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 71:sc= 1.23 USER MOD Set 1.2: A2104 TYR OH : rot 159:sc= 1.46 USER MOD Set 2.1: A2026 MET CE :methyl 176:sc= -9.58! (180deg=-3.64) USER MOD Set 2.2: A2057 MET CE :methyl 169:sc= -1.91 (180deg=-1.27) USER MOD Set 2.3: A2058 MET CE :methyl -149:sc= -14.6! (180deg=-10.1!) USER MOD Single : A2024 HIS : no HD1:sc= -0.888 X(o=-0.89,f=-1) USER MOD Single : A2028 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.62) USER MOD Single : A2035 SER OG : rot 67:sc= 0.97 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.0571 K(o=-0.057,f=-0.58) USER MOD Single : A2045 LYS NZ :NH3+ -116:sc= 0.0297 (180deg=0) USER MOD Single : A2047 MET CE :methyl -136:sc= -3.62 (180deg=-11.2!) USER MOD Single : A2055 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-2.7!) USER MOD Single : A2063 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.2!) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 67:sc= 0.362 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0797 K(o=-0.08,f=-1.5!) USER MOD Single : A2072 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A2074 TYR OH : rot 180:sc= -0.0207 USER MOD Single : A2079 MET CE :methyl 159:sc= -0.208 (180deg=-1.21) USER MOD Single : A2082 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.18) USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -118:sc= -1.98 (180deg=-6.67!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 58:sc= 0.937 USER MOD Single : A2093 ASN : amide:sc= -0.195 K(o=-0.2,f=0.42) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A2112 SER OG : rot 180:sc= 0 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -7.551 -12.834 3.001 1.00 30.22 N ATOM 144 CA LEU A2022 -6.289 -12.795 2.284 1.00 71.34 C ATOM 145 C LEU A2022 -5.667 -11.405 2.432 1.00 34.24 C ATOM 146 O LEU A2022 -6.381 -10.409 2.541 1.00 43.11 O ATOM 147 CB LEU A2022 -6.484 -13.229 0.831 1.00 4.21 C ATOM 148 CG LEU A2022 -5.527 -14.307 0.318 1.00 65.32 C ATOM 149 CD1 LEU A2022 -4.072 -13.864 0.470 1.00 10.24 C ATOM 150 CD2 LEU A2022 -5.793 -15.648 1.007 1.00 3.43 C ATOM 0 HA LEU A2022 -5.585 -13.508 2.713 1.00 71.34 H new ATOM 0 HB2 LEU A2022 -7.505 -13.593 0.715 1.00 4.21 H new ATOM 0 HB3 LEU A2022 -6.385 -12.350 0.194 1.00 4.21 H new ATOM 0 HG LEU A2022 -5.711 -14.450 -0.747 1.00 65.32 H new ATOM 0 HD11 LEU A2022 -3.412 -14.648 0.098 1.00 10.24 H new ATOM 0 HD12 LEU A2022 -3.908 -12.950 -0.102 1.00 10.24 H new ATOM 0 HD13 LEU A2022 -3.857 -13.677 1.522 1.00 10.24 H new ATOM 0 HD21 LEU A2022 -5.100 -16.397 0.625 1.00 3.43 H new ATOM 0 HD22 LEU A2022 -5.653 -15.539 2.082 1.00 3.43 H new ATOM 0 HD23 LEU A2022 -6.816 -15.964 0.805 1.00 3.43 H new ATOM 162 N TRP A2023 -4.342 -11.381 2.432 1.00 54.25 N ATOM 163 CA TRP A2023 -3.616 -10.130 2.565 1.00 54.22 C ATOM 164 C TRP A2023 -4.199 -9.135 1.559 1.00 61.11 C ATOM 165 O TRP A2023 -4.557 -8.016 1.922 1.00 53.32 O ATOM 166 CB TRP A2023 -2.111 -10.347 2.389 1.00 72.45 C ATOM 167 CG TRP A2023 -1.372 -10.659 3.690 1.00 53.54 C ATOM 168 CD1 TRP A2023 -1.894 -11.013 4.873 1.00 52.02 C ATOM 169 CD2 TRP A2023 0.057 -10.629 3.895 1.00 54.41 C ATOM 170 NE1 TRP A2023 -0.910 -11.214 5.820 1.00 53.05 N ATOM 171 CE2 TRP A2023 0.313 -10.972 5.208 1.00 54.42 C ATOM 172 CE3 TRP A2023 1.099 -10.321 3.002 1.00 60.45 C ATOM 173 CZ2 TRP A2023 1.605 -11.040 5.743 1.00 25.40 C ATOM 174 CZ3 TRP A2023 2.383 -10.394 3.554 1.00 5.34 C ATOM 175 CH2 TRP A2023 2.658 -10.738 4.871 1.00 14.12 C ATOM 0 H TRP A2023 -3.753 -12.209 2.342 1.00 54.25 H new ATOM 0 HA TRP A2023 -3.735 -9.720 3.568 1.00 54.22 H new ATOM 0 HB2 TRP A2023 -1.952 -11.166 1.687 1.00 72.45 H new ATOM 0 HB3 TRP A2023 -1.675 -9.454 1.941 1.00 72.45 H new ATOM 0 HD1 TRP A2023 -2.951 -11.127 5.061 1.00 52.02 H new ATOM 0 HE1 TRP A2023 -1.055 -11.490 6.791 1.00 53.05 H new ATOM 0 HE3 TRP A2023 0.922 -10.050 1.972 1.00 60.45 H new ATOM 0 HZ2 TRP A2023 1.780 -11.311 6.774 1.00 25.40 H new ATOM 0 HZ3 TRP A2023 3.220 -10.167 2.910 1.00 5.34 H new ATOM 0 HH2 TRP A2023 3.679 -10.772 5.221 1.00 14.12 H new ATOM 186 N HIS A2024 -4.276 -9.581 0.314 1.00 64.20 N ATOM 187 CA HIS A2024 -4.810 -8.744 -0.748 1.00 54.31 C ATOM 188 C HIS A2024 -6.118 -8.102 -0.287 1.00 61.10 C ATOM 189 O HIS A2024 -6.514 -7.054 -0.797 1.00 61.23 O ATOM 190 CB HIS A2024 -4.964 -9.544 -2.043 1.00 44.14 C ATOM 191 CG HIS A2024 -3.876 -10.566 -2.268 1.00 2.10 C ATOM 192 ND1 HIS A2024 -4.141 -11.909 -2.470 1.00 4.23 N ATOM 193 CD2 HIS A2024 -2.521 -10.428 -2.322 1.00 44.41 C ATOM 194 CE1 HIS A2024 -2.988 -12.543 -2.636 1.00 53.43 C ATOM 195 NE2 HIS A2024 -1.986 -11.621 -2.544 1.00 11.41 N ATOM 0 H HIS A2024 -3.978 -10.510 0.017 1.00 64.20 H new ATOM 0 HA HIS A2024 -4.110 -7.938 -0.969 1.00 54.31 H new ATOM 0 HB2 HIS A2024 -5.928 -10.052 -2.031 1.00 44.14 H new ATOM 0 HB3 HIS A2024 -4.978 -8.852 -2.885 1.00 44.14 H new ATOM 0 HD2 HIS A2024 -1.975 -9.503 -2.204 1.00 44.41 H new ATOM 0 HE1 HIS A2024 -2.864 -13.601 -2.813 1.00 53.43 H new ATOM 0 HE2 HIS A2024 -0.989 -11.817 -2.632 1.00 11.41 H new ATOM 204 N GLU A2025 -6.756 -8.757 0.673 1.00 43.41 N ATOM 205 CA GLU A2025 -8.012 -8.262 1.208 1.00 22.31 C ATOM 206 C GLU A2025 -7.790 -6.952 1.964 1.00 31.11 C ATOM 207 O GLU A2025 -8.642 -6.065 1.945 1.00 24.02 O ATOM 208 CB GLU A2025 -8.674 -9.307 2.108 1.00 23.30 C ATOM 209 CG GLU A2025 -10.178 -9.058 2.225 1.00 43.25 C ATOM 210 CD GLU A2025 -10.570 -8.739 3.670 1.00 61.01 C ATOM 211 OE1 GLU A2025 -9.802 -9.030 4.600 1.00 70.10 O ATOM 212 OE2 GLU A2025 -11.719 -8.168 3.810 1.00 34.32 O ATOM 0 H GLU A2025 -6.426 -9.626 1.093 1.00 43.41 H new ATOM 0 HA GLU A2025 -8.686 -8.067 0.374 1.00 22.31 H new ATOM 0 HB2 GLU A2025 -8.497 -10.304 1.704 1.00 23.30 H new ATOM 0 HB3 GLU A2025 -8.219 -9.279 3.098 1.00 23.30 H new ATOM 0 HG2 GLU A2025 -10.465 -8.231 1.575 1.00 43.25 H new ATOM 0 HG3 GLU A2025 -10.724 -9.937 1.882 1.00 43.25 H new ATOM 220 N MET A2026 -6.636 -6.870 2.613 1.00 52.45 N ATOM 221 CA MET A2026 -6.289 -5.680 3.374 1.00 73.51 C ATOM 222 C MET A2026 -5.838 -4.550 2.448 1.00 54.13 C ATOM 223 O MET A2026 -6.069 -3.377 2.738 1.00 41.34 O ATOM 224 CB MET A2026 -5.166 -6.015 4.359 1.00 51.52 C ATOM 225 CG MET A2026 -3.795 -5.879 3.693 1.00 54.14 C ATOM 226 SD MET A2026 -3.223 -4.193 3.814 1.00 3.42 S ATOM 227 CE MET A2026 -1.458 -4.463 3.812 1.00 70.41 C ATOM 0 H MET A2026 -5.931 -7.607 2.627 1.00 52.45 H new ATOM 0 HA MET A2026 -7.173 -5.347 3.917 1.00 73.51 H new ATOM 0 HB2 MET A2026 -5.223 -5.351 5.221 1.00 51.52 H new ATOM 0 HB3 MET A2026 -5.295 -7.031 4.731 1.00 51.52 H new ATOM 0 HG2 MET A2026 -3.081 -6.549 4.171 1.00 54.14 H new ATOM 0 HG3 MET A2026 -3.859 -6.176 2.646 1.00 54.14 H new ATOM 0 HE1 MET A2026 -0.943 -3.502 3.811 1.00 70.41 H new ATOM 0 HE2 MET A2026 -1.175 -5.025 4.702 1.00 70.41 H new ATOM 0 HE3 MET A2026 -1.177 -5.026 2.922 1.00 70.41 H new ATOM 237 N TRP A2027 -5.200 -4.941 1.355 1.00 63.33 N ATOM 238 CA TRP A2027 -4.716 -3.975 0.385 1.00 10.31 C ATOM 239 C TRP A2027 -5.926 -3.270 -0.229 1.00 74.12 C ATOM 240 O TRP A2027 -5.950 -2.043 -0.330 1.00 75.44 O ATOM 241 CB TRP A2027 -3.823 -4.646 -0.660 1.00 23.13 C ATOM 242 CG TRP A2027 -2.502 -5.178 -0.100 1.00 42.53 C ATOM 243 CD1 TRP A2027 -2.298 -6.289 0.620 1.00 31.43 C ATOM 244 CD2 TRP A2027 -1.200 -4.572 -0.247 1.00 24.25 C ATOM 245 NE1 TRP A2027 -0.966 -6.443 0.948 1.00 53.21 N ATOM 246 CE2 TRP A2027 -0.278 -5.365 0.404 1.00 35.54 C ATOM 247 CE3 TRP A2027 -0.815 -3.391 -0.907 1.00 32.45 C ATOM 248 CZ2 TRP A2027 1.089 -5.065 0.460 1.00 4.01 C ATOM 249 CZ3 TRP A2027 0.553 -3.106 -0.842 1.00 14.34 C ATOM 250 CH2 TRP A2027 1.496 -3.894 -0.192 1.00 74.42 C ATOM 0 H TRP A2027 -5.007 -5.915 1.120 1.00 63.33 H new ATOM 0 HA TRP A2027 -4.087 -3.228 0.869 1.00 10.31 H new ATOM 0 HB2 TRP A2027 -4.371 -5.471 -1.116 1.00 23.13 H new ATOM 0 HB3 TRP A2027 -3.608 -3.930 -1.453 1.00 23.13 H new ATOM 0 HD1 TRP A2027 -3.078 -6.978 0.908 1.00 31.43 H new ATOM 0 HE1 TRP A2027 -0.561 -7.207 1.490 1.00 53.21 H new ATOM 0 HE3 TRP A2027 -1.519 -2.755 -1.423 1.00 32.45 H new ATOM 0 HZ2 TRP A2027 1.791 -5.702 0.978 1.00 4.01 H new ATOM 0 HZ3 TRP A2027 0.902 -2.209 -1.332 1.00 14.34 H new ATOM 0 HH2 TRP A2027 2.537 -3.605 -0.190 1.00 74.42 H new ATOM 261 N HIS A2028 -6.904 -4.074 -0.622 1.00 11.14 N ATOM 262 CA HIS A2028 -8.115 -3.543 -1.222 1.00 41.54 C ATOM 263 C HIS A2028 -8.871 -2.698 -0.194 1.00 12.24 C ATOM 264 O HIS A2028 -9.114 -1.514 -0.418 1.00 74.33 O ATOM 265 CB HIS A2028 -8.969 -4.669 -1.807 1.00 43.33 C ATOM 266 CG HIS A2028 -10.455 -4.472 -1.618 1.00 4.23 C ATOM 267 ND1 HIS A2028 -11.275 -3.962 -2.610 1.00 41.20 N ATOM 268 CD2 HIS A2028 -11.258 -4.725 -0.546 1.00 60.33 C ATOM 269 CE1 HIS A2028 -12.515 -3.912 -2.143 1.00 12.43 C ATOM 270 NE2 HIS A2028 -12.502 -4.385 -0.864 1.00 32.12 N ATOM 0 H HIS A2028 -6.881 -5.090 -0.536 1.00 11.14 H new ATOM 0 HA HIS A2028 -7.856 -2.890 -2.056 1.00 41.54 H new ATOM 0 HB2 HIS A2028 -8.757 -4.757 -2.873 1.00 43.33 H new ATOM 0 HB3 HIS A2028 -8.676 -5.612 -1.345 1.00 43.33 H new ATOM 0 HD2 HIS A2028 -10.937 -5.133 0.401 1.00 60.33 H new ATOM 0 HE1 HIS A2028 -13.382 -3.559 -2.681 1.00 12.43 H new ATOM 0 HE2 HIS A2028 -13.314 -4.465 -0.252 1.00 32.12 H new ATOM 279 N GLU A2029 -9.217 -3.340 0.911 1.00 73.30 N ATOM 280 CA GLU A2029 -9.938 -2.663 1.976 1.00 24.35 C ATOM 281 C GLU A2029 -9.145 -1.451 2.466 1.00 54.14 C ATOM 282 O GLU A2029 -9.727 -0.423 2.815 1.00 44.24 O ATOM 283 CB GLU A2029 -10.243 -3.622 3.129 1.00 13.41 C ATOM 284 CG GLU A2029 -9.034 -3.770 4.053 1.00 63.24 C ATOM 285 CD GLU A2029 -9.077 -2.738 5.182 1.00 62.20 C ATOM 286 OE1 GLU A2029 -9.632 -1.644 5.001 1.00 70.24 O ATOM 287 OE2 GLU A2029 -8.509 -3.108 6.279 1.00 53.11 O ATOM 0 H GLU A2029 -9.012 -4.322 1.093 1.00 73.30 H new ATOM 0 HA GLU A2029 -10.890 -2.313 1.578 1.00 24.35 H new ATOM 0 HB2 GLU A2029 -11.097 -3.253 3.698 1.00 13.41 H new ATOM 0 HB3 GLU A2029 -10.523 -4.597 2.731 1.00 13.41 H new ATOM 0 HG2 GLU A2029 -9.015 -4.775 4.475 1.00 63.24 H new ATOM 0 HG3 GLU A2029 -8.116 -3.648 3.479 1.00 63.24 H new ATOM 295 N GLY A2030 -7.831 -1.610 2.479 1.00 40.13 N ATOM 296 CA GLY A2030 -6.951 -0.538 2.922 1.00 64.11 C ATOM 297 C GLY A2030 -7.152 0.721 2.076 1.00 63.44 C ATOM 298 O GLY A2030 -7.576 1.755 2.590 1.00 51.20 O ATOM 0 H GLY A2030 -7.352 -2.463 2.191 1.00 40.13 H new ATOM 0 HA2 GLY A2030 -7.147 -0.311 3.970 1.00 64.11 H new ATOM 0 HA3 GLY A2030 -5.913 -0.864 2.855 1.00 64.11 H new ATOM 302 N LEU A2031 -6.841 0.591 0.797 1.00 5.43 N ATOM 303 CA LEU A2031 -6.981 1.706 -0.125 1.00 1.51 C ATOM 304 C LEU A2031 -8.445 2.149 -0.164 1.00 51.21 C ATOM 305 O LEU A2031 -8.738 3.321 -0.392 1.00 12.22 O ATOM 306 CB LEU A2031 -6.413 1.343 -1.499 1.00 55.24 C ATOM 307 CG LEU A2031 -5.011 0.731 -1.502 1.00 21.14 C ATOM 308 CD1 LEU A2031 -4.289 1.024 -2.819 1.00 51.31 C ATOM 309 CD2 LEU A2031 -4.204 1.200 -0.291 1.00 74.40 C ATOM 0 H LEU A2031 -6.492 -0.270 0.375 1.00 5.43 H new ATOM 0 HA LEU A2031 -6.397 2.559 0.220 1.00 1.51 H new ATOM 0 HB2 LEU A2031 -7.096 0.642 -1.979 1.00 55.24 H new ATOM 0 HB3 LEU A2031 -6.397 2.243 -2.113 1.00 55.24 H new ATOM 0 HG LEU A2031 -5.111 -0.351 -1.422 1.00 21.14 H new ATOM 0 HD11 LEU A2031 -3.295 0.578 -2.796 1.00 51.31 H new ATOM 0 HD12 LEU A2031 -4.857 0.601 -3.647 1.00 51.31 H new ATOM 0 HD13 LEU A2031 -4.200 2.102 -2.953 1.00 51.31 H new ATOM 0 HD21 LEU A2031 -3.212 0.750 -0.318 1.00 74.40 H new ATOM 0 HD22 LEU A2031 -4.111 2.286 -0.314 1.00 74.40 H new ATOM 0 HD23 LEU A2031 -4.714 0.899 0.624 1.00 74.40 H new ATOM 321 N GLU A2032 -9.328 1.188 0.066 1.00 31.25 N ATOM 322 CA GLU A2032 -10.754 1.462 0.061 1.00 52.20 C ATOM 323 C GLU A2032 -11.077 2.604 1.027 1.00 65.42 C ATOM 324 O GLU A2032 -11.745 3.567 0.653 1.00 63.31 O ATOM 325 CB GLU A2032 -11.556 0.207 0.408 1.00 41.44 C ATOM 326 CG GLU A2032 -12.075 -0.479 -0.857 1.00 73.15 C ATOM 327 CD GLU A2032 -13.243 0.301 -1.464 1.00 21.20 C ATOM 328 OE1 GLU A2032 -14.332 0.351 -0.872 1.00 25.44 O ATOM 329 OE2 GLU A2032 -12.988 0.873 -2.592 1.00 71.32 O ATOM 0 H GLU A2032 -9.082 0.217 0.257 1.00 31.25 H new ATOM 0 HA GLU A2032 -11.042 1.769 -0.945 1.00 52.20 H new ATOM 0 HB2 GLU A2032 -10.930 -0.485 0.970 1.00 41.44 H new ATOM 0 HB3 GLU A2032 -12.394 0.473 1.052 1.00 41.44 H new ATOM 0 HG2 GLU A2032 -11.270 -0.561 -1.587 1.00 73.15 H new ATOM 0 HG3 GLU A2032 -12.395 -1.494 -0.620 1.00 73.15 H new ATOM 337 N GLU A2033 -10.589 2.458 2.249 1.00 54.45 N ATOM 338 CA GLU A2033 -10.817 3.466 3.272 1.00 72.22 C ATOM 339 C GLU A2033 -9.858 4.643 3.081 1.00 55.25 C ATOM 340 O GLU A2033 -10.276 5.798 3.104 1.00 41.51 O ATOM 341 CB GLU A2033 -10.679 2.867 4.673 1.00 44.03 C ATOM 342 CG GLU A2033 -11.551 3.622 5.680 1.00 24.42 C ATOM 343 CD GLU A2033 -11.967 2.710 6.834 1.00 34.12 C ATOM 344 OE1 GLU A2033 -12.716 1.744 6.624 1.00 65.13 O ATOM 345 OE2 GLU A2033 -11.484 3.032 7.986 1.00 43.11 O ATOM 0 H GLU A2033 -10.036 1.657 2.555 1.00 54.45 H new ATOM 0 HA GLU A2033 -11.838 3.835 3.170 1.00 72.22 H new ATOM 0 HB2 GLU A2033 -10.967 1.816 4.653 1.00 44.03 H new ATOM 0 HB3 GLU A2033 -9.636 2.906 4.988 1.00 44.03 H new ATOM 0 HG2 GLU A2033 -11.004 4.481 6.069 1.00 24.42 H new ATOM 0 HG3 GLU A2033 -12.438 4.010 5.180 1.00 24.42 H new ATOM 353 N ALA A2034 -8.590 4.306 2.897 1.00 13.32 N ATOM 354 CA ALA A2034 -7.567 5.321 2.703 1.00 31.12 C ATOM 355 C ALA A2034 -7.967 6.226 1.536 1.00 35.34 C ATOM 356 O ALA A2034 -7.853 7.446 1.626 1.00 13.35 O ATOM 357 CB ALA A2034 -6.213 4.645 2.480 1.00 4.53 C ATOM 0 H ALA A2034 -8.247 3.345 2.878 1.00 13.32 H new ATOM 0 HA ALA A2034 -7.476 5.948 3.590 1.00 31.12 H new ATOM 0 HB1 ALA A2034 -5.446 5.406 2.335 1.00 4.53 H new ATOM 0 HB2 ALA A2034 -5.962 4.038 3.350 1.00 4.53 H new ATOM 0 HB3 ALA A2034 -6.265 4.009 1.596 1.00 4.53 H new ATOM 363 N SER A2035 -8.429 5.591 0.469 1.00 50.51 N ATOM 364 CA SER A2035 -8.846 6.324 -0.715 1.00 63.11 C ATOM 365 C SER A2035 -10.179 7.028 -0.451 1.00 73.03 C ATOM 366 O SER A2035 -10.340 8.202 -0.777 1.00 64.11 O ATOM 367 CB SER A2035 -8.968 5.395 -1.924 1.00 20.14 C ATOM 368 OG SER A2035 -7.760 4.681 -2.171 1.00 4.34 O ATOM 0 H SER A2035 -8.524 4.578 0.399 1.00 50.51 H new ATOM 0 HA SER A2035 -8.085 7.071 -0.940 1.00 63.11 H new ATOM 0 HB2 SER A2035 -9.780 4.687 -1.757 1.00 20.14 H new ATOM 0 HB3 SER A2035 -9.231 5.980 -2.806 1.00 20.14 H new ATOM 0 HG SER A2035 -7.598 4.050 -1.439 1.00 4.34 H new ATOM 374 N ARG A2036 -11.101 6.280 0.140 1.00 13.32 N ATOM 375 CA ARG A2036 -12.414 6.819 0.450 1.00 34.41 C ATOM 376 C ARG A2036 -12.280 8.132 1.224 1.00 1.43 C ATOM 377 O ARG A2036 -12.883 9.138 0.854 1.00 41.40 O ATOM 378 CB ARG A2036 -13.232 5.828 1.281 1.00 34.51 C ATOM 379 CG ARG A2036 -14.125 4.967 0.384 1.00 73.54 C ATOM 380 CD ARG A2036 -14.957 3.989 1.218 1.00 25.12 C ATOM 381 NE ARG A2036 -16.331 4.513 1.389 1.00 23.44 N ATOM 382 CZ ARG A2036 -17.142 4.186 2.418 1.00 42.24 C ATOM 383 NH1 ARG A2036 -16.721 3.335 3.379 1.00 73.33 N ATOM 384 NH2 ARG A2036 -18.351 4.713 2.472 1.00 13.41 N ATOM 0 H ARG A2036 -10.964 5.306 0.412 1.00 13.32 H new ATOM 0 HA ARG A2036 -12.930 7.000 -0.493 1.00 34.41 H new ATOM 0 HB2 ARG A2036 -12.561 5.188 1.854 1.00 34.51 H new ATOM 0 HB3 ARG A2036 -13.847 6.370 1.999 1.00 34.51 H new ATOM 0 HG2 ARG A2036 -14.786 5.607 -0.200 1.00 73.54 H new ATOM 0 HG3 ARG A2036 -13.509 4.414 -0.325 1.00 73.54 H new ATOM 0 HD2 ARG A2036 -14.988 3.016 0.728 1.00 25.12 H new ATOM 0 HD3 ARG A2036 -14.491 3.841 2.192 1.00 25.12 H new ATOM 0 HE ARG A2036 -16.687 5.161 0.686 1.00 23.44 H new ATOM 0 HH11 ARG A2036 -15.784 2.934 3.331 1.00 73.33 H new ATOM 0 HH12 ARG A2036 -17.340 3.093 4.153 1.00 73.33 H new ATOM 0 HH21 ARG A2036 -18.660 5.357 1.743 1.00 13.41 H new ATOM 0 HH22 ARG A2036 -18.976 4.477 3.242 1.00 13.41 H new ATOM 396 N LEU A2037 -11.484 8.081 2.282 1.00 0.43 N ATOM 397 CA LEU A2037 -11.263 9.254 3.109 1.00 70.51 C ATOM 398 C LEU A2037 -10.472 10.293 2.313 1.00 63.12 C ATOM 399 O LEU A2037 -10.739 11.490 2.410 1.00 11.22 O ATOM 400 CB LEU A2037 -10.601 8.859 4.432 1.00 70.31 C ATOM 401 CG LEU A2037 -9.111 8.521 4.362 1.00 72.51 C ATOM 402 CD1 LEU A2037 -8.256 9.787 4.440 1.00 63.11 C ATOM 403 CD2 LEU A2037 -8.731 7.504 5.440 1.00 44.33 C ATOM 0 H LEU A2037 -10.984 7.245 2.585 1.00 0.43 H new ATOM 0 HA LEU A2037 -12.213 9.715 3.378 1.00 70.51 H new ATOM 0 HB2 LEU A2037 -10.735 9.676 5.141 1.00 70.31 H new ATOM 0 HB3 LEU A2037 -11.130 7.996 4.837 1.00 70.31 H new ATOM 0 HG LEU A2037 -8.910 8.058 3.396 1.00 72.51 H new ATOM 0 HD11 LEU A2037 -7.201 9.517 4.388 1.00 63.11 H new ATOM 0 HD12 LEU A2037 -8.504 10.445 3.607 1.00 63.11 H new ATOM 0 HD13 LEU A2037 -8.453 10.302 5.380 1.00 63.11 H new ATOM 0 HD21 LEU A2037 -7.667 7.280 5.370 1.00 44.33 H new ATOM 0 HD22 LEU A2037 -8.950 7.918 6.424 1.00 44.33 H new ATOM 0 HD23 LEU A2037 -9.305 6.589 5.295 1.00 44.33 H new ATOM 415 N TYR A2038 -9.516 9.798 1.541 1.00 23.12 N ATOM 416 CA TYR A2038 -8.684 10.669 0.728 1.00 74.13 C ATOM 417 C TYR A2038 -9.530 11.450 -0.280 1.00 52.11 C ATOM 418 O TYR A2038 -9.464 12.676 -0.333 1.00 44.52 O ATOM 419 CB TYR A2038 -7.726 9.750 -0.032 1.00 20.13 C ATOM 420 CG TYR A2038 -6.929 10.454 -1.131 1.00 24.35 C ATOM 421 CD1 TYR A2038 -5.803 11.181 -0.809 1.00 42.24 C ATOM 422 CD2 TYR A2038 -7.336 10.358 -2.446 1.00 43.35 C ATOM 423 CE1 TYR A2038 -5.052 11.845 -1.844 1.00 21.42 C ATOM 424 CE2 TYR A2038 -6.585 11.021 -3.482 1.00 45.30 C ATOM 425 CZ TYR A2038 -5.480 11.731 -3.129 1.00 4.11 C ATOM 426 OH TYR A2038 -4.772 12.356 -4.108 1.00 40.21 O ATOM 0 H TYR A2038 -9.299 8.805 1.461 1.00 23.12 H new ATOM 0 HA TYR A2038 -8.161 11.392 1.353 1.00 74.13 H new ATOM 0 HB2 TYR A2038 -7.030 9.302 0.677 1.00 20.13 H new ATOM 0 HB3 TYR A2038 -8.297 8.935 -0.477 1.00 20.13 H new ATOM 0 HD1 TYR A2038 -5.483 11.253 0.220 1.00 42.24 H new ATOM 0 HD2 TYR A2038 -8.217 9.786 -2.699 1.00 43.35 H new ATOM 0 HE1 TYR A2038 -4.170 12.420 -1.604 1.00 21.42 H new ATOM 0 HE2 TYR A2038 -6.893 10.956 -4.515 1.00 45.30 H new ATOM 0 HH TYR A2038 -5.194 12.186 -4.976 1.00 40.21 H new ATOM 501 N ASN A2043 -8.026 14.956 3.951 1.00 52.22 N ATOM 502 CA ASN A2043 -6.992 14.617 4.913 1.00 64.11 C ATOM 503 C ASN A2043 -6.366 13.273 4.530 1.00 61.00 C ATOM 504 O ASN A2043 -6.924 12.218 4.822 1.00 34.31 O ATOM 505 CB ASN A2043 -7.574 14.481 6.322 1.00 5.04 C ATOM 506 CG ASN A2043 -7.410 15.781 7.110 1.00 13.41 C ATOM 507 OD1 ASN A2043 -7.350 16.869 6.559 1.00 30.02 O ATOM 508 ND2 ASN A2043 -7.342 15.611 8.428 1.00 24.03 N ATOM 0 HA ASN A2043 -6.249 15.414 4.904 1.00 64.11 H new ATOM 0 HB2 ASN A2043 -8.631 14.220 6.259 1.00 5.04 H new ATOM 0 HB3 ASN A2043 -7.075 13.667 6.848 1.00 5.04 H new ATOM 0 HD21 ASN A2043 -7.233 16.419 9.041 1.00 24.03 H new ATOM 0 HD22 ASN A2043 -7.399 14.673 8.825 1.00 24.03 H new ATOM 515 N VAL A2044 -5.215 13.358 3.878 1.00 75.34 N ATOM 516 CA VAL A2044 -4.508 12.164 3.452 1.00 0.43 C ATOM 517 C VAL A2044 -3.980 11.422 4.680 1.00 15.11 C ATOM 518 O VAL A2044 -3.551 10.272 4.580 1.00 35.10 O ATOM 519 CB VAL A2044 -3.405 12.535 2.459 1.00 70.15 C ATOM 520 CG1 VAL A2044 -3.999 13.056 1.148 1.00 21.24 C ATOM 521 CG2 VAL A2044 -2.442 13.557 3.066 1.00 3.33 C ATOM 0 H VAL A2044 -4.756 14.236 3.635 1.00 75.34 H new ATOM 0 HA VAL A2044 -5.184 11.487 2.930 1.00 0.43 H new ATOM 0 HB VAL A2044 -2.839 11.631 2.235 1.00 70.15 H new ATOM 0 HG11 VAL A2044 -3.193 13.312 0.460 1.00 21.24 H new ATOM 0 HG12 VAL A2044 -4.626 12.285 0.701 1.00 21.24 H new ATOM 0 HG13 VAL A2044 -4.601 13.942 1.348 1.00 21.24 H new ATOM 0 HG21 VAL A2044 -1.668 13.803 2.340 1.00 3.33 H new ATOM 0 HG22 VAL A2044 -2.991 14.460 3.332 1.00 3.33 H new ATOM 0 HG23 VAL A2044 -1.981 13.136 3.959 1.00 3.33 H new ATOM 531 N LYS A2045 -4.026 12.108 5.813 1.00 12.41 N ATOM 532 CA LYS A2045 -3.559 11.528 7.060 1.00 54.13 C ATOM 533 C LYS A2045 -4.199 10.153 7.251 1.00 24.41 C ATOM 534 O LYS A2045 -3.555 9.228 7.744 1.00 62.52 O ATOM 535 CB LYS A2045 -3.808 12.490 8.225 1.00 70.14 C ATOM 536 CG LYS A2045 -5.302 12.589 8.541 1.00 72.15 C ATOM 537 CD LYS A2045 -5.675 11.678 9.713 1.00 32.30 C ATOM 538 CE LYS A2045 -6.470 12.445 10.773 1.00 75.04 C ATOM 539 NZ LYS A2045 -6.916 11.532 11.849 1.00 22.14 N ATOM 0 H LYS A2045 -4.380 13.061 5.893 1.00 12.41 H new ATOM 0 HA LYS A2045 -2.480 11.375 7.027 1.00 54.13 H new ATOM 0 HB2 LYS A2045 -3.267 12.147 9.107 1.00 70.14 H new ATOM 0 HB3 LYS A2045 -3.418 13.477 7.976 1.00 70.14 H new ATOM 0 HG2 LYS A2045 -5.559 13.621 8.781 1.00 72.15 H new ATOM 0 HG3 LYS A2045 -5.883 12.312 7.661 1.00 72.15 H new ATOM 0 HD2 LYS A2045 -6.264 10.836 9.350 1.00 32.30 H new ATOM 0 HD3 LYS A2045 -4.770 11.265 10.160 1.00 32.30 H new ATOM 0 HE2 LYS A2045 -5.853 13.239 11.194 1.00 75.04 H new ATOM 0 HE3 LYS A2045 -7.334 12.923 10.312 1.00 75.04 H new ATOM 0 HZ1 LYS A2045 -7.955 11.488 11.859 1.00 22.14 H new ATOM 0 HZ2 LYS A2045 -6.531 10.581 11.679 1.00 22.14 H new ATOM 0 HZ3 LYS A2045 -6.576 11.884 12.766 1.00 22.14 H new ATOM 552 N GLY A2046 -5.458 10.060 6.848 1.00 4.44 N ATOM 553 CA GLY A2046 -6.192 8.812 6.967 1.00 13.34 C ATOM 554 C GLY A2046 -5.482 7.685 6.215 1.00 62.43 C ATOM 555 O GLY A2046 -5.193 6.637 6.788 1.00 32.12 O ATOM 0 H GLY A2046 -5.988 10.829 6.439 1.00 4.44 H new ATOM 0 HA2 GLY A2046 -6.294 8.545 8.019 1.00 13.34 H new ATOM 0 HA3 GLY A2046 -7.200 8.939 6.572 1.00 13.34 H new ATOM 559 N MET A2047 -5.223 7.939 4.940 1.00 5.30 N ATOM 560 CA MET A2047 -4.553 6.958 4.103 1.00 42.35 C ATOM 561 C MET A2047 -3.226 6.518 4.725 1.00 41.25 C ATOM 562 O MET A2047 -2.883 5.338 4.695 1.00 51.14 O ATOM 563 CB MET A2047 -4.295 7.560 2.720 1.00 63.20 C ATOM 564 CG MET A2047 -3.242 6.751 1.959 1.00 61.40 C ATOM 565 SD MET A2047 -1.605 7.303 2.406 1.00 64.10 S ATOM 566 CE MET A2047 -1.769 9.051 2.089 1.00 73.23 C ATOM 0 H MET A2047 -5.465 8.810 4.467 1.00 5.30 H new ATOM 0 HA MET A2047 -5.197 6.083 4.015 1.00 42.35 H new ATOM 0 HB2 MET A2047 -5.224 7.583 2.150 1.00 63.20 H new ATOM 0 HB3 MET A2047 -3.960 8.592 2.825 1.00 63.20 H new ATOM 0 HG2 MET A2047 -3.352 5.691 2.187 1.00 61.40 H new ATOM 0 HG3 MET A2047 -3.392 6.863 0.885 1.00 61.40 H new ATOM 0 HE1 MET A2047 -0.884 9.410 1.563 1.00 73.23 H new ATOM 0 HE2 MET A2047 -2.652 9.228 1.475 1.00 73.23 H new ATOM 0 HE3 MET A2047 -1.871 9.584 3.034 1.00 73.23 H new ATOM 576 N PHE A2048 -2.518 7.493 5.276 1.00 54.10 N ATOM 577 CA PHE A2048 -1.237 7.222 5.905 1.00 34.35 C ATOM 578 C PHE A2048 -1.413 6.373 7.167 1.00 41.54 C ATOM 579 O PHE A2048 -0.613 5.479 7.434 1.00 73.23 O ATOM 580 CB PHE A2048 -0.634 8.574 6.296 1.00 42.23 C ATOM 581 CG PHE A2048 -0.048 9.356 5.118 1.00 60.25 C ATOM 582 CD1 PHE A2048 0.715 8.721 4.192 1.00 5.13 C ATOM 583 CD2 PHE A2048 -0.292 10.690 5.000 1.00 5.40 C ATOM 584 CE1 PHE A2048 1.258 9.446 3.099 1.00 14.22 C ATOM 585 CE2 PHE A2048 0.252 11.416 3.907 1.00 75.51 C ATOM 586 CZ PHE A2048 1.015 10.780 2.980 1.00 60.12 C ATOM 0 H PHE A2048 -2.807 8.471 5.300 1.00 54.10 H new ATOM 0 HA PHE A2048 -0.595 6.673 5.216 1.00 34.35 H new ATOM 0 HB2 PHE A2048 -1.404 9.179 6.774 1.00 42.23 H new ATOM 0 HB3 PHE A2048 0.149 8.411 7.037 1.00 42.23 H new ATOM 0 HD1 PHE A2048 0.909 7.663 4.287 1.00 5.13 H new ATOM 0 HD2 PHE A2048 -0.899 11.196 5.737 1.00 5.40 H new ATOM 0 HE1 PHE A2048 1.864 8.939 2.362 1.00 14.22 H new ATOM 0 HE2 PHE A2048 0.059 12.474 3.813 1.00 75.51 H new ATOM 0 HZ PHE A2048 1.428 11.333 2.149 1.00 60.12 H new ATOM 596 N GLU A2049 -2.469 6.685 7.907 1.00 14.53 N ATOM 597 CA GLU A2049 -2.760 5.963 9.133 1.00 23.43 C ATOM 598 C GLU A2049 -3.371 4.597 8.811 1.00 23.31 C ATOM 599 O GLU A2049 -3.460 3.732 9.681 1.00 74.42 O ATOM 600 CB GLU A2049 -3.683 6.776 10.043 1.00 42.40 C ATOM 601 CG GLU A2049 -3.048 8.119 10.408 1.00 61.22 C ATOM 602 CD GLU A2049 -4.102 9.103 10.920 1.00 23.13 C ATOM 603 OE1 GLU A2049 -5.297 8.934 10.635 1.00 31.55 O ATOM 604 OE2 GLU A2049 -3.641 10.069 11.639 1.00 60.50 O ATOM 0 H GLU A2049 -3.131 7.427 7.680 1.00 14.53 H new ATOM 0 HA GLU A2049 -1.824 5.804 9.669 1.00 23.43 H new ATOM 0 HB2 GLU A2049 -4.637 6.944 9.543 1.00 42.40 H new ATOM 0 HB3 GLU A2049 -3.895 6.211 10.951 1.00 42.40 H new ATOM 0 HG2 GLU A2049 -2.284 7.969 11.171 1.00 61.22 H new ATOM 0 HG3 GLU A2049 -2.548 8.538 9.535 1.00 61.22 H new ATOM 612 N VAL A2050 -3.777 4.446 7.559 1.00 55.01 N ATOM 613 CA VAL A2050 -4.377 3.200 7.112 1.00 11.03 C ATOM 614 C VAL A2050 -3.271 2.214 6.730 1.00 53.41 C ATOM 615 O VAL A2050 -3.325 1.042 7.102 1.00 25.45 O ATOM 616 CB VAL A2050 -5.355 3.473 5.968 1.00 32.03 C ATOM 617 CG1 VAL A2050 -5.702 2.182 5.223 1.00 33.44 C ATOM 618 CG2 VAL A2050 -6.620 4.166 6.482 1.00 64.11 C ATOM 0 H VAL A2050 -3.702 5.166 6.840 1.00 55.01 H new ATOM 0 HA VAL A2050 -4.955 2.744 7.916 1.00 11.03 H new ATOM 0 HB VAL A2050 -4.867 4.146 5.263 1.00 32.03 H new ATOM 0 HG11 VAL A2050 -6.399 2.404 4.415 1.00 33.44 H new ATOM 0 HG12 VAL A2050 -4.793 1.745 4.809 1.00 33.44 H new ATOM 0 HG13 VAL A2050 -6.162 1.475 5.914 1.00 33.44 H new ATOM 0 HG21 VAL A2050 -7.299 4.349 5.649 1.00 64.11 H new ATOM 0 HG22 VAL A2050 -7.111 3.528 7.217 1.00 64.11 H new ATOM 0 HG23 VAL A2050 -6.352 5.115 6.946 1.00 64.11 H new ATOM 628 N LEU A2051 -2.295 2.724 5.994 1.00 71.23 N ATOM 629 CA LEU A2051 -1.178 1.904 5.558 1.00 73.43 C ATOM 630 C LEU A2051 -0.223 1.684 6.734 1.00 23.42 C ATOM 631 O LEU A2051 0.222 0.564 6.976 1.00 62.11 O ATOM 632 CB LEU A2051 -0.507 2.519 4.329 1.00 63.04 C ATOM 633 CG LEU A2051 -1.391 2.665 3.087 1.00 21.32 C ATOM 634 CD1 LEU A2051 -2.866 2.451 3.435 1.00 53.51 C ATOM 635 CD2 LEU A2051 -1.154 4.011 2.401 1.00 14.34 C ATOM 0 H LEU A2051 -2.255 3.696 5.688 1.00 71.23 H new ATOM 0 HA LEU A2051 -1.529 0.922 5.242 1.00 73.43 H new ATOM 0 HB2 LEU A2051 -0.129 3.505 4.600 1.00 63.04 H new ATOM 0 HB3 LEU A2051 0.357 1.908 4.067 1.00 63.04 H new ATOM 0 HG LEU A2051 -1.112 1.887 2.376 1.00 21.32 H new ATOM 0 HD11 LEU A2051 -3.472 2.560 2.535 1.00 53.51 H new ATOM 0 HD12 LEU A2051 -3.002 1.450 3.844 1.00 53.51 H new ATOM 0 HD13 LEU A2051 -3.177 3.190 4.173 1.00 53.51 H new ATOM 0 HD21 LEU A2051 -1.794 4.089 1.522 1.00 14.34 H new ATOM 0 HD22 LEU A2051 -1.389 4.819 3.094 1.00 14.34 H new ATOM 0 HD23 LEU A2051 -0.110 4.086 2.097 1.00 14.34 H new ATOM 647 N GLU A2052 0.064 2.774 7.433 1.00 24.02 N ATOM 648 CA GLU A2052 0.958 2.713 8.577 1.00 51.53 C ATOM 649 C GLU A2052 0.783 1.387 9.319 1.00 14.04 C ATOM 650 O GLU A2052 1.746 0.643 9.503 1.00 14.31 O ATOM 651 CB GLU A2052 0.728 3.899 9.514 1.00 72.33 C ATOM 652 CG GLU A2052 1.888 4.895 9.435 1.00 50.23 C ATOM 653 CD GLU A2052 3.001 4.518 10.413 1.00 2.33 C ATOM 654 OE1 GLU A2052 3.423 3.352 10.453 1.00 73.21 O ATOM 655 OE2 GLU A2052 3.431 5.486 11.150 1.00 40.20 O ATOM 0 H GLU A2052 -0.306 3.702 7.229 1.00 24.02 H new ATOM 0 HA GLU A2052 1.984 2.770 8.215 1.00 51.53 H new ATOM 0 HB2 GLU A2052 -0.204 4.399 9.251 1.00 72.33 H new ATOM 0 HB3 GLU A2052 0.620 3.542 10.538 1.00 72.33 H new ATOM 0 HG2 GLU A2052 2.284 4.918 8.420 1.00 50.23 H new ATOM 0 HG3 GLU A2052 1.526 5.899 9.659 1.00 50.23 H new ATOM 663 N PRO A2053 -0.483 1.123 9.735 1.00 64.42 N ATOM 664 CA PRO A2053 -0.796 -0.102 10.452 1.00 25.40 C ATOM 665 C PRO A2053 -0.820 -1.302 9.503 1.00 62.13 C ATOM 666 O PRO A2053 -0.176 -2.317 9.763 1.00 32.54 O ATOM 667 CB PRO A2053 -2.140 0.161 11.112 1.00 25.45 C ATOM 668 CG PRO A2053 -2.746 1.339 10.368 1.00 61.33 C ATOM 669 CD PRO A2053 -1.649 1.978 9.533 1.00 55.41 C ATOM 0 HA PRO A2053 -0.044 -0.356 11.199 1.00 25.40 H new ATOM 0 HB2 PRO A2053 -2.785 -0.715 11.047 1.00 25.45 H new ATOM 0 HB3 PRO A2053 -2.017 0.389 12.171 1.00 25.45 H new ATOM 0 HG2 PRO A2053 -3.566 1.007 9.731 1.00 61.33 H new ATOM 0 HG3 PRO A2053 -3.161 2.062 11.071 1.00 61.33 H new ATOM 0 HD2 PRO A2053 -1.929 2.024 8.480 1.00 55.41 H new ATOM 0 HD3 PRO A2053 -1.451 3.000 9.855 1.00 55.41 H new ATOM 677 N LEU A2054 -1.570 -1.145 8.422 1.00 0.52 N ATOM 678 CA LEU A2054 -1.685 -2.205 7.433 1.00 60.30 C ATOM 679 C LEU A2054 -0.290 -2.709 7.065 1.00 43.33 C ATOM 680 O LEU A2054 -0.002 -3.899 7.187 1.00 73.24 O ATOM 681 CB LEU A2054 -2.504 -1.727 6.231 1.00 74.40 C ATOM 682 CG LEU A2054 -4.020 -1.662 6.435 1.00 2.53 C ATOM 683 CD1 LEU A2054 -4.691 -0.880 5.304 1.00 34.21 C ATOM 684 CD2 LEU A2054 -4.612 -3.064 6.595 1.00 63.24 C ATOM 0 H LEU A2054 -2.103 -0.302 8.209 1.00 0.52 H new ATOM 0 HA LEU A2054 -2.230 -3.054 7.846 1.00 60.30 H new ATOM 0 HB2 LEU A2054 -2.152 -0.735 5.949 1.00 74.40 H new ATOM 0 HB3 LEU A2054 -2.299 -2.389 5.390 1.00 74.40 H new ATOM 0 HG LEU A2054 -4.219 -1.122 7.361 1.00 2.53 H new ATOM 0 HD11 LEU A2054 -5.767 -0.848 5.472 1.00 34.21 H new ATOM 0 HD12 LEU A2054 -4.297 0.136 5.281 1.00 34.21 H new ATOM 0 HD13 LEU A2054 -4.487 -1.370 4.352 1.00 34.21 H new ATOM 0 HD21 LEU A2054 -5.690 -2.990 6.738 1.00 63.24 H new ATOM 0 HD22 LEU A2054 -4.405 -3.651 5.700 1.00 63.24 H new ATOM 0 HD23 LEU A2054 -4.164 -3.552 7.461 1.00 63.24 H new ATOM 696 N HIS A2055 0.543 -1.779 6.620 1.00 54.32 N ATOM 697 CA HIS A2055 1.902 -2.113 6.234 1.00 42.11 C ATOM 698 C HIS A2055 2.635 -2.740 7.421 1.00 71.30 C ATOM 699 O HIS A2055 3.199 -3.826 7.305 1.00 51.24 O ATOM 700 CB HIS A2055 2.626 -0.887 5.670 1.00 70.32 C ATOM 701 CG HIS A2055 2.150 -0.470 4.299 1.00 22.13 C ATOM 702 ND1 HIS A2055 2.352 0.801 3.792 1.00 1.42 N ATOM 703 CD2 HIS A2055 1.483 -1.169 3.335 1.00 34.54 C ATOM 704 CE1 HIS A2055 1.824 0.855 2.577 1.00 64.10 C ATOM 705 NE2 HIS A2055 1.286 -0.368 2.298 1.00 44.45 N ATOM 0 H HIS A2055 0.301 -0.793 6.518 1.00 54.32 H new ATOM 0 HA HIS A2055 1.883 -2.851 5.432 1.00 42.11 H new ATOM 0 HB2 HIS A2055 2.495 -0.052 6.358 1.00 70.32 H new ATOM 0 HB3 HIS A2055 3.694 -1.098 5.624 1.00 70.32 H new ATOM 0 HD2 HIS A2055 1.169 -2.200 3.405 1.00 34.54 H new ATOM 0 HE1 HIS A2055 1.820 1.715 1.923 1.00 64.10 H new ATOM 0 HE2 HIS A2055 0.810 -0.624 1.433 1.00 44.45 H new ATOM 714 N ALA A2056 2.600 -2.028 8.539 1.00 15.43 N ATOM 715 CA ALA A2056 3.254 -2.501 9.748 1.00 64.53 C ATOM 716 C ALA A2056 2.796 -3.930 10.044 1.00 70.34 C ATOM 717 O ALA A2056 3.614 -4.801 10.332 1.00 11.20 O ATOM 718 CB ALA A2056 2.953 -1.540 10.900 1.00 52.21 C ATOM 0 H ALA A2056 2.129 -1.128 8.633 1.00 15.43 H new ATOM 0 HA ALA A2056 4.336 -2.523 9.617 1.00 64.53 H new ATOM 0 HB1 ALA A2056 3.443 -1.894 11.807 1.00 52.21 H new ATOM 0 HB2 ALA A2056 3.325 -0.546 10.651 1.00 52.21 H new ATOM 0 HB3 ALA A2056 1.876 -1.494 11.064 1.00 52.21 H new ATOM 724 N MET A2057 1.488 -4.127 9.964 1.00 53.52 N ATOM 725 CA MET A2057 0.909 -5.435 10.222 1.00 1.21 C ATOM 726 C MET A2057 1.606 -6.513 9.389 1.00 44.11 C ATOM 727 O MET A2057 1.854 -7.615 9.876 1.00 31.43 O ATOM 728 CB MET A2057 -0.581 -5.409 9.882 1.00 25.41 C ATOM 729 CG MET A2057 -0.898 -6.373 8.734 1.00 52.41 C ATOM 730 SD MET A2057 -2.654 -6.379 8.411 1.00 30.41 S ATOM 731 CE MET A2057 -2.654 -6.906 6.706 1.00 13.05 C ATOM 0 H MET A2057 0.812 -3.402 9.724 1.00 53.52 H new ATOM 0 HA MET A2057 1.044 -5.672 11.277 1.00 1.21 H new ATOM 0 HB2 MET A2057 -1.163 -5.682 10.762 1.00 25.41 H new ATOM 0 HB3 MET A2057 -0.877 -4.397 9.605 1.00 25.41 H new ATOM 0 HG2 MET A2057 -0.356 -6.074 7.837 1.00 52.41 H new ATOM 0 HG3 MET A2057 -0.563 -7.378 8.989 1.00 52.41 H new ATOM 0 HE1 MET A2057 -3.671 -7.151 6.401 1.00 13.05 H new ATOM 0 HE2 MET A2057 -2.270 -6.103 6.077 1.00 13.05 H new ATOM 0 HE3 MET A2057 -2.020 -7.786 6.597 1.00 13.05 H new ATOM 741 N MET A2058 1.902 -6.158 8.146 1.00 32.22 N ATOM 742 CA MET A2058 2.565 -7.083 7.243 1.00 55.20 C ATOM 743 C MET A2058 4.016 -7.317 7.666 1.00 25.25 C ATOM 744 O MET A2058 4.556 -8.406 7.465 1.00 40.21 O ATOM 745 CB MET A2058 2.533 -6.518 5.822 1.00 30.13 C ATOM 746 CG MET A2058 1.106 -6.147 5.410 1.00 75.11 C ATOM 747 SD MET A2058 0.843 -6.544 3.690 1.00 11.34 S ATOM 748 CE MET A2058 -0.738 -7.363 3.799 1.00 31.31 C ATOM 0 H MET A2058 1.695 -5.244 7.744 1.00 32.22 H new ATOM 0 HA MET A2058 2.038 -8.037 7.278 1.00 55.20 H new ATOM 0 HB2 MET A2058 3.173 -5.638 5.763 1.00 30.13 H new ATOM 0 HB3 MET A2058 2.937 -7.253 5.126 1.00 30.13 H new ATOM 0 HG2 MET A2058 0.389 -6.685 6.030 1.00 75.11 H new ATOM 0 HG3 MET A2058 0.936 -5.083 5.576 1.00 75.11 H new ATOM 0 HE1 MET A2058 -0.809 -8.122 3.019 1.00 31.31 H new ATOM 0 HE2 MET A2058 -0.836 -7.836 4.776 1.00 31.31 H new ATOM 0 HE3 MET A2058 -1.536 -6.632 3.668 1.00 31.31 H new ATOM 758 N GLU A2059 4.606 -6.282 8.244 1.00 65.30 N ATOM 759 CA GLU A2059 5.985 -6.363 8.697 1.00 5.31 C ATOM 760 C GLU A2059 6.083 -7.249 9.940 1.00 3.21 C ATOM 761 O GLU A2059 6.735 -8.291 9.914 1.00 1.43 O ATOM 762 CB GLU A2059 6.555 -4.970 8.968 1.00 32.22 C ATOM 763 CG GLU A2059 6.214 -4.006 7.830 1.00 55.22 C ATOM 764 CD GLU A2059 6.298 -4.709 6.473 1.00 3.41 C ATOM 765 OE1 GLU A2059 5.322 -5.338 6.039 1.00 0.25 O ATOM 766 OE2 GLU A2059 7.429 -4.582 5.864 1.00 61.41 O ATOM 0 H GLU A2059 4.155 -5.382 8.409 1.00 65.30 H new ATOM 0 HA GLU A2059 6.582 -6.815 7.905 1.00 5.31 H new ATOM 0 HB2 GLU A2059 6.155 -4.586 9.906 1.00 32.22 H new ATOM 0 HB3 GLU A2059 7.637 -5.032 9.084 1.00 32.22 H new ATOM 0 HG2 GLU A2059 5.210 -3.607 7.975 1.00 55.22 H new ATOM 0 HG3 GLU A2059 6.900 -3.159 7.848 1.00 55.22 H new ATOM 774 N ARG A2060 5.427 -6.801 11.000 1.00 71.13 N ATOM 775 CA ARG A2060 5.432 -7.539 12.251 1.00 61.21 C ATOM 776 C ARG A2060 4.538 -8.777 12.141 1.00 14.30 C ATOM 777 O ARG A2060 4.667 -9.712 12.930 1.00 62.12 O ATOM 778 CB ARG A2060 4.942 -6.666 13.409 1.00 2.05 C ATOM 779 CG ARG A2060 3.475 -6.277 13.220 1.00 30.45 C ATOM 780 CD ARG A2060 3.010 -5.341 14.336 1.00 50.05 C ATOM 781 NE ARG A2060 1.605 -4.931 14.100 1.00 22.35 N ATOM 782 CZ ARG A2060 0.896 -4.145 14.937 1.00 20.31 C ATOM 783 NH1 ARG A2060 1.453 -3.676 16.074 1.00 22.12 N ATOM 784 NH2 ARG A2060 -0.352 -3.843 14.627 1.00 72.04 N ATOM 0 H ARG A2060 4.888 -5.935 11.018 1.00 71.13 H new ATOM 0 HA ARG A2060 6.459 -7.844 12.451 1.00 61.21 H new ATOM 0 HB2 ARG A2060 5.061 -7.203 14.350 1.00 2.05 H new ATOM 0 HB3 ARG A2060 5.555 -5.767 13.476 1.00 2.05 H new ATOM 0 HG2 ARG A2060 3.346 -5.790 12.254 1.00 30.45 H new ATOM 0 HG3 ARG A2060 2.855 -7.174 13.210 1.00 30.45 H new ATOM 0 HD2 ARG A2060 3.095 -5.841 15.301 1.00 50.05 H new ATOM 0 HD3 ARG A2060 3.653 -4.461 14.376 1.00 50.05 H new ATOM 0 HE ARG A2060 1.146 -5.264 13.252 1.00 22.35 H new ATOM 0 HH11 ARG A2060 2.417 -3.915 16.306 1.00 22.12 H new ATOM 0 HH12 ARG A2060 0.910 -3.082 16.701 1.00 22.12 H new ATOM 0 HH21 ARG A2060 -0.765 -4.203 13.767 1.00 72.04 H new ATOM 0 HH22 ARG A2060 -0.903 -3.250 15.248 1.00 72.04 H new ATOM 796 N GLY A2061 3.651 -8.741 11.158 1.00 1.23 N ATOM 797 CA GLY A2061 2.736 -9.847 10.935 1.00 44.42 C ATOM 798 C GLY A2061 2.991 -10.505 9.578 1.00 52.12 C ATOM 799 O GLY A2061 2.289 -10.226 8.607 1.00 3.54 O ATOM 0 H GLY A2061 3.546 -7.963 10.507 1.00 1.23 H new ATOM 0 HA2 GLY A2061 2.852 -10.585 11.729 1.00 44.42 H new ATOM 0 HA3 GLY A2061 1.708 -9.488 10.982 1.00 44.42 H new ATOM 803 N PRO A2062 4.024 -11.388 9.552 1.00 35.11 N ATOM 804 CA PRO A2062 4.382 -12.088 8.331 1.00 62.34 C ATOM 805 C PRO A2062 3.379 -13.201 8.023 1.00 23.10 C ATOM 806 O PRO A2062 2.263 -13.197 8.542 1.00 61.12 O ATOM 807 CB PRO A2062 5.790 -12.608 8.571 1.00 42.21 C ATOM 808 CG PRO A2062 5.990 -12.583 10.078 1.00 11.11 C ATOM 809 CD PRO A2062 4.878 -11.743 10.682 1.00 33.35 C ATOM 0 HA PRO A2062 4.356 -11.441 7.454 1.00 62.34 H new ATOM 0 HB2 PRO A2062 5.906 -13.618 8.178 1.00 42.21 H new ATOM 0 HB3 PRO A2062 6.528 -11.983 8.068 1.00 42.21 H new ATOM 0 HG2 PRO A2062 5.967 -13.595 10.483 1.00 11.11 H new ATOM 0 HG3 PRO A2062 6.964 -12.162 10.327 1.00 11.11 H new ATOM 0 HD2 PRO A2062 4.324 -12.303 11.436 1.00 33.35 H new ATOM 0 HD3 PRO A2062 5.275 -10.854 11.172 1.00 33.35 H new ATOM 817 N GLN A2063 3.810 -14.128 7.181 1.00 13.32 N ATOM 818 CA GLN A2063 2.965 -15.245 6.797 1.00 72.25 C ATOM 819 C GLN A2063 3.799 -16.519 6.655 1.00 65.15 C ATOM 820 O GLN A2063 3.747 -17.399 7.515 1.00 43.40 O ATOM 821 CB GLN A2063 2.205 -14.939 5.505 1.00 70.13 C ATOM 822 CG GLN A2063 1.242 -16.075 5.154 1.00 45.13 C ATOM 823 CD GLN A2063 -0.198 -15.706 5.520 1.00 44.05 C ATOM 824 OE1 GLN A2063 -0.615 -14.562 5.431 1.00 30.42 O ATOM 825 NE2 GLN A2063 -0.932 -16.735 5.935 1.00 21.04 N ATOM 0 H GLN A2063 4.736 -14.128 6.753 1.00 13.32 H new ATOM 0 HA GLN A2063 2.228 -15.404 7.584 1.00 72.25 H new ATOM 0 HB2 GLN A2063 1.649 -14.008 5.617 1.00 70.13 H new ATOM 0 HB3 GLN A2063 2.912 -14.792 4.689 1.00 70.13 H new ATOM 0 HG2 GLN A2063 1.305 -16.294 4.088 1.00 45.13 H new ATOM 0 HG3 GLN A2063 1.535 -16.982 5.684 1.00 45.13 H new ATOM 0 HE21 GLN A2063 -0.521 -17.667 5.986 1.00 21.04 H new ATOM 0 HE22 GLN A2063 -1.906 -16.592 6.202 1.00 21.04 H new ATOM 834 N THR A2064 4.548 -16.579 5.564 1.00 34.44 N ATOM 835 CA THR A2064 5.393 -17.731 5.299 1.00 32.50 C ATOM 836 C THR A2064 6.422 -17.399 4.217 1.00 23.34 C ATOM 837 O THR A2064 6.274 -16.415 3.494 1.00 61.41 O ATOM 838 CB THR A2064 4.486 -18.908 4.935 1.00 12.12 C ATOM 839 OG1 THR A2064 5.326 -19.773 4.176 1.00 73.12 O ATOM 840 CG2 THR A2064 3.377 -18.513 3.958 1.00 41.40 C ATOM 0 H THR A2064 4.587 -15.849 4.853 1.00 34.44 H new ATOM 0 HA THR A2064 5.972 -18.009 6.180 1.00 32.50 H new ATOM 0 HB THR A2064 4.041 -19.317 5.842 1.00 12.12 H new ATOM 0 HG1 THR A2064 4.817 -20.564 3.901 1.00 73.12 H new ATOM 0 HG21 THR A2064 2.763 -19.385 3.733 1.00 41.40 H new ATOM 0 HG22 THR A2064 2.756 -17.738 4.407 1.00 41.40 H new ATOM 0 HG23 THR A2064 3.821 -18.135 3.037 1.00 41.40 H new ATOM 848 N LEU A2065 7.442 -18.241 4.139 1.00 14.43 N ATOM 849 CA LEU A2065 8.496 -18.050 3.156 1.00 53.03 C ATOM 850 C LEU A2065 7.871 -17.868 1.773 1.00 41.33 C ATOM 851 O LEU A2065 8.450 -17.216 0.906 1.00 12.24 O ATOM 852 CB LEU A2065 9.509 -19.195 3.227 1.00 3.42 C ATOM 853 CG LEU A2065 10.892 -18.835 3.775 1.00 73.40 C ATOM 854 CD1 LEU A2065 11.483 -17.639 3.025 1.00 34.14 C ATOM 855 CD2 LEU A2065 10.837 -18.594 5.286 1.00 51.12 C ATOM 0 H LEU A2065 7.561 -19.057 4.740 1.00 14.43 H new ATOM 0 HA LEU A2065 9.059 -17.142 3.374 1.00 53.03 H new ATOM 0 HB2 LEU A2065 9.089 -19.987 3.847 1.00 3.42 H new ATOM 0 HB3 LEU A2065 9.633 -19.607 2.225 1.00 3.42 H new ATOM 0 HG LEU A2065 11.558 -19.682 3.608 1.00 73.40 H new ATOM 0 HD11 LEU A2065 12.466 -17.403 3.433 1.00 34.14 H new ATOM 0 HD12 LEU A2065 11.579 -17.884 1.967 1.00 34.14 H new ATOM 0 HD13 LEU A2065 10.826 -16.777 3.140 1.00 34.14 H new ATOM 0 HD21 LEU A2065 11.832 -18.340 5.650 1.00 51.12 H new ATOM 0 HD22 LEU A2065 10.152 -17.773 5.499 1.00 51.12 H new ATOM 0 HD23 LEU A2065 10.487 -19.497 5.786 1.00 51.12 H new ATOM 867 N LYS A2066 6.694 -18.457 1.607 1.00 1.45 N ATOM 868 CA LYS A2066 5.984 -18.368 0.343 1.00 43.43 C ATOM 869 C LYS A2066 5.437 -16.949 0.169 1.00 40.21 C ATOM 870 O LYS A2066 5.539 -16.368 -0.910 1.00 31.15 O ATOM 871 CB LYS A2066 4.912 -19.456 0.253 1.00 65.51 C ATOM 872 CG LYS A2066 4.279 -19.487 -1.139 1.00 3.42 C ATOM 873 CD LYS A2066 4.729 -20.727 -1.918 1.00 52.30 C ATOM 874 CE LYS A2066 6.170 -20.573 -2.407 1.00 52.45 C ATOM 875 NZ LYS A2066 6.305 -21.083 -3.789 1.00 40.53 N ATOM 0 H LYS A2066 6.215 -18.997 2.328 1.00 1.45 H new ATOM 0 HA LYS A2066 6.663 -18.553 -0.489 1.00 43.43 H new ATOM 0 HB2 LYS A2066 5.354 -20.427 0.477 1.00 65.51 H new ATOM 0 HB3 LYS A2066 4.142 -19.276 1.003 1.00 65.51 H new ATOM 0 HG2 LYS A2066 3.193 -19.484 -1.049 1.00 3.42 H new ATOM 0 HG3 LYS A2066 4.556 -18.587 -1.689 1.00 3.42 H new ATOM 0 HD2 LYS A2066 4.649 -21.609 -1.283 1.00 52.30 H new ATOM 0 HD3 LYS A2066 4.067 -20.886 -2.769 1.00 52.30 H new ATOM 0 HE2 LYS A2066 6.463 -19.524 -2.370 1.00 52.45 H new ATOM 0 HE3 LYS A2066 6.845 -21.116 -1.745 1.00 52.45 H new ATOM 0 HZ1 LYS A2066 7.289 -20.971 -4.106 1.00 40.53 H new ATOM 0 HZ2 LYS A2066 6.045 -22.090 -3.814 1.00 40.53 H new ATOM 0 HZ3 LYS A2066 5.675 -20.547 -4.420 1.00 40.53 H new ATOM 888 N GLU A2067 4.868 -16.433 1.249 1.00 62.02 N ATOM 889 CA GLU A2067 4.304 -15.094 1.230 1.00 10.42 C ATOM 890 C GLU A2067 5.414 -14.049 1.356 1.00 44.23 C ATOM 891 O GLU A2067 5.220 -12.886 1.005 1.00 35.21 O ATOM 892 CB GLU A2067 3.261 -14.922 2.335 1.00 64.14 C ATOM 893 CG GLU A2067 1.859 -14.752 1.745 1.00 63.31 C ATOM 894 CD GLU A2067 1.379 -13.306 1.878 1.00 43.40 C ATOM 895 OE1 GLU A2067 0.710 -12.963 2.863 1.00 72.30 O ATOM 896 OE2 GLU A2067 1.728 -12.526 0.910 1.00 35.22 O ATOM 0 H GLU A2067 4.786 -16.918 2.142 1.00 62.02 H new ATOM 0 HA GLU A2067 3.800 -14.947 0.275 1.00 10.42 H new ATOM 0 HB2 GLU A2067 3.279 -15.789 2.995 1.00 64.14 H new ATOM 0 HB3 GLU A2067 3.511 -14.053 2.944 1.00 64.14 H new ATOM 0 HG2 GLU A2067 1.865 -15.041 0.694 1.00 63.31 H new ATOM 0 HG3 GLU A2067 1.163 -15.418 2.255 1.00 63.31 H new ATOM 904 N THR A2068 6.555 -14.501 1.858 1.00 10.41 N ATOM 905 CA THR A2068 7.697 -13.620 2.034 1.00 72.53 C ATOM 906 C THR A2068 8.037 -12.919 0.718 1.00 53.21 C ATOM 907 O THR A2068 8.591 -11.820 0.721 1.00 10.23 O ATOM 908 CB THR A2068 8.850 -14.450 2.598 1.00 74.12 C ATOM 909 OG1 THR A2068 8.556 -14.555 3.989 1.00 4.20 O ATOM 910 CG2 THR A2068 10.184 -13.701 2.556 1.00 21.14 C ATOM 0 H THR A2068 6.712 -15.466 2.148 1.00 10.41 H new ATOM 0 HA THR A2068 7.477 -12.821 2.742 1.00 72.53 H new ATOM 0 HB THR A2068 8.936 -15.380 2.036 1.00 74.12 H new ATOM 0 HG1 THR A2068 7.750 -15.099 4.113 1.00 4.20 H new ATOM 0 HG21 THR A2068 10.970 -14.334 2.968 1.00 21.14 H new ATOM 0 HG22 THR A2068 10.426 -13.447 1.524 1.00 21.14 H new ATOM 0 HG23 THR A2068 10.107 -12.788 3.146 1.00 21.14 H new ATOM 918 N SER A2069 7.692 -13.582 -0.376 1.00 35.13 N ATOM 919 CA SER A2069 7.955 -13.036 -1.696 1.00 43.10 C ATOM 920 C SER A2069 7.076 -11.807 -1.939 1.00 62.20 C ATOM 921 O SER A2069 7.506 -10.850 -2.581 1.00 44.24 O ATOM 922 CB SER A2069 7.715 -14.085 -2.784 1.00 5.13 C ATOM 923 OG SER A2069 8.812 -14.177 -3.689 1.00 34.13 O ATOM 0 H SER A2069 7.232 -14.493 -0.375 1.00 35.13 H new ATOM 0 HA SER A2069 9.003 -12.739 -1.741 1.00 43.10 H new ATOM 0 HB2 SER A2069 7.546 -15.057 -2.320 1.00 5.13 H new ATOM 0 HB3 SER A2069 6.810 -13.834 -3.336 1.00 5.13 H new ATOM 0 HG SER A2069 8.621 -14.858 -4.367 1.00 34.13 H new ATOM 929 N PHE A2070 5.861 -11.875 -1.416 1.00 35.52 N ATOM 930 CA PHE A2070 4.917 -10.783 -1.567 1.00 53.42 C ATOM 931 C PHE A2070 5.406 -9.530 -0.835 1.00 43.31 C ATOM 932 O PHE A2070 5.492 -8.455 -1.428 1.00 73.13 O ATOM 933 CB PHE A2070 3.598 -11.239 -0.944 1.00 31.31 C ATOM 934 CG PHE A2070 2.489 -10.185 -0.988 1.00 71.40 C ATOM 935 CD1 PHE A2070 2.366 -9.286 0.025 1.00 23.24 C ATOM 936 CD2 PHE A2070 1.630 -10.147 -2.041 1.00 65.02 C ATOM 937 CE1 PHE A2070 1.337 -8.308 -0.016 1.00 14.13 C ATOM 938 CE2 PHE A2070 0.601 -9.167 -2.081 1.00 1.24 C ATOM 939 CZ PHE A2070 0.477 -8.269 -1.068 1.00 12.14 C ATOM 0 H PHE A2070 5.509 -12.672 -0.886 1.00 35.52 H new ATOM 0 HA PHE A2070 4.803 -10.535 -2.622 1.00 53.42 H new ATOM 0 HB2 PHE A2070 3.254 -12.134 -1.462 1.00 31.31 H new ATOM 0 HB3 PHE A2070 3.777 -11.520 0.094 1.00 31.31 H new ATOM 0 HD1 PHE A2070 3.050 -9.316 0.860 1.00 23.24 H new ATOM 0 HD2 PHE A2070 1.729 -10.860 -2.846 1.00 65.02 H new ATOM 0 HE1 PHE A2070 1.238 -7.595 0.789 1.00 14.13 H new ATOM 0 HE2 PHE A2070 -0.083 -9.136 -2.917 1.00 1.24 H new ATOM 0 HZ PHE A2070 -0.305 -7.525 -1.099 1.00 12.14 H new ATOM 949 N ASN A2071 5.715 -9.711 0.439 1.00 43.10 N ATOM 950 CA ASN A2071 6.194 -8.610 1.257 1.00 32.45 C ATOM 951 C ASN A2071 7.537 -8.121 0.712 1.00 0.51 C ATOM 952 O ASN A2071 7.879 -6.948 0.854 1.00 61.52 O ATOM 953 CB ASN A2071 6.405 -9.053 2.707 1.00 53.21 C ATOM 954 CG ASN A2071 6.396 -7.851 3.654 1.00 55.44 C ATOM 955 OD1 ASN A2071 5.848 -6.801 3.362 1.00 23.41 O ATOM 956 ND2 ASN A2071 7.035 -8.060 4.801 1.00 22.33 N ATOM 0 H ASN A2071 5.643 -10.604 0.926 1.00 43.10 H new ATOM 0 HA ASN A2071 5.446 -7.817 1.227 1.00 32.45 H new ATOM 0 HB2 ASN A2071 5.621 -9.753 2.995 1.00 53.21 H new ATOM 0 HB3 ASN A2071 7.354 -9.583 2.795 1.00 53.21 H new ATOM 0 HD21 ASN A2071 7.087 -7.317 5.498 1.00 22.33 H new ATOM 0 HD22 ASN A2071 7.473 -8.963 4.984 1.00 22.33 H new ATOM 963 N GLN A2072 8.262 -9.046 0.100 1.00 54.15 N ATOM 964 CA GLN A2072 9.561 -8.723 -0.467 1.00 64.44 C ATOM 965 C GLN A2072 9.392 -8.012 -1.811 1.00 53.31 C ATOM 966 O GLN A2072 9.957 -6.942 -2.026 1.00 55.34 O ATOM 967 CB GLN A2072 10.421 -9.980 -0.618 1.00 52.35 C ATOM 968 CG GLN A2072 11.222 -10.251 0.659 1.00 4.40 C ATOM 969 CD GLN A2072 12.585 -10.865 0.328 1.00 22.03 C ATOM 970 OE1 GLN A2072 12.691 -11.980 -0.155 1.00 43.44 O ATOM 971 NE2 GLN A2072 13.618 -10.077 0.616 1.00 62.44 N ATOM 0 H GLN A2072 7.975 -10.018 -0.016 1.00 54.15 H new ATOM 0 HA GLN A2072 10.076 -8.049 0.217 1.00 64.44 H new ATOM 0 HB2 GLN A2072 9.785 -10.836 -0.841 1.00 52.35 H new ATOM 0 HB3 GLN A2072 11.102 -9.861 -1.461 1.00 52.35 H new ATOM 0 HG2 GLN A2072 11.362 -9.321 1.210 1.00 4.40 H new ATOM 0 HG3 GLN A2072 10.663 -10.925 1.308 1.00 4.40 H new ATOM 0 HE21 GLN A2072 13.458 -9.154 1.019 1.00 62.44 H new ATOM 0 HE22 GLN A2072 14.569 -10.396 0.433 1.00 62.44 H new ATOM 980 N ALA A2073 8.608 -8.636 -2.680 1.00 50.11 N ATOM 981 CA ALA A2073 8.358 -8.075 -3.997 1.00 74.55 C ATOM 982 C ALA A2073 8.112 -6.570 -3.868 1.00 40.51 C ATOM 983 O ALA A2073 8.714 -5.775 -4.589 1.00 20.53 O ATOM 984 CB ALA A2073 7.180 -8.805 -4.645 1.00 33.22 C ATOM 0 H ALA A2073 8.139 -9.523 -2.497 1.00 50.11 H new ATOM 0 HA ALA A2073 9.224 -8.212 -4.644 1.00 74.55 H new ATOM 0 HB1 ALA A2073 6.991 -8.385 -5.633 1.00 33.22 H new ATOM 0 HB2 ALA A2073 7.416 -9.865 -4.740 1.00 33.22 H new ATOM 0 HB3 ALA A2073 6.292 -8.686 -4.024 1.00 33.22 H new ATOM 990 N TYR A2074 7.228 -6.224 -2.943 1.00 24.31 N ATOM 991 CA TYR A2074 6.896 -4.830 -2.711 1.00 71.11 C ATOM 992 C TYR A2074 7.712 -4.258 -1.550 1.00 21.51 C ATOM 993 O TYR A2074 7.771 -3.043 -1.368 1.00 14.23 O ATOM 994 CB TYR A2074 5.413 -4.806 -2.336 1.00 44.20 C ATOM 995 CG TYR A2074 4.509 -5.542 -3.329 1.00 20.24 C ATOM 996 CD1 TYR A2074 4.628 -5.298 -4.681 1.00 62.43 C ATOM 997 CD2 TYR A2074 3.575 -6.448 -2.871 1.00 14.52 C ATOM 998 CE1 TYR A2074 3.777 -5.990 -5.615 1.00 73.02 C ATOM 999 CE2 TYR A2074 2.725 -7.140 -3.803 1.00 72.14 C ATOM 1000 CZ TYR A2074 2.868 -6.876 -5.130 1.00 24.54 C ATOM 1001 OH TYR A2074 2.064 -7.530 -6.011 1.00 64.01 O ATOM 0 H TYR A2074 6.732 -6.886 -2.346 1.00 24.31 H new ATOM 0 HA TYR A2074 7.113 -4.232 -3.596 1.00 71.11 H new ATOM 0 HB2 TYR A2074 5.291 -5.252 -1.349 1.00 44.20 H new ATOM 0 HB3 TYR A2074 5.084 -3.769 -2.260 1.00 44.20 H new ATOM 0 HD1 TYR A2074 5.359 -4.588 -5.040 1.00 62.43 H new ATOM 0 HD2 TYR A2074 3.482 -6.638 -1.812 1.00 14.52 H new ATOM 0 HE1 TYR A2074 3.860 -5.809 -6.676 1.00 73.02 H new ATOM 0 HE2 TYR A2074 1.991 -7.852 -3.457 1.00 72.14 H new ATOM 0 HH TYR A2074 1.465 -8.132 -5.522 1.00 64.01 H new ATOM 1011 N GLY A2075 8.320 -5.162 -0.794 1.00 12.20 N ATOM 1012 CA GLY A2075 9.129 -4.763 0.343 1.00 13.42 C ATOM 1013 C GLY A2075 9.958 -3.517 0.018 1.00 45.20 C ATOM 1014 O GLY A2075 10.104 -2.628 0.855 1.00 75.00 O ATOM 0 H GLY A2075 8.268 -6.169 -0.948 1.00 12.20 H new ATOM 0 HA2 GLY A2075 8.485 -4.562 1.199 1.00 13.42 H new ATOM 0 HA3 GLY A2075 9.791 -5.581 0.627 1.00 13.42 H new ATOM 1018 N ARG A2076 10.478 -3.495 -1.199 1.00 41.50 N ATOM 1019 CA ARG A2076 11.289 -2.373 -1.647 1.00 75.04 C ATOM 1020 C ARG A2076 10.394 -1.200 -2.051 1.00 63.11 C ATOM 1021 O ARG A2076 10.573 -0.082 -1.570 1.00 34.11 O ATOM 1022 CB ARG A2076 12.169 -2.767 -2.834 1.00 70.01 C ATOM 1023 CG ARG A2076 13.050 -1.597 -3.276 1.00 72.01 C ATOM 1024 CD ARG A2076 12.491 -0.935 -4.536 1.00 72.12 C ATOM 1025 NE ARG A2076 12.894 -1.704 -5.734 1.00 54.42 N ATOM 1026 CZ ARG A2076 12.264 -1.635 -6.926 1.00 3.43 C ATOM 1027 NH1 ARG A2076 11.193 -0.830 -7.089 1.00 31.24 N ATOM 1028 NH2 ARG A2076 12.711 -2.367 -7.929 1.00 71.10 N ATOM 0 H ARG A2076 10.355 -4.235 -1.890 1.00 41.50 H new ATOM 0 HA ARG A2076 11.931 -2.076 -0.818 1.00 75.04 H new ATOM 0 HB2 ARG A2076 12.796 -3.616 -2.561 1.00 70.01 H new ATOM 0 HB3 ARG A2076 11.542 -3.089 -3.665 1.00 70.01 H new ATOM 0 HG2 ARG A2076 13.115 -0.862 -2.473 1.00 72.01 H new ATOM 0 HG3 ARG A2076 14.063 -1.952 -3.466 1.00 72.01 H new ATOM 0 HD2 ARG A2076 11.404 -0.882 -4.477 1.00 72.12 H new ATOM 0 HD3 ARG A2076 12.857 0.089 -4.611 1.00 72.12 H new ATOM 0 HE ARG A2076 13.699 -2.326 -5.654 1.00 54.42 H new ATOM 0 HH11 ARG A2076 10.854 -0.268 -6.308 1.00 31.24 H new ATOM 0 HH12 ARG A2076 10.723 -0.784 -7.993 1.00 31.24 H new ATOM 0 HH21 ARG A2076 13.521 -2.973 -7.797 1.00 71.10 H new ATOM 0 HH22 ARG A2076 12.247 -2.327 -8.836 1.00 71.10 H new ATOM 1040 N ASP A2077 9.448 -1.494 -2.932 1.00 2.24 N ATOM 1041 CA ASP A2077 8.525 -0.479 -3.408 1.00 31.32 C ATOM 1042 C ASP A2077 7.898 0.235 -2.208 1.00 64.21 C ATOM 1043 O ASP A2077 7.964 1.458 -2.104 1.00 52.34 O ATOM 1044 CB ASP A2077 7.396 -1.101 -4.231 1.00 44.25 C ATOM 1045 CG ASP A2077 7.833 -1.730 -5.556 1.00 24.22 C ATOM 1046 OD1 ASP A2077 8.301 -2.878 -5.596 1.00 75.32 O ATOM 1047 OD2 ASP A2077 7.676 -0.978 -6.594 1.00 34.20 O ATOM 0 H ASP A2077 9.302 -2.422 -3.328 1.00 2.24 H new ATOM 0 HA ASP A2077 9.083 0.218 -4.033 1.00 31.32 H new ATOM 0 HB2 ASP A2077 6.905 -1.865 -3.628 1.00 44.25 H new ATOM 0 HB3 ASP A2077 6.652 -0.332 -4.439 1.00 44.25 H new ATOM 1053 N LEU A2078 7.301 -0.561 -1.333 1.00 23.22 N ATOM 1054 CA LEU A2078 6.661 -0.022 -0.145 1.00 52.40 C ATOM 1055 C LEU A2078 7.651 0.877 0.598 1.00 42.55 C ATOM 1056 O LEU A2078 7.267 1.907 1.149 1.00 60.41 O ATOM 1057 CB LEU A2078 6.090 -1.149 0.714 1.00 65.35 C ATOM 1058 CG LEU A2078 4.922 -1.929 0.108 1.00 63.14 C ATOM 1059 CD1 LEU A2078 4.336 -2.917 1.120 1.00 44.41 C ATOM 1060 CD2 LEU A2078 3.858 -0.979 -0.447 1.00 24.52 C ATOM 0 H LEU A2078 7.247 -1.576 -1.423 1.00 23.22 H new ATOM 0 HA LEU A2078 5.809 0.600 -0.420 1.00 52.40 H new ATOM 0 HB2 LEU A2078 6.893 -1.851 0.937 1.00 65.35 H new ATOM 0 HB3 LEU A2078 5.764 -0.725 1.664 1.00 65.35 H new ATOM 0 HG LEU A2078 5.301 -2.514 -0.730 1.00 63.14 H new ATOM 0 HD11 LEU A2078 3.507 -3.458 0.663 1.00 44.41 H new ATOM 0 HD12 LEU A2078 5.107 -3.625 1.426 1.00 44.41 H new ATOM 0 HD13 LEU A2078 3.976 -2.373 1.993 1.00 44.41 H new ATOM 0 HD21 LEU A2078 3.039 -1.559 -0.872 1.00 24.52 H new ATOM 0 HD22 LEU A2078 3.478 -0.349 0.357 1.00 24.52 H new ATOM 0 HD23 LEU A2078 4.299 -0.352 -1.222 1.00 24.52 H new ATOM 1072 N MET A2079 8.906 0.453 0.590 1.00 53.33 N ATOM 1073 CA MET A2079 9.955 1.207 1.257 1.00 24.41 C ATOM 1074 C MET A2079 10.104 2.601 0.644 1.00 25.30 C ATOM 1075 O MET A2079 10.163 3.596 1.365 1.00 43.21 O ATOM 1076 CB MET A2079 11.281 0.454 1.136 1.00 24.53 C ATOM 1077 CG MET A2079 12.138 0.649 2.388 1.00 73.13 C ATOM 1078 SD MET A2079 13.779 1.175 1.928 1.00 14.32 S ATOM 1079 CE MET A2079 13.408 2.772 1.226 1.00 44.45 C ATOM 0 H MET A2079 9.221 -0.403 0.133 1.00 53.33 H new ATOM 0 HA MET A2079 9.684 1.319 2.307 1.00 24.41 H new ATOM 0 HB2 MET A2079 11.088 -0.608 0.985 1.00 24.53 H new ATOM 0 HB3 MET A2079 11.825 0.807 0.260 1.00 24.53 H new ATOM 0 HG2 MET A2079 11.679 1.391 3.041 1.00 73.13 H new ATOM 0 HG3 MET A2079 12.190 -0.283 2.952 1.00 73.13 H new ATOM 0 HE1 MET A2079 14.307 3.389 1.229 1.00 44.45 H new ATOM 0 HE2 MET A2079 13.058 2.647 0.201 1.00 44.45 H new ATOM 0 HE3 MET A2079 12.632 3.258 1.818 1.00 44.45 H new ATOM 1089 N GLU A2080 10.156 2.628 -0.679 1.00 62.02 N ATOM 1090 CA GLU A2080 10.294 3.885 -1.397 1.00 3.13 C ATOM 1091 C GLU A2080 9.088 4.784 -1.130 1.00 52.14 C ATOM 1092 O GLU A2080 9.244 5.934 -0.721 1.00 15.50 O ATOM 1093 CB GLU A2080 10.477 3.642 -2.898 1.00 24.52 C ATOM 1094 CG GLU A2080 10.616 4.964 -3.653 1.00 52.00 C ATOM 1095 CD GLU A2080 11.405 4.773 -4.950 1.00 41.13 C ATOM 1096 OE1 GLU A2080 12.130 3.778 -5.094 1.00 15.23 O ATOM 1097 OE2 GLU A2080 11.241 5.703 -5.829 1.00 10.50 O ATOM 0 H GLU A2080 10.105 1.801 -1.273 1.00 62.02 H new ATOM 0 HA GLU A2080 11.187 4.393 -1.033 1.00 3.13 H new ATOM 0 HB2 GLU A2080 11.362 3.028 -3.066 1.00 24.52 H new ATOM 0 HB3 GLU A2080 9.625 3.085 -3.287 1.00 24.52 H new ATOM 0 HG2 GLU A2080 9.627 5.363 -3.880 1.00 52.00 H new ATOM 0 HG3 GLU A2080 11.119 5.697 -3.022 1.00 52.00 H new ATOM 1105 N ALA A2081 7.910 4.230 -1.372 1.00 22.53 N ATOM 1106 CA ALA A2081 6.677 4.969 -1.163 1.00 20.41 C ATOM 1107 C ALA A2081 6.657 5.527 0.262 1.00 1.51 C ATOM 1108 O ALA A2081 6.215 6.652 0.486 1.00 44.54 O ATOM 1109 CB ALA A2081 5.481 4.058 -1.448 1.00 23.20 C ATOM 0 H ALA A2081 7.783 3.277 -1.711 1.00 22.53 H new ATOM 0 HA ALA A2081 6.615 5.814 -1.849 1.00 20.41 H new ATOM 0 HB1 ALA A2081 4.556 4.612 -1.291 1.00 23.20 H new ATOM 0 HB2 ALA A2081 5.526 3.711 -2.480 1.00 23.20 H new ATOM 0 HB3 ALA A2081 5.508 3.200 -0.776 1.00 23.20 H new ATOM 1115 N GLN A2082 7.142 4.713 1.188 1.00 74.21 N ATOM 1116 CA GLN A2082 7.187 5.112 2.585 1.00 64.50 C ATOM 1117 C GLN A2082 8.109 6.319 2.764 1.00 10.42 C ATOM 1118 O GLN A2082 7.805 7.230 3.532 1.00 42.14 O ATOM 1119 CB GLN A2082 7.627 3.947 3.473 1.00 34.12 C ATOM 1120 CG GLN A2082 7.608 4.347 4.951 1.00 23.12 C ATOM 1121 CD GLN A2082 6.337 3.843 5.639 1.00 42.22 C ATOM 1122 OE1 GLN A2082 5.226 4.216 5.297 1.00 12.14 O ATOM 1123 NE2 GLN A2082 6.562 2.979 6.623 1.00 32.41 N ATOM 0 H GLN A2082 7.507 3.780 0.999 1.00 74.21 H new ATOM 0 HA GLN A2082 6.182 5.401 2.893 1.00 64.50 H new ATOM 0 HB2 GLN A2082 6.966 3.095 3.315 1.00 34.12 H new ATOM 0 HB3 GLN A2082 8.631 3.629 3.191 1.00 34.12 H new ATOM 0 HG2 GLN A2082 8.485 3.938 5.453 1.00 23.12 H new ATOM 0 HG3 GLN A2082 7.668 5.432 5.039 1.00 23.12 H new ATOM 0 HE21 GLN A2082 7.518 2.710 6.857 1.00 32.41 H new ATOM 0 HE22 GLN A2082 5.779 2.585 7.144 1.00 32.41 H new ATOM 1132 N GLU A2083 9.220 6.286 2.042 1.00 3.31 N ATOM 1133 CA GLU A2083 10.190 7.365 2.111 1.00 75.20 C ATOM 1134 C GLU A2083 9.562 8.676 1.632 1.00 24.23 C ATOM 1135 O GLU A2083 9.811 9.734 2.203 1.00 33.31 O ATOM 1136 CB GLU A2083 11.443 7.030 1.299 1.00 52.14 C ATOM 1137 CG GLU A2083 11.694 8.082 0.218 1.00 5.22 C ATOM 1138 CD GLU A2083 12.949 7.747 -0.593 1.00 75.22 C ATOM 1139 OE1 GLU A2083 13.456 6.619 -0.510 1.00 45.22 O ATOM 1140 OE2 GLU A2083 13.396 8.709 -1.326 1.00 3.14 O ATOM 0 H GLU A2083 9.470 5.528 1.406 1.00 3.31 H new ATOM 0 HA GLU A2083 10.493 7.488 3.151 1.00 75.20 H new ATOM 0 HB2 GLU A2083 12.306 6.972 1.963 1.00 52.14 H new ATOM 0 HB3 GLU A2083 11.330 6.049 0.837 1.00 52.14 H new ATOM 0 HG2 GLU A2083 10.832 8.139 -0.446 1.00 5.22 H new ATOM 0 HG3 GLU A2083 11.806 9.063 0.679 1.00 5.22 H new ATOM 1148 N TRP A2084 8.757 8.560 0.586 1.00 41.34 N ATOM 1149 CA TRP A2084 8.090 9.722 0.023 1.00 3.42 C ATOM 1150 C TRP A2084 7.010 10.173 1.009 1.00 23.41 C ATOM 1151 O TRP A2084 6.709 11.361 1.106 1.00 74.15 O ATOM 1152 CB TRP A2084 7.537 9.417 -1.370 1.00 23.50 C ATOM 1153 CG TRP A2084 8.611 9.104 -2.413 1.00 53.42 C ATOM 1154 CD1 TRP A2084 9.000 7.904 -2.864 1.00 1.34 C ATOM 1155 CD2 TRP A2084 9.427 10.063 -3.121 1.00 71.33 C ATOM 1156 NE1 TRP A2084 10.002 8.018 -3.806 1.00 1.41 N ATOM 1157 CE2 TRP A2084 10.270 9.372 -3.968 1.00 44.14 C ATOM 1158 CE3 TRP A2084 9.451 11.466 -3.049 1.00 73.11 C ATOM 1159 CZ2 TRP A2084 11.197 10.000 -4.806 1.00 43.01 C ATOM 1160 CZ3 TRP A2084 10.383 12.081 -3.892 1.00 3.24 C ATOM 1161 CH2 TRP A2084 11.239 11.399 -4.751 1.00 73.41 C ATOM 0 H TRP A2084 8.552 7.680 0.114 1.00 41.34 H new ATOM 0 HA TRP A2084 8.797 10.540 -0.117 1.00 3.42 H new ATOM 0 HB2 TRP A2084 6.855 8.570 -1.301 1.00 23.50 H new ATOM 0 HB3 TRP A2084 6.952 10.271 -1.712 1.00 23.50 H new ATOM 0 HD1 TRP A2084 8.582 6.965 -2.532 1.00 1.34 H new ATOM 0 HE1 TRP A2084 10.462 7.249 -4.294 1.00 1.41 H new ATOM 0 HE3 TRP A2084 8.800 12.026 -2.394 1.00 73.11 H new ATOM 0 HZ2 TRP A2084 11.846 9.437 -5.460 1.00 43.01 H new ATOM 0 HZ3 TRP A2084 10.442 13.159 -3.875 1.00 3.24 H new ATOM 0 HH2 TRP A2084 11.933 11.946 -5.373 1.00 73.41 H new ATOM 1172 N CYS A2085 6.457 9.199 1.717 1.00 30.01 N ATOM 1173 CA CYS A2085 5.418 9.479 2.692 1.00 71.13 C ATOM 1174 C CYS A2085 6.002 10.396 3.767 1.00 53.51 C ATOM 1175 O CYS A2085 5.425 11.435 4.085 1.00 74.44 O ATOM 1176 CB CYS A2085 4.840 8.194 3.290 1.00 55.25 C ATOM 1177 SG CYS A2085 3.886 7.286 2.019 1.00 53.12 S ATOM 0 H CYS A2085 6.710 8.214 1.634 1.00 30.01 H new ATOM 0 HA CYS A2085 4.583 9.981 2.202 1.00 71.13 H new ATOM 0 HB2 CYS A2085 5.645 7.566 3.670 1.00 55.25 H new ATOM 0 HB3 CYS A2085 4.197 8.434 4.137 1.00 55.25 H new ATOM 0 HG CYS A2085 4.702 6.782 1.142 1.00 53.12 H new ATOM 1183 N ARG A2086 7.143 9.980 4.298 1.00 12.52 N ATOM 1184 CA ARG A2086 7.815 10.752 5.330 1.00 71.44 C ATOM 1185 C ARG A2086 8.209 12.129 4.793 1.00 70.35 C ATOM 1186 O ARG A2086 8.063 13.134 5.485 1.00 42.23 O ATOM 1187 CB ARG A2086 9.065 10.029 5.833 1.00 32.31 C ATOM 1188 CG ARG A2086 8.755 9.196 7.078 1.00 44.00 C ATOM 1189 CD ARG A2086 8.332 7.776 6.695 1.00 73.12 C ATOM 1190 NE ARG A2086 7.214 7.331 7.556 1.00 3.23 N ATOM 1191 CZ ARG A2086 7.336 7.045 8.870 1.00 23.33 C ATOM 1192 NH1 ARG A2086 8.532 7.156 9.487 1.00 11.34 N ATOM 1193 NH2 ARG A2086 6.270 6.655 9.541 1.00 74.30 N ATOM 0 H ARG A2086 7.619 9.118 4.033 1.00 12.52 H new ATOM 0 HA ARG A2086 7.120 10.870 6.161 1.00 71.44 H new ATOM 0 HB2 ARG A2086 9.456 9.383 5.047 1.00 32.31 H new ATOM 0 HB3 ARG A2086 9.843 10.757 6.063 1.00 32.31 H new ATOM 0 HG2 ARG A2086 9.634 9.157 7.722 1.00 44.00 H new ATOM 0 HG3 ARG A2086 7.961 9.674 7.651 1.00 44.00 H new ATOM 0 HD2 ARG A2086 8.029 7.748 5.648 1.00 73.12 H new ATOM 0 HD3 ARG A2086 9.177 7.095 6.801 1.00 73.12 H new ATOM 0 HE ARG A2086 6.292 7.234 7.130 1.00 3.23 H new ATOM 0 HH11 ARG A2086 9.352 7.458 8.960 1.00 11.34 H new ATOM 0 HH12 ARG A2086 8.616 6.938 10.480 1.00 11.34 H new ATOM 0 HH21 ARG A2086 5.371 6.573 9.067 1.00 74.30 H new ATOM 0 HH22 ARG A2086 6.345 6.435 10.534 1.00 74.30 H new ATOM 1205 N LYS A2087 8.703 12.128 3.563 1.00 14.53 N ATOM 1206 CA LYS A2087 9.120 13.365 2.924 1.00 3.25 C ATOM 1207 C LYS A2087 7.984 14.386 3.006 1.00 65.13 C ATOM 1208 O LYS A2087 8.194 15.523 3.425 1.00 14.21 O ATOM 1209 CB LYS A2087 9.604 13.094 1.499 1.00 41.21 C ATOM 1210 CG LYS A2087 11.023 12.525 1.499 1.00 14.22 C ATOM 1211 CD LYS A2087 11.423 12.043 0.103 1.00 60.21 C ATOM 1212 CE LYS A2087 12.582 12.871 -0.455 1.00 73.44 C ATOM 1213 NZ LYS A2087 13.880 12.275 -0.064 1.00 62.13 N ATOM 0 H LYS A2087 8.824 11.291 2.993 1.00 14.53 H new ATOM 0 HA LYS A2087 9.973 13.796 3.448 1.00 3.25 H new ATOM 0 HB2 LYS A2087 8.928 12.393 1.009 1.00 41.21 H new ATOM 0 HB3 LYS A2087 9.579 14.018 0.921 1.00 41.21 H new ATOM 0 HG2 LYS A2087 11.724 13.288 1.839 1.00 14.22 H new ATOM 0 HG3 LYS A2087 11.086 11.697 2.205 1.00 14.22 H new ATOM 0 HD2 LYS A2087 11.710 10.992 0.146 1.00 60.21 H new ATOM 0 HD3 LYS A2087 10.567 12.112 -0.568 1.00 60.21 H new ATOM 0 HE2 LYS A2087 12.511 12.921 -1.542 1.00 73.44 H new ATOM 0 HE3 LYS A2087 12.518 13.894 -0.084 1.00 73.44 H new ATOM 0 HZ1 LYS A2087 14.656 12.849 -0.451 1.00 62.13 H new ATOM 0 HZ2 LYS A2087 13.952 12.249 0.973 1.00 62.13 H new ATOM 0 HZ3 LYS A2087 13.945 11.307 -0.439 1.00 62.13 H new ATOM 1226 N TYR A2088 6.804 13.942 2.598 1.00 15.54 N ATOM 1227 CA TYR A2088 5.632 14.802 2.619 1.00 13.24 C ATOM 1228 C TYR A2088 5.182 15.081 4.055 1.00 51.51 C ATOM 1229 O TYR A2088 4.872 16.219 4.403 1.00 43.03 O ATOM 1230 CB TYR A2088 4.530 14.032 1.892 1.00 24.32 C ATOM 1231 CG TYR A2088 3.144 14.670 2.008 1.00 4.42 C ATOM 1232 CD1 TYR A2088 2.786 15.700 1.161 1.00 0.44 C ATOM 1233 CD2 TYR A2088 2.253 14.218 2.959 1.00 3.44 C ATOM 1234 CE1 TYR A2088 1.482 16.300 1.269 1.00 13.20 C ATOM 1235 CE2 TYR A2088 0.949 14.819 3.068 1.00 10.11 C ATOM 1236 CZ TYR A2088 0.628 15.830 2.218 1.00 52.43 C ATOM 1237 OH TYR A2088 -0.603 16.399 2.321 1.00 50.32 O ATOM 0 H TYR A2088 6.634 12.998 2.251 1.00 15.54 H new ATOM 0 HA TYR A2088 5.851 15.760 2.149 1.00 13.24 H new ATOM 0 HB2 TYR A2088 4.794 13.950 0.838 1.00 24.32 H new ATOM 0 HB3 TYR A2088 4.486 13.018 2.290 1.00 24.32 H new ATOM 0 HD1 TYR A2088 3.484 16.055 0.418 1.00 0.44 H new ATOM 0 HD2 TYR A2088 2.533 13.413 3.622 1.00 3.44 H new ATOM 0 HE1 TYR A2088 1.188 17.105 0.612 1.00 13.20 H new ATOM 0 HE2 TYR A2088 0.242 14.474 3.808 1.00 10.11 H new ATOM 0 HH TYR A2088 -1.106 15.963 3.040 1.00 50.32 H new ATOM 1247 N MET A2089 5.163 14.022 4.850 1.00 33.10 N ATOM 1248 CA MET A2089 4.757 14.138 6.240 1.00 63.04 C ATOM 1249 C MET A2089 5.646 15.131 6.991 1.00 72.01 C ATOM 1250 O MET A2089 5.146 16.022 7.677 1.00 64.34 O ATOM 1251 CB MET A2089 4.843 12.767 6.914 1.00 51.23 C ATOM 1252 CG MET A2089 3.662 11.882 6.507 1.00 23.15 C ATOM 1253 SD MET A2089 2.798 11.311 7.960 1.00 73.41 S ATOM 1254 CE MET A2089 1.141 11.846 7.565 1.00 54.05 C ATOM 0 H MET A2089 5.422 13.080 4.558 1.00 33.10 H new ATOM 0 HA MET A2089 3.731 14.504 6.268 1.00 63.04 H new ATOM 0 HB2 MET A2089 5.779 12.280 6.639 1.00 51.23 H new ATOM 0 HB3 MET A2089 4.854 12.890 7.997 1.00 51.23 H new ATOM 0 HG2 MET A2089 2.981 12.442 5.866 1.00 23.15 H new ATOM 0 HG3 MET A2089 4.018 11.030 5.927 1.00 23.15 H new ATOM 0 HE1 MET A2089 0.805 12.568 8.309 1.00 54.05 H new ATOM 0 HE2 MET A2089 1.134 12.311 6.579 1.00 54.05 H new ATOM 0 HE3 MET A2089 0.471 10.986 7.565 1.00 54.05 H new ATOM 1264 N LYS A2090 6.947 14.947 6.836 1.00 4.34 N ATOM 1265 CA LYS A2090 7.912 15.814 7.490 1.00 44.52 C ATOM 1266 C LYS A2090 7.740 17.243 6.968 1.00 42.23 C ATOM 1267 O LYS A2090 7.467 18.162 7.739 1.00 21.54 O ATOM 1268 CB LYS A2090 9.329 15.266 7.322 1.00 23.55 C ATOM 1269 CG LYS A2090 10.194 15.603 8.538 1.00 32.25 C ATOM 1270 CD LYS A2090 10.564 17.086 8.553 1.00 70.34 C ATOM 1271 CE LYS A2090 10.390 17.680 9.954 1.00 62.51 C ATOM 1272 NZ LYS A2090 11.707 17.975 10.560 1.00 22.23 N ATOM 0 H LYS A2090 7.358 14.208 6.265 1.00 4.34 H new ATOM 0 HA LYS A2090 7.733 15.840 8.565 1.00 44.52 H new ATOM 0 HB2 LYS A2090 9.291 14.185 7.186 1.00 23.55 H new ATOM 0 HB3 LYS A2090 9.781 15.685 6.423 1.00 23.55 H new ATOM 0 HG2 LYS A2090 9.657 15.349 9.452 1.00 32.25 H new ATOM 0 HG3 LYS A2090 11.101 14.998 8.522 1.00 32.25 H new ATOM 0 HD2 LYS A2090 11.597 17.210 8.227 1.00 70.34 H new ATOM 0 HD3 LYS A2090 9.938 17.628 7.844 1.00 70.34 H new ATOM 0 HE2 LYS A2090 9.797 18.593 9.897 1.00 62.51 H new ATOM 0 HE3 LYS A2090 9.841 16.982 10.586 1.00 62.51 H new ATOM 0 HZ1 LYS A2090 11.570 18.377 11.509 1.00 22.23 H new ATOM 0 HZ2 LYS A2090 12.260 17.097 10.632 1.00 22.23 H new ATOM 0 HZ3 LYS A2090 12.218 18.658 9.965 1.00 22.23 H new ATOM 1285 N SER A2091 7.908 17.386 5.661 1.00 42.04 N ATOM 1286 CA SER A2091 7.774 18.686 5.026 1.00 15.04 C ATOM 1287 C SER A2091 8.090 18.576 3.534 1.00 62.31 C ATOM 1288 O SER A2091 9.024 19.209 3.045 1.00 51.12 O ATOM 1289 CB SER A2091 8.691 19.717 5.688 1.00 32.44 C ATOM 1290 OG SER A2091 7.990 20.537 6.620 1.00 44.02 O ATOM 0 H SER A2091 8.136 16.622 5.024 1.00 42.04 H new ATOM 0 HA SER A2091 6.744 19.022 5.148 1.00 15.04 H new ATOM 0 HB2 SER A2091 9.505 19.203 6.199 1.00 32.44 H new ATOM 0 HB3 SER A2091 9.143 20.346 4.921 1.00 32.44 H new ATOM 0 HG SER A2091 7.581 19.973 7.309 1.00 44.02 H new ATOM 1296 N GLY A2092 7.294 17.765 2.852 1.00 1.51 N ATOM 1297 CA GLY A2092 7.477 17.564 1.425 1.00 45.14 C ATOM 1298 C GLY A2092 6.449 18.363 0.621 1.00 72.11 C ATOM 1299 O GLY A2092 6.140 19.504 0.963 1.00 34.23 O ATOM 0 H GLY A2092 6.521 17.240 3.261 1.00 1.51 H new ATOM 0 HA2 GLY A2092 8.484 17.868 1.138 1.00 45.14 H new ATOM 0 HA3 GLY A2092 7.384 16.504 1.189 1.00 45.14 H new ATOM 1303 N ASN A2093 5.948 17.734 -0.431 1.00 33.03 N ATOM 1304 CA ASN A2093 4.962 18.370 -1.285 1.00 53.45 C ATOM 1305 C ASN A2093 4.020 17.307 -1.852 1.00 60.13 C ATOM 1306 O ASN A2093 4.364 16.127 -1.897 1.00 13.11 O ATOM 1307 CB ASN A2093 5.631 19.085 -2.461 1.00 20.23 C ATOM 1308 CG ASN A2093 5.629 20.602 -2.254 1.00 44.14 C ATOM 1309 OD1 ASN A2093 5.618 21.104 -1.144 1.00 20.24 O ATOM 1310 ND2 ASN A2093 5.638 21.301 -3.386 1.00 0.22 N ATOM 0 H ASN A2093 6.208 16.788 -0.711 1.00 33.03 H new ATOM 0 HA ASN A2093 4.416 19.097 -0.684 1.00 53.45 H new ATOM 0 HB2 ASN A2093 6.656 18.731 -2.571 1.00 20.23 H new ATOM 0 HB3 ASN A2093 5.108 18.840 -3.385 1.00 20.23 H new ATOM 0 HD21 ASN A2093 5.636 22.321 -3.356 1.00 0.22 H new ATOM 0 HD22 ASN A2093 5.647 20.817 -4.284 1.00 0.22 H new ATOM 1317 N VAL A2094 2.848 17.763 -2.272 1.00 24.44 N ATOM 1318 CA VAL A2094 1.854 16.866 -2.834 1.00 12.21 C ATOM 1319 C VAL A2094 2.524 15.942 -3.853 1.00 11.55 C ATOM 1320 O VAL A2094 2.215 14.753 -3.919 1.00 54.22 O ATOM 1321 CB VAL A2094 0.697 17.670 -3.428 1.00 31.10 C ATOM 1322 CG1 VAL A2094 0.916 17.929 -4.919 1.00 23.25 C ATOM 1323 CG2 VAL A2094 -0.642 16.970 -3.183 1.00 2.11 C ATOM 0 H VAL A2094 2.566 18.742 -2.234 1.00 24.44 H new ATOM 0 HA VAL A2094 1.427 16.236 -2.054 1.00 12.21 H new ATOM 0 HB VAL A2094 0.667 18.635 -2.922 1.00 31.10 H new ATOM 0 HG11 VAL A2094 0.078 18.503 -5.316 1.00 23.25 H new ATOM 0 HG12 VAL A2094 1.839 18.491 -5.059 1.00 23.25 H new ATOM 0 HG13 VAL A2094 0.987 16.978 -5.447 1.00 23.25 H new ATOM 0 HG21 VAL A2094 -1.447 17.563 -3.616 1.00 2.11 H new ATOM 0 HG22 VAL A2094 -0.628 15.984 -3.648 1.00 2.11 H new ATOM 0 HG23 VAL A2094 -0.806 16.863 -2.111 1.00 2.11 H new ATOM 1333 N LYS A2095 3.430 16.525 -4.626 1.00 35.42 N ATOM 1334 CA LYS A2095 4.148 15.772 -5.639 1.00 65.11 C ATOM 1335 C LYS A2095 4.707 14.491 -5.014 1.00 4.11 C ATOM 1336 O LYS A2095 4.609 13.414 -5.602 1.00 50.34 O ATOM 1337 CB LYS A2095 5.211 16.646 -6.307 1.00 32.32 C ATOM 1338 CG LYS A2095 6.068 15.826 -7.273 1.00 1.04 C ATOM 1339 CD LYS A2095 7.547 16.195 -7.141 1.00 30.14 C ATOM 1340 CE LYS A2095 8.413 15.317 -8.047 1.00 33.32 C ATOM 1341 NZ LYS A2095 8.791 14.067 -7.350 1.00 73.23 N ATOM 0 H LYS A2095 3.683 17.512 -4.570 1.00 35.42 H new ATOM 0 HA LYS A2095 3.472 15.469 -6.439 1.00 65.11 H new ATOM 0 HB2 LYS A2095 4.730 17.462 -6.846 1.00 32.32 H new ATOM 0 HB3 LYS A2095 5.847 17.098 -5.545 1.00 32.32 H new ATOM 0 HG2 LYS A2095 5.935 14.763 -7.071 1.00 1.04 H new ATOM 0 HG3 LYS A2095 5.736 16.000 -8.297 1.00 1.04 H new ATOM 0 HD2 LYS A2095 7.689 17.244 -7.401 1.00 30.14 H new ATOM 0 HD3 LYS A2095 7.864 16.078 -6.105 1.00 30.14 H new ATOM 0 HE2 LYS A2095 7.869 15.080 -8.961 1.00 33.32 H new ATOM 0 HE3 LYS A2095 9.310 15.862 -8.342 1.00 33.32 H new ATOM 0 HZ1 LYS A2095 9.378 13.483 -7.979 1.00 73.23 H new ATOM 0 HZ2 LYS A2095 9.328 14.298 -6.490 1.00 73.23 H new ATOM 0 HZ3 LYS A2095 7.932 13.541 -7.091 1.00 73.23 H new ATOM 1354 N ASP A2096 5.283 14.650 -3.832 1.00 44.14 N ATOM 1355 CA ASP A2096 5.858 13.521 -3.122 1.00 51.44 C ATOM 1356 C ASP A2096 4.736 12.597 -2.646 1.00 61.12 C ATOM 1357 O ASP A2096 4.892 11.376 -2.638 1.00 25.12 O ATOM 1358 CB ASP A2096 6.642 13.983 -1.892 1.00 53.51 C ATOM 1359 CG ASP A2096 7.687 15.069 -2.162 1.00 65.24 C ATOM 1360 OD1 ASP A2096 8.896 14.847 -1.998 1.00 51.10 O ATOM 1361 OD2 ASP A2096 7.209 16.198 -2.565 1.00 41.33 O ATOM 0 H ASP A2096 5.364 15.544 -3.348 1.00 44.14 H new ATOM 0 HA ASP A2096 6.531 13.003 -3.805 1.00 51.44 H new ATOM 0 HB2 ASP A2096 5.937 14.355 -1.149 1.00 53.51 H new ATOM 0 HB3 ASP A2096 7.142 13.120 -1.453 1.00 53.51 H new ATOM 1367 N LEU A2097 3.628 13.214 -2.262 1.00 22.44 N ATOM 1368 CA LEU A2097 2.479 12.462 -1.785 1.00 62.22 C ATOM 1369 C LEU A2097 1.937 11.594 -2.922 1.00 44.24 C ATOM 1370 O LEU A2097 1.698 10.401 -2.736 1.00 70.31 O ATOM 1371 CB LEU A2097 1.437 13.404 -1.180 1.00 64.51 C ATOM 1372 CG LEU A2097 0.039 12.815 -0.973 1.00 21.13 C ATOM 1373 CD1 LEU A2097 0.122 11.364 -0.495 1.00 74.41 C ATOM 1374 CD2 LEU A2097 -0.788 13.684 -0.027 1.00 74.54 C ATOM 0 H LEU A2097 3.501 14.226 -2.271 1.00 22.44 H new ATOM 0 HA LEU A2097 2.771 11.788 -0.980 1.00 62.22 H new ATOM 0 HB2 LEU A2097 1.808 13.754 -0.217 1.00 64.51 H new ATOM 0 HB3 LEU A2097 1.349 14.279 -1.825 1.00 64.51 H new ATOM 0 HG LEU A2097 -0.475 12.809 -1.934 1.00 21.13 H new ATOM 0 HD11 LEU A2097 -0.884 10.969 -0.355 1.00 74.41 H new ATOM 0 HD12 LEU A2097 0.647 10.765 -1.239 1.00 74.41 H new ATOM 0 HD13 LEU A2097 0.662 11.323 0.451 1.00 74.41 H new ATOM 0 HD21 LEU A2097 -1.776 13.243 0.102 1.00 74.54 H new ATOM 0 HD22 LEU A2097 -0.289 13.746 0.940 1.00 74.54 H new ATOM 0 HD23 LEU A2097 -0.890 14.684 -0.447 1.00 74.54 H new ATOM 1386 N THR A2098 1.760 12.224 -4.073 1.00 14.11 N ATOM 1387 CA THR A2098 1.250 11.523 -5.239 1.00 64.33 C ATOM 1388 C THR A2098 2.198 10.389 -5.637 1.00 74.04 C ATOM 1389 O THR A2098 1.752 9.298 -5.983 1.00 33.23 O ATOM 1390 CB THR A2098 1.034 12.552 -6.352 1.00 32.51 C ATOM 1391 OG1 THR A2098 -0.200 13.179 -6.011 1.00 1.34 O ATOM 1392 CG2 THR A2098 0.758 11.899 -7.707 1.00 43.24 C ATOM 0 H THR A2098 1.961 13.213 -4.224 1.00 14.11 H new ATOM 0 HA THR A2098 0.293 11.046 -5.026 1.00 64.33 H new ATOM 0 HB THR A2098 1.913 13.192 -6.430 1.00 32.51 H new ATOM 0 HG1 THR A2098 -0.416 13.862 -6.680 1.00 1.34 H new ATOM 0 HG21 THR A2098 0.612 12.673 -8.461 1.00 43.24 H new ATOM 0 HG22 THR A2098 1.605 11.273 -7.988 1.00 43.24 H new ATOM 0 HG23 THR A2098 -0.140 11.285 -7.639 1.00 43.24 H new ATOM 1400 N GLN A2099 3.485 10.689 -5.572 1.00 20.02 N ATOM 1401 CA GLN A2099 4.500 9.708 -5.919 1.00 5.42 C ATOM 1402 C GLN A2099 4.352 8.458 -5.050 1.00 51.21 C ATOM 1403 O GLN A2099 4.337 7.339 -5.561 1.00 53.13 O ATOM 1404 CB GLN A2099 5.904 10.301 -5.791 1.00 72.11 C ATOM 1405 CG GLN A2099 6.723 10.052 -7.059 1.00 0.23 C ATOM 1406 CD GLN A2099 8.021 9.308 -6.736 1.00 41.13 C ATOM 1407 OE1 GLN A2099 8.139 8.619 -5.737 1.00 0.31 O ATOM 1408 NE2 GLN A2099 8.985 9.486 -7.636 1.00 42.10 N ATOM 0 H GLN A2099 3.850 11.597 -5.284 1.00 20.02 H new ATOM 0 HA GLN A2099 4.356 9.421 -6.961 1.00 5.42 H new ATOM 0 HB2 GLN A2099 5.834 11.373 -5.604 1.00 72.11 H new ATOM 0 HB3 GLN A2099 6.412 9.860 -4.933 1.00 72.11 H new ATOM 0 HG2 GLN A2099 6.134 9.471 -7.769 1.00 0.23 H new ATOM 0 HG3 GLN A2099 6.954 11.003 -7.539 1.00 0.23 H new ATOM 0 HE21 GLN A2099 8.819 10.077 -8.451 1.00 42.10 H new ATOM 0 HE22 GLN A2099 9.890 9.032 -7.511 1.00 42.10 H new ATOM 1417 N ALA A2100 4.244 8.691 -3.750 1.00 20.03 N ATOM 1418 CA ALA A2100 4.096 7.598 -2.804 1.00 75.44 C ATOM 1419 C ALA A2100 2.862 6.772 -3.172 1.00 41.32 C ATOM 1420 O ALA A2100 2.938 5.549 -3.280 1.00 14.14 O ATOM 1421 CB ALA A2100 4.018 8.161 -1.382 1.00 20.44 C ATOM 0 H ALA A2100 4.256 9.620 -3.330 1.00 20.03 H new ATOM 0 HA ALA A2100 4.960 6.935 -2.846 1.00 75.44 H new ATOM 0 HB1 ALA A2100 3.907 7.342 -0.672 1.00 20.44 H new ATOM 0 HB2 ALA A2100 4.931 8.713 -1.159 1.00 20.44 H new ATOM 0 HB3 ALA A2100 3.161 8.829 -1.302 1.00 20.44 H new ATOM 1427 N TRP A2101 1.754 7.475 -3.357 1.00 22.31 N ATOM 1428 CA TRP A2101 0.504 6.822 -3.712 1.00 15.53 C ATOM 1429 C TRP A2101 0.725 6.057 -5.019 1.00 34.44 C ATOM 1430 O TRP A2101 0.235 4.941 -5.181 1.00 73.23 O ATOM 1431 CB TRP A2101 -0.637 7.835 -3.798 1.00 63.31 C ATOM 1432 CG TRP A2101 -1.756 7.602 -2.779 1.00 11.14 C ATOM 1433 CD1 TRP A2101 -2.259 8.471 -1.894 1.00 35.43 C ATOM 1434 CD2 TRP A2101 -2.492 6.377 -2.577 1.00 32.33 C ATOM 1435 NE1 TRP A2101 -3.261 7.899 -1.136 1.00 2.41 N ATOM 1436 CE2 TRP A2101 -3.408 6.585 -1.566 1.00 0.13 C ATOM 1437 CE3 TRP A2101 -2.388 5.135 -3.227 1.00 73.01 C ATOM 1438 CZ2 TRP A2101 -4.290 5.595 -1.115 1.00 52.52 C ATOM 1439 CZ3 TRP A2101 -3.276 4.157 -2.765 1.00 71.35 C ATOM 1440 CH2 TRP A2101 -4.203 4.350 -1.747 1.00 62.21 C ATOM 0 H TRP A2101 1.695 8.489 -3.268 1.00 22.31 H new ATOM 0 HA TRP A2101 0.206 6.113 -2.940 1.00 15.53 H new ATOM 0 HB2 TRP A2101 -0.231 8.836 -3.654 1.00 63.31 H new ATOM 0 HB3 TRP A2101 -1.061 7.804 -4.802 1.00 63.31 H new ATOM 0 HD1 TRP A2101 -1.923 9.492 -1.786 1.00 35.43 H new ATOM 0 HE1 TRP A2101 -3.795 8.356 -0.397 1.00 2.41 H new ATOM 0 HE3 TRP A2101 -1.679 4.950 -4.020 1.00 73.01 H new ATOM 0 HZ2 TRP A2101 -4.999 5.783 -0.322 1.00 52.52 H new ATOM 0 HZ3 TRP A2101 -3.239 3.184 -3.232 1.00 71.35 H new ATOM 0 HH2 TRP A2101 -4.853 3.542 -1.445 1.00 62.21 H new ATOM 1451 N ASP A2102 1.468 6.688 -5.918 1.00 71.14 N ATOM 1452 CA ASP A2102 1.759 6.082 -7.206 1.00 24.31 C ATOM 1453 C ASP A2102 2.427 4.723 -6.984 1.00 24.13 C ATOM 1454 O ASP A2102 1.999 3.718 -7.549 1.00 64.10 O ATOM 1455 CB ASP A2102 2.717 6.952 -8.021 1.00 31.34 C ATOM 1456 CG ASP A2102 2.188 7.394 -9.386 1.00 50.13 C ATOM 1457 OD1 ASP A2102 1.205 8.143 -9.478 1.00 20.30 O ATOM 1458 OD2 ASP A2102 2.838 6.928 -10.400 1.00 55.02 O ATOM 0 H ASP A2102 1.877 7.612 -5.779 1.00 71.14 H new ATOM 0 HA ASP A2102 0.820 5.975 -7.749 1.00 24.31 H new ATOM 0 HB2 ASP A2102 2.962 7.840 -7.438 1.00 31.34 H new ATOM 0 HB3 ASP A2102 3.646 6.402 -8.169 1.00 31.34 H new ATOM 1464 N LEU A2103 3.463 4.737 -6.161 1.00 30.40 N ATOM 1465 CA LEU A2103 4.195 3.518 -5.858 1.00 52.30 C ATOM 1466 C LEU A2103 3.220 2.457 -5.342 1.00 74.34 C ATOM 1467 O LEU A2103 3.165 1.349 -5.870 1.00 64.31 O ATOM 1468 CB LEU A2103 5.350 3.811 -4.898 1.00 20.23 C ATOM 1469 CG LEU A2103 6.663 4.253 -5.544 1.00 45.25 C ATOM 1470 CD1 LEU A2103 6.648 5.755 -5.840 1.00 0.21 C ATOM 1471 CD2 LEU A2103 7.862 3.851 -4.683 1.00 41.44 C ATOM 0 H LEU A2103 3.814 5.573 -5.694 1.00 30.40 H new ATOM 0 HA LEU A2103 4.655 3.116 -6.761 1.00 52.30 H new ATOM 0 HB2 LEU A2103 5.031 4.588 -4.203 1.00 20.23 H new ATOM 0 HB3 LEU A2103 5.542 2.915 -4.308 1.00 20.23 H new ATOM 0 HG LEU A2103 6.765 3.736 -6.498 1.00 45.25 H new ATOM 0 HD11 LEU A2103 7.593 6.045 -6.299 1.00 0.21 H new ATOM 0 HD12 LEU A2103 5.828 5.983 -6.521 1.00 0.21 H new ATOM 0 HD13 LEU A2103 6.512 6.308 -4.910 1.00 0.21 H new ATOM 0 HD21 LEU A2103 8.783 4.178 -5.166 1.00 41.44 H new ATOM 0 HD22 LEU A2103 7.780 4.321 -3.703 1.00 41.44 H new ATOM 0 HD23 LEU A2103 7.879 2.767 -4.566 1.00 41.44 H new ATOM 1483 N TYR A2104 2.472 2.837 -4.315 1.00 2.35 N ATOM 1484 CA TYR A2104 1.502 1.933 -3.721 1.00 13.04 C ATOM 1485 C TYR A2104 0.527 1.407 -4.775 1.00 42.00 C ATOM 1486 O TYR A2104 0.369 0.197 -4.931 1.00 62.52 O ATOM 1487 CB TYR A2104 0.726 2.762 -2.694 1.00 10.33 C ATOM 1488 CG TYR A2104 1.542 3.138 -1.456 1.00 74.03 C ATOM 1489 CD1 TYR A2104 2.449 2.243 -0.928 1.00 14.42 C ATOM 1490 CD2 TYR A2104 1.369 4.375 -0.866 1.00 3.51 C ATOM 1491 CE1 TYR A2104 3.217 2.599 0.238 1.00 2.21 C ATOM 1492 CE2 TYR A2104 2.137 4.730 0.300 1.00 11.20 C ATOM 1493 CZ TYR A2104 3.022 3.824 0.794 1.00 41.12 C ATOM 1494 OH TYR A2104 3.746 4.159 1.896 1.00 50.33 O ATOM 0 H TYR A2104 2.519 3.758 -3.880 1.00 2.35 H new ATOM 0 HA TYR A2104 2.002 1.074 -3.273 1.00 13.04 H new ATOM 0 HB2 TYR A2104 0.369 3.674 -3.173 1.00 10.33 H new ATOM 0 HB3 TYR A2104 -0.155 2.202 -2.380 1.00 10.33 H new ATOM 0 HD1 TYR A2104 2.584 1.275 -1.389 1.00 14.42 H new ATOM 0 HD2 TYR A2104 0.658 5.076 -1.279 1.00 3.51 H new ATOM 0 HE1 TYR A2104 3.931 1.908 0.661 1.00 2.21 H new ATOM 0 HE2 TYR A2104 2.013 5.694 0.771 1.00 11.20 H new ATOM 0 HH TYR A2104 3.769 5.134 1.989 1.00 50.33 H new ATOM 1504 N TYR A2105 -0.103 2.342 -5.471 1.00 2.01 N ATOM 1505 CA TYR A2105 -1.058 1.986 -6.508 1.00 72.24 C ATOM 1506 C TYR A2105 -0.485 0.920 -7.442 1.00 32.33 C ATOM 1507 O TYR A2105 -1.206 0.032 -7.893 1.00 75.50 O ATOM 1508 CB TYR A2105 -1.308 3.267 -7.308 1.00 32.34 C ATOM 1509 CG TYR A2105 -2.719 3.373 -7.888 1.00 71.23 C ATOM 1510 CD1 TYR A2105 -3.395 2.232 -8.272 1.00 31.13 C ATOM 1511 CD2 TYR A2105 -3.316 4.609 -8.027 1.00 34.22 C ATOM 1512 CE1 TYR A2105 -4.723 2.333 -8.818 1.00 43.12 C ATOM 1513 CE2 TYR A2105 -4.645 4.711 -8.572 1.00 25.50 C ATOM 1514 CZ TYR A2105 -5.283 3.566 -8.942 1.00 62.54 C ATOM 1515 OH TYR A2105 -6.539 3.661 -9.457 1.00 31.42 O ATOM 0 H TYR A2105 0.029 3.345 -5.338 1.00 2.01 H new ATOM 0 HA TYR A2105 -1.969 1.583 -6.067 1.00 72.24 H new ATOM 0 HB2 TYR A2105 -1.126 4.127 -6.664 1.00 32.34 H new ATOM 0 HB3 TYR A2105 -0.586 3.321 -8.123 1.00 32.34 H new ATOM 0 HD1 TYR A2105 -2.928 1.264 -8.163 1.00 31.13 H new ATOM 0 HD2 TYR A2105 -2.786 5.501 -7.727 1.00 34.22 H new ATOM 0 HE1 TYR A2105 -5.263 1.449 -9.123 1.00 43.12 H new ATOM 0 HE2 TYR A2105 -5.124 5.672 -8.685 1.00 25.50 H new ATOM 0 HH TYR A2105 -6.811 4.602 -9.485 1.00 31.42 H new ATOM 1525 N HIS A2106 0.809 1.041 -7.703 1.00 1.30 N ATOM 1526 CA HIS A2106 1.489 0.098 -8.575 1.00 44.01 C ATOM 1527 C HIS A2106 1.452 -1.298 -7.949 1.00 54.10 C ATOM 1528 O HIS A2106 1.004 -2.254 -8.579 1.00 35.25 O ATOM 1529 CB HIS A2106 2.909 0.572 -8.887 1.00 33.53 C ATOM 1530 CG HIS A2106 3.482 -0.001 -10.161 1.00 64.22 C ATOM 1531 ND1 HIS A2106 3.783 -1.344 -10.311 1.00 41.14 N ATOM 1532 CD2 HIS A2106 3.805 0.600 -11.342 1.00 73.14 C ATOM 1533 CE1 HIS A2106 4.265 -1.530 -11.532 1.00 34.03 C ATOM 1534 NE2 HIS A2106 4.278 -0.324 -12.168 1.00 2.12 N ATOM 0 H HIS A2106 1.404 1.778 -7.326 1.00 1.30 H new ATOM 0 HA HIS A2106 0.970 0.043 -9.532 1.00 44.01 H new ATOM 0 HB2 HIS A2106 2.911 1.660 -8.957 1.00 33.53 H new ATOM 0 HB3 HIS A2106 3.561 0.305 -8.055 1.00 33.53 H new ATOM 0 HD2 HIS A2106 3.694 1.651 -11.567 1.00 73.14 H new ATOM 0 HE1 HIS A2106 4.590 -2.471 -11.950 1.00 34.03 H new ATOM 0 HE2 HIS A2106 4.599 -0.159 -13.122 1.00 2.12 H new ATOM 1543 N VAL A2107 1.930 -1.370 -6.715 1.00 13.51 N ATOM 1544 CA VAL A2107 1.958 -2.633 -5.996 1.00 51.23 C ATOM 1545 C VAL A2107 0.524 -3.090 -5.722 1.00 1.44 C ATOM 1546 O VAL A2107 0.197 -4.260 -5.907 1.00 23.22 O ATOM 1547 CB VAL A2107 2.795 -2.490 -4.723 1.00 1.14 C ATOM 1548 CG1 VAL A2107 3.942 -1.499 -4.928 1.00 34.31 C ATOM 1549 CG2 VAL A2107 1.922 -2.080 -3.536 1.00 72.22 C ATOM 0 H VAL A2107 2.301 -0.575 -6.195 1.00 13.51 H new ATOM 0 HA VAL A2107 2.435 -3.406 -6.598 1.00 51.23 H new ATOM 0 HB VAL A2107 3.231 -3.464 -4.498 1.00 1.14 H new ATOM 0 HG11 VAL A2107 4.520 -1.417 -4.008 1.00 34.31 H new ATOM 0 HG12 VAL A2107 4.588 -1.851 -5.732 1.00 34.31 H new ATOM 0 HG13 VAL A2107 3.536 -0.522 -5.190 1.00 34.31 H new ATOM 0 HG21 VAL A2107 2.542 -1.985 -2.644 1.00 72.22 H new ATOM 0 HG22 VAL A2107 1.444 -1.124 -3.749 1.00 72.22 H new ATOM 0 HG23 VAL A2107 1.157 -2.838 -3.368 1.00 72.22 H new ATOM 1559 N PHE A2108 -0.291 -2.143 -5.285 1.00 74.23 N ATOM 1560 CA PHE A2108 -1.683 -2.434 -4.983 1.00 54.12 C ATOM 1561 C PHE A2108 -2.450 -2.819 -6.250 1.00 34.03 C ATOM 1562 O PHE A2108 -3.408 -3.589 -6.191 1.00 75.02 O ATOM 1563 CB PHE A2108 -2.291 -1.157 -4.401 1.00 63.33 C ATOM 1564 CG PHE A2108 -2.162 -1.042 -2.881 1.00 63.20 C ATOM 1565 CD1 PHE A2108 -0.986 -0.642 -2.326 1.00 44.11 C ATOM 1566 CD2 PHE A2108 -3.222 -1.341 -2.084 1.00 50.34 C ATOM 1567 CE1 PHE A2108 -0.865 -0.536 -0.916 1.00 23.51 C ATOM 1568 CE2 PHE A2108 -3.101 -1.235 -0.672 1.00 71.33 C ATOM 1569 CZ PHE A2108 -1.926 -0.834 -0.118 1.00 65.41 C ATOM 0 H PHE A2108 -0.015 -1.173 -5.132 1.00 74.23 H new ATOM 0 HA PHE A2108 -1.746 -3.269 -4.285 1.00 54.12 H new ATOM 0 HB2 PHE A2108 -1.809 -0.295 -4.862 1.00 63.33 H new ATOM 0 HB3 PHE A2108 -3.346 -1.114 -4.670 1.00 63.33 H new ATOM 0 HD1 PHE A2108 -0.144 -0.405 -2.959 1.00 44.11 H new ATOM 0 HD2 PHE A2108 -4.156 -1.659 -2.524 1.00 50.34 H new ATOM 0 HE1 PHE A2108 0.069 -0.219 -0.476 1.00 23.51 H new ATOM 0 HE2 PHE A2108 -3.943 -1.473 -0.039 1.00 71.33 H new ATOM 0 HZ PHE A2108 -1.835 -0.752 0.955 1.00 65.41 H new ATOM 1579 N ARG A2109 -2.000 -2.264 -7.366 1.00 21.42 N ATOM 1580 CA ARG A2109 -2.632 -2.540 -8.646 1.00 75.43 C ATOM 1581 C ARG A2109 -2.235 -3.929 -9.145 1.00 4.34 C ATOM 1582 O ARG A2109 -3.008 -4.589 -9.837 1.00 1.12 O ATOM 1583 CB ARG A2109 -2.236 -1.496 -9.691 1.00 60.14 C ATOM 1584 CG ARG A2109 -2.756 -1.884 -11.077 1.00 72.24 C ATOM 1585 CD ARG A2109 -2.093 -1.041 -12.167 1.00 1.15 C ATOM 1586 NE ARG A2109 -1.602 -1.916 -13.255 1.00 42.15 N ATOM 1587 CZ ARG A2109 -1.172 -1.466 -14.453 1.00 65.43 C ATOM 1588 NH1 ARG A2109 -1.170 -0.143 -14.727 1.00 25.24 N ATOM 1589 NH2 ARG A2109 -0.755 -2.337 -15.353 1.00 64.45 N ATOM 0 H ARG A2109 -1.206 -1.625 -7.411 1.00 21.42 H new ATOM 0 HA ARG A2109 -3.711 -2.499 -8.499 1.00 75.43 H new ATOM 0 HB2 ARG A2109 -2.636 -0.523 -9.408 1.00 60.14 H new ATOM 0 HB3 ARG A2109 -1.151 -1.398 -9.720 1.00 60.14 H new ATOM 0 HG2 ARG A2109 -2.560 -2.941 -11.260 1.00 72.24 H new ATOM 0 HG3 ARG A2109 -3.837 -1.749 -11.115 1.00 72.24 H new ATOM 0 HD2 ARG A2109 -2.806 -0.319 -12.564 1.00 1.15 H new ATOM 0 HD3 ARG A2109 -1.265 -0.472 -11.745 1.00 1.15 H new ATOM 0 HE ARG A2109 -1.588 -2.922 -13.089 1.00 42.15 H new ATOM 0 HH11 ARG A2109 -1.495 0.523 -14.026 1.00 25.24 H new ATOM 0 HH12 ARG A2109 -0.844 0.189 -15.634 1.00 25.24 H new ATOM 0 HH21 ARG A2109 -0.761 -3.334 -15.139 1.00 64.45 H new ATOM 0 HH22 ARG A2109 -0.427 -2.013 -16.263 1.00 64.45 H new ATOM 1601 N ARG A2110 -1.028 -4.334 -8.776 1.00 50.53 N ATOM 1602 CA ARG A2110 -0.518 -5.633 -9.179 1.00 20.23 C ATOM 1603 C ARG A2110 -1.231 -6.746 -8.408 1.00 4.40 C ATOM 1604 O ARG A2110 -1.740 -7.693 -9.007 1.00 53.14 O ATOM 1605 CB ARG A2110 0.989 -5.733 -8.931 1.00 34.52 C ATOM 1606 CG ARG A2110 1.714 -6.277 -10.164 1.00 34.22 C ATOM 1607 CD ARG A2110 1.392 -7.757 -10.381 1.00 23.14 C ATOM 1608 NE ARG A2110 2.140 -8.271 -11.550 1.00 30.14 N ATOM 1609 CZ ARG A2110 2.075 -9.546 -11.989 1.00 31.40 C ATOM 1610 NH1 ARG A2110 1.294 -10.449 -11.359 1.00 4.01 N ATOM 1611 NH2 ARG A2110 2.787 -9.897 -13.044 1.00 60.14 N ATOM 0 H ARG A2110 -0.389 -3.785 -8.202 1.00 50.53 H new ATOM 0 HA ARG A2110 -0.708 -5.748 -10.246 1.00 20.23 H new ATOM 0 HB2 ARG A2110 1.385 -4.750 -8.676 1.00 34.52 H new ATOM 0 HB3 ARG A2110 1.178 -6.384 -8.077 1.00 34.52 H new ATOM 0 HG2 ARG A2110 1.421 -5.705 -11.044 1.00 34.22 H new ATOM 0 HG3 ARG A2110 2.790 -6.149 -10.044 1.00 34.22 H new ATOM 0 HD2 ARG A2110 1.654 -8.329 -9.491 1.00 23.14 H new ATOM 0 HD3 ARG A2110 0.321 -7.885 -10.539 1.00 23.14 H new ATOM 0 HE ARG A2110 2.742 -7.621 -12.056 1.00 30.14 H new ATOM 0 HH11 ARG A2110 0.747 -10.170 -10.545 1.00 4.01 H new ATOM 0 HH12 ARG A2110 1.251 -11.410 -11.697 1.00 4.01 H new ATOM 0 HH21 ARG A2110 3.375 -9.209 -13.514 1.00 60.14 H new ATOM 0 HH22 ARG A2110 2.749 -10.856 -13.389 1.00 60.14 H new ATOM 1623 N ILE A2111 -1.244 -6.594 -7.093 1.00 74.44 N ATOM 1624 CA ILE A2111 -1.887 -7.575 -6.234 1.00 64.32 C ATOM 1625 C ILE A2111 -3.224 -7.989 -6.851 1.00 23.31 C ATOM 1626 O ILE A2111 -3.694 -9.104 -6.633 1.00 21.02 O ATOM 1627 CB ILE A2111 -2.009 -7.037 -4.806 1.00 22.24 C ATOM 1628 CG1 ILE A2111 -2.589 -5.621 -4.800 1.00 15.31 C ATOM 1629 CG2 ILE A2111 -0.667 -7.111 -4.074 1.00 5.41 C ATOM 1630 CD1 ILE A2111 -2.787 -5.116 -3.369 1.00 1.31 C ATOM 0 H ILE A2111 -0.820 -5.808 -6.601 1.00 74.44 H new ATOM 0 HA ILE A2111 -1.277 -8.476 -6.161 1.00 64.32 H new ATOM 0 HB ILE A2111 -2.707 -7.672 -4.261 1.00 22.24 H new ATOM 0 HG12 ILE A2111 -1.921 -4.948 -5.338 1.00 15.31 H new ATOM 0 HG13 ILE A2111 -3.543 -5.612 -5.328 1.00 15.31 H new ATOM 0 HG21 ILE A2111 -0.783 -6.723 -3.062 1.00 5.41 H new ATOM 0 HG22 ILE A2111 -0.334 -8.148 -4.029 1.00 5.41 H new ATOM 0 HG23 ILE A2111 0.073 -6.515 -4.609 1.00 5.41 H new ATOM 0 HD11 ILE A2111 -3.200 -4.108 -3.393 1.00 1.31 H new ATOM 0 HD12 ILE A2111 -3.474 -5.777 -2.842 1.00 1.31 H new ATOM 0 HD13 ILE A2111 -1.828 -5.103 -2.852 1.00 1.31 H new ATOM 1642 N SER A2112 -3.799 -7.069 -7.610 1.00 71.03 N ATOM 1643 CA SER A2112 -5.073 -7.323 -8.261 1.00 32.24 C ATOM 1644 C SER A2112 -4.840 -7.842 -9.682 1.00 24.12 C ATOM 1645 O SER A2112 -5.389 -8.872 -10.068 1.00 12.45 O ATOM 1646 CB SER A2112 -5.939 -6.063 -8.291 1.00 23.23 C ATOM 1647 OG SER A2112 -6.863 -6.026 -7.207 1.00 13.21 O ATOM 0 H SER A2112 -3.406 -6.145 -7.789 1.00 71.03 H new ATOM 0 HA SER A2112 -5.605 -8.081 -7.686 1.00 32.24 H new ATOM 0 HB2 SER A2112 -5.299 -5.182 -8.252 1.00 23.23 H new ATOM 0 HB3 SER A2112 -6.484 -6.020 -9.234 1.00 23.23 H new ATOM 0 HG SER A2112 -7.397 -5.206 -7.260 1.00 13.21 H new ATOM 1653 N LYS A2113 -4.024 -7.103 -10.422 1.00 34.54 N ATOM 1654 CA LYS A2113 -3.713 -7.475 -11.790 1.00 34.52 C ATOM 1655 C LYS A2113 -3.533 -8.991 -11.874 1.00 30.54 C ATOM 1656 O LYS A2113 -3.807 -9.595 -12.911 1.00 71.44 O ATOM 1657 CB LYS A2113 -2.506 -6.683 -12.298 1.00 12.44 C ATOM 1658 CG LYS A2113 -2.079 -7.164 -13.686 1.00 44.53 C ATOM 1659 CD LYS A2113 -2.748 -6.333 -14.784 1.00 50.33 C ATOM 1660 CE LYS A2113 -2.726 -7.075 -16.122 1.00 64.30 C ATOM 1661 NZ LYS A2113 -2.108 -6.233 -17.171 1.00 13.44 N ATOM 0 H LYS A2113 -3.570 -6.249 -10.098 1.00 34.54 H new ATOM 0 HA LYS A2113 -4.538 -7.215 -12.453 1.00 34.52 H new ATOM 0 HB2 LYS A2113 -2.753 -5.622 -12.337 1.00 12.44 H new ATOM 0 HB3 LYS A2113 -1.676 -6.791 -11.600 1.00 12.44 H new ATOM 0 HG2 LYS A2113 -0.995 -7.095 -13.782 1.00 44.53 H new ATOM 0 HG3 LYS A2113 -2.343 -8.214 -13.808 1.00 44.53 H new ATOM 0 HD2 LYS A2113 -3.778 -6.113 -14.503 1.00 50.33 H new ATOM 0 HD3 LYS A2113 -2.235 -5.377 -14.886 1.00 50.33 H new ATOM 0 HE2 LYS A2113 -2.169 -8.006 -16.019 1.00 64.30 H new ATOM 0 HE3 LYS A2113 -3.742 -7.342 -16.413 1.00 64.30 H new ATOM 0 HZ1 LYS A2113 -2.101 -6.751 -18.073 1.00 13.44 H new ATOM 0 HZ2 LYS A2113 -2.656 -5.356 -17.280 1.00 13.44 H new ATOM 0 HZ3 LYS A2113 -1.132 -5.999 -16.898 1.00 13.44 H new