.593 -1.961 1.00 0.00 C ATOM 368 OG SER A2035 -8.010 6.232 -3.104 1.00 0.00 O ATOM 0 H SER A2035 -8.015 4.692 0.287 1.00 0.00 H new ATOM 0 HA SER A2035 -7.734 7.242 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A2035 -8.052 4.653 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A2035 -9.615 5.347 -2.159 1.00 0.00 H new ATOM 0 HG SER A2035 -8.083 5.638 -3.880 1.00 0.00 H new ATOM 374 N ARG A2036 -10.787 6.329 -0.009 1.00 0.00 N ATOM 375 CA ARG A2036 -12.118 6.829 0.289 1.00 0.00 C ATOM 376 C ARG A2036 -12.034 8.044 1.215 1.00 0.00 C ATOM 377 O ARG A2036 -12.658 9.072 0.955 1.00 0.00 O ATOM 378 CB ARG A2036 -12.975 5.749 0.953 1.00 0.00 C ATOM 379 CG ARG A2036 -14.441 6.181 1.025 1.00 0.00 C ATOM 380 CD ARG A2036 -14.786 6.721 2.414 1.00 0.00 C ATOM 381 NE ARG A2036 -16.117 7.367 2.389 1.00 0.00 N ATOM 382 CZ ARG A2036 -17.280 6.715 2.604 1.00 0.00 C ATOM 383 NH1 ARG A2036 -17.284 5.390 2.860 1.00 0.00 N ATOM 384 NH2 ARG A2036 -18.412 7.393 2.557 1.00 0.00 N ATOM 0 H ARG A2036 -10.664 5.328 0.141 1.00 0.00 H new ATOM 0 HA ARG A2036 -12.583 7.118 -0.654 1.00 0.00 H new ATOM 0 HB2 ARG A2036 -12.893 4.818 0.391 1.00 0.00 H new ATOM 0 HB3 ARG A2036 -12.601 5.549 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A2036 -14.635 6.947 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A2036 -15.085 5.334 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A2036 -14.780 5.909 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A2036 -14.030 7.439 2.732 1.00 0.00 H new ATOM 0 HE ARG A2036 -16.159 8.368 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A2036 -16.405 4.874 2.892 1.00 0.00 H new ATOM 0 HH12 ARG A2036 -18.166 4.904 3.021 1.00 0.00 H new ATOM 0 HH21 ARG A2036 -18.399 8.394 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A2036 -19.299 6.916 2.717 1.00 0.00 H new ATOM 396 N LEU A2037 -11.256 7.886 2.277 1.00 0.00 N ATOM 397 CA LEU A2037 -11.083 8.958 3.242 1.00 0.00 C ATOM 398 C LEU A2037 -10.235 10.069 2.619 1.00 0.00 C ATOM 399 O LEU A2037 -10.531 11.251 2.789 1.00 0.00 O ATOM 400 CB LEU A2037 -10.513 8.412 4.553 1.00 0.00 C ATOM 401 CG LEU A2037 -9.066 7.916 4.500 1.00 0.00 C ATOM 402 CD1 LEU A2037 -8.093 9.083 4.331 1.00 0.00 C ATOM 403 CD2 LEU A2037 -8.733 7.065 5.727 1.00 0.00 C ATOM 0 H LEU A2037 -10.739 7.033 2.490 1.00 0.00 H new ATOM 0 HA LEU A2037 -12.047 9.398 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A2037 -10.581 9.194 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A2037 -11.146 7.590 4.887 1.00 0.00 H new ATOM 0 HG LEU A2037 -8.956 7.276 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A2037 -7.072 8.703 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A2037 -8.316 9.611 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A2037 -8.197 9.768 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A2037 -7.699 6.725 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A2037 -8.865 7.661 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A2037 -9.397 6.201 5.762 1.00 0.00 H new ATOM 415 N TYR A2038 -9.197 9.649 1.910 1.00 0.00 N ATOM 416 CA TYR A2038 -8.304 10.594 1.260 1.00 0.00 C ATOM 417 C TYR A2038 -9.087 11.574 0.384 1.00 0.00 C ATOM 418 O TYR A2038 -8.987 12.788 0.562 1.00 0.00 O ATOM 419 CB TYR A2038 -7.382 9.758 0.371 1.00 0.00 C ATOM 420 CG TYR A2038 -6.506 10.587 -0.572 1.00 0.00 C ATOM 421 CD1 TYR A2038 -5.769 11.643 -0.077 1.00 0.00 C ATOM 422 CD2 TYR A2038 -6.453 10.279 -1.916 1.00 0.00 C ATOM 423 CE1 TYR A2038 -4.945 12.424 -0.961 1.00 0.00 C ATOM 424 CE2 TYR A2038 -5.629 11.060 -2.801 1.00 0.00 C ATOM 425 CZ TYR A2038 -4.916 12.093 -2.281 1.00 0.00 C ATOM 426 OH TYR A2038 -4.137 12.830 -3.118 1.00 0.00 O ATOM 0 H TYR A2038 -8.955 8.668 1.771 1.00 0.00 H new ATOM 0 HA TYR A2038 -7.756 11.177 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A2038 -6.739 9.147 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A2038 -7.989 9.073 -0.221 1.00 0.00 H new ATOM 0 HD1 TYR A2038 -5.811 11.884 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A2038 -7.030 9.452 -2.304 1.00 0.00 H new ATOM 0 HE1 TYR A2038 -4.363 13.253 -0.586 1.00 0.00 H new ATOM 0 HE2 TYR A2038 -5.579 10.830 -3.855 1.00 0.00 H new ATOM 0 HH TYR A2038 -4.214 12.479 -4.030 1.00 0.00 H new ATOM 501 N ASN A2043 -8.043 14.356 3.193 1.00 0.00 N ATOM 502 CA ASN A2043 -7.347 14.066 4.435 1.00 0.00 C ATOM 503 C ASN A2043 -6.504 12.802 4.260 1.00 0.00 C ATOM 504 O ASN A2043 -7.009 11.690 4.402 1.00 0.00 O ATOM 505 CB ASN A2043 -8.337 13.820 5.576 1.00 0.00 C ATOM 506 CG ASN A2043 -8.597 15.106 6.363 1.00 0.00 C ATOM 507 OD1 ASN A2043 -8.832 15.095 7.561 1.00 0.00 O ATOM 508 ND2 ASN A2043 -8.543 16.211 5.626 1.00 0.00 N ATOM 0 HA ASN A2043 -6.721 14.924 4.679 1.00 0.00 H new ATOM 0 HB2 ASN A2043 -9.276 13.440 5.172 1.00 0.00 H new ATOM 0 HB3 ASN A2043 -7.944 13.054 6.244 1.00 0.00 H new ATOM 0 HD21 ASN A2043 -8.703 17.121 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A2043 -8.341 16.149 4.628 1.00 0.00 H new ATOM 515 N VAL A2044 -5.232 13.015 3.952 1.00 0.00 N ATOM 516 CA VAL A2044 -4.314 11.906 3.755 1.00 0.00 C ATOM 517 C VAL A2044 -3.959 11.296 5.113 1.00 0.00 C ATOM 518 O VAL A2044 -3.432 10.187 5.180 1.00 0.00 O ATOM 519 CB VAL A2044 -3.088 12.376 2.972 1.00 0.00 C ATOM 520 CG1 VAL A2044 -3.496 13.253 1.787 1.00 0.00 C ATOM 521 CG2 VAL A2044 -2.102 13.110 3.883 1.00 0.00 C ATOM 0 H VAL A2044 -4.816 13.939 3.834 1.00 0.00 H new ATOM 0 HA VAL A2044 -4.783 11.123 3.160 1.00 0.00 H new ATOM 0 HB VAL A2044 -2.585 11.493 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A2044 -2.605 13.573 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A2044 -4.140 12.683 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A2044 -4.034 14.128 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A2044 -1.240 13.433 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A2044 -2.590 13.980 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A2044 -1.773 12.440 4.677 1.00 0.00 H new ATOM 531 N LYS A2045 -4.263 12.048 6.162 1.00 0.00 N ATOM 532 CA LYS A2045 -3.984 11.595 7.513 1.00 0.00 C ATOM 533 C LYS A2045 -4.524 10.174 7.692 1.00 0.00 C ATOM 534 O LYS A2045 -3.803 9.285 8.143 1.00 0.00 O ATOM 535 CB LYS A2045 -4.528 12.594 8.535 1.00 0.00 C ATOM 536 CG LYS A2045 -5.817 13.246 8.033 1.00 0.00 C ATOM 537 CD LYS A2045 -5.539 14.634 7.453 1.00 0.00 C ATOM 538 CE LYS A2045 -5.673 15.715 8.527 1.00 0.00 C ATOM 539 NZ LYS A2045 -4.507 16.626 8.495 1.00 0.00 N ATOM 0 H LYS A2045 -4.700 12.968 6.102 1.00 0.00 H new ATOM 0 HA LYS A2045 -2.909 11.551 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A2045 -4.718 12.085 9.480 1.00 0.00 H new ATOM 0 HB3 LYS A2045 -3.780 13.362 8.731 1.00 0.00 H new ATOM 0 HG2 LYS A2045 -6.275 12.615 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A2045 -6.531 13.327 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A2045 -4.535 14.660 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A2045 -6.234 14.838 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A2045 -6.590 16.283 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A2045 -5.752 15.251 9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A2045 -4.615 17.353 9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A2045 -3.637 16.083 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A2045 -4.449 17.083 7.562 1.00 0.00 H new ATOM 552 N GLY A2046 -5.786 10.006 7.331 1.00 0.00 N ATOM 553 CA GLY A2046 -6.433 8.709 7.447 1.00 0.00 C ATOM 554 C GLY A2046 -5.628 7.630 6.720 1.00 0.00 C ATOM 555 O GLY A2046 -5.363 6.566 7.279 1.00 0.00 O ATOM 0 H GLY A2046 -6.380 10.746 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A2046 -6.538 8.443 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A2046 -7.439 8.761 7.030 1.00 0.00 H new ATOM 559 N MET A2047 -5.262 7.941 5.485 1.00 0.00 N ATOM 560 CA MET A2047 -4.494 7.010 4.675 1.00 0.00 C ATOM 561 C MET A2047 -3.241 6.540 5.420 1.00 0.00 C ATOM 562 O MET A2047 -2.969 5.343 5.489 1.00 0.00 O ATOM 563 CB MET A2047 -4.084 7.689 3.368 1.00 0.00 C ATOM 564 CG MET A2047 -2.993 6.890 2.652 1.00 0.00 C ATOM 565 SD MET A2047 -2.244 7.886 1.374 1.00 0.00 S ATOM 566 CE MET A2047 -1.372 9.076 2.378 1.00 0.00 C ATOM 0 H MET A2047 -5.483 8.824 5.026 1.00 0.00 H new ATOM 0 HA MET A2047 -5.117 6.141 4.464 1.00 0.00 H new ATOM 0 HB2 MET A2047 -4.953 7.788 2.718 1.00 0.00 H new ATOM 0 HB3 MET A2047 -3.725 8.697 3.575 1.00 0.00 H new ATOM 0 HG2 MET A2047 -2.235 6.572 3.368 1.00 0.00 H new ATOM 0 HG3 MET A2047 -3.419 5.986 2.217 1.00 0.00 H new ATOM 0 HE1 MET A2047 -1.118 9.946 1.773 1.00 0.00 H new ATOM 0 HE2 MET A2047 -2.006 9.385 3.209 1.00 0.00 H new ATOM 0 HE3 MET A2047 -0.459 8.625 2.766 1.00 0.00 H new ATOM 576 N PHE A2048 -2.515 7.507 5.960 1.00 0.00 N ATOM 577 CA PHE A2048 -1.298 7.207 6.697 1.00 0.00 C ATOM 578 C PHE A2048 -1.594 6.306 7.898 1.00 0.00 C ATOM 579 O PHE A2048 -0.823 5.397 8.200 1.00 0.00 O ATOM 580 CB PHE A2048 -0.740 8.540 7.199 1.00 0.00 C ATOM 581 CG PHE A2048 0.132 9.274 6.179 1.00 0.00 C ATOM 582 CD1 PHE A2048 1.400 8.849 5.938 1.00 0.00 C ATOM 583 CD2 PHE A2048 -0.362 10.351 5.512 1.00 0.00 C ATOM 584 CE1 PHE A2048 2.211 9.529 4.990 1.00 0.00 C ATOM 585 CE2 PHE A2048 0.448 11.033 4.565 1.00 0.00 C ATOM 586 CZ PHE A2048 1.717 10.608 4.324 1.00 0.00 C ATOM 0 H PHE A2048 -2.745 8.499 5.902 1.00 0.00 H new ATOM 0 HA PHE A2048 -0.590 6.687 6.052 1.00 0.00 H new ATOM 0 HB2 PHE A2048 -1.571 9.186 7.483 1.00 0.00 H new ATOM 0 HB3 PHE A2048 -0.154 8.360 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A2048 1.792 7.993 6.468 1.00 0.00 H new ATOM 0 HD2 PHE A2048 -1.370 10.688 5.702 1.00 0.00 H new ATOM 0 HE1 PHE A2048 3.218 9.190 4.798 1.00 0.00 H new ATOM 0 HE2 PHE A2048 0.056 11.889 4.036 1.00 0.00 H new ATOM 0 HZ PHE A2048 2.333 11.127 3.604 1.00 0.00 H new ATOM 596 N GLU A2049 -2.712 6.590 8.549 1.00 0.00 N ATOM 597 CA GLU A2049 -3.118 5.817 9.710 1.00 0.00 C ATOM 598 C GLU A2049 -3.684 4.463 9.275 1.00 0.00 C ATOM 599 O GLU A2049 -3.838 3.559 10.094 1.00 0.00 O ATOM 600 CB GLU A2049 -4.134 6.588 10.556 1.00 0.00 C ATOM 601 CG GLU A2049 -3.586 7.962 10.951 1.00 0.00 C ATOM 602 CD GLU A2049 -4.676 8.821 11.597 1.00 0.00 C ATOM 603 OE1 GLU A2049 -5.447 8.321 12.430 1.00 0.00 O ATOM 604 OE2 GLU A2049 -4.707 10.049 11.203 1.00 0.00 O ATOM 0 H GLU A2049 -3.349 7.345 8.295 1.00 0.00 H new ATOM 0 HA GLU A2049 -2.238 5.641 10.329 1.00 0.00 H new ATOM 0 HB2 GLU A2049 -5.062 6.709 9.997 1.00 0.00 H new ATOM 0 HB3 GLU A2049 -4.375 6.017 11.453 1.00 0.00 H new ATOM 0 HG2 GLU A2049 -2.755 7.840 11.645 1.00 0.00 H new ATOM 0 HG3 GLU A2049 -3.193 8.468 10.069 1.00 0.00 H new ATOM 612 N VAL A2050 -3.978 4.367 7.987 1.00 0.00 N ATOM 613 CA VAL A2050 -4.523 3.140 7.432 1.00 0.00 C ATOM 614 C VAL A2050 -3.376 2.184 7.096 1.00 0.00 C ATOM 615 O VAL A2050 -3.444 0.994 7.403 1.00 0.00 O ATOM 616 CB VAL A2050 -5.408 3.458 6.226 1.00 0.00 C ATOM 617 CG1 VAL A2050 -5.684 2.198 5.401 1.00 0.00 C ATOM 618 CG2 VAL A2050 -6.714 4.122 6.666 1.00 0.00 C ATOM 0 H VAL A2050 -3.849 5.120 7.311 1.00 0.00 H new ATOM 0 HA VAL A2050 -5.160 2.641 8.162 1.00 0.00 H new ATOM 0 HB VAL A2050 -4.870 4.163 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A2050 -6.315 2.452 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A2050 -4.741 1.784 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A2050 -6.192 1.460 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A2050 -7.326 4.338 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A2050 -7.257 3.451 7.331 1.00 0.00 H new ATOM 0 HG23 VAL A2050 -6.491 5.051 7.191 1.00 0.00 H new ATOM 628 N LEU A2051 -2.350 2.740 6.470 1.00 0.00 N ATOM 629 CA LEU A2051 -1.189 1.953 6.088 1.00 0.00 C ATOM 630 C LEU A2051 -0.332 1.683 7.326 1.00 0.00 C ATOM 631 O LEU A2051 0.116 0.557 7.543 1.00 0.00 O ATOM 632 CB LEU A2051 -0.428 2.636 4.950 1.00 0.00 C ATOM 633 CG LEU A2051 -1.213 2.855 3.656 1.00 0.00 C ATOM 634 CD1 LEU A2051 -2.709 2.619 3.874 1.00 0.00 C ATOM 635 CD2 LEU A2051 -0.930 4.241 3.071 1.00 0.00 C ATOM 0 H LEU A2051 -2.298 3.727 6.217 1.00 0.00 H new ATOM 0 HA LEU A2051 -1.498 0.984 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A2051 -0.074 3.604 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A2051 0.454 2.039 4.720 1.00 0.00 H new ATOM 0 HG LEU A2051 -0.876 2.121 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A2051 -3.243 2.782 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A2051 -2.871 1.595 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A2051 -3.080 3.312 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A2051 -1.500 4.371 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A2051 -1.222 5.006 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A2051 0.134 4.334 2.854 1.00 0.00 H new ATOM 647 N GLU A2052 -0.129 2.733 8.108 1.00 0.00 N ATOM 648 CA GLU A2052 0.666 2.622 9.319 1.00 0.00 C ATOM 649 C GLU A2052 0.446 1.258 9.976 1.00 0.00 C ATOM 650 O GLU A2052 1.398 0.513 10.199 1.00 0.00 O ATOM 651 CB GLU A2052 0.344 3.759 10.291 1.00 0.00 C ATOM 652 CG GLU A2052 1.491 4.768 10.354 1.00 0.00 C ATOM 653 CD GLU A2052 2.565 4.316 11.346 1.00 0.00 C ATOM 654 OE1 GLU A2052 2.785 3.106 11.512 1.00 0.00 O ATOM 655 OE2 GLU A2052 3.183 5.271 11.955 1.00 0.00 O ATOM 0 H GLU A2052 -0.501 3.665 7.926 1.00 0.00 H new ATOM 0 HA GLU A2052 1.719 2.706 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A2052 -0.571 4.262 9.977 1.00 0.00 H new ATOM 0 HB3 GLU A2052 0.159 3.351 11.285 1.00 0.00 H new ATOM 0 HG2 GLU A2052 1.932 4.885 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A2052 1.106 5.744 10.649 1.00 0.00 H new ATOM 663 N PRO A2053 -0.848 0.967 10.276 1.00 0.00 N ATOM 664 CA PRO A2053 -1.205 -0.293 10.903 1.00 0.00 C ATOM 665 C PRO A2053 -1.143 -1.445 9.896 1.00 0.00 C ATOM 666 O PRO A2053 -0.499 -2.461 10.150 1.00 0.00 O ATOM 667 CB PRO A2053 -2.600 -0.073 11.466 1.00 0.00 C ATOM 668 CG PRO A2053 -3.156 1.140 10.735 1.00 0.00 C ATOM 669 CD PRO A2053 -2.002 1.827 10.027 1.00 0.00 C ATOM 0 HA PRO A2053 -0.511 -0.579 11.693 1.00 0.00 H new ATOM 0 HB2 PRO A2053 -3.229 -0.949 11.305 1.00 0.00 H new ATOM 0 HB3 PRO A2053 -2.565 0.101 12.541 1.00 0.00 H new ATOM 0 HG2 PRO A2053 -3.918 0.837 10.017 1.00 0.00 H new ATOM 0 HG3 PRO A2053 -3.634 1.823 11.437 1.00 0.00 H new ATOM 0 HD2 PRO A2053 -2.197 1.929 8.959 1.00 0.00 H new ATOM 0 HD3 PRO A2053 -1.839 2.831 10.418 1.00 0.00 H new ATOM 677 N LEU A2054 -1.820 -1.245 8.775 1.00 0.00 N ATOM 678 CA LEU A2054 -1.850 -2.253 7.730 1.00 0.00 C ATOM 679 C LEU A2054 -0.422 -2.720 7.437 1.00 0.00 C ATOM 680 O LEU A2054 -0.123 -3.909 7.531 1.00 0.00 O ATOM 681 CB LEU A2054 -2.588 -1.725 6.498 1.00 0.00 C ATOM 682 CG LEU A2054 -4.115 -1.718 6.584 1.00 0.00 C ATOM 683 CD1 LEU A2054 -4.739 -1.313 5.247 1.00 0.00 C ATOM 684 CD2 LEU A2054 -4.643 -3.068 7.076 1.00 0.00 C ATOM 0 H LEU A2054 -2.352 -0.400 8.568 1.00 0.00 H new ATOM 0 HA LEU A2054 -2.411 -3.127 8.060 1.00 0.00 H new ATOM 0 HB2 LEU A2054 -2.250 -0.707 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A2054 -2.295 -2.327 5.638 1.00 0.00 H new ATOM 0 HG LEU A2054 -4.411 -0.968 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A2054 -5.825 -1.316 5.337 1.00 0.00 H new ATOM 0 HD12 LEU A2054 -4.400 -0.313 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A2054 -4.436 -2.021 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A2054 -5.731 -3.036 7.128 1.00 0.00 H new ATOM 0 HD22 LEU A2054 -4.336 -3.853 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A2054 -4.238 -3.278 8.066 1.00 0.00 H new ATOM 696 N HIS A2055 0.421 -1.760 7.087 1.00 0.00 N ATOM 697 CA HIS A2055 1.810 -2.057 6.781 1.00 0.00 C ATOM 698 C HIS A2055 2.473 -2.715 7.992 1.00 0.00 C ATOM 699 O HIS A2055 3.074 -3.783 7.872 1.00 0.00 O ATOM 700 CB HIS A2055 2.545 -0.800 6.313 1.00 0.00 C ATOM 701 CG HIS A2055 2.189 -0.366 4.911 1.00 0.00 C ATOM 702 ND1 HIS A2055 2.449 0.905 4.430 1.00 0.00 N ATOM 703 CD2 HIS A2055 1.595 -1.049 3.891 1.00 0.00 C ATOM 704 CE1 HIS A2055 2.024 0.974 3.177 1.00 0.00 C ATOM 705 NE2 HIS A2055 1.495 -0.239 2.845 1.00 0.00 N ATOM 0 H HIS A2055 0.169 -0.775 7.008 1.00 0.00 H new ATOM 0 HA HIS A2055 1.860 -2.765 5.954 1.00 0.00 H new ATOM 0 HB2 HIS A2055 2.324 0.015 7.002 1.00 0.00 H new ATOM 0 HB3 HIS A2055 3.619 -0.979 6.365 1.00 0.00 H new ATOM 0 HD2 HIS A2055 1.262 -2.076 3.928 1.00 0.00 H new ATOM 0 HE1 HIS A2055 2.085 1.838 2.532 1.00 0.00 H new ATOM 0 HE2 HIS A2055 1.089 -0.483 1.941 1.00 0.00 H new ATOM 714 N ALA A2056 2.341 -2.053 9.132 1.00 0.00 N ATOM 715 CA ALA A2056 2.920 -2.561 10.364 1.00 0.00 C ATOM 716 C ALA A2056 2.494 -4.017 10.560 1.00 0.00 C ATOM 717 O ALA A2056 3.331 -4.884 10.806 1.00 0.00 O ATOM 718 CB ALA A2056 2.499 -1.668 11.533 1.00 0.00 C ATOM 0 H ALA A2056 1.841 -1.169 9.228 1.00 0.00 H new ATOM 0 HA ALA A2056 4.009 -2.540 10.313 1.00 0.00 H new ATOM 0 HB1 ALA A2056 2.933 -2.049 12.457 1.00 0.00 H new ATOM 0 HB2 ALA A2056 2.851 -0.651 11.359 1.00 0.00 H new ATOM 0 HB3 ALA A2056 1.412 -1.666 11.617 1.00 0.00 H new ATOM 724 N MET A2057 1.194 -4.241 10.443 1.00 0.00 N ATOM 725 CA MET A2057 0.648 -5.578 10.605 1.00 0.00 C ATOM 726 C MET A2057 1.397 -6.585 9.730 1.00 0.00 C ATOM 727 O MET A2057 1.637 -7.718 10.149 1.00 0.00 O ATOM 728 CB MET A2057 -0.834 -5.574 10.223 1.00 0.00 C ATOM 729 CG MET A2057 -1.086 -6.444 8.990 1.00 0.00 C ATOM 730 SD MET A2057 -2.828 -6.461 8.601 1.00 0.00 S ATOM 731 CE MET A2057 -2.754 -6.897 6.871 1.00 0.00 C ATOM 0 H MET A2057 0.503 -3.520 10.238 1.00 0.00 H new ATOM 0 HA MET A2057 0.763 -5.874 11.648 1.00 0.00 H new ATOM 0 HB2 MET A2057 -1.429 -5.941 11.059 1.00 0.00 H new ATOM 0 HB3 MET A2057 -1.159 -4.553 10.024 1.00 0.00 H new ATOM 0 HG2 MET A2057 -0.519 -6.060 8.142 1.00 0.00 H new ATOM 0 HG3 MET A2057 -0.736 -7.460 9.174 1.00 0.00 H new ATOM 0 HE1 MET A2057 -3.718 -6.695 6.403 1.00 0.00 H new ATOM 0 HE2 MET A2057 -1.981 -6.306 6.380 1.00 0.00 H new ATOM 0 HE3 MET A2057 -2.518 -7.957 6.773 1.00 0.00 H new ATOM 741 N MET A2058 1.744 -6.140 8.532 1.00 0.00 N ATOM 742 CA MET A2058 2.461 -6.988 7.596 1.00 0.00 C ATOM 743 C MET A2058 3.900 -7.222 8.059 1.00 0.00 C ATOM 744 O MET A2058 4.485 -8.266 7.775 1.00 0.00 O ATOM 745 CB MET A2058 2.470 -6.331 6.214 1.00 0.00 C ATOM 746 CG MET A2058 1.079 -6.378 5.577 1.00 0.00 C ATOM 747 SD MET A2058 0.913 -7.853 4.585 1.00 0.00 S ATOM 748 CE MET A2058 -0.867 -7.957 4.481 1.00 0.00 C ATOM 0 H MET A2058 1.542 -5.202 8.188 1.00 0.00 H new ATOM 0 HA MET A2058 1.954 -7.951 7.547 1.00 0.00 H new ATOM 0 HB2 MET A2058 2.799 -5.296 6.301 1.00 0.00 H new ATOM 0 HB3 MET A2058 3.187 -6.840 5.570 1.00 0.00 H new ATOM 0 HG2 MET A2058 0.314 -6.363 6.353 1.00 0.00 H new ATOM 0 HG3 MET A2058 0.923 -5.494 4.959 1.00 0.00 H new ATOM 0 HE1 MET A2058 -1.153 -8.314 3.492 1.00 0.00 H new ATOM 0 HE2 MET A2058 -1.236 -8.650 5.237 1.00 0.00 H new ATOM 0 HE3 MET A2058 -1.300 -6.971 4.650 1.00 0.00 H new ATOM 758 N GLU A2059 4.429 -6.232 8.764 1.00 0.00 N ATOM 759 CA GLU A2059 5.789 -6.317 9.268 1.00 0.00 C ATOM 760 C GLU A2059 5.840 -7.214 10.507 1.00 0.00 C ATOM 761 O GLU A2059 6.485 -8.262 10.494 1.00 0.00 O ATOM 762 CB GLU A2059 6.348 -4.926 9.576 1.00 0.00 C ATOM 763 CG GLU A2059 5.919 -3.916 8.509 1.00 0.00 C ATOM 764 CD GLU A2059 6.996 -2.849 8.300 1.00 0.00 C ATOM 765 OE1 GLU A2059 7.111 -1.917 9.112 1.00 0.00 O ATOM 766 OE2 GLU A2059 7.730 -3.013 7.253 1.00 0.00 O ATOM 0 H GLU A2059 3.940 -5.368 8.998 1.00 0.00 H new ATOM 0 HA GLU A2059 6.415 -6.761 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A2059 5.998 -4.598 10.555 1.00 0.00 H new ATOM 0 HB3 GLU A2059 7.436 -4.970 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A2059 5.728 -4.434 7.569 1.00 0.00 H new ATOM 0 HG3 GLU A2059 4.984 -3.441 8.807 1.00 0.00 H new ATOM 774 N ARG A2060 5.152 -6.769 11.549 1.00 0.00 N ATOM 775 CA ARG A2060 5.111 -7.519 12.793 1.00 0.00 C ATOM 776 C ARG A2060 4.231 -8.762 12.636 1.00 0.00 C ATOM 777 O ARG A2060 4.364 -9.721 13.395 1.00 0.00 O ATOM 778 CB ARG A2060 4.568 -6.660 13.936 1.00 0.00 C ATOM 779 CG ARG A2060 3.107 -6.277 13.689 1.00 0.00 C ATOM 780 CD ARG A2060 2.611 -5.295 14.751 1.00 0.00 C ATOM 781 NE ARG A2060 1.150 -5.444 14.934 1.00 0.00 N ATOM 782 CZ ARG A2060 0.369 -4.539 15.563 1.00 0.00 C ATOM 783 NH1 ARG A2060 0.904 -3.411 16.075 1.00 0.00 N ATOM 784 NH2 ARG A2060 -0.925 -4.773 15.668 1.00 0.00 N ATOM 0 H ARG A2060 4.619 -5.899 11.557 1.00 0.00 H new ATOM 0 HA ARG A2060 6.131 -7.820 13.032 1.00 0.00 H new ATOM 0 HB2 ARG A2060 4.651 -7.205 14.876 1.00 0.00 H new ATOM 0 HB3 ARG A2060 5.172 -5.758 14.036 1.00 0.00 H new ATOM 0 HG2 ARG A2060 3.007 -5.830 12.700 1.00 0.00 H new ATOM 0 HG3 ARG A2060 2.486 -7.173 13.698 1.00 0.00 H new ATOM 0 HD2 ARG A2060 3.125 -5.477 15.695 1.00 0.00 H new ATOM 0 HD3 ARG A2060 2.846 -4.274 14.452 1.00 0.00 H new ATOM 0 HE ARG A2060 0.705 -6.283 14.562 1.00 0.00 H new ATOM 0 HH11 ARG A2060 1.905 -3.237 15.989 1.00 0.00 H new ATOM 0 HH12 ARG A2060 0.307 -2.733 16.548 1.00 0.00 H new ATOM 0 HH21 ARG A2060 -1.322 -5.627 15.277 1.00 0.00 H new ATOM 0 HH22 ARG A2060 -1.528 -4.100 16.140 1.00 0.00 H new ATOM 796 N GLY A2061 3.353 -8.704 11.646 1.00 0.00 N ATOM 797 CA GLY A2061 2.453 -9.813 11.380 1.00 0.00 C ATOM 798 C GLY A2061 2.737 -10.434 10.011 1.00 0.00 C ATOM 799 O GLY A2061 2.097 -10.085 9.021 1.00 0.00 O ATOM 0 H GLY A2061 3.246 -7.907 11.019 1.00 0.00 H new ATOM 0 HA2 GLY A2061 2.564 -10.570 12.157 1.00 0.00 H new ATOM 0 HA3 GLY A2061 1.421 -9.465 11.418 1.00 0.00 H new ATOM 803 N PRO A2062 3.726 -11.369 10.000 1.00 0.00 N ATOM 804 CA PRO A2062 4.103 -12.042 8.769 1.00 0.00 C ATOM 805 C PRO A2062 3.060 -13.090 8.375 1.00 0.00 C ATOM 806 O PRO A2062 1.927 -13.053 8.852 1.00 0.00 O ATOM 807 CB PRO A2062 5.471 -12.643 9.053 1.00 0.00 C ATOM 808 CG PRO A2062 5.602 -12.683 10.568 1.00 0.00 C ATOM 809 CD PRO A2062 4.506 -11.807 11.154 1.00 0.00 C ATOM 0 HA PRO A2062 4.149 -11.365 7.916 1.00 0.00 H new ATOM 0 HB2 PRO A2062 5.554 -13.643 8.627 1.00 0.00 H new ATOM 0 HB3 PRO A2062 6.263 -12.040 8.608 1.00 0.00 H new ATOM 0 HG2 PRO A2062 5.509 -13.706 10.932 1.00 0.00 H new ATOM 0 HG3 PRO A2062 6.584 -12.323 10.876 1.00 0.00 H new ATOM 0 HD2 PRO A2062 3.890 -12.363 11.861 1.00 0.00 H new ATOM 0 HD3 PRO A2062 4.924 -10.958 11.695 1.00 0.00 H new ATOM 817 N GLN A2063 3.480 -14.000 7.509 1.00 0.00 N ATOM 818 CA GLN A2063 2.596 -15.056 7.044 1.00 0.00 C ATOM 819 C GLN A2063 3.378 -16.358 6.859 1.00 0.00 C ATOM 820 O GLN A2063 3.309 -17.254 7.701 1.00 0.00 O ATOM 821 CB GLN A2063 1.891 -14.650 5.748 1.00 0.00 C ATOM 822 CG GLN A2063 0.376 -14.577 5.949 1.00 0.00 C ATOM 823 CD GLN A2063 -0.289 -15.906 5.588 1.00 0.00 C ATOM 824 OE1 GLN A2063 0.346 -16.850 5.146 1.00 0.00 O ATOM 825 NE2 GLN A2063 -1.603 -15.930 5.800 1.00 0.00 N ATOM 0 H GLN A2063 4.421 -14.028 7.117 1.00 0.00 H new ATOM 0 HA GLN A2063 1.828 -15.220 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A2063 2.264 -13.682 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A2063 2.123 -15.369 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A2063 0.155 -14.325 6.986 1.00 0.00 H new ATOM 0 HG3 GLN A2063 -0.038 -13.779 5.332 1.00 0.00 H new ATOM 0 HE21 GLN A2063 -2.075 -15.106 6.172 1.00 0.00 H new ATOM 0 HE22 GLN A2063 -2.138 -16.773 5.590 1.00 0.00 H new ATOM 834 N THR A2064 4.103 -16.424 5.752 1.00 0.00 N ATOM 835 CA THR A2064 4.896 -17.603 5.446 1.00 0.00 C ATOM 836 C THR A2064 5.916 -17.288 4.349 1.00 0.00 C ATOM 837 O THR A2064 5.906 -16.197 3.782 1.00 0.00 O ATOM 838 CB THR A2064 3.936 -18.735 5.076 1.00 0.00 C ATOM 839 OG1 THR A2064 4.793 -19.794 4.657 1.00 0.00 O ATOM 840 CG2 THR A2064 3.104 -18.415 3.833 1.00 0.00 C ATOM 0 H THR A2064 4.158 -15.680 5.056 1.00 0.00 H new ATOM 0 HA THR A2064 5.481 -17.922 6.309 1.00 0.00 H new ATOM 0 HB THR A2064 3.271 -18.935 5.916 1.00 0.00 H new ATOM 0 HG1 THR A2064 4.252 -20.570 4.400 1.00 0.00 H new ATOM 0 HG21 THR A2064 2.440 -19.251 3.615 1.00 0.00 H new ATOM 0 HG22 THR A2064 2.511 -17.518 4.013 1.00 0.00 H new ATOM 0 HG23 THR A2064 3.767 -18.247 2.984 1.00 0.00 H new ATOM 848 N LEU A2065 6.771 -18.265 4.084 1.00 0.00 N ATOM 849 CA LEU A2065 7.795 -18.106 3.066 1.00 0.00 C ATOM 850 C LEU A2065 7.131 -17.784 1.726 1.00 0.00 C ATOM 851 O LEU A2065 7.707 -17.081 0.897 1.00 0.00 O ATOM 852 CB LEU A2065 8.701 -19.337 3.022 1.00 0.00 C ATOM 853 CG LEU A2065 10.179 -19.095 3.347 1.00 0.00 C ATOM 854 CD1 LEU A2065 10.788 -18.068 2.392 1.00 0.00 C ATOM 855 CD2 LEU A2065 10.357 -18.694 4.813 1.00 0.00 C ATOM 0 H LEU A2065 6.775 -19.169 4.556 1.00 0.00 H new ATOM 0 HA LEU A2065 8.447 -17.267 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A2065 8.312 -20.075 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A2065 8.636 -19.776 2.027 1.00 0.00 H new ATOM 0 HG LEU A2065 10.721 -20.029 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A2065 11.837 -17.914 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A2065 10.710 -18.433 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A2065 10.251 -17.124 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A2065 11.414 -18.528 5.019 1.00 0.00 H new ATOM 0 HD22 LEU A2065 9.801 -17.778 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A2065 9.983 -19.491 5.456 1.00 0.00 H new ATOM 867 N LYS A2066 5.929 -18.313 1.556 1.00 0.00 N ATOM 868 CA LYS A2066 5.180 -18.091 0.330 1.00 0.00 C ATOM 869 C LYS A2066 4.777 -16.618 0.244 1.00 0.00 C ATOM 870 O LYS A2066 4.712 -16.050 -0.846 1.00 0.00 O ATOM 871 CB LYS A2066 3.998 -19.057 0.242 1.00 0.00 C ATOM 872 CG LYS A2066 3.386 -19.049 -1.160 1.00 0.00 C ATOM 873 CD LYS A2066 1.888 -18.745 -1.102 1.00 0.00 C ATOM 874 CE LYS A2066 1.366 -18.287 -2.466 1.00 0.00 C ATOM 875 NZ LYS A2066 0.691 -16.975 -2.349 1.00 0.00 N ATOM 0 H LYS A2066 5.454 -18.895 2.246 1.00 0.00 H new ATOM 0 HA LYS A2066 5.801 -18.304 -0.540 1.00 0.00 H new ATOM 0 HB2 LYS A2066 4.328 -20.065 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A2066 3.241 -18.778 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A2066 3.889 -18.303 -1.776 1.00 0.00 H new ATOM 0 HG3 LYS A2066 3.546 -20.016 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A2066 1.345 -19.634 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A2066 1.699 -17.971 -0.358 1.00 0.00 H new ATOM 0 HE2 LYS A2066 2.193 -18.216 -3.173 1.00 0.00 H new ATOM 0 HE3 LYS A2066 0.670 -19.026 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A2066 0.343 -16.679 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A2066 -0.110 -17.054 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A2066 1.365 -16.269 -1.991 1.00 0.00 H new ATOM 888 N GLU A2067 4.517 -16.039 1.409 1.00 0.00 N ATOM 889 CA GLU A2067 4.122 -14.642 1.479 1.00 0.00 C ATOM 890 C GLU A2067 5.359 -13.744 1.545 1.00 0.00 C ATOM 891 O GLU A2067 5.285 -12.556 1.234 1.00 0.00 O ATOM 892 CB GLU A2067 3.199 -14.393 2.672 1.00 0.00 C ATOM 893 CG GLU A2067 1.755 -14.178 2.213 1.00 0.00 C ATOM 894 CD GLU A2067 1.644 -12.941 1.318 1.00 0.00 C ATOM 895 OE1 GLU A2067 2.311 -11.929 1.573 1.00 0.00 O ATOM 896 OE2 GLU A2067 0.828 -13.059 0.325 1.00 0.00 O ATOM 0 H GLU A2067 4.572 -16.512 2.311 1.00 0.00 H new ATOM 0 HA GLU A2067 3.566 -14.395 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A2067 3.245 -15.241 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A2067 3.542 -13.519 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A2067 1.407 -15.057 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A2067 1.107 -14.063 3.082 1.00 0.00 H new ATOM 904 N THR A2068 6.467 -14.346 1.952 1.00 0.00 N ATOM 905 CA THR A2068 7.718 -13.615 2.064 1.00 0.00 C ATOM 906 C THR A2068 8.052 -12.924 0.739 1.00 0.00 C ATOM 907 O THR A2068 8.552 -11.801 0.731 1.00 0.00 O ATOM 908 CB THR A2068 8.798 -14.595 2.527 1.00 0.00 C ATOM 909 OG1 THR A2068 8.493 -14.823 3.900 1.00 0.00 O ATOM 910 CG2 THR A2068 10.190 -13.961 2.555 1.00 0.00 C ATOM 0 H THR A2068 6.524 -15.332 2.208 1.00 0.00 H new ATOM 0 HA THR A2068 7.645 -12.816 2.802 1.00 0.00 H new ATOM 0 HB THR A2068 8.808 -15.463 1.868 1.00 0.00 H new ATOM 0 HG1 THR A2068 7.647 -15.312 3.970 1.00 0.00 H new ATOM 0 HG21 THR A2068 10.919 -14.699 2.890 1.00 0.00 H new ATOM 0 HG22 THR A2068 10.454 -13.619 1.554 1.00 0.00 H new ATOM 0 HG23 THR A2068 10.190 -13.113 3.240 1.00 0.00 H new ATOM 918 N SER A2069 7.761 -13.626 -0.347 1.00 0.00 N ATOM 919 CA SER A2069 8.024 -13.093 -1.673 1.00 0.00 C ATOM 920 C SER A2069 7.130 -11.879 -1.936 1.00 0.00 C ATOM 921 O SER A2069 7.538 -10.941 -2.620 1.00 0.00 O ATOM 922 CB SER A2069 7.802 -14.160 -2.747 1.00 0.00 C ATOM 923 OG SER A2069 8.665 -15.280 -2.573 1.00 0.00 O ATOM 0 H SER A2069 7.346 -14.558 -0.336 1.00 0.00 H new ATOM 0 HA SER A2069 9.068 -12.782 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A2069 6.765 -14.494 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A2069 7.969 -13.723 -3.732 1.00 0.00 H new ATOM 0 HG SER A2069 8.491 -15.939 -3.277 1.00 0.00 H new ATOM 929 N PHE A2070 5.929 -11.938 -1.381 1.00 0.00 N ATOM 930 CA PHE A2070 4.974 -10.855 -1.547 1.00 0.00 C ATOM 931 C PHE A2070 5.470 -9.578 -0.866 1.00 0.00 C ATOM 932 O PHE A2070 5.549 -8.525 -1.496 1.00 0.00 O ATOM 933 CB PHE A2070 3.670 -11.301 -0.883 1.00 0.00 C ATOM 934 CG PHE A2070 2.409 -10.843 -1.617 1.00 0.00 C ATOM 935 CD1 PHE A2070 2.060 -11.427 -2.795 1.00 0.00 C ATOM 936 CD2 PHE A2070 1.637 -9.854 -1.093 1.00 0.00 C ATOM 937 CE1 PHE A2070 0.888 -11.003 -3.477 1.00 0.00 C ATOM 938 CE2 PHE A2070 0.466 -9.430 -1.774 1.00 0.00 C ATOM 939 CZ PHE A2070 0.117 -10.013 -2.952 1.00 0.00 C ATOM 0 H PHE A2070 5.595 -12.719 -0.816 1.00 0.00 H new ATOM 0 HA PHE A2070 4.837 -10.640 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A2070 3.663 -12.389 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A2070 3.644 -10.917 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A2070 2.673 -12.212 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A2070 1.915 -9.391 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A2070 0.609 -11.467 -4.412 1.00 0.00 H new ATOM 0 HE2 PHE A2070 -0.147 -8.645 -1.357 1.00 0.00 H new ATOM 0 HZ PHE A2070 -0.773 -9.690 -3.471 1.00 0.00 H new ATOM 949 N ASN A2071 5.789 -9.714 0.413 1.00 0.00 N ATOM 950 CA ASN A2071 6.274 -8.583 1.186 1.00 0.00 C ATOM 951 C ASN A2071 7.582 -8.077 0.578 1.00 0.00 C ATOM 952 O ASN A2071 7.897 -6.891 0.670 1.00 0.00 O ATOM 953 CB ASN A2071 6.553 -8.988 2.637 1.00 0.00 C ATOM 954 CG ASN A2071 6.579 -7.762 3.553 1.00 0.00 C ATOM 955 OD1 ASN A2071 6.703 -6.631 3.115 1.00 0.00 O ATOM 956 ND2 ASN A2071 6.452 -8.052 4.845 1.00 0.00 N ATOM 0 H ASN A2071 5.721 -10.589 0.933 1.00 0.00 H new ATOM 0 HA ASN A2071 5.507 -7.808 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A2071 5.787 -9.685 2.978 1.00 0.00 H new ATOM 0 HB3 ASN A2071 7.508 -9.510 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A2071 6.455 -7.304 5.538 1.00 0.00 H new ATOM 0 HD22 ASN A2071 6.352 -9.023 5.142 1.00 0.00 H new ATOM 963 N GLN A2072 8.311 -9.001 -0.033 1.00 0.00 N ATOM 964 CA GLN A2072 9.578 -8.662 -0.657 1.00 0.00 C ATOM 965 C GLN A2072 9.340 -7.996 -2.015 1.00 0.00 C ATOM 966 O GLN A2072 9.999 -7.015 -2.353 1.00 0.00 O ATOM 967 CB GLN A2072 10.466 -9.900 -0.802 1.00 0.00 C ATOM 968 CG GLN A2072 11.153 -10.240 0.522 1.00 0.00 C ATOM 969 CD GLN A2072 12.204 -11.334 0.328 1.00 0.00 C ATOM 970 OE1 GLN A2072 12.682 -11.586 -0.765 1.00 0.00 O ATOM 971 NE2 GLN A2072 12.538 -11.969 1.448 1.00 0.00 N ATOM 0 H GLN A2072 8.048 -9.983 -0.109 1.00 0.00 H new ATOM 0 HA GLN A2072 10.100 -7.954 -0.013 1.00 0.00 H new ATOM 0 HB2 GLN A2072 9.864 -10.747 -1.132 1.00 0.00 H new ATOM 0 HB3 GLN A2072 11.218 -9.725 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A2072 11.624 -9.346 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A2072 10.409 -10.569 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A2072 12.100 -11.709 2.332 1.00 0.00 H new ATOM 0 HE22 GLN A2072 13.232 -12.716 1.423 1.00 0.00 H new ATOM 980 N ALA A2073 8.396 -8.557 -2.755 1.00 0.00 N ATOM 981 CA ALA A2073 8.062 -8.030 -4.067 1.00 0.00 C ATOM 982 C ALA A2073 7.818 -6.523 -3.960 1.00 0.00 C ATOM 983 O ALA A2073 8.305 -5.751 -4.785 1.00 0.00 O ATOM 984 CB ALA A2073 6.849 -8.779 -4.625 1.00 0.00 C ATOM 0 H ALA A2073 7.852 -9.371 -2.471 1.00 0.00 H new ATOM 0 HA ALA A2073 8.887 -8.182 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A2073 6.598 -8.384 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A2073 7.084 -9.840 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A2073 6.000 -8.647 -3.954 1.00 0.00 H new ATOM 990 N TYR A2074 7.064 -6.149 -2.937 1.00 0.00 N ATOM 991 CA TYR A2074 6.750 -4.749 -2.711 1.00 0.00 C ATOM 992 C TYR A2074 7.665 -4.146 -1.642 1.00 0.00 C ATOM 993 O TYR A2074 7.768 -2.927 -1.526 1.00 0.00 O ATOM 994 CB TYR A2074 5.306 -4.716 -2.206 1.00 0.00 C ATOM 995 CG TYR A2074 4.319 -5.478 -3.094 1.00 0.00 C ATOM 996 CD1 TYR A2074 4.152 -5.109 -4.414 1.00 0.00 C ATOM 997 CD2 TYR A2074 3.594 -6.531 -2.575 1.00 0.00 C ATOM 998 CE1 TYR A2074 3.224 -5.826 -5.249 1.00 0.00 C ATOM 999 CE2 TYR A2074 2.666 -7.247 -3.410 1.00 0.00 C ATOM 1000 CZ TYR A2074 2.527 -6.859 -4.707 1.00 0.00 C ATOM 1001 OH TYR A2074 1.650 -7.535 -5.496 1.00 0.00 O ATOM 0 H TYR A2074 6.661 -6.792 -2.255 1.00 0.00 H new ATOM 0 HA TYR A2074 6.886 -4.174 -3.627 1.00 0.00 H new ATOM 0 HB2 TYR A2074 5.274 -5.136 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A2074 4.983 -3.678 -2.128 1.00 0.00 H new ATOM 0 HD1 TYR A2074 4.717 -4.283 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A2074 3.723 -6.818 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A2074 3.085 -5.549 -6.284 1.00 0.00 H new ATOM 0 HE2 TYR A2074 2.093 -8.073 -3.016 1.00 0.00 H new ATOM 0 HH TYR A2074 1.589 -8.465 -5.194 1.00 0.00 H new ATOM 1011 N GLY A2075 8.304 -5.031 -0.891 1.00 0.00 N ATOM 1012 CA GLY A2075 9.207 -4.601 0.163 1.00 0.00 C ATOM 1013 C GLY A2075 10.004 -3.367 -0.265 1.00 0.00 C ATOM 1014 O GLY A2075 10.151 -2.421 0.508 1.00 0.00 O ATOM 0 H GLY A2075 8.215 -6.042 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A2075 8.638 -4.375 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A2075 9.892 -5.411 0.413 1.00 0.00 H new ATOM 1018 N ARG A2076 10.495 -3.415 -1.495 1.00 0.00 N ATOM 1019 CA ARG A2076 11.272 -2.313 -2.033 1.00 0.00 C ATOM 1020 C ARG A2076 10.345 -1.189 -2.502 1.00 0.00 C ATOM 1021 O ARG A2076 10.638 -0.013 -2.299 1.00 0.00 O ATOM 1022 CB ARG A2076 12.139 -2.772 -3.208 1.00 0.00 C ATOM 1023 CG ARG A2076 13.512 -2.101 -3.171 1.00 0.00 C ATOM 1024 CD ARG A2076 13.484 -0.753 -3.895 1.00 0.00 C ATOM 1025 NE ARG A2076 14.690 -0.606 -4.739 1.00 0.00 N ATOM 1026 CZ ARG A2076 15.940 -0.463 -4.253 1.00 0.00 C ATOM 1027 NH1 ARG A2076 16.161 -0.445 -2.921 1.00 0.00 N ATOM 1028 NH2 ARG A2076 16.947 -0.338 -5.099 1.00 0.00 N ATOM 0 H ARG A2076 10.369 -4.200 -2.134 1.00 0.00 H new ATOM 0 HA ARG A2076 11.921 -1.946 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A2076 12.259 -3.855 -3.175 1.00 0.00 H new ATOM 0 HB3 ARG A2076 11.640 -2.535 -4.147 1.00 0.00 H new ATOM 0 HG2 ARG A2076 13.822 -1.955 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A2076 14.252 -2.752 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A2076 12.588 -0.681 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A2076 13.438 0.058 -3.169 1.00 0.00 H new ATOM 0 HE ARG A2076 14.569 -0.613 -5.752 1.00 0.00 H new ATOM 0 HH11 ARG A2076 15.379 -0.540 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A2076 17.110 -0.336 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A2076 16.773 -0.350 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A2076 17.898 -0.229 -4.747 1.00 0.00 H new ATOM 1040 N ASP A2077 9.244 -1.593 -3.120 1.00 0.00 N ATOM 1041 CA ASP A2077 8.273 -0.636 -3.620 1.00 0.00 C ATOM 1042 C ASP A2077 7.763 0.220 -2.457 1.00 0.00 C ATOM 1043 O ASP A2077 7.920 1.441 -2.466 1.00 0.00 O ATOM 1044 CB ASP A2077 7.071 -1.345 -4.246 1.00 0.00 C ATOM 1045 CG ASP A2077 7.364 -2.079 -5.555 1.00 0.00 C ATOM 1046 OD1 ASP A2077 8.499 -2.069 -6.053 1.00 0.00 O ATOM 1047 OD2 ASP A2077 6.353 -2.689 -6.077 1.00 0.00 O ATOM 0 H ASP A2077 9.004 -2.570 -3.285 1.00 0.00 H new ATOM 0 HA ASP A2077 8.763 -0.022 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A2077 6.675 -2.061 -3.526 1.00 0.00 H new ATOM 0 HB3 ASP A2077 6.288 -0.609 -4.427 1.00 0.00 H new ATOM 1053 N LEU A2078 7.164 -0.454 -1.487 1.00 0.00 N ATOM 1054 CA LEU A2078 6.631 0.231 -0.321 1.00 0.00 C ATOM 1055 C LEU A2078 7.723 1.109 0.293 1.00 0.00 C ATOM 1056 O LEU A2078 7.456 2.235 0.713 1.00 0.00 O ATOM 1057 CB LEU A2078 6.026 -0.776 0.660 1.00 0.00 C ATOM 1058 CG LEU A2078 4.686 -1.390 0.252 1.00 0.00 C ATOM 1059 CD1 LEU A2078 3.900 -1.857 1.477 1.00 0.00 C ATOM 1060 CD2 LEU A2078 3.878 -0.420 -0.613 1.00 0.00 C ATOM 0 H LEU A2078 7.036 -1.466 -1.484 1.00 0.00 H new ATOM 0 HA LEU A2078 5.814 0.893 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A2078 6.743 -1.584 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A2078 5.898 -0.282 1.623 1.00 0.00 H new ATOM 0 HG LEU A2078 4.887 -2.272 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A2078 2.952 -2.289 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A2078 4.478 -2.608 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A2078 3.709 -1.007 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A2078 2.930 -0.882 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A2078 3.686 0.495 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A2078 4.441 -0.181 -1.515 1.00 0.00 H new ATOM 1072 N MET A2079 8.929 0.562 0.326 1.00 0.00 N ATOM 1073 CA MET A2079 10.062 1.282 0.882 1.00 0.00 C ATOM 1074 C MET A2079 10.230 2.644 0.207 1.00 0.00 C ATOM 1075 O MET A2079 10.424 3.655 0.881 1.00 0.00 O ATOM 1076 CB MET A2079 11.335 0.456 0.690 1.00 0.00 C ATOM 1077 CG MET A2079 12.512 1.080 1.445 1.00 0.00 C ATOM 1078 SD MET A2079 13.851 -0.093 1.563 1.00 0.00 S ATOM 1079 CE MET A2079 13.363 -0.973 3.038 1.00 0.00 C ATOM 0 H MET A2079 9.146 -0.371 -0.023 1.00 0.00 H new ATOM 0 HA MET A2079 9.880 1.444 1.944 1.00 0.00 H new ATOM 0 HB2 MET A2079 11.170 -0.562 1.044 1.00 0.00 H new ATOM 0 HB3 MET A2079 11.573 0.390 -0.372 1.00 0.00 H new ATOM 0 HG2 MET A2079 12.850 1.979 0.930 1.00 0.00 H new ATOM 0 HG3 MET A2079 12.195 1.384 2.443 1.00 0.00 H new ATOM 0 HE1 MET A2079 14.096 -1.749 3.258 1.00 0.00 H new ATOM 0 HE2 MET A2079 13.309 -0.277 3.875 1.00 0.00 H new ATOM 0 HE3 MET A2079 12.386 -1.431 2.882 1.00 0.00 H new ATOM 1089 N GLU A2080 10.149 2.628 -1.114 1.00 0.00 N ATOM 1090 CA GLU A2080 10.291 3.850 -1.888 1.00 0.00 C ATOM 1091 C GLU A2080 9.142 4.812 -1.575 1.00 0.00 C ATOM 1092 O GLU A2080 9.372 5.935 -1.128 1.00 0.00 O ATOM 1093 CB GLU A2080 10.358 3.547 -3.386 1.00 0.00 C ATOM 1094 CG GLU A2080 10.637 4.817 -4.191 1.00 0.00 C ATOM 1095 CD GLU A2080 11.387 4.493 -5.484 1.00 0.00 C ATOM 1096 OE1 GLU A2080 11.891 3.372 -5.645 1.00 0.00 O ATOM 1097 OE2 GLU A2080 11.436 5.455 -6.342 1.00 0.00 O ATOM 0 H GLU A2080 9.987 1.788 -1.669 1.00 0.00 H new ATOM 0 HA GLU A2080 11.229 4.328 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU A2080 11.140 2.812 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A2080 9.417 3.104 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A2080 9.697 5.316 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A2080 11.224 5.511 -3.590 1.00 0.00 H new ATOM 1105 N ALA A2081 7.930 4.337 -1.822 1.00 0.00 N ATOM 1106 CA ALA A2081 6.745 5.140 -1.572 1.00 0.00 C ATOM 1107 C ALA A2081 6.755 5.617 -0.119 1.00 0.00 C ATOM 1108 O ALA A2081 6.398 6.758 0.166 1.00 0.00 O ATOM 1109 CB ALA A2081 5.495 4.327 -1.912 1.00 0.00 C ATOM 0 H ALA A2081 7.743 3.405 -2.193 1.00 0.00 H new ATOM 0 HA ALA A2081 6.740 6.025 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A2081 4.607 4.930 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A2081 5.523 4.039 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A2081 5.463 3.431 -1.291 1.00 0.00 H new ATOM 1115 N GLN A2082 7.165 4.716 0.762 1.00 0.00 N ATOM 1116 CA GLN A2082 7.226 5.030 2.180 1.00 0.00 C ATOM 1117 C GLN A2082 8.138 6.235 2.419 1.00 0.00 C ATOM 1118 O GLN A2082 7.823 7.107 3.227 1.00 0.00 O ATOM 1119 CB GLN A2082 7.694 3.819 2.990 1.00 0.00 C ATOM 1120 CG GLN A2082 7.715 4.136 4.486 1.00 0.00 C ATOM 1121 CD GLN A2082 8.995 3.612 5.140 1.00 0.00 C ATOM 1122 OE1 GLN A2082 9.972 3.291 4.483 1.00 0.00 O ATOM 1123 NE2 GLN A2082 8.936 3.543 6.467 1.00 0.00 N ATOM 0 H GLN A2082 7.458 3.769 0.522 1.00 0.00 H new ATOM 0 HA GLN A2082 6.222 5.287 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A2082 7.032 2.974 2.803 1.00 0.00 H new ATOM 0 HB3 GLN A2082 8.691 3.522 2.664 1.00 0.00 H new ATOM 0 HG2 GLN A2082 7.642 5.213 4.634 1.00 0.00 H new ATOM 0 HG3 GLN A2082 6.846 3.688 4.968 1.00 0.00 H new ATOM 0 HE21 GLN A2082 8.087 3.828 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A2082 9.740 3.205 6.996 1.00 0.00 H new ATOM 1132 N GLU A2083 9.252 6.245 1.701 1.00 0.00 N ATOM 1133 CA GLU A2083 10.213 7.328 1.825 1.00 0.00 C ATOM 1134 C GLU A2083 9.604 8.637 1.317 1.00 0.00 C ATOM 1135 O GLU A2083 9.840 9.699 1.890 1.00 0.00 O ATOM 1136 CB GLU A2083 11.509 7.001 1.081 1.00 0.00 C ATOM 1137 CG GLU A2083 11.837 8.079 0.049 1.00 0.00 C ATOM 1138 CD GLU A2083 13.199 7.824 -0.598 1.00 0.00 C ATOM 1139 OE1 GLU A2083 13.269 7.215 -1.676 1.00 0.00 O ATOM 1140 OE2 GLU A2083 14.209 8.283 0.059 1.00 0.00 O ATOM 0 H GLU A2083 9.510 5.520 1.031 1.00 0.00 H new ATOM 0 HA GLU A2083 10.460 7.449 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A2083 12.329 6.914 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A2083 11.414 6.035 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A2083 11.064 8.099 -0.719 1.00 0.00 H new ATOM 0 HG3 GLU A2083 11.836 9.058 0.528 1.00 0.00 H new ATOM 1148 N TRP A2084 8.835 8.517 0.244 1.00 0.00 N ATOM 1149 CA TRP A2084 8.191 9.678 -0.349 1.00 0.00 C ATOM 1150 C TRP A2084 7.150 10.199 0.644 1.00 0.00 C ATOM 1151 O TRP A2084 6.851 11.393 0.664 1.00 0.00 O ATOM 1152 CB TRP A2084 7.595 9.336 -1.715 1.00 0.00 C ATOM 1153 CG TRP A2084 8.639 9.078 -2.804 1.00 0.00 C ATOM 1154 CD1 TRP A2084 9.061 7.899 -3.280 1.00 0.00 C ATOM 1155 CD2 TRP A2084 9.380 10.076 -3.536 1.00 0.00 C ATOM 1156 NE1 TRP A2084 10.017 8.063 -4.262 1.00 0.00 N ATOM 1157 CE2 TRP A2084 10.217 9.429 -4.423 1.00 0.00 C ATOM 1158 CE3 TRP A2084 9.346 11.480 -3.452 1.00 0.00 C ATOM 1159 CZ2 TRP A2084 11.082 10.104 -5.292 1.00 0.00 C ATOM 1160 CZ3 TRP A2084 10.216 12.140 -4.328 1.00 0.00 C ATOM 1161 CH2 TRP A2084 11.064 11.503 -5.226 1.00 0.00 C ATOM 0 H TRP A2084 8.643 7.634 -0.230 1.00 0.00 H new ATOM 0 HA TRP A2084 8.918 10.468 -0.538 1.00 0.00 H new ATOM 0 HB2 TRP A2084 6.965 8.452 -1.614 1.00 0.00 H new ATOM 0 HB3 TRP A2084 6.948 10.154 -2.033 1.00 0.00 H new ATOM 0 HD1 TRP A2084 8.699 6.941 -2.938 1.00 0.00 H new ATOM 0 HE1 TRP A2084 10.490 7.319 -4.775 1.00 0.00 H new ATOM 0 HE3 TRP A2084 8.700 12.007 -2.766 1.00 0.00 H new ATOM 0 HZ2 TRP A2084 11.728 9.575 -5.976 1.00 0.00 H new ATOM 0 HZ3 TRP A2084 10.229 13.220 -4.304 1.00 0.00 H new ATOM 0 HH2 TRP A2084 11.707 12.084 -5.870 1.00 0.00 H new ATOM 1172 N CYS A2085 6.627 9.281 1.442 1.00 0.00 N ATOM 1173 CA CYS A2085 5.626 9.633 2.435 1.00 0.00 C ATOM 1174 C CYS A2085 6.313 10.425 3.549 1.00 0.00 C ATOM 1175 O CYS A2085 5.938 11.561 3.830 1.00 0.00 O ATOM 1176 CB CYS A2085 4.904 8.397 2.974 1.00 0.00 C ATOM 1177 SG CYS A2085 3.186 8.351 2.343 1.00 0.00 S ATOM 0 H CYS A2085 6.878 8.292 1.422 1.00 0.00 H new ATOM 0 HA CYS A2085 4.854 10.250 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A2085 5.435 7.495 2.672 1.00 0.00 H new ATOM 0 HB3 CYS A2085 4.900 8.415 4.064 1.00 0.00 H new ATOM 0 HG CYS A2085 2.415 9.039 3.132 1.00 0.00 H new ATOM 1183 N ARG A2086 7.307 9.790 4.155 1.00 0.00 N ATOM 1184 CA ARG A2086 8.050 10.420 5.233 1.00 0.00 C ATOM 1185 C ARG A2086 8.621 11.763 4.771 1.00 0.00 C ATOM 1186 O ARG A2086 8.617 12.736 5.524 1.00 0.00 O ATOM 1187 CB ARG A2086 9.196 9.524 5.710 1.00 0.00 C ATOM 1188 CG ARG A2086 8.662 8.207 6.274 1.00 0.00 C ATOM 1189 CD ARG A2086 9.433 7.014 5.705 1.00 0.00 C ATOM 1190 NE ARG A2086 10.798 6.975 6.277 1.00 0.00 N ATOM 1191 CZ ARG A2086 11.804 6.223 5.782 1.00 0.00 C ATOM 1192 NH1 ARG A2086 11.606 5.440 4.701 1.00 0.00 N ATOM 1193 NH2 ARG A2086 12.984 6.265 6.372 1.00 0.00 N ATOM 0 H ARG A2086 7.614 8.846 3.920 1.00 0.00 H new ATOM 0 HA ARG A2086 7.360 10.580 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A2086 9.873 9.321 4.880 1.00 0.00 H new ATOM 0 HB3 ARG A2086 9.775 10.043 6.474 1.00 0.00 H new ATOM 0 HG2 ARG A2086 8.744 8.213 7.361 1.00 0.00 H new ATOM 0 HG3 ARG A2086 7.603 8.108 6.035 1.00 0.00 H new ATOM 0 HD2 ARG A2086 8.907 6.087 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A2086 9.487 7.090 4.619 1.00 0.00 H new ATOM 0 HE ARG A2086 10.990 7.552 7.096 1.00 0.00 H new ATOM 0 HH11 ARG A2086 10.691 5.413 4.251 1.00 0.00 H new ATOM 0 HH12 ARG A2086 12.372 4.875 4.333 1.00 0.00 H new ATOM 0 HH21 ARG A2086 13.125 6.859 7.189 1.00 0.00 H new ATOM 0 HH22 ARG A2086 13.755 5.703 6.011 1.00 0.00 H new ATOM 1205 N LYS A2087 9.097 11.773 3.535 1.00 0.00 N ATOM 1206 CA LYS A2087 9.669 12.980 2.963 1.00 0.00 C ATOM 1207 C LYS A2087 8.575 14.040 2.821 1.00 0.00 C ATOM 1208 O LYS A2087 8.821 15.225 3.042 1.00 0.00 O ATOM 1209 CB LYS A2087 10.391 12.662 1.653 1.00 0.00 C ATOM 1210 CG LYS A2087 10.774 13.945 0.911 1.00 0.00 C ATOM 1211 CD LYS A2087 9.962 14.101 -0.375 1.00 0.00 C ATOM 1212 CE LYS A2087 10.868 14.045 -1.607 1.00 0.00 C ATOM 1213 NZ LYS A2087 10.948 15.374 -2.250 1.00 0.00 N ATOM 0 H LYS A2087 9.098 10.964 2.913 1.00 0.00 H new ATOM 0 HA LYS A2087 10.429 13.393 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A2087 11.287 12.077 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A2087 9.749 12.049 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A2087 10.606 14.806 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A2087 11.838 13.927 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A2087 9.213 13.311 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A2087 9.425 15.049 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A2087 11.865 13.713 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A2087 10.482 13.313 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A2087 11.776 15.406 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A2087 10.085 15.543 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A2087 11.039 16.108 -1.519 1.00 0.00 H new ATOM 1226 N TYR A2088 7.390 13.576 2.451 1.00 0.00 N ATOM 1227 CA TYR A2088 6.258 14.470 2.277 1.00 0.00 C ATOM 1228 C TYR A2088 5.759 14.993 3.626 1.00 0.00 C ATOM 1229 O TYR A2088 5.525 16.189 3.785 1.00 0.00 O ATOM 1230 CB TYR A2088 5.154 13.632 1.629 1.00 0.00 C ATOM 1231 CG TYR A2088 3.738 14.068 2.006 1.00 0.00 C ATOM 1232 CD1 TYR A2088 3.094 15.036 1.263 1.00 0.00 C ATOM 1233 CD2 TYR A2088 3.104 13.493 3.090 1.00 0.00 C ATOM 1234 CE1 TYR A2088 1.759 15.446 1.619 1.00 0.00 C ATOM 1235 CE2 TYR A2088 1.771 13.905 3.445 1.00 0.00 C ATOM 1236 CZ TYR A2088 1.164 14.861 2.692 1.00 0.00 C ATOM 1237 OH TYR A2088 -0.095 15.249 3.028 1.00 0.00 O ATOM 0 H TYR A2088 7.190 12.593 2.267 1.00 0.00 H new ATOM 0 HA TYR A2088 6.540 15.331 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A2088 5.262 13.683 0.546 1.00 0.00 H new ATOM 0 HB3 TYR A2088 5.290 12.589 1.914 1.00 0.00 H new ATOM 0 HD1 TYR A2088 3.590 15.486 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A2088 3.608 12.735 3.671 1.00 0.00 H new ATOM 0 HE1 TYR A2088 1.243 16.202 1.046 1.00 0.00 H new ATOM 0 HE2 TYR A2088 1.264 13.464 4.291 1.00 0.00 H new ATOM 0 HH TYR A2088 -0.492 15.749 2.285 1.00 0.00 H new ATOM 1247 N MET A2089 5.611 14.068 4.564 1.00 0.00 N ATOM 1248 CA MET A2089 5.144 14.420 5.894 1.00 0.00 C ATOM 1249 C MET A2089 6.091 15.420 6.561 1.00 0.00 C ATOM 1250 O MET A2089 5.649 16.306 7.293 1.00 0.00 O ATOM 1251 CB MET A2089 5.048 13.158 6.753 1.00 0.00 C ATOM 1252 CG MET A2089 3.832 12.318 6.359 1.00 0.00 C ATOM 1253 SD MET A2089 3.080 11.611 7.815 1.00 0.00 S ATOM 1254 CE MET A2089 1.364 11.982 7.489 1.00 0.00 C ATOM 0 H MET A2089 5.806 13.076 4.429 1.00 0.00 H new ATOM 0 HA MET A2089 4.162 14.883 5.802 1.00 0.00 H new ATOM 0 HB2 MET A2089 5.956 12.566 6.639 1.00 0.00 H new ATOM 0 HB3 MET A2089 4.978 13.434 7.805 1.00 0.00 H new ATOM 0 HG2 MET A2089 3.108 12.938 5.830 1.00 0.00 H new ATOM 0 HG3 MET A2089 4.134 11.525 5.674 1.00 0.00 H new ATOM 0 HE1 MET A2089 1.024 12.760 8.172 1.00 0.00 H new ATOM 0 HE2 MET A2089 1.256 12.329 6.461 1.00 0.00 H new ATOM 0 HE3 MET A2089 0.764 11.084 7.634 1.00 0.00 H new ATOM 1264 N LYS A2090 7.374 15.247 6.284 1.00 0.00 N ATOM 1265 CA LYS A2090 8.387 16.122 6.847 1.00 0.00 C ATOM 1266 C LYS A2090 8.524 17.368 5.970 1.00 0.00 C ATOM 1267 O LYS A2090 8.386 18.491 6.452 1.00 0.00 O ATOM 1268 CB LYS A2090 9.701 15.364 7.048 1.00 0.00 C ATOM 1269 CG LYS A2090 10.776 16.277 7.642 1.00 0.00 C ATOM 1270 CD LYS A2090 10.187 17.191 8.718 1.00 0.00 C ATOM 1271 CE LYS A2090 9.609 16.373 9.876 1.00 0.00 C ATOM 1272 NZ LYS A2090 8.596 17.160 10.611 1.00 0.00 N ATOM 0 H LYS A2090 7.736 14.512 5.676 1.00 0.00 H new ATOM 0 HA LYS A2090 8.087 16.461 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A2090 9.536 14.513 7.709 1.00 0.00 H new ATOM 0 HB3 LYS A2090 10.044 14.965 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A2090 11.575 15.672 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A2090 11.222 16.881 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A2090 10.959 17.863 9.092 1.00 0.00 H new ATOM 0 HD3 LYS A2090 9.406 17.815 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A2090 9.159 15.457 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A2090 10.409 16.076 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A2090 8.214 16.590 11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A2090 9.036 18.022 10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A2090 7.824 17.422 9.965 1.00 0.00 H new ATOM 1285 N SER A2091 8.795 17.127 4.694 1.00 0.00 N ATOM 1286 CA SER A2091 8.953 18.215 3.745 1.00 0.00 C ATOM 1287 C SER A2091 7.604 18.898 3.502 1.00 0.00 C ATOM 1288 O SER A2091 7.404 20.044 3.898 1.00 0.00 O ATOM 1289 CB SER A2091 9.539 17.713 2.424 1.00 0.00 C ATOM 1290 OG SER A2091 9.948 18.785 1.579 1.00 0.00 O ATOM 0 H SER A2091 8.909 16.194 4.297 1.00 0.00 H new ATOM 0 HA SER A2091 9.649 18.939 4.168 1.00 0.00 H new ATOM 0 HB2 SER A2091 10.393 17.067 2.629 1.00 0.00 H new ATOM 0 HB3 SER A2091 8.797 17.106 1.906 1.00 0.00 H new ATOM 0 HG SER A2091 10.318 18.423 0.747 1.00 0.00 H new ATOM 1296 N GLY A2092 6.714 18.162 2.853 1.00 0.00 N ATOM 1297 CA GLY A2092 5.391 18.681 2.551 1.00 0.00 C ATOM 1298 C GLY A2092 5.284 19.093 1.082 1.00 0.00 C ATOM 1299 O GLY A2092 5.599 20.227 0.728 1.00 0.00 O ATOM 0 H GLY A2092 6.883 17.210 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A2092 4.640 17.924 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A2092 5.179 19.539 3.189 1.00 0.00 H new ATOM 1303 N ASN A2093 4.840 18.148 0.266 1.00 0.00 N ATOM 1304 CA ASN A2093 4.688 18.399 -1.158 1.00 0.00 C ATOM 1305 C ASN A2093 3.723 17.372 -1.752 1.00 0.00 C ATOM 1306 O ASN A2093 3.967 16.168 -1.676 1.00 0.00 O ATOM 1307 CB ASN A2093 6.026 18.267 -1.885 1.00 0.00 C ATOM 1308 CG ASN A2093 6.354 19.542 -2.666 1.00 0.00 C ATOM 1309 OD1 ASN A2093 5.875 20.624 -2.367 1.00 0.00 O ATOM 1310 ND2 ASN A2093 7.197 19.355 -3.679 1.00 0.00 N ATOM 0 H ASN A2093 4.581 17.207 0.563 1.00 0.00 H new ATOM 0 HA ASN A2093 4.308 19.413 -1.284 1.00 0.00 H new ATOM 0 HB2 ASN A2093 6.818 18.064 -1.164 1.00 0.00 H new ATOM 0 HB3 ASN A2093 5.991 17.417 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A2093 7.479 20.144 -4.260 1.00 0.00 H new ATOM 0 HD22 ASN A2093 7.561 18.422 -3.874 1.00 0.00 H new ATOM 1317 N VAL A2094 2.646 17.884 -2.330 1.00 0.00 N ATOM 1318 CA VAL A2094 1.643 17.025 -2.937 1.00 0.00 C ATOM 1319 C VAL A2094 2.307 16.140 -3.994 1.00 0.00 C ATOM 1320 O VAL A2094 1.995 14.955 -4.102 1.00 0.00 O ATOM 1321 CB VAL A2094 0.500 17.874 -3.500 1.00 0.00 C ATOM 1322 CG1 VAL A2094 0.874 18.461 -4.863 1.00 0.00 C ATOM 1323 CG2 VAL A2094 -0.794 17.060 -3.589 1.00 0.00 C ATOM 0 H VAL A2094 2.446 18.882 -2.391 1.00 0.00 H new ATOM 0 HA VAL A2094 1.203 16.364 -2.190 1.00 0.00 H new ATOM 0 HB VAL A2094 0.328 18.703 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A2094 0.045 19.060 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A2094 1.758 19.090 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A2094 1.086 17.652 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A2094 -1.590 17.686 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A2094 -0.640 16.202 -4.244 1.00 0.00 H new ATOM 0 HG23 VAL A2094 -1.074 16.712 -2.595 1.00 0.00 H new ATOM 1333 N LYS A2095 3.211 16.749 -4.746 1.00 0.00 N ATOM 1334 CA LYS A2095 3.923 16.031 -5.790 1.00 0.00 C ATOM 1335 C LYS A2095 4.482 14.728 -5.216 1.00 0.00 C ATOM 1336 O LYS A2095 4.318 13.663 -5.809 1.00 0.00 O ATOM 1337 CB LYS A2095 4.984 16.928 -6.429 1.00 0.00 C ATOM 1338 CG LYS A2095 5.437 16.366 -7.779 1.00 0.00 C ATOM 1339 CD LYS A2095 6.678 15.486 -7.618 1.00 0.00 C ATOM 1340 CE LYS A2095 7.592 15.599 -8.840 1.00 0.00 C ATOM 1341 NZ LYS A2095 9.003 15.373 -8.455 1.00 0.00 N ATOM 0 H LYS A2095 3.467 17.732 -4.654 1.00 0.00 H new ATOM 0 HA LYS A2095 3.243 15.758 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A2095 4.582 17.932 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A2095 5.841 17.016 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A2095 4.630 15.784 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A2095 5.654 17.186 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A2095 7.224 15.782 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A2095 6.377 14.448 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A2095 7.293 14.870 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A2095 7.486 16.586 -9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A2095 9.609 15.453 -9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A2095 9.289 16.084 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A2095 9.103 14.422 -8.046 1.00 0.00 H new ATOM 1354 N ASP A2096 5.133 14.855 -4.069 1.00 0.00 N ATOM 1355 CA ASP A2096 5.718 13.701 -3.408 1.00 0.00 C ATOM 1356 C ASP A2096 4.601 12.769 -2.935 1.00 0.00 C ATOM 1357 O ASP A2096 4.738 11.548 -2.996 1.00 0.00 O ATOM 1358 CB ASP A2096 6.534 14.121 -2.183 1.00 0.00 C ATOM 1359 CG ASP A2096 7.438 15.337 -2.396 1.00 0.00 C ATOM 1360 OD1 ASP A2096 7.868 15.624 -3.522 1.00 0.00 O ATOM 1361 OD2 ASP A2096 7.704 16.012 -1.329 1.00 0.00 O ATOM 0 H ASP A2096 5.268 15.740 -3.580 1.00 0.00 H new ATOM 0 HA ASP A2096 6.372 13.200 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A2096 5.848 14.336 -1.364 1.00 0.00 H new ATOM 0 HB3 ASP A2096 7.151 13.279 -1.869 1.00 0.00 H new ATOM 1367 N LEU A2097 3.519 13.380 -2.472 1.00 0.00 N ATOM 1368 CA LEU A2097 2.380 12.620 -1.988 1.00 0.00 C ATOM 1369 C LEU A2097 1.777 11.822 -3.145 1.00 0.00 C ATOM 1370 O LEU A2097 1.452 10.645 -2.989 1.00 0.00 O ATOM 1371 CB LEU A2097 1.379 13.542 -1.290 1.00 0.00 C ATOM 1372 CG LEU A2097 0.039 12.911 -0.905 1.00 0.00 C ATOM 1373 CD1 LEU A2097 0.237 11.491 -0.370 1.00 0.00 C ATOM 1374 CD2 LEU A2097 -0.720 13.797 0.085 1.00 0.00 C ATOM 0 H LEU A2097 3.408 14.393 -2.422 1.00 0.00 H new ATOM 0 HA LEU A2097 2.695 11.900 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A2097 1.846 13.934 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A2097 1.183 14.393 -1.943 1.00 0.00 H new ATOM 0 HG LEU A2097 -0.574 12.835 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A2097 -0.730 11.064 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A2097 0.706 10.875 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A2097 0.876 11.520 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A2097 -1.669 13.326 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A2097 -0.123 13.928 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A2097 -0.910 14.770 -0.369 1.00 0.00 H new ATOM 1386 N THR A2098 1.644 12.492 -4.280 1.00 0.00 N ATOM 1387 CA THR A2098 1.087 11.859 -5.462 1.00 0.00 C ATOM 1388 C THR A2098 1.953 10.674 -5.892 1.00 0.00 C ATOM 1389 O THR A2098 1.434 9.611 -6.227 1.00 0.00 O ATOM 1390 CB THR A2098 0.939 12.930 -6.545 1.00 0.00 C ATOM 1391 OG1 THR A2098 -0.173 13.710 -6.114 1.00 0.00 O ATOM 1392 CG2 THR A2098 0.488 12.346 -7.886 1.00 0.00 C ATOM 0 H THR A2098 1.913 13.468 -4.406 1.00 0.00 H new ATOM 0 HA THR A2098 0.101 11.442 -5.260 1.00 0.00 H new ATOM 0 HB THR A2098 1.889 13.449 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A2098 0.109 14.313 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A2098 0.398 13.147 -8.620 1.00 0.00 H new ATOM 0 HG22 THR A2098 1.222 11.618 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A2098 -0.478 11.856 -7.763 1.00 0.00 H new ATOM 1400 N GLN A2099 3.260 10.898 -5.870 1.00 0.00 N ATOM 1401 CA GLN A2099 4.202 9.863 -6.253 1.00 0.00 C ATOM 1402 C GLN A2099 4.054 8.644 -5.340 1.00 0.00 C ATOM 1403 O GLN A2099 4.073 7.507 -5.809 1.00 0.00 O ATOM 1404 CB GLN A2099 5.637 10.392 -6.231 1.00 0.00 C ATOM 1405 CG GLN A2099 6.203 10.505 -7.649 1.00 0.00 C ATOM 1406 CD GLN A2099 6.781 9.167 -8.116 1.00 0.00 C ATOM 1407 OE1 GLN A2099 7.874 8.770 -7.746 1.00 0.00 O ATOM 1408 NE2 GLN A2099 5.987 8.495 -8.946 1.00 0.00 N ATOM 0 H GLN A2099 3.687 11.782 -5.593 1.00 0.00 H new ATOM 0 HA GLN A2099 3.978 9.556 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A2099 5.661 11.369 -5.747 1.00 0.00 H new ATOM 0 HB3 GLN A2099 6.264 9.727 -5.637 1.00 0.00 H new ATOM 0 HG2 GLN A2099 5.418 10.825 -8.334 1.00 0.00 H new ATOM 0 HG3 GLN A2099 6.979 11.270 -7.675 1.00 0.00 H new ATOM 0 HE21 GLN A2099 5.084 8.885 -9.215 1.00 0.00 H new ATOM 0 HE22 GLN A2099 6.282 7.590 -9.313 1.00 0.00 H new ATOM 1417 N ALA A2100 3.909 8.923 -4.053 1.00 0.00 N ATOM 1418 CA ALA A2100 3.757 7.864 -3.070 1.00 0.00 C ATOM 1419 C ALA A2100 2.472 7.084 -3.361 1.00 0.00 C ATOM 1420 O ALA A2100 2.441 5.862 -3.227 1.00 0.00 O ATOM 1421 CB ALA A2100 3.766 8.468 -1.664 1.00 0.00 C ATOM 0 H ALA A2100 3.894 9.867 -3.668 1.00 0.00 H new ATOM 0 HA ALA A2100 4.589 7.163 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A2100 3.652 7.674 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A2100 4.710 8.986 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A2100 2.942 9.175 -1.566 1.00 0.00 H new ATOM 1427 N TRP A2101 1.445 7.824 -3.754 1.00 0.00 N ATOM 1428 CA TRP A2101 0.162 7.218 -4.065 1.00 0.00 C ATOM 1429 C TRP A2101 0.323 6.405 -5.351 1.00 0.00 C ATOM 1430 O TRP A2101 -0.357 5.398 -5.543 1.00 0.00 O ATOM 1431 CB TRP A2101 -0.936 8.278 -4.161 1.00 0.00 C ATOM 1432 CG TRP A2101 -1.929 8.253 -2.996 1.00 0.00 C ATOM 1433 CD1 TRP A2101 -2.152 9.208 -2.083 1.00 0.00 C ATOM 1434 CD2 TRP A2101 -2.826 7.176 -2.653 1.00 0.00 C ATOM 1435 NE1 TRP A2101 -3.126 8.827 -1.181 1.00 0.00 N ATOM 1436 CE2 TRP A2101 -3.548 7.552 -1.540 1.00 0.00 C ATOM 1437 CE3 TRP A2101 -3.022 5.925 -3.266 1.00 0.00 C ATOM 1438 CZ2 TRP A2101 -4.515 6.735 -0.941 1.00 0.00 C ATOM 1439 CZ3 TRP A2101 -3.992 5.121 -2.656 1.00 0.00 C ATOM 1440 CH2 TRP A2101 -4.727 5.485 -1.533 1.00 0.00 C ATOM 0 H TRP A2101 1.476 8.838 -3.864 1.00 0.00 H new ATOM 0 HA TRP A2101 -0.152 6.547 -3.266 1.00 0.00 H new ATOM 0 HB2 TRP A2101 -0.472 9.263 -4.209 1.00 0.00 H new ATOM 0 HB3 TRP A2101 -1.482 8.137 -5.094 1.00 0.00 H new ATOM 0 HD1 TRP A2101 -1.635 10.156 -2.056 1.00 0.00 H new ATOM 0 HE1 TRP A2101 -3.472 9.379 -0.396 1.00 0.00 H new ATOM 0 HE3 TRP A2101 -2.468 5.610 -4.138 1.00 0.00 H new ATOM 0 HZ2 TRP A2101 -5.067 7.053 -0.069 1.00 0.00 H new ATOM 0 HZ3 TRP A2101 -4.183 4.150 -3.088 1.00 0.00 H new ATOM 0 HH2 TRP A2101 -5.458 4.806 -1.120 1.00 0.00 H new ATOM 1451 N ASP A2102 1.226 6.873 -6.200 1.00 0.00 N ATOM 1452 CA ASP A2102 1.485 6.202 -7.464 1.00 0.00 C ATOM 1453 C ASP A2102 2.174 4.864 -7.193 1.00 0.00 C ATOM 1454 O ASP A2102 1.743 3.827 -7.695 1.00 0.00 O ATOM 1455 CB ASP A2102 2.406 7.039 -8.352 1.00 0.00 C ATOM 1456 CG ASP A2102 1.996 7.111 -9.824 1.00 0.00 C ATOM 1457 OD1 ASP A2102 0.810 6.984 -10.163 1.00 0.00 O ATOM 1458 OD2 ASP A2102 2.965 7.311 -10.651 1.00 0.00 O ATOM 0 H ASP A2102 1.788 7.709 -6.038 1.00 0.00 H new ATOM 0 HA ASP A2102 0.531 6.056 -7.971 1.00 0.00 H new ATOM 0 HB2 ASP A2102 2.448 8.052 -7.952 1.00 0.00 H new ATOM 0 HB3 ASP A2102 3.414 6.630 -8.291 1.00 0.00 H new ATOM 1464 N LEU A2103 3.233 4.929 -6.399 1.00 0.00 N ATOM 1465 CA LEU A2103 3.986 3.734 -6.057 1.00 0.00 C ATOM 1466 C LEU A2103 3.038 2.693 -5.458 1.00 0.00 C ATOM 1467 O LEU A2103 3.028 1.540 -5.884 1.00 0.00 O ATOM 1468 CB LEU A2103 5.164 4.088 -5.147 1.00 0.00 C ATOM 1469 CG LEU A2103 6.174 5.089 -5.716 1.00 0.00 C ATOM 1470 CD1 LEU A2103 6.918 5.814 -4.592 1.00 0.00 C ATOM 1471 CD2 LEU A2103 7.134 4.406 -6.691 1.00 0.00 C ATOM 0 H LEU A2103 3.587 5.790 -5.983 1.00 0.00 H new ATOM 0 HA LEU A2103 4.424 3.290 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A2103 4.769 4.491 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A2103 5.694 3.169 -4.898 1.00 0.00 H new ATOM 0 HG LEU A2103 5.626 5.844 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A2103 7.629 6.519 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A2103 6.203 6.353 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A2103 7.453 5.087 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A2103 7.840 5.139 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A2103 7.679 3.617 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A2103 6.568 3.974 -7.516 1.00 0.00 H new ATOM 1483 N TYR A2104 2.263 3.139 -4.479 1.00 0.00 N ATOM 1484 CA TYR A2104 1.314 2.260 -3.817 1.00 0.00 C ATOM 1485 C TYR A2104 0.385 1.592 -4.833 1.00 0.00 C ATOM 1486 O TYR A2104 0.282 0.366 -4.873 1.00 0.00 O ATOM 1487 CB TYR A2104 0.483 3.155 -2.896 1.00 0.00 C ATOM 1488 CG TYR A2104 1.183 3.518 -1.584 1.00 0.00 C ATOM 1489 CD1 TYR A2104 1.920 2.565 -0.908 1.00 0.00 C ATOM 1490 CD2 TYR A2104 1.079 4.797 -1.077 1.00 0.00 C ATOM 1491 CE1 TYR A2104 2.578 2.907 0.326 1.00 0.00 C ATOM 1492 CE2 TYR A2104 1.738 5.139 0.156 1.00 0.00 C ATOM 1493 CZ TYR A2104 2.455 4.176 0.798 1.00 0.00 C ATOM 1494 OH TYR A2104 3.077 4.500 1.963 1.00 0.00 O ATOM 0 H TYR A2104 2.273 4.097 -4.129 1.00 0.00 H new ATOM 0 HA TYR A2104 1.835 1.471 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A2104 0.232 4.073 -3.428 1.00 0.00 H new ATOM 0 HB3 TYR A2104 -0.456 2.651 -2.668 1.00 0.00 H new ATOM 0 HD1 TYR A2104 2.003 1.564 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A2104 0.503 5.542 -1.606 1.00 0.00 H new ATOM 0 HE1 TYR A2104 3.157 2.171 0.865 1.00 0.00 H new ATOM 0 HE2 TYR A2104 1.665 6.137 0.563 1.00 0.00 H new ATOM 0 HH TYR A2104 2.902 5.440 2.177 1.00 0.00 H new ATOM 1504 N TYR A2105 -0.265 2.427 -5.630 1.00 0.00 N ATOM 1505 CA TYR A2105 -1.182 1.933 -6.643 1.00 0.00 C ATOM 1506 C TYR A2105 -0.537 0.818 -7.470 1.00 0.00 C ATOM 1507 O TYR A2105 -1.200 -0.151 -7.837 1.00 0.00 O ATOM 1508 CB TYR A2105 -1.480 3.122 -7.558 1.00 0.00 C ATOM 1509 CG TYR A2105 -2.887 3.104 -8.163 1.00 0.00 C ATOM 1510 CD1 TYR A2105 -3.491 1.902 -8.468 1.00 0.00 C ATOM 1511 CD2 TYR A2105 -3.549 4.292 -8.402 1.00 0.00 C ATOM 1512 CE1 TYR A2105 -4.813 1.886 -9.038 1.00 0.00 C ATOM 1513 CE2 TYR A2105 -4.872 4.274 -8.971 1.00 0.00 C ATOM 1514 CZ TYR A2105 -5.439 3.074 -9.261 1.00 0.00 C ATOM 1515 OH TYR A2105 -6.688 3.059 -9.798 1.00 0.00 O ATOM 0 H TYR A2105 -0.175 3.442 -5.595 1.00 0.00 H new ATOM 0 HA TYR A2105 -2.081 1.525 -6.181 1.00 0.00 H new ATOM 0 HB2 TYR A2105 -1.351 4.044 -6.992 1.00 0.00 H new ATOM 0 HB3 TYR A2105 -0.748 3.138 -8.366 1.00 0.00 H new ATOM 0 HD1 TYR A2105 -2.973 0.974 -8.279 1.00 0.00 H new ATOM 0 HD2 TYR A2105 -3.076 5.233 -8.163 1.00 0.00 H new ATOM 0 HE1 TYR A2105 -5.297 0.952 -9.283 1.00 0.00 H new ATOM 0 HE2 TYR A2105 -5.402 5.195 -9.163 1.00 0.00 H new ATOM 0 HH TYR A2105 -7.011 3.979 -9.900 1.00 0.00 H new ATOM 1525 N HIS A2106 0.749 0.993 -7.739 1.00 0.00 N ATOM 1526 CA HIS A2106 1.490 0.015 -8.516 1.00 0.00 C ATOM 1527 C HIS A2106 1.507 -1.323 -7.773 1.00 0.00 C ATOM 1528 O HIS A2106 1.220 -2.366 -8.361 1.00 0.00 O ATOM 1529 CB HIS A2106 2.894 0.530 -8.840 1.00 0.00 C ATOM 1530 CG HIS A2106 3.007 1.198 -10.190 1.00 0.00 C ATOM 1531 ND1 HIS A2106 3.509 2.477 -10.354 1.00 0.00 N ATOM 1532 CD2 HIS A2106 2.679 0.750 -11.436 1.00 0.00 C ATOM 1533 CE1 HIS A2106 3.478 2.776 -11.645 1.00 0.00 C ATOM 1534 NE2 HIS A2106 2.963 1.704 -12.313 1.00 0.00 N ATOM 0 H HIS A2106 1.296 1.798 -7.432 1.00 0.00 H new ATOM 0 HA HIS A2106 0.995 -0.146 -9.474 1.00 0.00 H new ATOM 0 HB2 HIS A2106 3.197 1.238 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A2106 3.594 -0.304 -8.799 1.00 0.00 H new ATOM 0 HD2 HIS A2106 2.259 -0.217 -11.669 1.00 0.00 H new ATOM 0 HE1 HIS A2106 3.803 3.705 -12.090 1.00 0.00 H new ATOM 0 HE2 HIS A2106 2.820 1.646 -13.321 1.00 0.00 H new ATOM 1543 N VAL A2107 1.846 -1.250 -6.495 1.00 0.00 N ATOM 1544 CA VAL A2107 1.904 -2.443 -5.668 1.00 0.00 C ATOM 1545 C VAL A2107 0.486 -2.970 -5.441 1.00 0.00 C ATOM 1546 O VAL A2107 0.223 -4.156 -5.632 1.00 0.00 O ATOM 1547 CB VAL A2107 2.644 -2.139 -4.363 1.00 0.00 C ATOM 1548 CG1 VAL A2107 3.624 -0.978 -4.546 1.00 0.00 C ATOM 1549 CG2 VAL A2107 1.660 -1.853 -3.228 1.00 0.00 C ATOM 0 H VAL A2107 2.083 -0.384 -6.012 1.00 0.00 H new ATOM 0 HA VAL A2107 2.467 -3.229 -6.171 1.00 0.00 H new ATOM 0 HB VAL A2107 3.220 -3.023 -4.091 1.00 0.00 H new ATOM 0 HG11 VAL A2107 4.136 -0.783 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A2107 4.356 -1.237 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A2107 3.078 -0.086 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A2107 2.212 -1.640 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A2107 1.044 -0.992 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A2107 1.021 -2.722 -3.073 1.00 0.00 H new ATOM 1559 N PHE A2108 -0.391 -2.063 -5.035 1.00 0.00 N ATOM 1560 CA PHE A2108 -1.776 -2.421 -4.782 1.00 0.00 C ATOM 1561 C PHE A2108 -2.454 -2.929 -6.054 1.00 0.00 C ATOM 1562 O PHE A2108 -3.362 -3.757 -5.992 1.00 0.00 O ATOM 1563 CB PHE A2108 -2.487 -1.151 -4.311 1.00 0.00 C ATOM 1564 CG PHE A2108 -2.387 -0.903 -2.804 1.00 0.00 C ATOM 1565 CD1 PHE A2108 -3.250 -1.523 -1.954 1.00 0.00 C ATOM 1566 CD2 PHE A2108 -1.435 -0.065 -2.315 1.00 0.00 C ATOM 1567 CE1 PHE A2108 -3.156 -1.293 -0.556 1.00 0.00 C ATOM 1568 CE2 PHE A2108 -1.341 0.165 -0.916 1.00 0.00 C ATOM 1569 CZ PHE A2108 -2.203 -0.454 -0.066 1.00 0.00 C ATOM 0 H PHE A2108 -0.169 -1.080 -4.875 1.00 0.00 H new ATOM 0 HA PHE A2108 -1.824 -3.215 -4.037 1.00 0.00 H new ATOM 0 HB2 PHE A2108 -2.066 -0.295 -4.838 1.00 0.00 H new ATOM 0 HB3 PHE A2108 -3.539 -1.211 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE A2108 -4.006 -2.190 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A2108 -0.750 0.426 -2.990 1.00 0.00 H new ATOM 0 HE1 PHE A2108 -3.841 -1.784 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A2108 -0.585 0.831 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A2108 -2.131 -0.280 0.997 1.00 0.00 H new ATOM 1579 N ARG A2109 -1.987 -2.412 -7.182 1.00 0.00 N ATOM 1580 CA ARG A2109 -2.537 -2.803 -8.469 1.00 0.00 C ATOM 1581 C ARG A2109 -2.057 -4.205 -8.848 1.00 0.00 C ATOM 1582 O ARG A2109 -2.808 -4.986 -9.429 1.00 0.00 O ATOM 1583 CB ARG A2109 -2.128 -1.817 -9.566 1.00 0.00 C ATOM 1584 CG ARG A2109 -2.525 -2.339 -10.948 1.00 0.00 C ATOM 1585 CD ARG A2109 -2.047 -1.390 -12.050 1.00 0.00 C ATOM 1586 NE ARG A2109 -2.818 -0.128 -12.001 1.00 0.00 N ATOM 1587 CZ ARG A2109 -2.383 1.043 -12.514 1.00 0.00 C ATOM 1588 NH1 ARG A2109 -1.179 1.122 -13.117 1.00 0.00 N ATOM 1589 NH2 ARG A2109 -3.155 2.111 -12.415 1.00 0.00 N ATOM 0 H ARG A2109 -1.234 -1.726 -7.231 1.00 0.00 H new ATOM 0 HA ARG A2109 -3.623 -2.799 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A2109 -2.602 -0.852 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A2109 -1.051 -1.654 -9.530 1.00 0.00 H new ATOM 0 HG2 ARG A2109 -2.096 -3.329 -11.104 1.00 0.00 H new ATOM 0 HG3 ARG A2109 -3.608 -2.449 -11.002 1.00 0.00 H new ATOM 0 HD2 ARG A2109 -0.984 -1.182 -11.926 1.00 0.00 H new ATOM 0 HD3 ARG A2109 -2.168 -1.862 -13.025 1.00 0.00 H new ATOM 0 HE ARG A2109 -3.734 -0.143 -11.552 1.00 0.00 H new ATOM 0 HH11 ARG A2109 -0.589 0.293 -13.188 1.00 0.00 H new ATOM 0 HH12 ARG A2109 -0.859 2.011 -13.502 1.00 0.00 H new ATOM 0 HH21 ARG A2109 -4.064 2.043 -11.957 1.00 0.00 H new ATOM 0 HH22 ARG A2109 -2.842 3.004 -12.797 1.00 0.00 H new ATOM 1601 N ARG A2110 -0.808 -4.480 -8.505 1.00 0.00 N ATOM 1602 CA ARG A2110 -0.218 -5.775 -8.802 1.00 0.00 C ATOM 1603 C ARG A2110 -0.954 -6.881 -8.042 1.00 0.00 C ATOM 1604 O ARG A2110 -1.370 -7.875 -8.633 1.00 0.00 O ATOM 1605 CB ARG A2110 1.264 -5.805 -8.424 1.00 0.00 C ATOM 1606 CG ARG A2110 2.101 -5.002 -9.422 1.00 0.00 C ATOM 1607 CD ARG A2110 2.502 -5.865 -10.621 1.00 0.00 C ATOM 1608 NE ARG A2110 3.800 -6.524 -10.358 1.00 0.00 N ATOM 1609 CZ ARG A2110 4.557 -7.112 -11.310 1.00 0.00 C ATOM 1610 NH1 ARG A2110 4.149 -7.129 -12.596 1.00 0.00 N ATOM 1611 NH2 ARG A2110 5.701 -7.671 -10.963 1.00 0.00 N ATOM 0 H ARG A2110 -0.187 -3.829 -8.024 1.00 0.00 H new ATOM 0 HA ARG A2110 -0.311 -5.943 -9.875 1.00 0.00 H new ATOM 0 HB2 ARG A2110 1.396 -5.397 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A2110 1.615 -6.837 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A2110 1.533 -4.137 -9.765 1.00 0.00 H new ATOM 0 HG3 ARG A2110 2.995 -4.621 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A2110 1.735 -6.616 -10.812 1.00 0.00 H new ATOM 0 HD3 ARG A2110 2.573 -5.248 -11.516 1.00 0.00 H new ATOM 0 HE ARG A2110 4.145 -6.535 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A2110 3.263 -6.696 -12.856 1.00 0.00 H new ATOM 0 HH12 ARG A2110 4.727 -7.575 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A2110 6.002 -7.655 -9.988 1.00 0.00 H new ATOM 0 HH22 ARG A2110 6.285 -8.119 -11.669 1.00 0.00 H new ATOM 1623 N ILE A2111 -1.089 -6.669 -6.740 1.00 0.00 N ATOM 1624 CA ILE A2111 -1.767 -7.636 -5.893 1.00 0.00 C ATOM 1625 C ILE A2111 -3.100 -8.025 -6.535 1.00 0.00 C ATOM 1626 O ILE A2111 -3.545 -9.165 -6.409 1.00 0.00 O ATOM 1627 CB ILE A2111 -1.906 -7.095 -4.467 1.00 0.00 C ATOM 1628 CG1 ILE A2111 -2.514 -5.690 -4.471 1.00 0.00 C ATOM 1629 CG2 ILE A2111 -0.563 -7.135 -3.733 1.00 0.00 C ATOM 1630 CD1 ILE A2111 -2.718 -5.178 -3.045 1.00 0.00 C ATOM 0 H ILE A2111 -0.741 -5.843 -6.252 1.00 0.00 H new ATOM 0 HA ILE A2111 -1.176 -8.548 -5.808 1.00 0.00 H new ATOM 0 HB ILE A2111 -2.592 -7.742 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A2111 -1.861 -5.009 -5.016 1.00 0.00 H new ATOM 0 HG13 ILE A2111 -3.469 -5.704 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A2111 -0.689 -6.746 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A2111 -0.206 -8.164 -3.684 1.00 0.00 H new ATOM 0 HG23 ILE A2111 0.163 -6.524 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A2111 -3.151 -4.178 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A2111 -3.391 -5.849 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A2111 -1.758 -5.142 -2.531 1.00 0.00 H new ATOM 1642 N SER A2112 -3.701 -7.055 -7.209 1.00 0.00 N ATOM 1643 CA SER A2112 -4.974 -7.282 -7.871 1.00 0.00 C ATOM 1644 C SER A2112 -4.742 -7.858 -9.269 1.00 0.00 C ATOM 1645 O SER A2112 -5.340 -8.869 -9.635 1.00 0.00 O ATOM 1646 CB SER A2112 -5.787 -5.989 -7.958 1.00 0.00 C ATOM 1647 OG SER A2112 -4.975 -4.869 -8.302 1.00 0.00 O ATOM 0 H SER A2112 -3.330 -6.110 -7.311 1.00 0.00 H new ATOM 0 HA SER A2112 -5.544 -7.999 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A2112 -6.576 -6.106 -8.701 1.00 0.00 H new ATOM 0 HB3 SER A2112 -6.275 -5.803 -7.001 1.00 0.00 H new ATOM 0 HG SER A2112 -4.477 -5.066 -9.123 1.00 0.00 H new ATOM 1653 N LYS A2113 -3.872 -7.189 -10.013 1.00 0.00 N ATOM 1654 CA LYS A2113 -3.553 -7.622 -11.363 1.00 0.00 C ATOM 1655 C LYS A2113 -3.177 -9.105 -11.343 1.00 0.00 C ATOM 1656 O LYS A2113 -2.328 -9.523 -10.557 1.00 0.00 O ATOM 1657 CB LYS A2113 -2.477 -6.722 -11.975 1.00 0.00 C ATOM 1658 CG LYS A2113 -1.673 -7.474 -13.037 1.00 0.00 C ATOM 1659 CD LYS A2113 -1.309 -6.552 -14.202 1.00 0.00 C ATOM 1660 CE LYS A2113 -0.075 -7.068 -14.944 1.00 0.00 C ATOM 1661 NZ LYS A2113 0.005 -6.471 -16.296 1.00 0.00 N ATOM 0 H LYS A2113 -3.379 -6.351 -9.706 1.00 0.00 H new ATOM 0 HA LYS A2113 -4.424 -7.523 -12.011 1.00 0.00 H new ATOM 0 HB2 LYS A2113 -2.943 -5.843 -12.421 1.00 0.00 H new ATOM 0 HB3 LYS A2113 -1.808 -6.365 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A2113 -0.765 -7.879 -12.591 1.00 0.00 H new ATOM 0 HG3 LYS A2113 -2.252 -8.321 -13.405 1.00 0.00 H new ATOM 0 HD2 LYS A2113 -2.150 -6.482 -14.892 1.00 0.00 H new ATOM 0 HD3 LYS A2113 -1.119 -5.546 -13.829 1.00 0.00 H new ATOM 0 HE2 LYS A2113 0.825 -6.824 -14.379 1.00 0.00 H new ATOM 0 HE3 LYS A2113 -0.118 -8.154 -15.022 1.00 0.00 H new ATOM 0 HZ1 LYS A2113 0.848 -6.832 -16.786 1.00 0.00 H new ATOM 0 HZ2 LYS A2113 -0.845 -6.725 -16.838 1.00 0.00 H new ATOM 0 HZ3 LYS A2113 0.068 -5.436 -16.215 1.00 0.00 H new