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: A2026 MET CE :methyl 148:sc= -6.84! (180deg=-7.81!) USER MOD Set 1.2: A2057 MET CE :methyl 177:sc= -3.79! (180deg=0) USER MOD Set 1.3: A2058 MET CE :methyl 159:sc= -20.2! (180deg=-16.1!) USER MOD Single : A2024 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.7) USER MOD Single : A2028 HIS : no HD1:sc= -0.675 K(o=-0.67,f=-0.1) USER MOD Single : A2035 SER OG : rot -87:sc= 0.94 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.0305 K(o=-0.03,f=-1) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -108:sc= -1.99 (180deg=-4.99!) USER MOD Single : A2055 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-0.78) USER MOD Single : A2063 GLN : amide:sc= -3.25! C(o=-3.3!,f=-0.8!) 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 98:sc= 1.25 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.863 K(o=-0.86,f=-1.4!) USER MOD Single : A2072 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.0039) USER MOD Single : A2074 TYR OH : rot 165:sc= -0.0223 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A2085 CYS SG : rot -89:sc= -1.36! USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= -1.98! USER MOD Single : A2089 MET CE :methyl 143:sc= -7.62! (180deg=-11.9!) 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= -0.037 X(o=-0.037,f=0) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 77:sc= 0.0199 USER MOD Single : A2099 GLN : amide:sc= -0.084 K(o=-0.084,f=-1) USER MOD Single : A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.49) USER MOD Single : A2112 SER OG : rot -5:sc= -0.149 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -7.525 -12.759 2.026 1.00 62.40 N ATOM 144 CA LEU A2022 -6.073 -12.758 2.064 1.00 51.21 C ATOM 145 C LEU A2022 -5.575 -11.326 2.270 1.00 74.04 C ATOM 146 O LEU A2022 -6.371 -10.389 2.335 1.00 24.30 O ATOM 147 CB LEU A2022 -5.502 -13.434 0.816 1.00 30.11 C ATOM 148 CG LEU A2022 -4.354 -14.417 1.053 1.00 62.01 C ATOM 149 CD1 LEU A2022 -4.423 -15.587 0.070 1.00 64.30 C ATOM 150 CD2 LEU A2022 -3.002 -13.704 1.001 1.00 63.13 C ATOM 0 HA LEU A2022 -5.714 -13.347 2.908 1.00 51.21 H new ATOM 0 HB2 LEU A2022 -6.310 -13.964 0.312 1.00 30.11 H new ATOM 0 HB3 LEU A2022 -5.155 -12.658 0.133 1.00 30.11 H new ATOM 0 HG LEU A2022 -4.461 -14.832 2.055 1.00 62.01 H new ATOM 0 HD11 LEU A2022 -3.596 -16.271 0.260 1.00 64.30 H new ATOM 0 HD12 LEU A2022 -5.368 -16.115 0.199 1.00 64.30 H new ATOM 0 HD13 LEU A2022 -4.355 -15.210 -0.950 1.00 64.30 H new ATOM 0 HD21 LEU A2022 -2.203 -14.426 1.173 1.00 63.13 H new ATOM 0 HD22 LEU A2022 -2.871 -13.244 0.022 1.00 63.13 H new ATOM 0 HD23 LEU A2022 -2.967 -12.934 1.772 1.00 63.13 H new ATOM 162 N TRP A2023 -4.260 -11.199 2.368 1.00 50.42 N ATOM 163 CA TRP A2023 -3.645 -9.896 2.564 1.00 54.23 C ATOM 164 C TRP A2023 -4.259 -8.926 1.554 1.00 11.33 C ATOM 165 O TRP A2023 -4.590 -7.793 1.897 1.00 21.13 O ATOM 166 CB TRP A2023 -2.121 -9.987 2.459 1.00 71.24 C ATOM 167 CG TRP A2023 -1.424 -10.306 3.782 1.00 44.43 C ATOM 168 CD1 TRP A2023 -1.978 -10.720 4.929 1.00 44.11 C ATOM 169 CD2 TRP A2023 -0.007 -10.218 4.049 1.00 61.22 C ATOM 170 NE1 TRP A2023 -1.027 -10.907 5.913 1.00 60.55 N ATOM 171 CE2 TRP A2023 0.208 -10.590 5.360 1.00 25.44 C ATOM 172 CE3 TRP A2023 1.056 -9.837 3.212 1.00 74.54 C ATOM 173 CZ2 TRP A2023 1.478 -10.618 5.950 1.00 21.35 C ATOM 174 CZ3 TRP A2023 2.317 -9.870 3.815 1.00 53.51 C ATOM 175 CH2 TRP A2023 2.552 -10.242 5.134 1.00 31.02 C ATOM 0 H TRP A2023 -3.602 -11.977 2.315 1.00 50.42 H new ATOM 0 HA TRP A2023 -3.844 -9.523 3.568 1.00 54.23 H new ATOM 0 HB2 TRP A2023 -1.863 -10.755 1.730 1.00 71.24 H new ATOM 0 HB3 TRP A2023 -1.736 -9.042 2.076 1.00 71.24 H new ATOM 0 HD1 TRP A2023 -3.036 -10.887 5.067 1.00 44.11 H new ATOM 0 HE1 TRP A2023 -1.199 -11.220 6.868 1.00 60.55 H new ATOM 0 HE3 TRP A2023 0.910 -9.542 2.183 1.00 74.54 H new ATOM 0 HZ2 TRP A2023 1.621 -10.914 6.979 1.00 21.35 H new ATOM 0 HZ3 TRP A2023 3.168 -9.587 3.214 1.00 53.51 H new ATOM 0 HH2 TRP A2023 3.558 -10.241 5.527 1.00 31.02 H new ATOM 186 N HIS A2024 -4.391 -9.407 0.326 1.00 11.32 N ATOM 187 CA HIS A2024 -4.958 -8.596 -0.739 1.00 0.51 C ATOM 188 C HIS A2024 -6.244 -7.930 -0.245 1.00 51.20 C ATOM 189 O HIS A2024 -6.660 -6.903 -0.781 1.00 10.24 O ATOM 190 CB HIS A2024 -5.170 -9.432 -2.003 1.00 44.13 C ATOM 191 CG HIS A2024 -4.126 -10.500 -2.215 1.00 54.21 C ATOM 192 ND1 HIS A2024 -4.410 -11.852 -2.144 1.00 53.12 N ATOM 193 CD2 HIS A2024 -2.795 -10.402 -2.499 1.00 61.34 C ATOM 194 CE1 HIS A2024 -3.294 -12.527 -2.374 1.00 21.55 C ATOM 195 NE2 HIS A2024 -2.294 -11.628 -2.594 1.00 0.43 N ATOM 0 H HIS A2024 -4.115 -10.348 0.045 1.00 11.32 H new ATOM 0 HA HIS A2024 -4.260 -7.804 -1.011 1.00 0.51 H new ATOM 0 HB2 HIS A2024 -6.152 -9.903 -1.954 1.00 44.13 H new ATOM 0 HB3 HIS A2024 -5.177 -8.769 -2.868 1.00 44.13 H new ATOM 0 HD2 HIS A2024 -2.242 -9.483 -2.625 1.00 61.34 H new ATOM 0 HE1 HIS A2024 -3.194 -13.602 -2.385 1.00 21.55 H new ATOM 0 HE2 HIS A2024 -1.322 -11.859 -2.798 1.00 0.43 H new ATOM 204 N GLU A2025 -6.837 -8.541 0.770 1.00 54.23 N ATOM 205 CA GLU A2025 -8.069 -8.020 1.340 1.00 2.33 C ATOM 206 C GLU A2025 -7.790 -6.728 2.113 1.00 64.05 C ATOM 207 O GLU A2025 -8.608 -5.811 2.110 1.00 70.30 O ATOM 208 CB GLU A2025 -8.740 -9.061 2.238 1.00 10.12 C ATOM 209 CG GLU A2025 -10.187 -8.670 2.542 1.00 13.20 C ATOM 210 CD GLU A2025 -10.578 -9.080 3.965 1.00 62.11 C ATOM 211 OE1 GLU A2025 -11.515 -9.873 4.146 1.00 5.41 O ATOM 212 OE2 GLU A2025 -9.870 -8.546 4.900 1.00 41.33 O ATOM 0 H GLU A2025 -6.488 -9.391 1.212 1.00 54.23 H new ATOM 0 HA GLU A2025 -8.757 -7.793 0.525 1.00 2.33 H new ATOM 0 HB2 GLU A2025 -8.717 -10.036 1.751 1.00 10.12 H new ATOM 0 HB3 GLU A2025 -8.182 -9.157 3.169 1.00 10.12 H new ATOM 0 HG2 GLU A2025 -10.309 -7.593 2.423 1.00 13.20 H new ATOM 0 HG3 GLU A2025 -10.855 -9.148 1.825 1.00 13.20 H new ATOM 220 N MET A2026 -6.631 -6.698 2.754 1.00 33.54 N ATOM 221 CA MET A2026 -6.236 -5.536 3.529 1.00 13.31 C ATOM 222 C MET A2026 -5.812 -4.385 2.614 1.00 40.02 C ATOM 223 O MET A2026 -5.994 -3.217 2.952 1.00 20.31 O ATOM 224 CB MET A2026 -5.073 -5.908 4.452 1.00 51.51 C ATOM 225 CG MET A2026 -3.733 -5.783 3.723 1.00 64.42 C ATOM 226 SD MET A2026 -3.063 -4.146 3.951 1.00 54.44 S ATOM 227 CE MET A2026 -1.320 -4.528 4.003 1.00 41.55 C ATOM 0 H MET A2026 -5.953 -7.460 2.752 1.00 33.54 H new ATOM 0 HA MET A2026 -7.091 -5.210 4.121 1.00 13.31 H new ATOM 0 HB2 MET A2026 -5.077 -5.259 5.327 1.00 51.51 H new ATOM 0 HB3 MET A2026 -5.202 -6.929 4.812 1.00 51.51 H new ATOM 0 HG2 MET A2026 -3.033 -6.527 4.102 1.00 64.42 H new ATOM 0 HG3 MET A2026 -3.868 -5.985 2.660 1.00 64.42 H new ATOM 0 HE1 MET A2026 -0.753 -3.698 3.582 1.00 41.55 H new ATOM 0 HE2 MET A2026 -1.014 -4.690 5.036 1.00 41.55 H new ATOM 0 HE3 MET A2026 -1.128 -5.430 3.422 1.00 41.55 H new ATOM 237 N TRP A2027 -5.254 -4.757 1.470 1.00 71.32 N ATOM 238 CA TRP A2027 -4.804 -3.769 0.502 1.00 73.20 C ATOM 239 C TRP A2027 -6.039 -3.175 -0.177 1.00 21.31 C ATOM 240 O TRP A2027 -6.078 -1.979 -0.465 1.00 30.33 O ATOM 241 CB TRP A2027 -3.815 -4.386 -0.489 1.00 24.30 C ATOM 242 CG TRP A2027 -2.496 -4.834 0.143 1.00 40.30 C ATOM 243 CD1 TRP A2027 -2.255 -5.949 0.845 1.00 10.42 C ATOM 244 CD2 TRP A2027 -1.240 -4.127 0.104 1.00 43.44 C ATOM 245 NE1 TRP A2027 -0.941 -6.012 1.259 1.00 1.33 N ATOM 246 CE2 TRP A2027 -0.302 -4.868 0.794 1.00 44.13 C ATOM 247 CE3 TRP A2027 -0.906 -2.899 -0.496 1.00 61.22 C ATOM 248 CZ2 TRP A2027 1.029 -4.468 0.949 1.00 11.50 C ATOM 249 CZ3 TRP A2027 0.430 -2.511 -0.332 1.00 2.13 C ATOM 250 CH2 TRP A2027 1.385 -3.248 0.359 1.00 14.23 C ATOM 0 H TRP A2027 -5.103 -5.727 1.192 1.00 71.32 H new ATOM 0 HA TRP A2027 -4.259 -2.965 0.996 1.00 73.20 H new ATOM 0 HB2 TRP A2027 -4.286 -5.244 -0.969 1.00 24.30 H new ATOM 0 HB3 TRP A2027 -3.602 -3.659 -1.273 1.00 24.30 H new ATOM 0 HD1 TRP A2027 -2.997 -6.704 1.060 1.00 10.42 H new ATOM 0 HE1 TRP A2027 -0.516 -6.761 1.806 1.00 1.33 H new ATOM 0 HE3 TRP A2027 -1.623 -2.302 -1.040 1.00 61.22 H new ATOM 0 HZ2 TRP A2027 1.744 -5.067 1.494 1.00 11.50 H new ATOM 0 HZ3 TRP A2027 0.739 -1.575 -0.773 1.00 2.13 H new ATOM 0 HH2 TRP A2027 2.398 -2.882 0.441 1.00 14.23 H new ATOM 261 N HIS A2028 -7.018 -4.036 -0.413 1.00 35.31 N ATOM 262 CA HIS A2028 -8.252 -3.611 -1.053 1.00 50.42 C ATOM 263 C HIS A2028 -9.035 -2.703 -0.104 1.00 34.31 C ATOM 264 O HIS A2028 -9.358 -1.568 -0.449 1.00 52.34 O ATOM 265 CB HIS A2028 -9.065 -4.819 -1.524 1.00 4.12 C ATOM 266 CG HIS A2028 -10.557 -4.651 -1.374 1.00 10.15 C ATOM 267 ND1 HIS A2028 -11.360 -4.151 -2.384 1.00 14.14 N ATOM 268 CD2 HIS A2028 -11.384 -4.922 -0.323 1.00 3.55 C ATOM 269 CE1 HIS A2028 -12.611 -4.127 -1.950 1.00 74.13 C ATOM 270 NE2 HIS A2028 -12.624 -4.604 -0.672 1.00 5.24 N ATOM 0 H HIS A2028 -6.982 -5.027 -0.172 1.00 35.31 H new ATOM 0 HA HIS A2028 -8.021 -3.032 -1.947 1.00 50.42 H new ATOM 0 HB2 HIS A2028 -8.835 -5.013 -2.572 1.00 4.12 H new ATOM 0 HB3 HIS A2028 -8.750 -5.698 -0.961 1.00 4.12 H new ATOM 0 HD2 HIS A2028 -11.081 -5.327 0.631 1.00 3.55 H new ATOM 0 HE1 HIS A2028 -13.470 -3.789 -2.510 1.00 74.13 H new ATOM 0 HE2 HIS A2028 -13.451 -4.700 -0.082 1.00 5.24 H new ATOM 279 N GLU A2029 -9.320 -3.239 1.075 1.00 62.15 N ATOM 280 CA GLU A2029 -10.059 -2.489 2.077 1.00 11.41 C ATOM 281 C GLU A2029 -9.204 -1.347 2.626 1.00 13.52 C ATOM 282 O GLU A2029 -9.715 -0.266 2.915 1.00 20.11 O ATOM 283 CB GLU A2029 -10.537 -3.406 3.204 1.00 30.05 C ATOM 284 CG GLU A2029 -9.358 -3.901 4.045 1.00 25.04 C ATOM 285 CD GLU A2029 -9.130 -2.997 5.256 1.00 11.31 C ATOM 286 OE1 GLU A2029 -10.098 -2.493 5.846 1.00 31.25 O ATOM 287 OE2 GLU A2029 -7.894 -2.823 5.583 1.00 12.11 O ATOM 0 H GLU A2029 -9.053 -4.182 1.358 1.00 62.15 H new ATOM 0 HA GLU A2029 -10.941 -2.059 1.602 1.00 11.41 H new ATOM 0 HB2 GLU A2029 -11.242 -2.870 3.839 1.00 30.05 H new ATOM 0 HB3 GLU A2029 -11.071 -4.258 2.783 1.00 30.05 H new ATOM 0 HG2 GLU A2029 -9.548 -4.921 4.379 1.00 25.04 H new ATOM 0 HG3 GLU A2029 -8.457 -3.929 3.433 1.00 25.04 H new ATOM 295 N GLY A2030 -7.914 -1.624 2.753 1.00 45.41 N ATOM 296 CA GLY A2030 -6.981 -0.631 3.262 1.00 21.54 C ATOM 297 C GLY A2030 -6.992 0.627 2.393 1.00 65.24 C ATOM 298 O GLY A2030 -7.382 1.699 2.851 1.00 61.24 O ATOM 0 H GLY A2030 -7.493 -2.521 2.512 1.00 45.41 H new ATOM 0 HA2 GLY A2030 -7.244 -0.371 4.287 1.00 21.54 H new ATOM 0 HA3 GLY A2030 -5.975 -1.051 3.288 1.00 21.54 H new ATOM 302 N LEU A2031 -6.557 0.455 1.153 1.00 24.20 N ATOM 303 CA LEU A2031 -6.511 1.564 0.215 1.00 4.44 C ATOM 304 C LEU A2031 -7.927 2.102 0.000 1.00 44.44 C ATOM 305 O LEU A2031 -8.110 3.291 -0.261 1.00 51.41 O ATOM 306 CB LEU A2031 -5.809 1.144 -1.079 1.00 33.32 C ATOM 307 CG LEU A2031 -4.709 2.080 -1.580 1.00 3.30 C ATOM 308 CD1 LEU A2031 -3.670 2.341 -0.488 1.00 73.32 C ATOM 309 CD2 LEU A2031 -4.071 1.540 -2.861 1.00 61.10 C ATOM 0 H LEU A2031 -6.233 -0.436 0.776 1.00 24.20 H new ATOM 0 HA LEU A2031 -5.916 2.382 0.621 1.00 4.44 H new ATOM 0 HB2 LEU A2031 -5.376 0.155 -0.929 1.00 33.32 H new ATOM 0 HB3 LEU A2031 -6.561 1.048 -1.862 1.00 33.32 H new ATOM 0 HG LEU A2031 -5.164 3.039 -1.826 1.00 3.30 H new ATOM 0 HD11 LEU A2031 -2.899 3.010 -0.871 1.00 73.32 H new ATOM 0 HD12 LEU A2031 -4.155 2.802 0.373 1.00 73.32 H new ATOM 0 HD13 LEU A2031 -3.215 1.398 -0.186 1.00 73.32 H new ATOM 0 HD21 LEU A2031 -3.292 2.225 -3.196 1.00 61.10 H new ATOM 0 HD22 LEU A2031 -3.634 0.561 -2.665 1.00 61.10 H new ATOM 0 HD23 LEU A2031 -4.832 1.449 -3.636 1.00 61.10 H new ATOM 321 N GLU A2032 -8.892 1.202 0.114 1.00 72.24 N ATOM 322 CA GLU A2032 -10.286 1.573 -0.066 1.00 12.54 C ATOM 323 C GLU A2032 -10.643 2.751 0.843 1.00 33.32 C ATOM 324 O GLU A2032 -11.177 3.758 0.380 1.00 22.51 O ATOM 325 CB GLU A2032 -11.208 0.380 0.195 1.00 61.04 C ATOM 326 CG GLU A2032 -11.552 -0.341 -1.109 1.00 1.15 C ATOM 327 CD GLU A2032 -12.691 0.367 -1.845 1.00 72.32 C ATOM 328 OE1 GLU A2032 -13.594 0.924 -1.200 1.00 0.52 O ATOM 329 OE2 GLU A2032 -12.618 0.327 -3.131 1.00 41.20 O ATOM 0 H GLU A2032 -8.737 0.217 0.329 1.00 72.24 H new ATOM 0 HA GLU A2032 -10.429 1.882 -1.101 1.00 12.54 H new ATOM 0 HB2 GLU A2032 -10.725 -0.314 0.882 1.00 61.04 H new ATOM 0 HB3 GLU A2032 -12.123 0.722 0.678 1.00 61.04 H new ATOM 0 HG2 GLU A2032 -10.671 -0.382 -1.749 1.00 1.15 H new ATOM 0 HG3 GLU A2032 -11.838 -1.371 -0.894 1.00 1.15 H new ATOM 337 N GLU A2033 -10.333 2.586 2.122 1.00 53.01 N ATOM 338 CA GLU A2033 -10.614 3.624 3.098 1.00 34.13 C ATOM 339 C GLU A2033 -9.628 4.783 2.943 1.00 20.22 C ATOM 340 O GLU A2033 -10.033 5.939 2.845 1.00 72.23 O ATOM 341 CB GLU A2033 -10.578 3.061 4.521 1.00 3.14 C ATOM 342 CG GLU A2033 -11.492 3.861 5.452 1.00 43.41 C ATOM 343 CD GLU A2033 -12.037 2.980 6.578 1.00 62.55 C ATOM 344 OE1 GLU A2033 -12.117 1.753 6.420 1.00 74.21 O ATOM 345 OE2 GLU A2033 -12.383 3.614 7.646 1.00 63.13 O ATOM 0 H GLU A2033 -9.891 1.750 2.503 1.00 53.01 H new ATOM 0 HA GLU A2033 -11.620 4.003 2.916 1.00 34.13 H new ATOM 0 HB2 GLU A2033 -10.889 2.016 4.510 1.00 3.14 H new ATOM 0 HB3 GLU A2033 -9.556 3.086 4.900 1.00 3.14 H new ATOM 0 HG2 GLU A2033 -10.940 4.699 5.877 1.00 43.41 H new ATOM 0 HG3 GLU A2033 -12.320 4.281 4.881 1.00 43.41 H new ATOM 353 N ALA A2034 -8.350 4.431 2.924 1.00 54.42 N ATOM 354 CA ALA A2034 -7.301 5.427 2.782 1.00 61.43 C ATOM 355 C ALA A2034 -7.607 6.313 1.571 1.00 62.13 C ATOM 356 O ALA A2034 -7.451 7.532 1.634 1.00 24.51 O ATOM 357 CB ALA A2034 -5.946 4.730 2.666 1.00 11.11 C ATOM 0 H ALA A2034 -8.018 3.470 3.005 1.00 54.42 H new ATOM 0 HA ALA A2034 -7.261 6.070 3.661 1.00 61.43 H new ATOM 0 HB1 ALA A2034 -5.160 5.478 2.560 1.00 11.11 H new ATOM 0 HB2 ALA A2034 -5.764 4.137 3.562 1.00 11.11 H new ATOM 0 HB3 ALA A2034 -5.946 4.077 1.793 1.00 11.11 H new ATOM 363 N SER A2035 -8.037 5.665 0.499 1.00 43.51 N ATOM 364 CA SER A2035 -8.365 6.377 -0.724 1.00 2.44 C ATOM 365 C SER A2035 -9.669 7.156 -0.544 1.00 31.32 C ATOM 366 O SER A2035 -9.739 8.341 -0.864 1.00 4.30 O ATOM 367 CB SER A2035 -8.481 5.416 -1.909 1.00 1.21 C ATOM 368 OG SER A2035 -9.636 4.586 -1.811 1.00 3.52 O ATOM 0 H SER A2035 -8.166 4.654 0.452 1.00 43.51 H new ATOM 0 HA SER A2035 -7.557 7.077 -0.937 1.00 2.44 H new ATOM 0 HB2 SER A2035 -8.522 5.987 -2.836 1.00 1.21 H new ATOM 0 HB3 SER A2035 -7.589 4.792 -1.959 1.00 1.21 H new ATOM 0 HG SER A2035 -9.421 3.787 -1.286 1.00 3.52 H new ATOM 374 N ARG A2036 -10.671 6.457 -0.028 1.00 15.52 N ATOM 375 CA ARG A2036 -11.969 7.068 0.201 1.00 72.14 C ATOM 376 C ARG A2036 -11.810 8.380 0.971 1.00 14.04 C ATOM 377 O ARG A2036 -12.326 9.416 0.555 1.00 72.32 O ATOM 378 CB ARG A2036 -12.889 6.131 0.985 1.00 0.25 C ATOM 379 CG ARG A2036 -14.000 5.580 0.093 1.00 31.03 C ATOM 380 CD ARG A2036 -15.195 5.115 0.929 1.00 33.44 C ATOM 381 NE ARG A2036 -16.429 5.147 0.112 1.00 73.34 N ATOM 382 CZ ARG A2036 -16.680 4.306 -0.914 1.00 31.44 C ATOM 383 NH1 ARG A2036 -15.786 3.357 -1.256 1.00 4.30 N ATOM 384 NH2 ARG A2036 -17.817 4.426 -1.575 1.00 44.32 N ATOM 0 H ARG A2036 -10.609 5.474 0.238 1.00 15.52 H new ATOM 0 HA ARG A2036 -12.418 7.267 -0.772 1.00 72.14 H new ATOM 0 HB2 ARG A2036 -12.308 5.307 1.398 1.00 0.25 H new ATOM 0 HB3 ARG A2036 -13.326 6.667 1.828 1.00 0.25 H new ATOM 0 HG2 ARG A2036 -14.321 6.348 -0.611 1.00 31.03 H new ATOM 0 HG3 ARG A2036 -13.618 4.747 -0.497 1.00 31.03 H new ATOM 0 HD2 ARG A2036 -15.020 4.104 1.298 1.00 33.44 H new ATOM 0 HD3 ARG A2036 -15.310 5.758 1.802 1.00 33.44 H new ATOM 0 HE ARG A2036 -17.134 5.849 0.338 1.00 73.34 H new ATOM 0 HH11 ARG A2036 -14.912 3.270 -0.738 1.00 4.30 H new ATOM 0 HH12 ARG A2036 -15.984 2.726 -2.033 1.00 4.30 H new ATOM 0 HH21 ARG A2036 -18.489 5.145 -1.308 1.00 44.32 H new ATOM 0 HH22 ARG A2036 -18.023 3.799 -2.353 1.00 44.32 H new ATOM 396 N LEU A2037 -11.094 8.294 2.083 1.00 13.31 N ATOM 397 CA LEU A2037 -10.860 9.461 2.916 1.00 24.13 C ATOM 398 C LEU A2037 -9.950 10.439 2.171 1.00 52.55 C ATOM 399 O LEU A2037 -10.227 11.637 2.125 1.00 34.03 O ATOM 400 CB LEU A2037 -10.323 9.042 4.285 1.00 55.23 C ATOM 401 CG LEU A2037 -8.929 8.413 4.296 1.00 70.40 C ATOM 402 CD1 LEU A2037 -7.847 9.479 4.483 1.00 42.22 C ATOM 403 CD2 LEU A2037 -8.832 7.308 5.350 1.00 41.03 C ATOM 0 H LEU A2037 -10.668 7.433 2.426 1.00 13.31 H new ATOM 0 HA LEU A2037 -11.796 9.983 3.113 1.00 24.13 H new ATOM 0 HB2 LEU A2037 -10.309 9.920 4.931 1.00 55.23 H new ATOM 0 HB3 LEU A2037 -11.023 8.333 4.726 1.00 55.23 H new ATOM 0 HG LEU A2037 -8.759 7.947 3.325 1.00 70.40 H new ATOM 0 HD11 LEU A2037 -6.866 9.005 4.487 1.00 42.22 H new ATOM 0 HD12 LEU A2037 -7.899 10.198 3.665 1.00 42.22 H new ATOM 0 HD13 LEU A2037 -8.004 9.995 5.430 1.00 42.22 H new ATOM 0 HD21 LEU A2037 -7.830 6.878 5.336 1.00 41.03 H new ATOM 0 HD22 LEU A2037 -9.033 7.727 6.336 1.00 41.03 H new ATOM 0 HD23 LEU A2037 -9.563 6.530 5.130 1.00 41.03 H new ATOM 415 N TYR A2038 -8.883 9.894 1.608 1.00 10.00 N ATOM 416 CA TYR A2038 -7.930 10.706 0.869 1.00 24.43 C ATOM 417 C TYR A2038 -8.631 11.516 -0.223 1.00 24.51 C ATOM 418 O TYR A2038 -8.465 12.731 -0.303 1.00 31.33 O ATOM 419 CB TYR A2038 -6.958 9.721 0.212 1.00 73.32 C ATOM 420 CG TYR A2038 -6.077 10.346 -0.871 1.00 61.43 C ATOM 421 CD1 TYR A2038 -5.190 11.350 -0.543 1.00 41.23 C ATOM 422 CD2 TYR A2038 -6.170 9.905 -2.175 1.00 2.43 C ATOM 423 CE1 TYR A2038 -4.360 11.939 -1.561 1.00 5.13 C ATOM 424 CE2 TYR A2038 -5.339 10.493 -3.194 1.00 64.01 C ATOM 425 CZ TYR A2038 -4.476 11.481 -2.837 1.00 3.04 C ATOM 426 OH TYR A2038 -3.692 12.036 -3.800 1.00 1.32 O ATOM 0 H TYR A2038 -8.656 8.900 1.648 1.00 10.00 H new ATOM 0 HA TYR A2038 -7.428 11.410 1.533 1.00 24.43 H new ATOM 0 HB2 TYR A2038 -6.319 9.289 0.982 1.00 73.32 H new ATOM 0 HB3 TYR A2038 -7.528 8.901 -0.226 1.00 73.32 H new ATOM 0 HD1 TYR A2038 -5.118 11.694 0.478 1.00 41.23 H new ATOM 0 HD2 TYR A2038 -6.865 9.119 -2.432 1.00 2.43 H new ATOM 0 HE1 TYR A2038 -3.662 12.726 -1.318 1.00 5.13 H new ATOM 0 HE2 TYR A2038 -5.400 10.157 -4.218 1.00 64.01 H new ATOM 0 HH TYR A2038 -3.882 11.610 -4.662 1.00 1.32 H new ATOM 501 N ASN A2043 -7.580 14.799 3.914 1.00 60.10 N ATOM 502 CA ASN A2043 -6.872 14.349 5.101 1.00 51.10 C ATOM 503 C ASN A2043 -6.213 12.999 4.814 1.00 45.31 C ATOM 504 O ASN A2043 -6.796 11.951 5.079 1.00 22.40 O ATOM 505 CB ASN A2043 -7.830 14.167 6.279 1.00 1.42 C ATOM 506 CG ASN A2043 -8.049 15.488 7.017 1.00 51.22 C ATOM 507 OD1 ASN A2043 -7.694 16.558 6.548 1.00 72.34 O ATOM 508 ND2 ASN A2043 -8.654 15.358 8.194 1.00 54.12 N ATOM 0 HA ASN A2043 -6.128 15.103 5.356 1.00 51.10 H new ATOM 0 HB2 ASN A2043 -8.785 13.785 5.920 1.00 1.42 H new ATOM 0 HB3 ASN A2043 -7.428 13.424 6.968 1.00 1.42 H new ATOM 0 HD21 ASN A2043 -8.847 16.183 8.762 1.00 54.12 H new ATOM 0 HD22 ASN A2043 -8.925 14.433 8.529 1.00 54.12 H new ATOM 515 N VAL A2044 -5.003 13.069 4.275 1.00 12.21 N ATOM 516 CA VAL A2044 -4.257 11.865 3.950 1.00 31.43 C ATOM 517 C VAL A2044 -3.919 11.117 5.240 1.00 3.20 C ATOM 518 O VAL A2044 -3.492 9.963 5.197 1.00 14.22 O ATOM 519 CB VAL A2044 -3.020 12.224 3.124 1.00 23.51 C ATOM 520 CG1 VAL A2044 -3.414 12.930 1.824 1.00 1.14 C ATOM 521 CG2 VAL A2044 -2.046 13.076 3.938 1.00 2.02 C ATOM 0 H VAL A2044 -4.522 13.941 4.056 1.00 12.21 H new ATOM 0 HA VAL A2044 -4.859 11.196 3.335 1.00 31.43 H new ATOM 0 HB VAL A2044 -2.513 11.296 2.860 1.00 23.51 H new ATOM 0 HG11 VAL A2044 -2.516 13.174 1.256 1.00 1.14 H new ATOM 0 HG12 VAL A2044 -4.051 12.273 1.232 1.00 1.14 H new ATOM 0 HG13 VAL A2044 -3.956 13.846 2.057 1.00 1.14 H new ATOM 0 HG21 VAL A2044 -1.176 13.317 3.328 1.00 2.02 H new ATOM 0 HG22 VAL A2044 -2.539 13.998 4.247 1.00 2.02 H new ATOM 0 HG23 VAL A2044 -1.728 12.521 4.821 1.00 2.02 H new ATOM 531 N LYS A2045 -4.120 11.801 6.355 1.00 71.20 N ATOM 532 CA LYS A2045 -3.842 11.215 7.656 1.00 44.13 C ATOM 533 C LYS A2045 -4.524 9.849 7.750 1.00 50.43 C ATOM 534 O LYS A2045 -3.958 8.907 8.304 1.00 35.23 O ATOM 535 CB LYS A2045 -4.238 12.180 8.774 1.00 24.00 C ATOM 536 CG LYS A2045 -5.758 12.348 8.840 1.00 74.30 C ATOM 537 CD LYS A2045 -6.370 11.404 9.877 1.00 31.11 C ATOM 538 CE LYS A2045 -7.852 11.161 9.590 1.00 22.54 C ATOM 539 NZ LYS A2045 -8.670 11.469 10.784 1.00 33.11 N ATOM 0 H LYS A2045 -4.473 12.758 6.386 1.00 71.20 H new ATOM 0 HA LYS A2045 -2.772 11.046 7.778 1.00 44.13 H new ATOM 0 HB2 LYS A2045 -3.868 11.807 9.729 1.00 24.00 H new ATOM 0 HB3 LYS A2045 -3.768 13.149 8.606 1.00 24.00 H new ATOM 0 HG2 LYS A2045 -6.003 13.380 9.093 1.00 74.30 H new ATOM 0 HG3 LYS A2045 -6.192 12.148 7.860 1.00 74.30 H new ATOM 0 HD2 LYS A2045 -5.834 10.455 9.871 1.00 31.11 H new ATOM 0 HD3 LYS A2045 -6.254 11.829 10.874 1.00 31.11 H new ATOM 0 HE2 LYS A2045 -8.172 11.781 8.753 1.00 22.54 H new ATOM 0 HE3 LYS A2045 -8.006 10.123 9.295 1.00 22.54 H new ATOM 0 HZ1 LYS A2045 -9.673 11.298 10.571 1.00 33.11 H new ATOM 0 HZ2 LYS A2045 -8.375 10.859 11.573 1.00 33.11 H new ATOM 0 HZ3 LYS A2045 -8.537 12.466 11.048 1.00 33.11 H new ATOM 552 N GLY A2046 -5.727 9.785 7.203 1.00 22.31 N ATOM 553 CA GLY A2046 -6.492 8.550 7.219 1.00 25.53 C ATOM 554 C GLY A2046 -5.696 7.402 6.594 1.00 51.24 C ATOM 555 O GLY A2046 -5.666 6.298 7.133 1.00 14.43 O ATOM 0 H GLY A2046 -6.192 10.569 6.745 1.00 22.31 H new ATOM 0 HA2 GLY A2046 -6.758 8.296 8.245 1.00 25.53 H new ATOM 0 HA3 GLY A2046 -7.425 8.689 6.673 1.00 25.53 H new ATOM 559 N MET A2047 -5.068 7.705 5.468 1.00 44.55 N ATOM 560 CA MET A2047 -4.271 6.714 4.763 1.00 35.22 C ATOM 561 C MET A2047 -3.055 6.299 5.594 1.00 63.40 C ATOM 562 O MET A2047 -2.858 5.114 5.864 1.00 62.42 O ATOM 563 CB MET A2047 -3.805 7.289 3.426 1.00 5.40 C ATOM 564 CG MET A2047 -2.702 6.424 2.812 1.00 43.12 C ATOM 565 SD MET A2047 -1.889 7.314 1.495 1.00 43.12 S ATOM 566 CE MET A2047 -1.240 8.703 2.414 1.00 64.04 C ATOM 0 H MET A2047 -5.095 8.624 5.025 1.00 44.55 H new ATOM 0 HA MET A2047 -4.889 5.833 4.592 1.00 35.22 H new ATOM 0 HB2 MET A2047 -4.649 7.351 2.739 1.00 5.40 H new ATOM 0 HB3 MET A2047 -3.437 8.305 3.571 1.00 5.40 H new ATOM 0 HG2 MET A2047 -1.977 6.148 3.577 1.00 43.12 H new ATOM 0 HG3 MET A2047 -3.127 5.497 2.427 1.00 43.12 H new ATOM 0 HE1 MET A2047 -1.805 9.601 2.163 1.00 64.04 H new ATOM 0 HE2 MET A2047 -1.328 8.506 3.482 1.00 64.04 H new ATOM 0 HE3 MET A2047 -0.191 8.851 2.158 1.00 64.04 H new ATOM 576 N PHE A2048 -2.271 7.296 5.975 1.00 12.04 N ATOM 577 CA PHE A2048 -1.078 7.048 6.770 1.00 33.31 C ATOM 578 C PHE A2048 -1.400 6.175 7.984 1.00 1.11 C ATOM 579 O PHE A2048 -0.671 5.232 8.286 1.00 4.01 O ATOM 580 CB PHE A2048 -0.574 8.408 7.254 1.00 51.31 C ATOM 581 CG PHE A2048 0.273 9.160 6.225 1.00 61.23 C ATOM 582 CD1 PHE A2048 1.593 8.866 6.085 1.00 3.43 C ATOM 583 CD2 PHE A2048 -0.296 10.123 5.449 1.00 43.50 C ATOM 584 CE1 PHE A2048 2.379 9.563 5.130 1.00 60.10 C ATOM 585 CE2 PHE A2048 0.490 10.820 4.494 1.00 40.03 C ATOM 586 CZ PHE A2048 1.811 10.525 4.356 1.00 41.35 C ATOM 0 H PHE A2048 -2.437 8.277 5.749 1.00 12.04 H new ATOM 0 HA PHE A2048 -0.332 6.527 6.170 1.00 33.31 H new ATOM 0 HB2 PHE A2048 -1.430 9.026 7.526 1.00 51.31 H new ATOM 0 HB3 PHE A2048 0.016 8.264 8.159 1.00 51.31 H new ATOM 0 HD1 PHE A2048 2.044 8.102 6.701 1.00 3.43 H new ATOM 0 HD2 PHE A2048 -1.345 10.357 5.560 1.00 43.50 H new ATOM 0 HE1 PHE A2048 3.427 9.329 5.019 1.00 60.10 H new ATOM 0 HE2 PHE A2048 0.040 11.584 3.877 1.00 40.03 H new ATOM 0 HZ PHE A2048 2.409 11.056 3.630 1.00 41.35 H new ATOM 596 N GLU A2049 -2.493 6.520 8.649 1.00 71.43 N ATOM 597 CA GLU A2049 -2.920 5.781 9.823 1.00 22.54 C ATOM 598 C GLU A2049 -3.551 4.447 9.412 1.00 52.21 C ATOM 599 O GLU A2049 -3.700 3.547 10.235 1.00 43.41 O ATOM 600 CB GLU A2049 -3.890 6.606 10.670 1.00 64.41 C ATOM 601 CG GLU A2049 -5.180 6.896 9.899 1.00 52.23 C ATOM 602 CD GLU A2049 -6.159 5.725 10.006 1.00 15.34 C ATOM 603 OE1 GLU A2049 -5.824 4.691 10.601 1.00 20.34 O ATOM 604 OE2 GLU A2049 -7.305 5.919 9.448 1.00 53.14 O ATOM 0 H GLU A2049 -3.096 7.303 8.396 1.00 71.43 H new ATOM 0 HA GLU A2049 -2.042 5.573 10.434 1.00 22.54 H new ATOM 0 HB2 GLU A2049 -4.124 6.068 11.589 1.00 64.41 H new ATOM 0 HB3 GLU A2049 -3.417 7.544 10.961 1.00 64.41 H new ATOM 0 HG2 GLU A2049 -5.646 7.801 10.290 1.00 52.23 H new ATOM 0 HG3 GLU A2049 -4.947 7.085 8.851 1.00 52.23 H new ATOM 612 N VAL A2050 -3.902 4.365 8.136 1.00 52.11 N ATOM 613 CA VAL A2050 -4.511 3.157 7.605 1.00 35.40 C ATOM 614 C VAL A2050 -3.414 2.170 7.206 1.00 71.12 C ATOM 615 O VAL A2050 -3.502 0.981 7.512 1.00 33.01 O ATOM 616 CB VAL A2050 -5.448 3.510 6.448 1.00 63.44 C ATOM 617 CG1 VAL A2050 -5.657 2.307 5.526 1.00 72.31 C ATOM 618 CG2 VAL A2050 -6.785 4.044 6.966 1.00 2.24 C ATOM 0 H VAL A2050 -3.776 5.115 7.456 1.00 52.11 H new ATOM 0 HA VAL A2050 -5.123 2.671 8.365 1.00 35.40 H new ATOM 0 HB VAL A2050 -4.976 4.301 5.865 1.00 63.44 H new ATOM 0 HG11 VAL A2050 -6.327 2.584 4.712 1.00 72.31 H new ATOM 0 HG12 VAL A2050 -4.698 1.992 5.115 1.00 72.31 H new ATOM 0 HG13 VAL A2050 -6.096 1.486 6.093 1.00 72.31 H new ATOM 0 HG21 VAL A2050 -7.431 4.287 6.122 1.00 2.24 H new ATOM 0 HG22 VAL A2050 -7.265 3.285 7.584 1.00 2.24 H new ATOM 0 HG23 VAL A2050 -6.613 4.941 7.561 1.00 2.24 H new ATOM 628 N LEU A2051 -2.403 2.698 6.529 1.00 35.13 N ATOM 629 CA LEU A2051 -1.290 1.877 6.086 1.00 72.31 C ATOM 630 C LEU A2051 -0.370 1.589 7.274 1.00 75.04 C ATOM 631 O LEU A2051 0.098 0.465 7.441 1.00 13.51 O ATOM 632 CB LEU A2051 -0.579 2.534 4.901 1.00 73.43 C ATOM 633 CG LEU A2051 -1.443 3.435 4.016 1.00 63.01 C ATOM 634 CD1 LEU A2051 -0.814 3.608 2.632 1.00 24.20 C ATOM 635 CD2 LEU A2051 -2.878 2.909 3.934 1.00 41.35 C ATOM 0 H LEU A2051 -2.333 3.684 6.277 1.00 35.13 H new ATOM 0 HA LEU A2051 -1.647 0.915 5.720 1.00 72.31 H new ATOM 0 HB2 LEU A2051 0.253 3.125 5.284 1.00 73.43 H new ATOM 0 HB3 LEU A2051 -0.152 1.748 4.278 1.00 73.43 H new ATOM 0 HG LEU A2051 -1.489 4.423 4.474 1.00 63.01 H new ATOM 0 HD11 LEU A2051 -1.447 4.252 2.022 1.00 24.20 H new ATOM 0 HD12 LEU A2051 0.172 4.061 2.735 1.00 24.20 H new ATOM 0 HD13 LEU A2051 -0.718 2.634 2.152 1.00 24.20 H new ATOM 0 HD21 LEU A2051 -3.471 3.567 3.299 1.00 41.35 H new ATOM 0 HD22 LEU A2051 -2.874 1.904 3.511 1.00 41.35 H new ATOM 0 HD23 LEU A2051 -3.313 2.880 4.933 1.00 41.35 H new ATOM 647 N GLU A2052 -0.138 2.625 8.066 1.00 41.42 N ATOM 648 CA GLU A2052 0.719 2.497 9.232 1.00 34.34 C ATOM 649 C GLU A2052 0.520 1.130 9.891 1.00 42.44 C ATOM 650 O GLU A2052 1.479 0.384 10.081 1.00 4.30 O ATOM 651 CB GLU A2052 0.457 3.628 10.231 1.00 12.41 C ATOM 652 CG GLU A2052 1.574 4.671 10.182 1.00 4.32 C ATOM 653 CD GLU A2052 2.615 4.414 11.275 1.00 23.13 C ATOM 654 OE1 GLU A2052 2.278 3.862 12.333 1.00 3.11 O ATOM 655 OE2 GLU A2052 3.810 4.807 10.995 1.00 44.25 O ATOM 0 H GLU A2052 -0.528 3.556 7.923 1.00 41.42 H new ATOM 0 HA GLU A2052 1.756 2.575 8.906 1.00 34.34 H new ATOM 0 HB2 GLU A2052 -0.498 4.102 10.007 1.00 12.41 H new ATOM 0 HB3 GLU A2052 0.381 3.218 11.238 1.00 12.41 H new ATOM 0 HG2 GLU A2052 2.055 4.648 9.204 1.00 4.32 H new ATOM 0 HG3 GLU A2052 1.151 5.668 10.305 1.00 4.32 H new ATOM 663 N PRO A2053 -0.764 0.834 10.227 1.00 63.33 N ATOM 664 CA PRO A2053 -1.101 -0.431 10.857 1.00 41.21 C ATOM 665 C PRO A2053 -1.068 -1.576 9.843 1.00 44.50 C ATOM 666 O PRO A2053 -0.415 -2.594 10.074 1.00 61.34 O ATOM 667 CB PRO A2053 -2.478 -0.214 11.463 1.00 52.34 C ATOM 668 CG PRO A2053 -3.058 1.000 10.756 1.00 3.15 C ATOM 669 CD PRO A2053 -1.926 1.693 10.016 1.00 13.33 C ATOM 0 HA PRO A2053 -0.384 -0.722 11.624 1.00 41.21 H new ATOM 0 HB2 PRO A2053 -3.111 -1.090 11.318 1.00 52.34 H new ATOM 0 HB3 PRO A2053 -2.409 -0.044 12.538 1.00 52.34 H new ATOM 0 HG2 PRO A2053 -3.841 0.699 10.060 1.00 3.15 H new ATOM 0 HG3 PRO A2053 -3.515 1.679 11.476 1.00 3.15 H new ATOM 0 HD2 PRO A2053 -2.153 1.799 8.955 1.00 13.33 H new ATOM 0 HD3 PRO A2053 -1.753 2.696 10.407 1.00 13.33 H new ATOM 677 N LEU A2054 -1.776 -1.370 8.744 1.00 25.33 N ATOM 678 CA LEU A2054 -1.836 -2.373 7.694 1.00 44.11 C ATOM 679 C LEU A2054 -0.417 -2.841 7.361 1.00 42.35 C ATOM 680 O LEU A2054 -0.121 -4.032 7.426 1.00 21.11 O ATOM 681 CB LEU A2054 -2.606 -1.839 6.485 1.00 35.42 C ATOM 682 CG LEU A2054 -4.101 -2.168 6.445 1.00 54.40 C ATOM 683 CD1 LEU A2054 -4.642 -2.429 7.852 1.00 75.11 C ATOM 684 CD2 LEU A2054 -4.884 -1.069 5.724 1.00 14.40 C ATOM 0 H LEU A2054 -2.313 -0.524 8.557 1.00 25.33 H new ATOM 0 HA LEU A2054 -2.390 -3.248 8.034 1.00 44.11 H new ATOM 0 HB2 LEU A2054 -2.491 -0.755 6.455 1.00 35.42 H new ATOM 0 HB3 LEU A2054 -2.143 -2.233 5.581 1.00 35.42 H new ATOM 0 HG LEU A2054 -4.235 -3.086 5.873 1.00 54.40 H new ATOM 0 HD11 LEU A2054 -5.706 -2.660 7.796 1.00 75.11 H new ATOM 0 HD12 LEU A2054 -4.111 -3.271 8.296 1.00 75.11 H new ATOM 0 HD13 LEU A2054 -4.496 -1.542 8.468 1.00 75.11 H new ATOM 0 HD21 LEU A2054 -5.943 -1.327 5.709 1.00 14.40 H new ATOM 0 HD22 LEU A2054 -4.748 -0.122 6.247 1.00 14.40 H new ATOM 0 HD23 LEU A2054 -4.519 -0.974 4.701 1.00 14.40 H new ATOM 696 N HIS A2055 0.423 -1.878 7.011 1.00 72.34 N ATOM 697 CA HIS A2055 1.802 -2.174 6.668 1.00 45.52 C ATOM 698 C HIS A2055 2.499 -2.830 7.860 1.00 73.11 C ATOM 699 O HIS A2055 3.099 -3.895 7.725 1.00 2.14 O ATOM 700 CB HIS A2055 2.522 -0.916 6.177 1.00 3.45 C ATOM 701 CG HIS A2055 2.042 -0.416 4.835 1.00 11.42 C ATOM 702 ND1 HIS A2055 2.506 0.757 4.263 1.00 23.34 N ATOM 703 CD2 HIS A2055 1.133 -0.938 3.963 1.00 43.32 C ATOM 704 CE1 HIS A2055 1.898 0.920 3.097 1.00 34.14 C ATOM 705 NE2 HIS A2055 1.048 -0.131 2.914 1.00 60.23 N ATOM 0 H HIS A2055 0.174 -0.890 6.958 1.00 72.34 H new ATOM 0 HA HIS A2055 1.830 -2.884 5.841 1.00 45.52 H new ATOM 0 HB2 HIS A2055 2.393 -0.125 6.915 1.00 3.45 H new ATOM 0 HB3 HIS A2055 3.590 -1.122 6.115 1.00 3.45 H new ATOM 0 HD2 HIS A2055 0.577 -1.853 4.103 1.00 43.32 H new ATOM 0 HE1 HIS A2055 2.049 1.741 2.412 1.00 34.14 H new ATOM 0 HE2 HIS A2055 0.446 -0.273 2.103 1.00 60.23 H new ATOM 714 N ALA A2056 2.396 -2.166 9.003 1.00 33.41 N ATOM 715 CA ALA A2056 3.008 -2.671 10.219 1.00 34.03 C ATOM 716 C ALA A2056 2.579 -4.124 10.436 1.00 64.12 C ATOM 717 O ALA A2056 3.422 -4.999 10.638 1.00 73.41 O ATOM 718 CB ALA A2056 2.626 -1.769 11.396 1.00 21.22 C ATOM 0 H ALA A2056 1.898 -1.283 9.111 1.00 33.41 H new ATOM 0 HA ALA A2056 4.095 -2.657 10.136 1.00 34.03 H new ATOM 0 HB1 ALA A2056 3.085 -2.148 12.309 1.00 21.22 H new ATOM 0 HB2 ALA A2056 2.978 -0.755 11.207 1.00 21.22 H new ATOM 0 HB3 ALA A2056 1.542 -1.761 11.511 1.00 21.22 H new ATOM 724 N MET A2057 1.273 -4.336 10.386 1.00 62.23 N ATOM 725 CA MET A2057 0.723 -5.669 10.573 1.00 5.21 C ATOM 726 C MET A2057 1.430 -6.685 9.674 1.00 11.13 C ATOM 727 O MET A2057 1.649 -7.828 10.076 1.00 41.41 O ATOM 728 CB MET A2057 -0.772 -5.654 10.250 1.00 65.13 C ATOM 729 CG MET A2057 -1.103 -6.660 9.145 1.00 53.30 C ATOM 730 SD MET A2057 -2.871 -6.744 8.908 1.00 1.44 S ATOM 731 CE MET A2057 -2.934 -7.022 7.146 1.00 41.14 C ATOM 0 H MET A2057 0.579 -3.608 10.219 1.00 62.23 H new ATOM 0 HA MET A2057 0.876 -5.963 11.611 1.00 5.21 H new ATOM 0 HB2 MET A2057 -1.344 -5.892 11.147 1.00 65.13 H new ATOM 0 HB3 MET A2057 -1.070 -4.653 9.937 1.00 65.13 H new ATOM 0 HG2 MET A2057 -0.616 -6.365 8.215 1.00 53.30 H new ATOM 0 HG3 MET A2057 -0.716 -7.644 9.409 1.00 53.30 H new ATOM 0 HE1 MET A2057 -3.971 -7.153 6.835 1.00 41.14 H new ATOM 0 HE2 MET A2057 -2.505 -6.165 6.627 1.00 41.14 H new ATOM 0 HE3 MET A2057 -2.365 -7.918 6.899 1.00 41.14 H new ATOM 741 N MET A2058 1.767 -6.234 8.475 1.00 13.32 N ATOM 742 CA MET A2058 2.446 -7.089 7.517 1.00 4.40 C ATOM 743 C MET A2058 3.880 -7.381 7.961 1.00 63.02 C ATOM 744 O MET A2058 4.416 -8.451 7.678 1.00 1.35 O ATOM 745 CB MET A2058 2.463 -6.408 6.148 1.00 44.24 C ATOM 746 CG MET A2058 1.043 -6.097 5.672 1.00 74.03 C ATOM 747 SD MET A2058 0.623 -7.134 4.282 1.00 65.34 S ATOM 748 CE MET A2058 -1.025 -7.632 4.752 1.00 5.44 C ATOM 0 H MET A2058 1.582 -5.287 8.145 1.00 13.32 H new ATOM 0 HA MET A2058 1.906 -8.034 7.456 1.00 4.40 H new ATOM 0 HB2 MET A2058 3.042 -5.486 6.204 1.00 44.24 H new ATOM 0 HB3 MET A2058 2.960 -7.053 5.423 1.00 44.24 H new ATOM 0 HG2 MET A2058 0.335 -6.260 6.484 1.00 74.03 H new ATOM 0 HG3 MET A2058 0.968 -5.047 5.389 1.00 74.03 H new ATOM 0 HE1 MET A2058 -1.572 -7.960 3.868 1.00 5.44 H new ATOM 0 HE2 MET A2058 -0.967 -8.452 5.468 1.00 5.44 H new ATOM 0 HE3 MET A2058 -1.544 -6.789 5.207 1.00 5.44 H new ATOM 758 N GLU A2059 4.463 -6.408 8.648 1.00 0.25 N ATOM 759 CA GLU A2059 5.825 -6.548 9.134 1.00 62.32 C ATOM 760 C GLU A2059 5.853 -7.415 10.394 1.00 0.35 C ATOM 761 O GLU A2059 6.436 -8.499 10.393 1.00 72.42 O ATOM 762 CB GLU A2059 6.456 -5.179 9.396 1.00 13.40 C ATOM 763 CG GLU A2059 5.971 -4.148 8.376 1.00 43.13 C ATOM 764 CD GLU A2059 7.010 -3.041 8.181 1.00 70.52 C ATOM 765 OE1 GLU A2059 7.628 -2.592 9.157 1.00 61.54 O ATOM 766 OE2 GLU A2059 7.164 -2.645 6.962 1.00 62.53 O ATOM 0 H GLU A2059 4.017 -5.520 8.879 1.00 0.25 H new ATOM 0 HA GLU A2059 6.416 -7.043 8.364 1.00 62.32 H new ATOM 0 HB2 GLU A2059 6.205 -4.846 10.403 1.00 13.40 H new ATOM 0 HB3 GLU A2059 7.542 -5.260 9.348 1.00 13.40 H new ATOM 0 HG2 GLU A2059 5.773 -4.639 7.423 1.00 43.13 H new ATOM 0 HG3 GLU A2059 5.030 -3.713 8.712 1.00 43.13 H new ATOM 774 N ARG A2060 5.218 -6.906 11.439 1.00 45.41 N ATOM 775 CA ARG A2060 5.162 -7.622 12.702 1.00 53.44 C ATOM 776 C ARG A2060 4.245 -8.840 12.584 1.00 51.45 C ATOM 777 O ARG A2060 4.346 -9.778 13.373 1.00 14.51 O ATOM 778 CB ARG A2060 4.654 -6.716 13.825 1.00 32.03 C ATOM 779 CG ARG A2060 3.210 -6.283 13.570 1.00 24.45 C ATOM 780 CD ARG A2060 2.739 -5.289 14.632 1.00 73.53 C ATOM 781 NE ARG A2060 3.520 -4.036 14.533 1.00 50.21 N ATOM 782 CZ ARG A2060 3.617 -3.123 15.523 1.00 23.53 C ATOM 783 NH1 ARG A2060 2.980 -3.318 16.699 1.00 61.33 N ATOM 784 NH2 ARG A2060 4.344 -2.040 15.327 1.00 54.30 N ATOM 0 H ARG A2060 4.738 -6.006 11.437 1.00 45.41 H new ATOM 0 HA ARG A2060 6.174 -7.949 12.942 1.00 53.44 H new ATOM 0 HB2 ARG A2060 4.717 -7.242 14.778 1.00 32.03 H new ATOM 0 HB3 ARG A2060 5.293 -5.836 13.904 1.00 32.03 H new ATOM 0 HG2 ARG A2060 3.132 -5.829 12.582 1.00 24.45 H new ATOM 0 HG3 ARG A2060 2.559 -7.157 13.571 1.00 24.45 H new ATOM 0 HD2 ARG A2060 1.678 -5.078 14.499 1.00 73.53 H new ATOM 0 HD3 ARG A2060 2.856 -5.723 15.625 1.00 73.53 H new ATOM 0 HE ARG A2060 4.017 -3.850 13.662 1.00 50.21 H new ATOM 0 HH11 ARG A2060 2.421 -4.159 16.843 1.00 61.33 H new ATOM 0 HH12 ARG A2060 3.058 -2.624 17.442 1.00 61.33 H new ATOM 0 HH21 ARG A2060 4.823 -1.901 14.437 1.00 54.30 H new ATOM 0 HH22 ARG A2060 4.427 -1.341 16.065 1.00 54.30 H new ATOM 796 N GLY A2061 3.371 -8.786 11.590 1.00 23.21 N ATOM 797 CA GLY A2061 2.437 -9.875 11.358 1.00 73.40 C ATOM 798 C GLY A2061 2.689 -10.536 10.001 1.00 34.24 C ATOM 799 O GLY A2061 1.993 -10.250 9.028 1.00 35.45 O ATOM 0 H GLY A2061 3.290 -8.007 10.937 1.00 23.21 H new ATOM 0 HA2 GLY A2061 2.534 -10.617 12.151 1.00 73.40 H new ATOM 0 HA3 GLY A2061 1.415 -9.497 11.398 1.00 73.40 H new ATOM 803 N PRO A2062 3.715 -11.429 9.979 1.00 21.44 N ATOM 804 CA PRO A2062 4.069 -12.132 8.758 1.00 35.43 C ATOM 805 C PRO A2062 3.056 -13.236 8.448 1.00 72.25 C ATOM 806 O PRO A2062 1.942 -13.227 8.972 1.00 22.32 O ATOM 807 CB PRO A2062 5.470 -12.666 9.004 1.00 2.43 C ATOM 808 CG PRO A2062 5.666 -12.643 10.512 1.00 70.14 C ATOM 809 CD PRO A2062 4.560 -11.792 11.112 1.00 52.13 C ATOM 0 HA PRO A2062 4.051 -11.486 7.880 1.00 35.43 H new ATOM 0 HB2 PRO A2062 5.577 -13.677 8.612 1.00 2.43 H new ATOM 0 HB3 PRO A2062 6.217 -12.049 8.504 1.00 2.43 H new ATOM 0 HG2 PRO A2062 5.632 -13.654 10.917 1.00 70.14 H new ATOM 0 HG3 PRO A2062 6.644 -12.232 10.764 1.00 70.14 H new ATOM 0 HD2 PRO A2062 3.998 -12.346 11.864 1.00 52.13 H new ATOM 0 HD3 PRO A2062 4.964 -10.907 11.604 1.00 52.13 H new ATOM 817 N GLN A2063 3.476 -14.159 7.596 1.00 14.12 N ATOM 818 CA GLN A2063 2.618 -15.267 7.210 1.00 21.22 C ATOM 819 C GLN A2063 3.453 -16.529 6.979 1.00 2.50 C ATOM 820 O GLN A2063 3.476 -17.425 7.822 1.00 75.52 O ATOM 821 CB GLN A2063 1.799 -14.917 5.967 1.00 33.30 C ATOM 822 CG GLN A2063 0.341 -15.349 6.133 1.00 60.14 C ATOM 823 CD GLN A2063 -0.570 -14.138 6.336 1.00 72.34 C ATOM 824 OE1 GLN A2063 -0.787 -13.333 5.445 1.00 71.31 O ATOM 825 NE2 GLN A2063 -1.090 -14.053 7.557 1.00 73.44 N ATOM 0 H GLN A2063 4.399 -14.163 7.162 1.00 14.12 H new ATOM 0 HA GLN A2063 1.919 -15.461 8.023 1.00 21.22 H new ATOM 0 HB2 GLN A2063 1.846 -13.843 5.787 1.00 33.30 H new ATOM 0 HB3 GLN A2063 2.230 -15.406 5.093 1.00 33.30 H new ATOM 0 HG2 GLN A2063 0.021 -15.906 5.253 1.00 60.14 H new ATOM 0 HG3 GLN A2063 0.252 -16.022 6.986 1.00 60.14 H new ATOM 0 HE21 GLN A2063 -0.867 -14.761 8.257 1.00 73.44 H new ATOM 0 HE22 GLN A2063 -1.712 -13.280 7.794 1.00 73.44 H new ATOM 834 N THR A2064 4.119 -16.559 5.834 1.00 51.04 N ATOM 835 CA THR A2064 4.954 -17.695 5.482 1.00 52.21 C ATOM 836 C THR A2064 5.959 -17.304 4.398 1.00 71.13 C ATOM 837 O THR A2064 6.118 -16.122 4.090 1.00 62.33 O ATOM 838 CB THR A2064 4.034 -18.846 5.073 1.00 24.23 C ATOM 839 OG1 THR A2064 2.979 -18.211 4.356 1.00 53.41 O ATOM 840 CG2 THR A2064 3.334 -19.493 6.271 1.00 53.35 C ATOM 0 H THR A2064 4.097 -15.814 5.138 1.00 51.04 H new ATOM 0 HA THR A2064 5.554 -18.024 6.331 1.00 52.21 H new ATOM 0 HB THR A2064 4.614 -19.600 4.541 1.00 24.23 H new ATOM 0 HG1 THR A2064 2.337 -18.886 4.052 1.00 53.41 H new ATOM 0 HG21 THR A2064 2.693 -20.304 5.924 1.00 53.35 H new ATOM 0 HG22 THR A2064 4.081 -19.890 6.958 1.00 53.35 H new ATOM 0 HG23 THR A2064 2.728 -18.747 6.785 1.00 53.35 H new ATOM 848 N LEU A2065 6.611 -18.316 3.847 1.00 25.15 N ATOM 849 CA LEU A2065 7.597 -18.093 2.803 1.00 64.21 C ATOM 850 C LEU A2065 6.895 -17.563 1.550 1.00 32.11 C ATOM 851 O LEU A2065 7.495 -16.840 0.757 1.00 53.31 O ATOM 852 CB LEU A2065 8.415 -19.362 2.559 1.00 25.43 C ATOM 853 CG LEU A2065 9.789 -19.162 1.914 1.00 20.44 C ATOM 854 CD1 LEU A2065 9.677 -18.336 0.631 1.00 64.21 C ATOM 855 CD2 LEU A2065 10.775 -18.546 2.908 1.00 23.52 C ATOM 0 H LEU A2065 6.476 -19.294 4.104 1.00 25.15 H new ATOM 0 HA LEU A2065 8.315 -17.334 3.113 1.00 64.21 H new ATOM 0 HB2 LEU A2065 8.554 -19.870 3.513 1.00 25.43 H new ATOM 0 HB3 LEU A2065 7.832 -20.030 1.925 1.00 25.43 H new ATOM 0 HG LEU A2065 10.182 -20.140 1.634 1.00 20.44 H new ATOM 0 HD11 LEU A2065 10.667 -18.209 0.193 1.00 64.21 H new ATOM 0 HD12 LEU A2065 9.030 -18.852 -0.078 1.00 64.21 H new ATOM 0 HD13 LEU A2065 9.254 -17.358 0.863 1.00 64.21 H new ATOM 0 HD21 LEU A2065 11.743 -18.414 2.426 1.00 23.52 H new ATOM 0 HD22 LEU A2065 10.400 -17.578 3.240 1.00 23.52 H new ATOM 0 HD23 LEU A2065 10.885 -19.207 3.768 1.00 23.52 H new ATOM 867 N LYS A2066 5.634 -17.943 1.412 1.00 12.24 N ATOM 868 CA LYS A2066 4.844 -17.516 0.271 1.00 65.22 C ATOM 869 C LYS A2066 4.559 -16.017 0.386 1.00 73.44 C ATOM 870 O LYS A2066 4.658 -15.284 -0.597 1.00 13.12 O ATOM 871 CB LYS A2066 3.583 -18.372 0.139 1.00 70.34 C ATOM 872 CG LYS A2066 3.780 -19.482 -0.897 1.00 73.14 C ATOM 873 CD LYS A2066 3.454 -18.978 -2.305 1.00 23.32 C ATOM 874 CE LYS A2066 4.059 -19.898 -3.369 1.00 72.35 C ATOM 875 NZ LYS A2066 5.020 -19.153 -4.213 1.00 72.53 N ATOM 0 H LYS A2066 5.139 -18.543 2.072 1.00 12.24 H new ATOM 0 HA LYS A2066 5.401 -17.666 -0.654 1.00 65.22 H new ATOM 0 HB2 LYS A2066 3.334 -18.811 1.105 1.00 70.34 H new ATOM 0 HB3 LYS A2066 2.741 -17.744 -0.152 1.00 70.34 H new ATOM 0 HG2 LYS A2066 4.810 -19.838 -0.863 1.00 73.14 H new ATOM 0 HG3 LYS A2066 3.141 -20.331 -0.653 1.00 73.14 H new ATOM 0 HD2 LYS A2066 2.373 -18.926 -2.436 1.00 23.32 H new ATOM 0 HD3 LYS A2066 3.839 -17.966 -2.432 1.00 23.32 H new ATOM 0 HE2 LYS A2066 4.562 -20.737 -2.889 1.00 72.35 H new ATOM 0 HE3 LYS A2066 3.267 -20.315 -3.991 1.00 72.35 H new ATOM 0 HZ1 LYS A2066 5.421 -19.792 -4.929 1.00 72.53 H new ATOM 0 HZ2 LYS A2066 4.530 -18.367 -4.686 1.00 72.53 H new ATOM 0 HZ3 LYS A2066 5.785 -18.776 -3.618 1.00 72.53 H new ATOM 888 N GLU A2067 4.211 -15.605 1.597 1.00 4.41 N ATOM 889 CA GLU A2067 3.910 -14.207 1.854 1.00 74.22 C ATOM 890 C GLU A2067 5.203 -13.392 1.934 1.00 62.42 C ATOM 891 O GLU A2067 5.179 -12.168 1.805 1.00 10.42 O ATOM 892 CB GLU A2067 3.084 -14.049 3.131 1.00 12.24 C ATOM 893 CG GLU A2067 2.351 -12.706 3.149 1.00 71.22 C ATOM 894 CD GLU A2067 0.994 -12.813 2.448 1.00 1.33 C ATOM 895 OE1 GLU A2067 0.064 -13.429 2.989 1.00 2.24 O ATOM 896 OE2 GLU A2067 0.927 -12.226 1.301 1.00 33.13 O ATOM 0 H GLU A2067 4.131 -16.215 2.411 1.00 4.41 H new ATOM 0 HA GLU A2067 3.313 -13.826 1.025 1.00 74.22 H new ATOM 0 HB2 GLU A2067 2.362 -14.862 3.204 1.00 12.24 H new ATOM 0 HB3 GLU A2067 3.736 -14.123 4.001 1.00 12.24 H new ATOM 0 HG2 GLU A2067 2.208 -12.380 4.179 1.00 71.22 H new ATOM 0 HG3 GLU A2067 2.960 -11.948 2.656 1.00 71.22 H new ATOM 904 N THR A2068 6.301 -14.103 2.145 1.00 30.35 N ATOM 905 CA THR A2068 7.601 -13.461 2.243 1.00 5.55 C ATOM 906 C THR A2068 7.960 -12.778 0.922 1.00 71.24 C ATOM 907 O THR A2068 8.577 -11.714 0.917 1.00 33.12 O ATOM 908 CB THR A2068 8.618 -14.520 2.675 1.00 42.40 C ATOM 909 OG1 THR A2068 8.307 -14.761 4.046 1.00 63.31 O ATOM 910 CG2 THR A2068 10.048 -13.976 2.709 1.00 1.21 C ATOM 0 H THR A2068 6.317 -15.117 2.251 1.00 30.35 H new ATOM 0 HA THR A2068 7.596 -12.668 2.991 1.00 5.55 H new ATOM 0 HB THR A2068 8.568 -15.371 1.996 1.00 42.40 H new ATOM 0 HG1 THR A2068 7.753 -15.566 4.119 1.00 63.31 H new ATOM 0 HG21 THR A2068 10.731 -14.766 3.021 1.00 1.21 H new ATOM 0 HG22 THR A2068 10.328 -13.626 1.715 1.00 1.21 H new ATOM 0 HG23 THR A2068 10.105 -13.147 3.415 1.00 1.21 H new ATOM 918 N SER A2069 7.556 -13.417 -0.166 1.00 42.34 N ATOM 919 CA SER A2069 7.828 -12.883 -1.491 1.00 74.11 C ATOM 920 C SER A2069 6.975 -11.638 -1.738 1.00 15.31 C ATOM 921 O SER A2069 7.394 -10.725 -2.447 1.00 52.31 O ATOM 922 CB SER A2069 7.561 -13.932 -2.571 1.00 24.52 C ATOM 923 OG SER A2069 8.705 -14.740 -2.827 1.00 44.52 O ATOM 0 H SER A2069 7.043 -14.299 -0.158 1.00 42.34 H new ATOM 0 HA SER A2069 8.882 -12.609 -1.541 1.00 74.11 H new ATOM 0 HB2 SER A2069 6.731 -14.567 -2.262 1.00 24.52 H new ATOM 0 HB3 SER A2069 7.256 -13.434 -3.492 1.00 24.52 H new ATOM 0 HG SER A2069 8.492 -15.398 -3.521 1.00 44.52 H new ATOM 929 N PHE A2070 5.794 -11.639 -1.137 1.00 14.02 N ATOM 930 CA PHE A2070 4.878 -10.520 -1.283 1.00 22.32 C ATOM 931 C PHE A2070 5.447 -9.259 -0.631 1.00 14.11 C ATOM 932 O PHE A2070 5.523 -8.208 -1.264 1.00 60.54 O ATOM 933 CB PHE A2070 3.580 -10.908 -0.572 1.00 41.14 C ATOM 934 CG PHE A2070 2.492 -9.834 -0.633 1.00 41.41 C ATOM 935 CD1 PHE A2070 2.531 -8.778 0.223 1.00 65.41 C ATOM 936 CD2 PHE A2070 1.488 -9.935 -1.544 1.00 1.25 C ATOM 937 CE1 PHE A2070 1.521 -7.781 0.166 1.00 14.25 C ATOM 938 CE2 PHE A2070 0.477 -8.938 -1.601 1.00 1.02 C ATOM 939 CZ PHE A2070 0.516 -7.882 -0.745 1.00 4.24 C ATOM 0 H PHE A2070 5.450 -12.397 -0.548 1.00 14.02 H new ATOM 0 HA PHE A2070 4.714 -10.308 -2.340 1.00 22.32 H new ATOM 0 HB2 PHE A2070 3.195 -11.826 -1.016 1.00 41.14 H new ATOM 0 HB3 PHE A2070 3.801 -11.127 0.472 1.00 41.14 H new ATOM 0 HD1 PHE A2070 3.329 -8.698 0.946 1.00 65.41 H new ATOM 0 HD2 PHE A2070 1.459 -10.773 -2.225 1.00 1.25 H new ATOM 0 HE1 PHE A2070 1.551 -6.943 0.846 1.00 14.25 H new ATOM 0 HE2 PHE A2070 -0.322 -9.019 -2.324 1.00 1.02 H new ATOM 0 HZ PHE A2070 -0.251 -7.123 -0.789 1.00 4.24 H new ATOM 949 N ASN A2071 5.830 -9.404 0.629 1.00 10.35 N ATOM 950 CA ASN A2071 6.390 -8.290 1.376 1.00 61.45 C ATOM 951 C ASN A2071 7.702 -7.851 0.722 1.00 32.31 C ATOM 952 O ASN A2071 8.078 -6.684 0.800 1.00 34.01 O ATOM 953 CB ASN A2071 6.690 -8.690 2.821 1.00 0.11 C ATOM 954 CG ASN A2071 7.074 -7.470 3.660 1.00 44.22 C ATOM 955 OD1 ASN A2071 8.011 -6.748 3.360 1.00 41.21 O ATOM 956 ND2 ASN A2071 6.300 -7.280 4.724 1.00 61.33 N ATOM 0 H ASN A2071 5.764 -10.277 1.152 1.00 10.35 H new ATOM 0 HA ASN A2071 5.660 -7.480 1.372 1.00 61.45 H new ATOM 0 HB2 ASN A2071 5.816 -9.175 3.257 1.00 0.11 H new ATOM 0 HB3 ASN A2071 7.501 -9.418 2.839 1.00 0.11 H new ATOM 0 HD21 ASN A2071 6.474 -6.492 5.347 1.00 61.33 H new ATOM 0 HD22 ASN A2071 5.532 -7.923 4.917 1.00 61.33 H new ATOM 963 N GLN A2072 8.362 -8.813 0.093 1.00 63.23 N ATOM 964 CA GLN A2072 9.623 -8.541 -0.573 1.00 51.43 C ATOM 965 C GLN A2072 9.377 -7.868 -1.925 1.00 24.44 C ATOM 966 O GLN A2072 9.936 -6.810 -2.207 1.00 73.15 O ATOM 967 CB GLN A2072 10.445 -9.822 -0.739 1.00 1.31 C ATOM 968 CG GLN A2072 11.020 -10.280 0.602 1.00 22.14 C ATOM 969 CD GLN A2072 12.547 -10.181 0.606 1.00 23.34 C ATOM 970 OE1 GLN A2072 13.237 -10.799 -0.188 1.00 53.51 O ATOM 971 NE2 GLN A2072 13.033 -9.371 1.541 1.00 14.24 N ATOM 0 H GLN A2072 8.047 -9.781 0.031 1.00 63.23 H new ATOM 0 HA GLN A2072 10.199 -7.858 0.051 1.00 51.43 H new ATOM 0 HB2 GLN A2072 9.818 -10.609 -1.158 1.00 1.31 H new ATOM 0 HB3 GLN A2072 11.256 -9.649 -1.447 1.00 1.31 H new ATOM 0 HG2 GLN A2072 10.610 -9.668 1.406 1.00 22.14 H new ATOM 0 HG3 GLN A2072 10.718 -11.309 0.799 1.00 22.14 H new ATOM 0 HE21 GLN A2072 12.398 -8.884 2.174 1.00 14.24 H new ATOM 0 HE22 GLN A2072 14.041 -9.237 1.626 1.00 14.24 H new ATOM 980 N ALA A2073 8.540 -8.512 -2.726 1.00 23.34 N ATOM 981 CA ALA A2073 8.212 -7.992 -4.042 1.00 12.11 C ATOM 982 C ALA A2073 7.978 -6.483 -3.944 1.00 21.31 C ATOM 983 O ALA A2073 8.491 -5.716 -4.756 1.00 21.12 O ATOM 984 CB ALA A2073 6.997 -8.737 -4.598 1.00 61.13 C ATOM 0 H ALA A2073 8.079 -9.390 -2.488 1.00 23.34 H new ATOM 0 HA ALA A2073 9.037 -8.153 -4.736 1.00 12.11 H new ATOM 0 HB1 ALA A2073 6.751 -8.346 -5.585 1.00 61.13 H new ATOM 0 HB2 ALA A2073 7.226 -9.800 -4.675 1.00 61.13 H new ATOM 0 HB3 ALA A2073 6.147 -8.596 -3.930 1.00 61.13 H new ATOM 990 N TYR A2074 7.201 -6.102 -2.940 1.00 72.14 N ATOM 991 CA TYR A2074 6.892 -4.698 -2.725 1.00 12.14 C ATOM 992 C TYR A2074 7.804 -4.093 -1.657 1.00 44.43 C ATOM 993 O TYR A2074 7.892 -2.871 -1.530 1.00 53.12 O ATOM 994 CB TYR A2074 5.446 -4.656 -2.224 1.00 44.33 C ATOM 995 CG TYR A2074 4.457 -5.404 -3.119 1.00 25.13 C ATOM 996 CD1 TYR A2074 4.478 -5.209 -4.486 1.00 15.45 C ATOM 997 CD2 TYR A2074 3.541 -6.274 -2.561 1.00 51.35 C ATOM 998 CE1 TYR A2074 3.547 -5.914 -5.328 1.00 75.30 C ATOM 999 CE2 TYR A2074 2.610 -6.978 -3.404 1.00 32.14 C ATOM 1000 CZ TYR A2074 2.660 -6.764 -4.745 1.00 73.41 C ATOM 1001 OH TYR A2074 1.777 -7.429 -5.542 1.00 53.42 O ATOM 0 H TYR A2074 6.777 -6.740 -2.267 1.00 72.14 H new ATOM 0 HA TYR A2074 7.034 -4.130 -3.644 1.00 12.14 H new ATOM 0 HB2 TYR A2074 5.407 -5.082 -1.221 1.00 44.33 H new ATOM 0 HB3 TYR A2074 5.131 -3.616 -2.141 1.00 44.33 H new ATOM 0 HD1 TYR A2074 5.193 -4.528 -4.923 1.00 15.45 H new ATOM 0 HD2 TYR A2074 3.523 -6.426 -1.492 1.00 51.35 H new ATOM 0 HE1 TYR A2074 3.553 -5.771 -6.398 1.00 75.30 H new ATOM 0 HE2 TYR A2074 1.888 -7.661 -2.980 1.00 32.14 H new ATOM 0 HH TYR A2074 1.371 -8.165 -5.038 1.00 53.42 H new ATOM 1011 N GLY A2075 8.464 -4.974 -0.918 1.00 43.20 N ATOM 1012 CA GLY A2075 9.367 -4.541 0.133 1.00 3.52 C ATOM 1013 C GLY A2075 10.165 -3.311 -0.301 1.00 41.42 C ATOM 1014 O GLY A2075 10.391 -2.399 0.495 1.00 23.30 O ATOM 0 H GLY A2075 8.390 -5.985 -1.027 1.00 43.20 H new ATOM 0 HA2 GLY A2075 8.798 -4.310 1.034 1.00 3.52 H new ATOM 0 HA3 GLY A2075 10.051 -5.351 0.387 1.00 3.52 H new ATOM 1018 N ARG A2076 10.571 -3.321 -1.562 1.00 12.34 N ATOM 1019 CA ARG A2076 11.339 -2.218 -2.113 1.00 12.44 C ATOM 1020 C ARG A2076 10.413 -1.051 -2.464 1.00 71.12 C ATOM 1021 O ARG A2076 10.654 0.083 -2.051 1.00 61.12 O ATOM 1022 CB ARG A2076 12.103 -2.649 -3.365 1.00 32.25 C ATOM 1023 CG ARG A2076 13.614 -2.604 -3.128 1.00 44.13 C ATOM 1024 CD ARG A2076 14.068 -1.192 -2.751 1.00 4.51 C ATOM 1025 NE ARG A2076 15.159 -0.756 -3.653 1.00 52.13 N ATOM 1026 CZ ARG A2076 15.674 0.494 -3.664 1.00 3.12 C ATOM 1027 NH1 ARG A2076 15.204 1.438 -2.824 1.00 34.33 N ATOM 1028 NH2 ARG A2076 16.648 0.774 -4.510 1.00 22.02 N ATOM 0 H ARG A2076 10.382 -4.078 -2.219 1.00 12.34 H new ATOM 0 HA ARG A2076 12.057 -1.902 -1.356 1.00 12.44 H new ATOM 0 HB2 ARG A2076 11.805 -3.659 -3.647 1.00 32.25 H new ATOM 0 HB3 ARG A2076 11.842 -1.995 -4.197 1.00 32.25 H new ATOM 0 HG2 ARG A2076 13.882 -3.300 -2.333 1.00 44.13 H new ATOM 0 HG3 ARG A2076 14.137 -2.930 -4.027 1.00 44.13 H new ATOM 0 HD2 ARG A2076 13.229 -0.500 -2.820 1.00 4.51 H new ATOM 0 HD3 ARG A2076 14.411 -1.175 -1.716 1.00 4.51 H new ATOM 0 HE ARG A2076 15.545 -1.439 -4.305 1.00 52.13 H new ATOM 0 HH11 ARG A2076 14.453 1.212 -2.172 1.00 34.33 H new ATOM 0 HH12 ARG A2076 15.600 2.378 -2.840 1.00 34.33 H new ATOM 0 HH21 ARG A2076 16.999 0.053 -5.140 1.00 22.02 H new ATOM 0 HH22 ARG A2076 17.050 1.711 -4.533 1.00 22.02 H new ATOM 1040 N ASP A2077 9.374 -1.368 -3.221 1.00 21.11 N ATOM 1041 CA ASP A2077 8.412 -0.361 -3.631 1.00 45.12 C ATOM 1042 C ASP A2077 7.881 0.367 -2.395 1.00 74.41 C ATOM 1043 O ASP A2077 7.938 1.593 -2.319 1.00 63.42 O ATOM 1044 CB ASP A2077 7.222 -0.998 -4.352 1.00 43.13 C ATOM 1045 CG ASP A2077 7.555 -1.660 -5.691 1.00 51.24 C ATOM 1046 OD1 ASP A2077 8.183 -2.728 -5.736 1.00 62.32 O ATOM 1047 OD2 ASP A2077 7.138 -1.025 -6.734 1.00 53.21 O ATOM 0 H ASP A2077 9.177 -2.309 -3.561 1.00 21.11 H new ATOM 0 HA ASP A2077 8.916 0.330 -4.306 1.00 45.12 H new ATOM 0 HB2 ASP A2077 6.776 -1.745 -3.695 1.00 43.13 H new ATOM 0 HB3 ASP A2077 6.466 -0.231 -4.521 1.00 43.13 H new ATOM 1053 N LEU A2078 7.378 -0.420 -1.456 1.00 73.32 N ATOM 1054 CA LEU A2078 6.837 0.133 -0.225 1.00 43.14 C ATOM 1055 C LEU A2078 7.879 1.050 0.418 1.00 5.43 C ATOM 1056 O LEU A2078 7.535 2.078 0.996 1.00 21.32 O ATOM 1057 CB LEU A2078 6.349 -0.987 0.696 1.00 45.15 C ATOM 1058 CG LEU A2078 5.112 -1.752 0.224 1.00 61.42 C ATOM 1059 CD1 LEU A2078 4.518 -2.590 1.360 1.00 44.53 C ATOM 1060 CD2 LEU A2078 4.079 -0.804 -0.387 1.00 3.10 C ATOM 0 H LEU A2078 7.333 -1.437 -1.522 1.00 73.32 H new ATOM 0 HA LEU A2078 5.960 0.746 -0.435 1.00 43.14 H new ATOM 0 HB2 LEU A2078 7.163 -1.700 0.831 1.00 45.15 H new ATOM 0 HB3 LEU A2078 6.135 -0.558 1.675 1.00 45.15 H new ATOM 0 HG LEU A2078 5.419 -2.443 -0.561 1.00 61.42 H new ATOM 0 HD11 LEU A2078 3.640 -3.124 0.997 1.00 44.53 H new ATOM 0 HD12 LEU A2078 5.260 -3.308 1.709 1.00 44.53 H new ATOM 0 HD13 LEU A2078 4.231 -1.936 2.183 1.00 44.53 H new ATOM 0 HD21 LEU A2078 3.210 -1.375 -0.714 1.00 3.10 H new ATOM 0 HD22 LEU A2078 3.772 -0.071 0.359 1.00 3.10 H new ATOM 0 HD23 LEU A2078 4.518 -0.290 -1.242 1.00 3.10 H new ATOM 1072 N MET A2079 9.134 0.642 0.295 1.00 23.44 N ATOM 1073 CA MET A2079 10.231 1.412 0.858 1.00 71.15 C ATOM 1074 C MET A2079 10.328 2.791 0.197 1.00 34.31 C ATOM 1075 O MET A2079 10.449 3.803 0.884 1.00 62.35 O ATOM 1076 CB MET A2079 11.544 0.656 0.653 1.00 35.14 C ATOM 1077 CG MET A2079 12.488 0.867 1.841 1.00 62.24 C ATOM 1078 SD MET A2079 14.154 1.124 1.257 1.00 54.21 S ATOM 1079 CE MET A2079 14.106 2.881 0.947 1.00 61.22 C ATOM 0 H MET A2079 9.416 -0.212 -0.186 1.00 23.44 H new ATOM 0 HA MET A2079 10.044 1.551 1.923 1.00 71.15 H new ATOM 0 HB2 MET A2079 11.340 -0.408 0.530 1.00 35.14 H new ATOM 0 HB3 MET A2079 12.025 0.997 -0.264 1.00 35.14 H new ATOM 0 HG2 MET A2079 12.162 1.727 2.427 1.00 62.24 H new ATOM 0 HG3 MET A2079 12.455 0.000 2.501 1.00 62.24 H new ATOM 0 HE1 MET A2079 15.075 3.211 0.574 1.00 61.22 H new ATOM 0 HE2 MET A2079 13.338 3.099 0.205 1.00 61.22 H new ATOM 0 HE3 MET A2079 13.875 3.408 1.873 1.00 61.22 H new ATOM 1089 N GLU A2080 10.269 2.782 -1.127 1.00 1.52 N ATOM 1090 CA GLU A2080 10.347 4.019 -1.887 1.00 12.53 C ATOM 1091 C GLU A2080 9.142 4.908 -1.581 1.00 23.33 C ATOM 1092 O GLU A2080 9.300 6.041 -1.129 1.00 24.54 O ATOM 1093 CB GLU A2080 10.455 3.734 -3.386 1.00 34.44 C ATOM 1094 CG GLU A2080 10.646 5.029 -4.178 1.00 74.02 C ATOM 1095 CD GLU A2080 11.163 4.738 -5.589 1.00 1.44 C ATOM 1096 OE1 GLU A2080 10.639 3.844 -6.268 1.00 61.12 O ATOM 1097 OE2 GLU A2080 12.146 5.480 -5.972 1.00 62.01 O ATOM 0 H GLU A2080 10.168 1.939 -1.692 1.00 1.52 H new ATOM 0 HA GLU A2080 11.249 4.552 -1.586 1.00 12.53 H new ATOM 0 HB2 GLU A2080 11.293 3.062 -3.573 1.00 34.44 H new ATOM 0 HB3 GLU A2080 9.555 3.223 -3.729 1.00 34.44 H new ATOM 0 HG2 GLU A2080 9.699 5.566 -4.237 1.00 74.02 H new ATOM 0 HG3 GLU A2080 11.349 5.678 -3.656 1.00 74.02 H new ATOM 1105 N ALA A2081 7.964 4.361 -1.840 1.00 34.25 N ATOM 1106 CA ALA A2081 6.730 5.090 -1.599 1.00 71.23 C ATOM 1107 C ALA A2081 6.719 5.600 -0.155 1.00 61.32 C ATOM 1108 O ALA A2081 6.321 6.735 0.103 1.00 44.32 O ATOM 1109 CB ALA A2081 5.533 4.189 -1.907 1.00 3.25 C ATOM 0 H ALA A2081 7.837 3.421 -2.215 1.00 34.25 H new ATOM 0 HA ALA A2081 6.662 5.956 -2.257 1.00 71.23 H new ATOM 0 HB1 ALA A2081 4.609 4.737 -1.726 1.00 3.25 H new ATOM 0 HB2 ALA A2081 5.571 3.877 -2.951 1.00 3.25 H new ATOM 0 HB3 ALA A2081 5.565 3.309 -1.264 1.00 3.25 H new ATOM 1115 N GLN A2082 7.157 4.735 0.747 1.00 12.43 N ATOM 1116 CA GLN A2082 7.204 5.083 2.157 1.00 43.41 C ATOM 1117 C GLN A2082 8.113 6.294 2.375 1.00 2.25 C ATOM 1118 O GLN A2082 7.808 7.167 3.188 1.00 4.24 O ATOM 1119 CB GLN A2082 7.663 3.893 3.001 1.00 74.13 C ATOM 1120 CG GLN A2082 7.751 4.273 4.482 1.00 42.00 C ATOM 1121 CD GLN A2082 9.113 3.890 5.066 1.00 23.53 C ATOM 1122 OE1 GLN A2082 10.160 4.230 4.540 1.00 21.51 O ATOM 1123 NE2 GLN A2082 9.040 3.165 6.178 1.00 54.03 N ATOM 0 H GLN A2082 7.483 3.793 0.529 1.00 12.43 H new ATOM 0 HA GLN A2082 6.197 5.347 2.480 1.00 43.41 H new ATOM 0 HB2 GLN A2082 6.967 3.063 2.875 1.00 74.13 H new ATOM 0 HB3 GLN A2082 8.636 3.548 2.652 1.00 74.13 H new ATOM 0 HG2 GLN A2082 7.591 5.345 4.596 1.00 42.00 H new ATOM 0 HG3 GLN A2082 6.959 3.771 5.038 1.00 42.00 H new ATOM 0 HE21 GLN A2082 8.130 2.915 6.565 1.00 54.03 H new ATOM 0 HE22 GLN A2082 9.894 2.859 6.644 1.00 54.03 H new ATOM 1132 N GLU A2083 9.214 6.308 1.637 1.00 41.23 N ATOM 1133 CA GLU A2083 10.170 7.398 1.740 1.00 62.52 C ATOM 1134 C GLU A2083 9.539 8.705 1.256 1.00 74.22 C ATOM 1135 O GLU A2083 9.794 9.768 1.822 1.00 2.24 O ATOM 1136 CB GLU A2083 11.446 7.084 0.957 1.00 31.13 C ATOM 1137 CG GLU A2083 11.735 8.169 -0.080 1.00 53.35 C ATOM 1138 CD GLU A2083 13.055 7.899 -0.804 1.00 52.44 C ATOM 1139 OE1 GLU A2083 14.101 8.438 -0.408 1.00 71.12 O ATOM 1140 OE2 GLU A2083 12.973 7.097 -1.811 1.00 53.12 O ATOM 0 H GLU A2083 9.465 5.582 0.966 1.00 41.23 H new ATOM 0 HA GLU A2083 10.445 7.516 2.788 1.00 62.52 H new ATOM 0 HB2 GLU A2083 12.287 7.000 1.645 1.00 31.13 H new ATOM 0 HB3 GLU A2083 11.344 6.119 0.460 1.00 31.13 H new ATOM 0 HG2 GLU A2083 10.921 8.211 -0.804 1.00 53.35 H new ATOM 0 HG3 GLU A2083 11.777 9.142 0.409 1.00 53.35 H new ATOM 1148 N TRP A2084 8.727 8.586 0.217 1.00 23.45 N ATOM 1149 CA TRP A2084 8.057 9.744 -0.348 1.00 54.03 C ATOM 1150 C TRP A2084 7.033 10.243 0.673 1.00 43.23 C ATOM 1151 O TRP A2084 6.789 11.444 0.777 1.00 63.54 O ATOM 1152 CB TRP A2084 7.436 9.411 -1.706 1.00 22.10 C ATOM 1153 CG TRP A2084 8.459 9.156 -2.814 1.00 15.21 C ATOM 1154 CD1 TRP A2084 8.888 7.977 -3.283 1.00 52.25 C ATOM 1155 CD2 TRP A2084 9.168 10.156 -3.576 1.00 34.11 C ATOM 1156 NE1 TRP A2084 9.821 8.144 -4.290 1.00 24.44 N ATOM 1157 CE2 TRP A2084 9.995 9.510 -4.473 1.00 3.12 C ATOM 1158 CE3 TRP A2084 9.111 11.558 -3.510 1.00 42.43 C ATOM 1159 CZ2 TRP A2084 10.828 10.188 -5.371 1.00 1.22 C ATOM 1160 CZ3 TRP A2084 9.952 12.221 -4.414 1.00 32.44 C ATOM 1161 CH2 TRP A2084 10.790 11.585 -5.322 1.00 63.15 C ATOM 0 H TRP A2084 8.517 7.703 -0.249 1.00 23.45 H new ATOM 0 HA TRP A2084 8.770 10.544 -0.544 1.00 54.03 H new ATOM 0 HB2 TRP A2084 6.805 8.529 -1.599 1.00 22.10 H new ATOM 0 HB3 TRP A2084 6.786 10.233 -2.008 1.00 22.10 H new ATOM 0 HD1 TRP A2084 8.548 7.018 -2.921 1.00 52.25 H new ATOM 0 HE1 TRP A2084 10.294 7.401 -4.804 1.00 24.44 H new ATOM 0 HE3 TRP A2084 8.470 12.083 -2.818 1.00 42.43 H new ATOM 0 HZ2 TRP A2084 11.466 9.660 -6.065 1.00 1.22 H new ATOM 0 HZ3 TRP A2084 9.949 13.301 -4.404 1.00 32.44 H new ATOM 0 HH2 TRP A2084 11.410 12.168 -5.987 1.00 63.15 H new ATOM 1172 N CYS A2085 6.461 9.296 1.401 1.00 21.03 N ATOM 1173 CA CYS A2085 5.468 9.623 2.410 1.00 73.24 C ATOM 1174 C CYS A2085 6.161 10.401 3.530 1.00 11.33 C ATOM 1175 O CYS A2085 5.751 11.511 3.865 1.00 33.25 O ATOM 1176 CB CYS A2085 4.760 8.373 2.936 1.00 61.20 C ATOM 1177 SG CYS A2085 2.989 8.415 2.477 1.00 1.43 S ATOM 0 H CYS A2085 6.666 8.301 1.312 1.00 21.03 H new ATOM 0 HA CYS A2085 4.687 10.241 1.968 1.00 73.24 H new ATOM 0 HB2 CYS A2085 5.229 7.479 2.525 1.00 61.20 H new ATOM 0 HB3 CYS A2085 4.862 8.317 4.020 1.00 61.20 H new ATOM 0 HG CYS A2085 2.315 9.032 3.402 1.00 1.43 H new ATOM 1183 N ARG A2086 7.199 9.786 4.080 1.00 70.32 N ATOM 1184 CA ARG A2086 7.953 10.406 5.156 1.00 35.42 C ATOM 1185 C ARG A2086 8.505 11.759 4.705 1.00 72.53 C ATOM 1186 O ARG A2086 8.435 12.741 5.445 1.00 72.51 O ATOM 1187 CB ARG A2086 9.110 9.512 5.603 1.00 51.14 C ATOM 1188 CG ARG A2086 8.695 8.620 6.774 1.00 31.04 C ATOM 1189 CD ARG A2086 8.086 7.307 6.274 1.00 3.31 C ATOM 1190 NE ARG A2086 7.250 6.701 7.333 1.00 63.43 N ATOM 1191 CZ ARG A2086 7.735 5.955 8.348 1.00 3.10 C ATOM 1192 NH1 ARG A2086 9.060 5.718 8.451 1.00 23.45 N ATOM 1193 NH2 ARG A2086 6.895 5.463 9.239 1.00 21.54 N ATOM 0 H ARG A2086 7.535 8.865 3.800 1.00 70.32 H new ATOM 0 HA ARG A2086 7.275 10.550 5.997 1.00 35.42 H new ATOM 0 HB2 ARG A2086 9.439 8.893 4.768 1.00 51.14 H new ATOM 0 HB3 ARG A2086 9.959 10.130 5.895 1.00 51.14 H new ATOM 0 HG2 ARG A2086 9.562 8.408 7.400 1.00 31.04 H new ATOM 0 HG3 ARG A2086 7.973 9.146 7.398 1.00 31.04 H new ATOM 0 HD2 ARG A2086 7.483 7.492 5.385 1.00 3.31 H new ATOM 0 HD3 ARG A2086 8.878 6.616 5.985 1.00 3.31 H new ATOM 0 HE ARG A2086 6.243 6.857 7.294 1.00 63.43 H new ATOM 0 HH11 ARG A2086 9.702 6.104 7.759 1.00 23.45 H new ATOM 0 HH12 ARG A2086 9.419 5.153 9.221 1.00 23.45 H new ATOM 0 HH21 ARG A2086 5.896 5.648 9.155 1.00 21.54 H new ATOM 0 HH22 ARG A2086 7.245 4.897 10.012 1.00 21.54 H new ATOM 1205 N LYS A2087 9.043 11.770 3.495 1.00 13.24 N ATOM 1206 CA LYS A2087 9.609 12.985 2.936 1.00 34.20 C ATOM 1207 C LYS A2087 8.511 14.044 2.819 1.00 60.33 C ATOM 1208 O LYS A2087 8.770 15.235 2.993 1.00 21.23 O ATOM 1209 CB LYS A2087 10.321 12.689 1.615 1.00 62.13 C ATOM 1210 CG LYS A2087 10.661 13.983 0.872 1.00 51.01 C ATOM 1211 CD LYS A2087 9.812 14.127 -0.393 1.00 52.33 C ATOM 1212 CE LYS A2087 10.685 14.053 -1.649 1.00 35.44 C ATOM 1213 NZ LYS A2087 10.991 15.410 -2.148 1.00 22.22 N ATOM 0 H LYS A2087 9.099 10.955 2.885 1.00 13.24 H new ATOM 0 HA LYS A2087 10.375 13.388 3.598 1.00 34.20 H new ATOM 0 HB2 LYS A2087 11.234 12.126 1.808 1.00 62.13 H new ATOM 0 HB3 LYS A2087 9.687 12.062 0.989 1.00 62.13 H new ATOM 0 HG2 LYS A2087 10.492 14.838 1.527 1.00 51.01 H new ATOM 0 HG3 LYS A2087 11.718 13.988 0.607 1.00 51.01 H new ATOM 0 HD2 LYS A2087 9.059 13.339 -0.422 1.00 52.33 H new ATOM 0 HD3 LYS A2087 9.279 15.077 -0.372 1.00 52.33 H new ATOM 0 HE2 LYS A2087 11.611 13.524 -1.424 1.00 35.44 H new ATOM 0 HE3 LYS A2087 10.172 13.482 -2.423 1.00 35.44 H new ATOM 0 HZ1 LYS A2087 11.584 15.341 -3.000 1.00 22.22 H new ATOM 0 HZ2 LYS A2087 10.105 15.902 -2.381 1.00 22.22 H new ATOM 0 HZ3 LYS A2087 11.500 15.943 -1.414 1.00 22.22 H new ATOM 1226 N TYR A2088 7.309 13.574 2.523 1.00 72.34 N ATOM 1227 CA TYR A2088 6.171 14.467 2.380 1.00 23.15 C ATOM 1228 C TYR A2088 5.682 14.958 3.744 1.00 60.34 C ATOM 1229 O TYR A2088 5.372 16.136 3.910 1.00 71.14 O ATOM 1230 CB TYR A2088 5.064 13.639 1.724 1.00 4.02 C ATOM 1231 CG TYR A2088 3.650 14.047 2.141 1.00 33.02 C ATOM 1232 CD1 TYR A2088 3.086 13.514 3.283 1.00 52.45 C ATOM 1233 CD2 TYR A2088 2.938 14.947 1.375 1.00 32.14 C ATOM 1234 CE1 TYR A2088 1.755 13.900 3.674 1.00 14.25 C ATOM 1235 CE2 TYR A2088 1.607 15.331 1.767 1.00 34.44 C ATOM 1236 CZ TYR A2088 1.081 14.788 2.898 1.00 43.23 C ATOM 1237 OH TYR A2088 -0.176 15.152 3.268 1.00 22.44 O ATOM 0 H TYR A2088 7.098 12.587 2.378 1.00 72.34 H new ATOM 0 HA TYR A2088 6.444 15.343 1.791 1.00 23.15 H new ATOM 0 HB2 TYR A2088 5.152 13.727 0.641 1.00 4.02 H new ATOM 0 HB3 TYR A2088 5.216 12.588 1.971 1.00 4.02 H new ATOM 0 HD1 TYR A2088 3.642 12.808 3.882 1.00 52.45 H new ATOM 0 HD2 TYR A2088 3.379 15.363 0.481 1.00 32.14 H new ATOM 0 HE1 TYR A2088 1.302 13.492 4.566 1.00 14.25 H new ATOM 0 HE2 TYR A2088 1.039 16.034 1.176 1.00 34.44 H new ATOM 0 HH TYR A2088 -0.535 15.793 2.620 1.00 22.44 H new ATOM 1247 N MET A2089 5.630 14.029 4.688 1.00 21.14 N ATOM 1248 CA MET A2089 5.185 14.351 6.032 1.00 14.24 C ATOM 1249 C MET A2089 6.117 15.372 6.687 1.00 41.31 C ATOM 1250 O MET A2089 5.676 16.195 7.490 1.00 1.11 O ATOM 1251 CB MET A2089 5.148 13.077 6.879 1.00 5.22 C ATOM 1252 CG MET A2089 3.994 12.169 6.453 1.00 2.10 C ATOM 1253 SD MET A2089 3.287 11.369 7.883 1.00 21.02 S ATOM 1254 CE MET A2089 1.553 11.652 7.572 1.00 72.11 C ATOM 0 H MET A2089 5.889 13.053 4.547 1.00 21.14 H new ATOM 0 HA MET A2089 4.187 14.784 5.969 1.00 14.24 H new ATOM 0 HB2 MET A2089 6.092 12.542 6.779 1.00 5.22 H new ATOM 0 HB3 MET A2089 5.040 13.339 7.932 1.00 5.22 H new ATOM 0 HG2 MET A2089 3.231 12.754 5.939 1.00 2.10 H new ATOM 0 HG3 MET A2089 4.352 11.420 5.747 1.00 2.10 H new ATOM 0 HE1 MET A2089 0.980 10.781 7.889 1.00 72.11 H new ATOM 0 HE2 MET A2089 1.221 12.527 8.131 1.00 72.11 H new ATOM 0 HE3 MET A2089 1.397 11.821 6.507 1.00 72.11 H new ATOM 1264 N LYS A2090 7.388 15.287 6.322 1.00 64.15 N ATOM 1265 CA LYS A2090 8.385 16.193 6.864 1.00 25.15 C ATOM 1266 C LYS A2090 8.506 17.416 5.952 1.00 34.24 C ATOM 1267 O LYS A2090 8.480 18.552 6.425 1.00 60.23 O ATOM 1268 CB LYS A2090 9.710 15.461 7.088 1.00 24.25 C ATOM 1269 CG LYS A2090 10.197 15.637 8.527 1.00 21.23 C ATOM 1270 CD LYS A2090 10.932 16.967 8.700 1.00 61.31 C ATOM 1271 CE LYS A2090 10.387 17.744 9.899 1.00 23.14 C ATOM 1272 NZ LYS A2090 11.497 18.274 10.722 1.00 21.15 N ATOM 0 H LYS A2090 7.750 14.604 5.657 1.00 64.15 H new ATOM 0 HA LYS A2090 8.077 16.554 7.845 1.00 25.15 H new ATOM 0 HB2 LYS A2090 9.585 14.400 6.870 1.00 24.25 H new ATOM 0 HB3 LYS A2090 10.462 15.842 6.397 1.00 24.25 H new ATOM 0 HG2 LYS A2090 9.348 15.596 9.209 1.00 21.23 H new ATOM 0 HG3 LYS A2090 10.860 14.814 8.793 1.00 21.23 H new ATOM 0 HD2 LYS A2090 11.998 16.782 8.836 1.00 61.31 H new ATOM 0 HD3 LYS A2090 10.825 17.566 7.795 1.00 61.31 H new ATOM 0 HE2 LYS A2090 9.759 18.565 9.553 1.00 23.14 H new ATOM 0 HE3 LYS A2090 9.756 17.094 10.505 1.00 23.14 H new ATOM 0 HZ1 LYS A2090 11.109 18.799 11.532 1.00 21.15 H new ATOM 0 HZ2 LYS A2090 12.080 17.485 11.068 1.00 21.15 H new ATOM 0 HZ3 LYS A2090 12.083 18.911 10.146 1.00 21.15 H new ATOM 1285 N SER A2091 8.634 17.143 4.663 1.00 5.11 N ATOM 1286 CA SER A2091 8.760 18.207 3.681 1.00 25.03 C ATOM 1287 C SER A2091 7.392 18.837 3.416 1.00 73.40 C ATOM 1288 O SER A2091 7.161 19.996 3.759 1.00 75.31 O ATOM 1289 CB SER A2091 9.365 17.685 2.376 1.00 2.25 C ATOM 1290 OG SER A2091 9.916 18.734 1.585 1.00 24.35 O ATOM 0 H SER A2091 8.653 16.200 4.275 1.00 5.11 H new ATOM 0 HA SER A2091 9.432 18.965 4.083 1.00 25.03 H new ATOM 0 HB2 SER A2091 10.143 16.956 2.603 1.00 2.25 H new ATOM 0 HB3 SER A2091 8.597 17.164 1.803 1.00 2.25 H new ATOM 0 HG SER A2091 10.293 18.359 0.762 1.00 24.35 H new ATOM 1296 N GLY A2092 6.519 18.048 2.807 1.00 1.24 N ATOM 1297 CA GLY A2092 5.180 18.514 2.493 1.00 21.00 C ATOM 1298 C GLY A2092 5.063 18.892 1.015 1.00 13.12 C ATOM 1299 O GLY A2092 5.610 19.907 0.586 1.00 54.35 O ATOM 0 H GLY A2092 6.714 17.088 2.523 1.00 1.24 H new ATOM 0 HA2 GLY A2092 4.455 17.736 2.731 1.00 21.00 H new ATOM 0 HA3 GLY A2092 4.937 19.377 3.113 1.00 21.00 H new ATOM 1303 N ASN A2093 4.349 18.056 0.277 1.00 41.34 N ATOM 1304 CA ASN A2093 4.153 18.290 -1.144 1.00 4.40 C ATOM 1305 C ASN A2093 3.241 17.202 -1.715 1.00 74.03 C ATOM 1306 O ASN A2093 3.565 16.018 -1.653 1.00 41.42 O ATOM 1307 CB ASN A2093 5.485 18.235 -1.899 1.00 30.21 C ATOM 1308 CG ASN A2093 5.786 19.574 -2.575 1.00 4.50 C ATOM 1309 OD1 ASN A2093 5.137 19.979 -3.525 1.00 0.01 O ATOM 1310 ND2 ASN A2093 6.805 20.235 -2.034 1.00 41.21 N ATOM 0 H ASN A2093 3.898 17.214 0.636 1.00 41.34 H new ATOM 0 HA ASN A2093 3.709 19.278 -1.266 1.00 4.40 H new ATOM 0 HB2 ASN A2093 6.289 17.983 -1.208 1.00 30.21 H new ATOM 0 HB3 ASN A2093 5.450 17.444 -2.649 1.00 30.21 H new ATOM 0 HD21 ASN A2093 7.086 21.139 -2.414 1.00 41.21 H new ATOM 0 HD22 ASN A2093 7.306 19.838 -1.239 1.00 41.21 H new ATOM 1317 N VAL A2094 2.116 17.645 -2.260 1.00 11.20 N ATOM 1318 CA VAL A2094 1.155 16.724 -2.841 1.00 54.21 C ATOM 1319 C VAL A2094 1.844 15.889 -3.921 1.00 12.14 C ATOM 1320 O VAL A2094 1.593 14.689 -4.035 1.00 42.44 O ATOM 1321 CB VAL A2094 -0.058 17.498 -3.366 1.00 65.13 C ATOM 1322 CG1 VAL A2094 -0.768 16.718 -4.474 1.00 0.53 C ATOM 1323 CG2 VAL A2094 -1.024 17.839 -2.231 1.00 51.13 C ATOM 0 H VAL A2094 1.850 18.628 -2.311 1.00 11.20 H new ATOM 0 HA VAL A2094 0.782 16.033 -2.085 1.00 54.21 H new ATOM 0 HB VAL A2094 0.301 18.434 -3.793 1.00 65.13 H new ATOM 0 HG11 VAL A2094 -1.625 17.290 -4.829 1.00 0.53 H new ATOM 0 HG12 VAL A2094 -0.077 16.549 -5.300 1.00 0.53 H new ATOM 0 HG13 VAL A2094 -1.108 15.759 -4.083 1.00 0.53 H new ATOM 0 HG21 VAL A2094 -1.876 18.388 -2.631 1.00 51.13 H new ATOM 0 HG22 VAL A2094 -1.373 16.919 -1.762 1.00 51.13 H new ATOM 0 HG23 VAL A2094 -0.512 18.453 -1.490 1.00 51.13 H new ATOM 1333 N LYS A2095 2.697 16.554 -4.684 1.00 3.22 N ATOM 1334 CA LYS A2095 3.426 15.888 -5.751 1.00 32.54 C ATOM 1335 C LYS A2095 4.067 14.609 -5.203 1.00 75.33 C ATOM 1336 O LYS A2095 3.978 13.551 -5.822 1.00 21.54 O ATOM 1337 CB LYS A2095 4.423 16.846 -6.400 1.00 22.51 C ATOM 1338 CG LYS A2095 5.046 16.224 -7.652 1.00 55.02 C ATOM 1339 CD LYS A2095 6.184 17.096 -8.188 1.00 3.34 C ATOM 1340 CE LYS A2095 7.269 16.239 -8.845 1.00 42.31 C ATOM 1341 NZ LYS A2095 7.686 16.828 -10.136 1.00 40.23 N ATOM 0 H LYS A2095 2.901 17.549 -4.585 1.00 3.22 H new ATOM 0 HA LYS A2095 2.745 15.589 -6.548 1.00 32.54 H new ATOM 0 HB2 LYS A2095 3.920 17.776 -6.664 1.00 22.51 H new ATOM 0 HB3 LYS A2095 5.207 17.099 -5.686 1.00 22.51 H new ATOM 0 HG2 LYS A2095 5.424 15.229 -7.418 1.00 55.02 H new ATOM 0 HG3 LYS A2095 4.283 16.103 -8.421 1.00 55.02 H new ATOM 0 HD2 LYS A2095 5.790 17.809 -8.912 1.00 3.34 H new ATOM 0 HD3 LYS A2095 6.617 17.676 -7.373 1.00 3.34 H new ATOM 0 HE2 LYS A2095 8.129 16.159 -8.180 1.00 42.31 H new ATOM 0 HE3 LYS A2095 6.895 15.228 -9.004 1.00 42.31 H new ATOM 0 HZ1 LYS A2095 8.422 16.233 -10.567 1.00 40.23 H new ATOM 0 HZ2 LYS A2095 6.866 16.881 -10.774 1.00 40.23 H new ATOM 0 HZ3 LYS A2095 8.063 17.784 -9.976 1.00 40.23 H new ATOM 1354 N ASP A2096 4.701 14.753 -4.048 1.00 0.32 N ATOM 1355 CA ASP A2096 5.358 13.624 -3.411 1.00 15.01 C ATOM 1356 C ASP A2096 4.301 12.621 -2.947 1.00 35.31 C ATOM 1357 O ASP A2096 4.514 11.412 -3.019 1.00 73.51 O ATOM 1358 CB ASP A2096 6.155 14.073 -2.182 1.00 70.52 C ATOM 1359 CG ASP A2096 6.883 15.409 -2.338 1.00 42.52 C ATOM 1360 OD1 ASP A2096 6.918 15.995 -3.431 1.00 55.21 O ATOM 1361 OD2 ASP A2096 7.439 15.855 -1.263 1.00 12.44 O ATOM 0 H ASP A2096 4.774 15.633 -3.538 1.00 0.32 H new ATOM 0 HA ASP A2096 6.035 13.174 -4.137 1.00 15.01 H new ATOM 0 HB2 ASP A2096 5.476 14.143 -1.333 1.00 70.52 H new ATOM 0 HB3 ASP A2096 6.888 13.303 -1.941 1.00 70.52 H new ATOM 1367 N LEU A2097 3.183 13.159 -2.479 1.00 52.22 N ATOM 1368 CA LEU A2097 2.094 12.325 -2.003 1.00 63.50 C ATOM 1369 C LEU A2097 1.572 11.467 -3.158 1.00 2.05 C ATOM 1370 O LEU A2097 1.321 10.274 -2.986 1.00 51.34 O ATOM 1371 CB LEU A2097 1.014 13.181 -1.338 1.00 42.30 C ATOM 1372 CG LEU A2097 0.462 12.655 -0.011 1.00 24.35 C ATOM 1373 CD1 LEU A2097 -0.678 13.539 0.497 1.00 41.24 C ATOM 1374 CD2 LEU A2097 0.039 11.189 -0.138 1.00 51.35 C ATOM 0 H LEU A2097 3.009 14.162 -2.420 1.00 52.22 H new ATOM 0 HA LEU A2097 2.448 11.642 -1.231 1.00 63.50 H new ATOM 0 HB2 LEU A2097 1.421 14.178 -1.169 1.00 42.30 H new ATOM 0 HB3 LEU A2097 0.184 13.290 -2.036 1.00 42.30 H new ATOM 0 HG LEU A2097 1.258 12.698 0.733 1.00 24.35 H new ATOM 0 HD11 LEU A2097 -1.052 13.143 1.441 1.00 41.24 H new ATOM 0 HD12 LEU A2097 -0.311 14.554 0.649 1.00 41.24 H new ATOM 0 HD13 LEU A2097 -1.484 13.551 -0.237 1.00 41.24 H new ATOM 0 HD21 LEU A2097 -0.350 10.838 0.818 1.00 51.35 H new ATOM 0 HD22 LEU A2097 -0.735 11.098 -0.900 1.00 51.35 H new ATOM 0 HD23 LEU A2097 0.901 10.585 -0.423 1.00 51.35 H new ATOM 1386 N THR A2098 1.424 12.107 -4.310 1.00 34.14 N ATOM 1387 CA THR A2098 0.936 11.417 -5.490 1.00 3.34 C ATOM 1388 C THR A2098 1.909 10.310 -5.900 1.00 24.04 C ATOM 1389 O THR A2098 1.494 9.183 -6.170 1.00 24.45 O ATOM 1390 CB THR A2098 0.708 12.461 -6.586 1.00 40.01 C ATOM 1391 OG1 THR A2098 -0.392 13.230 -6.109 1.00 73.11 O ATOM 1392 CG2 THR A2098 0.194 11.841 -7.888 1.00 14.04 C ATOM 0 H THR A2098 1.634 13.095 -4.450 1.00 34.14 H new ATOM 0 HA THR A2098 -0.012 10.917 -5.293 1.00 3.34 H new ATOM 0 HB THR A2098 1.640 12.992 -6.781 1.00 40.01 H new ATOM 0 HG1 THR A2098 -0.084 13.843 -5.409 1.00 73.11 H new ATOM 0 HG21 THR A2098 0.049 12.625 -8.632 1.00 14.04 H new ATOM 0 HG22 THR A2098 0.921 11.119 -8.259 1.00 14.04 H new ATOM 0 HG23 THR A2098 -0.755 11.338 -7.702 1.00 14.04 H new ATOM 1400 N GLN A2099 3.184 10.667 -5.934 1.00 55.20 N ATOM 1401 CA GLN A2099 4.219 9.718 -6.307 1.00 32.41 C ATOM 1402 C GLN A2099 4.120 8.460 -5.441 1.00 64.33 C ATOM 1403 O GLN A2099 4.086 7.346 -5.960 1.00 63.20 O ATOM 1404 CB GLN A2099 5.608 10.350 -6.200 1.00 61.12 C ATOM 1405 CG GLN A2099 6.281 10.432 -7.573 1.00 35.35 C ATOM 1406 CD GLN A2099 6.282 11.869 -8.097 1.00 40.21 C ATOM 1407 OE1 GLN A2099 5.314 12.603 -7.980 1.00 0.23 O ATOM 1408 NE2 GLN A2099 7.421 12.229 -8.683 1.00 41.00 N ATOM 0 H GLN A2099 3.524 11.602 -5.709 1.00 55.20 H new ATOM 0 HA GLN A2099 4.066 9.433 -7.348 1.00 32.41 H new ATOM 0 HB2 GLN A2099 5.525 11.349 -5.772 1.00 61.12 H new ATOM 0 HB3 GLN A2099 6.227 9.763 -5.522 1.00 61.12 H new ATOM 0 HG2 GLN A2099 7.305 10.066 -7.503 1.00 35.35 H new ATOM 0 HG3 GLN A2099 5.759 9.784 -8.277 1.00 35.35 H new ATOM 0 HE21 GLN A2099 8.193 11.566 -8.748 1.00 41.00 H new ATOM 0 HE22 GLN A2099 7.522 13.168 -9.067 1.00 41.00 H new ATOM 1417 N ALA A2100 4.080 8.681 -4.135 1.00 72.53 N ATOM 1418 CA ALA A2100 3.987 7.580 -3.192 1.00 23.11 C ATOM 1419 C ALA A2100 2.701 6.795 -3.456 1.00 32.22 C ATOM 1420 O ALA A2100 2.710 5.564 -3.466 1.00 52.23 O ATOM 1421 CB ALA A2100 4.057 8.123 -1.764 1.00 1.42 C ATOM 0 H ALA A2100 4.110 9.607 -3.708 1.00 72.53 H new ATOM 0 HA ALA A2100 4.824 6.893 -3.320 1.00 23.11 H new ATOM 0 HB1 ALA A2100 3.987 7.297 -1.057 1.00 1.42 H new ATOM 0 HB2 ALA A2100 5.003 8.646 -1.619 1.00 1.42 H new ATOM 0 HB3 ALA A2100 3.231 8.814 -1.597 1.00 1.42 H new ATOM 1427 N TRP A2101 1.623 7.540 -3.664 1.00 11.04 N ATOM 1428 CA TRP A2101 0.333 6.930 -3.926 1.00 23.45 C ATOM 1429 C TRP A2101 0.454 6.092 -5.201 1.00 2.21 C ATOM 1430 O TRP A2101 -0.227 5.079 -5.352 1.00 43.53 O ATOM 1431 CB TRP A2101 -0.768 7.989 -4.011 1.00 33.50 C ATOM 1432 CG TRP A2101 -1.751 7.961 -2.838 1.00 65.10 C ATOM 1433 CD1 TRP A2101 -1.839 8.822 -1.815 1.00 3.33 C ATOM 1434 CD2 TRP A2101 -2.788 6.985 -2.609 1.00 75.23 C ATOM 1435 NE1 TRP A2101 -2.852 8.472 -0.945 1.00 53.44 N ATOM 1436 CE2 TRP A2101 -3.449 7.321 -1.445 1.00 13.15 C ATOM 1437 CE3 TRP A2101 -3.159 5.857 -3.361 1.00 21.23 C ATOM 1438 CZ2 TRP A2101 -4.518 6.579 -0.929 1.00 3.42 C ATOM 1439 CZ3 TRP A2101 -4.229 5.125 -2.832 1.00 32.34 C ATOM 1440 CH2 TRP A2101 -4.903 5.449 -1.661 1.00 54.02 C ATOM 0 H TRP A2101 1.619 8.560 -3.656 1.00 11.04 H new ATOM 0 HA TRP A2101 0.045 6.274 -3.104 1.00 23.45 H new ATOM 0 HB2 TRP A2101 -0.306 8.975 -4.061 1.00 33.50 H new ATOM 0 HB3 TRP A2101 -1.322 7.849 -4.939 1.00 33.50 H new ATOM 0 HD1 TRP A2101 -1.198 9.682 -1.687 1.00 3.33 H new ATOM 0 HE1 TRP A2101 -3.114 8.967 -0.092 1.00 53.44 H new ATOM 0 HE3 TRP A2101 -2.658 5.577 -4.276 1.00 21.23 H new ATOM 0 HZ2 TRP A2101 -5.019 6.863 -0.015 1.00 3.42 H new ATOM 0 HZ3 TRP A2101 -4.553 4.247 -3.372 1.00 32.34 H new ATOM 0 HH2 TRP A2101 -5.720 4.832 -1.317 1.00 54.02 H new ATOM 1451 N ASP A2102 1.329 6.547 -6.087 1.00 51.32 N ATOM 1452 CA ASP A2102 1.551 5.853 -7.344 1.00 34.45 C ATOM 1453 C ASP A2102 2.197 4.495 -7.065 1.00 20.24 C ATOM 1454 O ASP A2102 1.724 3.466 -7.549 1.00 74.11 O ATOM 1455 CB ASP A2102 2.490 6.646 -8.254 1.00 20.03 C ATOM 1456 CG ASP A2102 2.169 6.561 -9.748 1.00 54.34 C ATOM 1457 OD1 ASP A2102 1.052 6.193 -10.141 1.00 2.41 O ATOM 1458 OD2 ASP A2102 3.136 6.898 -10.532 1.00 22.44 O ATOM 0 H ASP A2102 1.892 7.388 -5.959 1.00 51.32 H new ATOM 0 HA ASP A2102 0.587 5.735 -7.838 1.00 34.45 H new ATOM 0 HB2 ASP A2102 2.466 7.693 -7.952 1.00 20.03 H new ATOM 0 HB3 ASP A2102 3.509 6.292 -8.096 1.00 20.03 H new ATOM 1464 N LEU A2103 3.269 4.534 -6.287 1.00 34.41 N ATOM 1465 CA LEU A2103 3.984 3.318 -5.937 1.00 45.44 C ATOM 1466 C LEU A2103 3.006 2.309 -5.338 1.00 12.22 C ATOM 1467 O LEU A2103 2.926 1.169 -5.794 1.00 44.43 O ATOM 1468 CB LEU A2103 5.172 3.640 -5.028 1.00 51.40 C ATOM 1469 CG LEU A2103 6.394 4.258 -5.711 1.00 61.35 C ATOM 1470 CD1 LEU A2103 6.133 5.718 -6.084 1.00 65.01 C ATOM 1471 CD2 LEU A2103 7.644 4.101 -4.844 1.00 42.13 C ATOM 0 H LEU A2103 3.660 5.388 -5.889 1.00 34.41 H new ATOM 0 HA LEU A2103 4.409 2.856 -6.828 1.00 45.44 H new ATOM 0 HB2 LEU A2103 4.833 4.323 -4.249 1.00 51.40 H new ATOM 0 HB3 LEU A2103 5.484 2.721 -4.533 1.00 51.40 H new ATOM 0 HG LEU A2103 6.577 3.717 -6.639 1.00 61.35 H new ATOM 0 HD11 LEU A2103 7.017 6.134 -6.568 1.00 65.01 H new ATOM 0 HD12 LEU A2103 5.286 5.773 -6.767 1.00 65.01 H new ATOM 0 HD13 LEU A2103 5.910 6.289 -5.183 1.00 65.01 H new ATOM 0 HD21 LEU A2103 8.498 4.549 -5.352 1.00 42.13 H new ATOM 0 HD22 LEU A2103 7.489 4.600 -3.888 1.00 42.13 H new ATOM 0 HD23 LEU A2103 7.838 3.042 -4.673 1.00 42.13 H new ATOM 1483 N TYR A2104 2.284 2.764 -4.322 1.00 44.50 N ATOM 1484 CA TYR A2104 1.313 1.914 -3.656 1.00 32.34 C ATOM 1485 C TYR A2104 0.325 1.316 -4.659 1.00 71.22 C ATOM 1486 O TYR A2104 0.177 0.098 -4.740 1.00 72.54 O ATOM 1487 CB TYR A2104 0.552 2.821 -2.688 1.00 55.31 C ATOM 1488 CG TYR A2104 1.361 3.233 -1.454 1.00 21.51 C ATOM 1489 CD1 TYR A2104 2.180 2.318 -0.829 1.00 22.23 C ATOM 1490 CD2 TYR A2104 1.269 4.522 -0.968 1.00 40.12 C ATOM 1491 CE1 TYR A2104 2.940 2.704 0.332 1.00 24.11 C ATOM 1492 CE2 TYR A2104 2.028 4.909 0.191 1.00 40.40 C ATOM 1493 CZ TYR A2104 2.827 3.981 0.784 1.00 50.21 C ATOM 1494 OH TYR A2104 3.545 4.347 1.880 1.00 74.22 O ATOM 0 H TYR A2104 2.353 3.709 -3.945 1.00 44.50 H new ATOM 0 HA TYR A2104 1.812 1.087 -3.150 1.00 32.34 H new ATOM 0 HB2 TYR A2104 0.237 3.719 -3.219 1.00 55.31 H new ATOM 0 HB3 TYR A2104 -0.353 2.309 -2.362 1.00 55.31 H new ATOM 0 HD1 TYR A2104 2.252 1.310 -1.210 1.00 22.23 H new ATOM 0 HD2 TYR A2104 0.627 5.239 -1.458 1.00 40.12 H new ATOM 0 HE1 TYR A2104 3.584 1.996 0.832 1.00 24.11 H new ATOM 0 HE2 TYR A2104 1.965 5.914 0.582 1.00 40.40 H new ATOM 0 HH TYR A2104 3.367 5.288 2.089 1.00 74.22 H new ATOM 1504 N TYR A2105 -0.326 2.203 -5.399 1.00 31.30 N ATOM 1505 CA TYR A2105 -1.295 1.779 -6.395 1.00 53.21 C ATOM 1506 C TYR A2105 -0.725 0.665 -7.274 1.00 22.33 C ATOM 1507 O TYR A2105 -1.450 -0.243 -7.679 1.00 20.20 O ATOM 1508 CB TYR A2105 -1.573 3.007 -7.263 1.00 24.11 C ATOM 1509 CG TYR A2105 -2.928 2.971 -7.976 1.00 54.55 C ATOM 1510 CD1 TYR A2105 -3.628 1.789 -8.067 1.00 22.24 C ATOM 1511 CD2 TYR A2105 -3.445 4.127 -8.526 1.00 1.12 C ATOM 1512 CE1 TYR A2105 -4.902 1.755 -8.736 1.00 62.12 C ATOM 1513 CE2 TYR A2105 -4.720 4.094 -9.197 1.00 51.51 C ATOM 1514 CZ TYR A2105 -5.385 2.909 -9.269 1.00 34.51 C ATOM 1515 OH TYR A2105 -6.588 2.879 -9.902 1.00 54.13 O ATOM 0 H TYR A2105 -0.201 3.213 -5.328 1.00 31.30 H new ATOM 0 HA TYR A2105 -2.195 1.395 -5.916 1.00 53.21 H new ATOM 0 HB2 TYR A2105 -1.526 3.899 -6.638 1.00 24.11 H new ATOM 0 HB3 TYR A2105 -0.784 3.098 -8.009 1.00 24.11 H new ATOM 0 HD1 TYR A2105 -3.221 0.886 -7.636 1.00 22.24 H new ATOM 0 HD2 TYR A2105 -2.895 5.054 -8.454 1.00 1.12 H new ATOM 0 HE1 TYR A2105 -5.461 0.834 -8.813 1.00 62.12 H new ATOM 0 HE2 TYR A2105 -5.138 4.989 -9.633 1.00 51.51 H new ATOM 0 HH TYR A2105 -6.807 3.776 -10.231 1.00 54.13 H new ATOM 1525 N HIS A2106 0.567 0.769 -7.545 1.00 1.44 N ATOM 1526 CA HIS A2106 1.242 -0.218 -8.370 1.00 43.25 C ATOM 1527 C HIS A2106 1.230 -1.574 -7.661 1.00 12.34 C ATOM 1528 O HIS A2106 0.953 -2.600 -8.280 1.00 24.23 O ATOM 1529 CB HIS A2106 2.653 0.250 -8.732 1.00 62.22 C ATOM 1530 CG HIS A2106 2.774 0.817 -10.126 1.00 63.03 C ATOM 1531 ND1 HIS A2106 2.062 0.318 -11.204 1.00 15.33 N ATOM 1532 CD2 HIS A2106 3.529 1.846 -10.608 1.00 30.15 C ATOM 1533 CE1 HIS A2106 2.384 1.022 -12.279 1.00 21.42 C ATOM 1534 NE2 HIS A2106 3.292 1.968 -11.907 1.00 63.35 N ATOM 0 H HIS A2106 1.165 1.523 -7.207 1.00 1.44 H new ATOM 0 HA HIS A2106 0.708 -0.336 -9.313 1.00 43.25 H new ATOM 0 HB2 HIS A2106 2.969 1.007 -8.014 1.00 62.22 H new ATOM 0 HB3 HIS A2106 3.340 -0.590 -8.632 1.00 62.22 H new ATOM 0 HD2 HIS A2106 4.205 2.458 -10.029 1.00 30.15 H new ATOM 0 HE1 HIS A2106 1.995 0.873 -13.275 1.00 21.42 H new ATOM 0 HE2 HIS A2106 3.719 2.657 -12.526 1.00 63.35 H new ATOM 1543 N VAL A2107 1.535 -1.534 -6.372 1.00 25.53 N ATOM 1544 CA VAL A2107 1.562 -2.746 -5.572 1.00 70.12 C ATOM 1545 C VAL A2107 0.130 -3.149 -5.216 1.00 23.34 C ATOM 1546 O VAL A2107 -0.195 -4.337 -5.181 1.00 72.30 O ATOM 1547 CB VAL A2107 2.448 -2.542 -4.342 1.00 44.31 C ATOM 1548 CG1 VAL A2107 3.517 -1.479 -4.608 1.00 33.20 C ATOM 1549 CG2 VAL A2107 1.609 -2.181 -3.115 1.00 3.42 C ATOM 0 H VAL A2107 1.765 -0.681 -5.862 1.00 25.53 H new ATOM 0 HA VAL A2107 2.000 -3.567 -6.139 1.00 70.12 H new ATOM 0 HB VAL A2107 2.956 -3.484 -4.134 1.00 44.31 H new ATOM 0 HG11 VAL A2107 4.134 -1.353 -3.718 1.00 33.20 H new ATOM 0 HG12 VAL A2107 4.144 -1.794 -5.442 1.00 33.20 H new ATOM 0 HG13 VAL A2107 3.036 -0.532 -4.853 1.00 33.20 H new ATOM 0 HG21 VAL A2107 2.264 -2.042 -2.255 1.00 3.42 H new ATOM 0 HG22 VAL A2107 1.061 -1.259 -3.307 1.00 3.42 H new ATOM 0 HG23 VAL A2107 0.903 -2.985 -2.907 1.00 3.42 H new ATOM 1559 N PHE A2108 -0.689 -2.141 -4.960 1.00 22.23 N ATOM 1560 CA PHE A2108 -2.079 -2.375 -4.608 1.00 1.53 C ATOM 1561 C PHE A2108 -2.878 -2.861 -5.819 1.00 11.31 C ATOM 1562 O PHE A2108 -3.790 -3.676 -5.681 1.00 32.13 O ATOM 1563 CB PHE A2108 -2.654 -1.038 -4.138 1.00 11.43 C ATOM 1564 CG PHE A2108 -2.529 -0.801 -2.631 1.00 23.33 C ATOM 1565 CD1 PHE A2108 -1.404 -0.231 -2.125 1.00 15.22 C ATOM 1566 CD2 PHE A2108 -3.542 -1.163 -1.799 1.00 31.11 C ATOM 1567 CE1 PHE A2108 -1.287 -0.012 -0.726 1.00 51.23 C ATOM 1568 CE2 PHE A2108 -3.425 -0.945 -0.401 1.00 63.14 C ATOM 1569 CZ PHE A2108 -2.300 -0.372 0.106 1.00 5.54 C ATOM 0 H PHE A2108 -0.417 -1.158 -4.989 1.00 22.23 H new ATOM 0 HA PHE A2108 -2.141 -3.140 -3.834 1.00 1.53 H new ATOM 0 HB2 PHE A2108 -2.146 -0.230 -4.666 1.00 11.43 H new ATOM 0 HB3 PHE A2108 -3.707 -0.989 -4.417 1.00 11.43 H new ATOM 0 HD1 PHE A2108 -0.599 0.055 -2.786 1.00 15.22 H new ATOM 0 HD2 PHE A2108 -4.436 -1.616 -2.202 1.00 31.11 H new ATOM 0 HE1 PHE A2108 -0.393 0.441 -0.323 1.00 51.23 H new ATOM 0 HE2 PHE A2108 -4.229 -1.234 0.260 1.00 63.14 H new ATOM 0 HZ PHE A2108 -2.212 -0.203 1.169 1.00 5.54 H new ATOM 1579 N ARG A2109 -2.505 -2.343 -6.981 1.00 64.01 N ATOM 1580 CA ARG A2109 -3.175 -2.714 -8.215 1.00 30.35 C ATOM 1581 C ARG A2109 -2.638 -4.053 -8.728 1.00 52.42 C ATOM 1582 O ARG A2109 -3.350 -4.793 -9.404 1.00 54.21 O ATOM 1583 CB ARG A2109 -2.976 -1.646 -9.292 1.00 33.14 C ATOM 1584 CG ARG A2109 -1.552 -1.686 -9.848 1.00 42.52 C ATOM 1585 CD ARG A2109 -1.522 -2.335 -11.234 1.00 1.04 C ATOM 1586 NE ARG A2109 -0.965 -1.388 -12.226 1.00 31.22 N ATOM 1587 CZ ARG A2109 -1.084 -1.536 -13.562 1.00 74.53 C ATOM 1588 NH1 ARG A2109 -1.743 -2.593 -14.078 1.00 21.31 N ATOM 1589 NH2 ARG A2109 -0.547 -0.628 -14.354 1.00 62.53 N ATOM 0 H ARG A2109 -1.747 -1.669 -7.093 1.00 64.01 H new ATOM 0 HA ARG A2109 -4.240 -2.803 -8.001 1.00 30.35 H new ATOM 0 HB2 ARG A2109 -3.690 -1.802 -10.100 1.00 33.14 H new ATOM 0 HB3 ARG A2109 -3.179 -0.660 -8.873 1.00 33.14 H new ATOM 0 HG2 ARG A2109 -1.153 -0.674 -9.908 1.00 42.52 H new ATOM 0 HG3 ARG A2109 -0.908 -2.243 -9.168 1.00 42.52 H new ATOM 0 HD2 ARG A2109 -0.918 -3.242 -11.207 1.00 1.04 H new ATOM 0 HD3 ARG A2109 -2.529 -2.631 -11.528 1.00 1.04 H new ATOM 0 HE ARG A2109 -0.460 -0.573 -11.878 1.00 31.22 H new ATOM 0 HH11 ARG A2109 -2.156 -3.289 -13.457 1.00 21.31 H new ATOM 0 HH12 ARG A2109 -1.828 -2.697 -15.089 1.00 21.31 H new ATOM 0 HH21 ARG A2109 -0.052 0.169 -13.954 1.00 62.53 H new ATOM 0 HH22 ARG A2109 -0.627 -0.723 -15.366 1.00 62.53 H new ATOM 1601 N ARG A2110 -1.386 -4.321 -8.389 1.00 53.11 N ATOM 1602 CA ARG A2110 -0.745 -5.556 -8.807 1.00 41.40 C ATOM 1603 C ARG A2110 -1.344 -6.747 -8.055 1.00 41.41 C ATOM 1604 O ARG A2110 -1.738 -7.738 -8.666 1.00 11.30 O ATOM 1605 CB ARG A2110 0.763 -5.508 -8.553 1.00 55.21 C ATOM 1606 CG ARG A2110 1.508 -4.963 -9.775 1.00 62.41 C ATOM 1607 CD ARG A2110 1.613 -6.025 -10.871 1.00 54.15 C ATOM 1608 NE ARG A2110 2.993 -6.070 -11.401 1.00 21.53 N ATOM 1609 CZ ARG A2110 3.417 -6.946 -12.336 1.00 4.24 C ATOM 1610 NH1 ARG A2110 2.570 -7.860 -12.852 1.00 24.03 N ATOM 1611 NH2 ARG A2110 4.674 -6.897 -12.737 1.00 34.22 N ATOM 0 H ARG A2110 -0.798 -3.704 -7.829 1.00 53.11 H new ATOM 0 HA ARG A2110 -0.918 -5.673 -9.877 1.00 41.40 H new ATOM 0 HB2 ARG A2110 0.970 -4.880 -7.687 1.00 55.21 H new ATOM 0 HB3 ARG A2110 1.128 -6.508 -8.316 1.00 55.21 H new ATOM 0 HG2 ARG A2110 0.988 -4.087 -10.161 1.00 62.41 H new ATOM 0 HG3 ARG A2110 2.506 -4.638 -9.482 1.00 62.41 H new ATOM 0 HD2 ARG A2110 1.336 -7.001 -10.471 1.00 54.15 H new ATOM 0 HD3 ARG A2110 0.913 -5.800 -11.675 1.00 54.15 H new ATOM 0 HE ARG A2110 3.667 -5.396 -11.037 1.00 21.53 H new ATOM 0 HH11 ARG A2110 1.601 -7.893 -12.536 1.00 24.03 H new ATOM 0 HH12 ARG A2110 2.899 -8.518 -13.558 1.00 24.03 H new ATOM 0 HH21 ARG A2110 5.309 -6.204 -12.341 1.00 34.22 H new ATOM 0 HH22 ARG A2110 5.010 -7.552 -13.443 1.00 34.22 H new ATOM 1623 N ILE A2111 -1.393 -6.608 -6.737 1.00 41.11 N ATOM 1624 CA ILE A2111 -1.937 -7.659 -5.895 1.00 64.23 C ATOM 1625 C ILE A2111 -3.209 -8.215 -6.538 1.00 63.31 C ATOM 1626 O ILE A2111 -3.510 -9.401 -6.403 1.00 53.34 O ATOM 1627 CB ILE A2111 -2.145 -7.150 -4.468 1.00 55.54 C ATOM 1628 CG1 ILE A2111 -2.847 -5.789 -4.467 1.00 23.34 C ATOM 1629 CG2 ILE A2111 -0.820 -7.110 -3.703 1.00 31.10 C ATOM 1630 CD1 ILE A2111 -3.050 -5.277 -3.040 1.00 21.11 C ATOM 0 H ILE A2111 -1.065 -5.784 -6.233 1.00 41.11 H new ATOM 0 HA ILE A2111 -1.230 -8.485 -5.815 1.00 64.23 H new ATOM 0 HB ILE A2111 -2.799 -7.850 -3.948 1.00 55.54 H new ATOM 0 HG12 ILE A2111 -2.255 -5.070 -5.034 1.00 23.34 H new ATOM 0 HG13 ILE A2111 -3.812 -5.873 -4.967 1.00 23.34 H new ATOM 0 HG21 ILE A2111 -0.995 -6.745 -2.691 1.00 31.10 H new ATOM 0 HG22 ILE A2111 -0.395 -8.113 -3.658 1.00 31.10 H new ATOM 0 HG23 ILE A2111 -0.125 -6.444 -4.214 1.00 31.10 H new ATOM 0 HD11 ILE A2111 -3.550 -4.309 -3.068 1.00 21.11 H new ATOM 0 HD12 ILE A2111 -3.662 -5.986 -2.483 1.00 21.11 H new ATOM 0 HD13 ILE A2111 -2.082 -5.171 -2.550 1.00 21.11 H new ATOM 1642 N SER A2112 -3.921 -7.335 -7.227 1.00 11.43 N ATOM 1643 CA SER A2112 -5.153 -7.723 -7.891 1.00 2.40 C ATOM 1644 C SER A2112 -4.847 -8.241 -9.298 1.00 5.10 C ATOM 1645 O SER A2112 -5.232 -9.355 -9.651 1.00 41.33 O ATOM 1646 CB SER A2112 -6.136 -6.552 -7.960 1.00 0.31 C ATOM 1647 OG SER A2112 -5.519 -5.367 -8.453 1.00 52.25 O ATOM 0 H SER A2112 -3.667 -6.353 -7.340 1.00 11.43 H new ATOM 0 HA SER A2112 -5.619 -8.519 -7.309 1.00 2.40 H new ATOM 0 HB2 SER A2112 -6.974 -6.819 -8.604 1.00 0.31 H new ATOM 0 HB3 SER A2112 -6.544 -6.362 -6.967 1.00 0.31 H new ATOM 0 HG SER A2112 -4.559 -5.524 -8.573 1.00 52.25 H new ATOM 1653 N LYS A2113 -4.157 -7.408 -10.064 1.00 73.45 N ATOM 1654 CA LYS A2113 -3.795 -7.768 -11.425 1.00 23.44 C ATOM 1655 C LYS A2113 -3.314 -9.220 -11.453 1.00 41.34 C ATOM 1656 O LYS A2113 -2.381 -9.582 -10.738 1.00 12.32 O ATOM 1657 CB LYS A2113 -2.781 -6.772 -11.991 1.00 15.44 C ATOM 1658 CG LYS A2113 -3.350 -6.039 -13.207 1.00 32.11 C ATOM 1659 CD LYS A2113 -4.332 -4.947 -12.778 1.00 54.33 C ATOM 1660 CE LYS A2113 -5.459 -4.789 -13.802 1.00 13.41 C ATOM 1661 NZ LYS A2113 -5.917 -3.383 -13.855 1.00 44.41 N ATOM 0 H LYS A2113 -3.839 -6.485 -9.768 1.00 73.45 H new ATOM 0 HA LYS A2113 -4.665 -7.708 -12.079 1.00 23.44 H new ATOM 0 HB2 LYS A2113 -2.508 -6.050 -11.222 1.00 15.44 H new ATOM 0 HB3 LYS A2113 -1.869 -7.298 -12.273 1.00 15.44 H new ATOM 0 HG2 LYS A2113 -2.537 -5.596 -13.783 1.00 32.11 H new ATOM 0 HG3 LYS A2113 -3.854 -6.750 -13.862 1.00 32.11 H new ATOM 0 HD2 LYS A2113 -4.753 -5.194 -11.804 1.00 54.33 H new ATOM 0 HD3 LYS A2113 -3.803 -4.001 -12.666 1.00 54.33 H new ATOM 0 HE2 LYS A2113 -5.111 -5.102 -14.786 1.00 13.41 H new ATOM 0 HE3 LYS A2113 -6.293 -5.440 -13.538 1.00 13.41 H new ATOM 0 HZ1 LYS A2113 -6.682 -3.293 -14.554 1.00 44.41 H new ATOM 0 HZ2 LYS A2113 -6.269 -3.097 -12.919 1.00 44.41 H new ATOM 0 HZ3 LYS A2113 -5.123 -2.769 -14.129 1.00 44.41 H new