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: A2026 MET CE :methyl 142:sc= -9.17! (180deg=-8.06!) USER MOD Set 1.2: A2057 MET CE :methyl 172:sc= -3.69! (180deg=-0.0552) USER MOD Set 1.3: A2058 MET CE :methyl 163:sc= -21.5! (180deg=-14.8!) USER MOD Single : A2024 HIS : no HD1:sc= -0.714 K(o=-0.71,f=-1.5) USER MOD Single : A2028 HIS : no HD1:sc= -0.617 X(o=-0.62,f=-0.15) USER MOD Single : A2035 SER OG : rot 180:sc= 0 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.412 K(o=-0.41,f=0.88) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -145:sc= -2.17! (180deg=-4.66!) USER MOD Single : A2055 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-2.8!) USER MOD Single : A2063 GLN : amide:sc= 0.899 K(o=0.9,f=0.21!) 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 180:sc= 0 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0597 X(o=-0.06,f=-0.53) USER MOD Single : A2072 GLN : amide:sc= -0.0556 K(o=-0.056,f=-1.7!) USER MOD Single : A2074 TYR OH : rot 165:sc= -0.589 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) USER MOD Single : A2085 CYS SG : rot 108:sc= -1.77! USER MOD Single : A2087 LYS NZ :NH3+ 148:sc=-0.00823 (180deg=-0.573) USER MOD Single : A2088 TYR OH : rot 30:sc= -0.541 USER MOD Single : A2089 MET CE :methyl -120:sc= -7.95! (180deg=-12.5!) 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=-0.00745 X(o=-0.0075,f=0) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 81:sc= 0.612 USER MOD Single : A2099 GLN : amide:sc= -0.329 K(o=-0.33,f=-2.2!) USER MOD Single : A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2112 SER OG : rot -4:sc= 0.121 USER MOD Single : A2113 LYS NZ :NH3+ -137:sc= -2.02 (180deg=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -7.716 -12.754 3.240 1.00 31.42 N ATOM 144 CA LEU A2022 -6.330 -12.818 2.808 1.00 21.23 C ATOM 145 C LEU A2022 -5.690 -11.437 2.957 1.00 33.12 C ATOM 146 O LEU A2022 -6.281 -10.536 3.549 1.00 2.34 O ATOM 147 CB LEU A2022 -6.236 -13.390 1.392 1.00 35.43 C ATOM 148 CG LEU A2022 -5.342 -14.622 1.224 1.00 60.24 C ATOM 149 CD1 LEU A2022 -3.880 -14.284 1.527 1.00 62.21 C ATOM 150 CD2 LEU A2022 -5.849 -15.787 2.074 1.00 33.22 C ATOM 0 HA LEU A2022 -5.765 -13.502 3.441 1.00 21.23 H new ATOM 0 HB2 LEU A2022 -7.241 -13.647 1.058 1.00 35.43 H new ATOM 0 HB3 LEU A2022 -5.870 -12.607 0.729 1.00 35.43 H new ATOM 0 HG LEU A2022 -5.390 -14.939 0.182 1.00 60.24 H new ATOM 0 HD11 LEU A2022 -3.267 -15.176 1.400 1.00 62.21 H new ATOM 0 HD12 LEU A2022 -3.537 -13.507 0.843 1.00 62.21 H new ATOM 0 HD13 LEU A2022 -3.794 -13.927 2.553 1.00 62.21 H new ATOM 0 HD21 LEU A2022 -5.196 -16.649 1.936 1.00 33.22 H new ATOM 0 HD22 LEU A2022 -5.850 -15.497 3.125 1.00 33.22 H new ATOM 0 HD23 LEU A2022 -6.862 -16.047 1.768 1.00 33.22 H new ATOM 162 N TRP A2023 -4.488 -11.316 2.411 1.00 70.35 N ATOM 163 CA TRP A2023 -3.761 -10.058 2.476 1.00 23.42 C ATOM 164 C TRP A2023 -4.366 -9.109 1.439 1.00 62.12 C ATOM 165 O TRP A2023 -4.722 -7.977 1.764 1.00 13.21 O ATOM 166 CB TRP A2023 -2.261 -10.283 2.278 1.00 43.22 C ATOM 167 CG TRP A2023 -1.480 -10.458 3.581 1.00 72.24 C ATOM 168 CD1 TRP A2023 -1.956 -10.791 4.789 1.00 53.51 C ATOM 169 CD2 TRP A2023 -0.059 -10.292 3.760 1.00 35.14 C ATOM 170 NE1 TRP A2023 -0.948 -10.854 5.729 1.00 13.52 N ATOM 171 CE2 TRP A2023 0.243 -10.540 5.085 1.00 61.31 C ATOM 172 CE3 TRP A2023 0.941 -9.944 2.834 1.00 32.43 C ATOM 173 CZ2 TRP A2023 1.542 -10.468 5.603 1.00 44.44 C ATOM 174 CZ3 TRP A2023 2.234 -9.875 3.368 1.00 1.33 C ATOM 175 CH2 TRP A2023 2.553 -10.121 4.697 1.00 53.23 C ATOM 0 H TRP A2023 -4.000 -12.067 1.922 1.00 70.35 H new ATOM 0 HA TRP A2023 -3.860 -9.604 3.462 1.00 23.42 H new ATOM 0 HB2 TRP A2023 -2.116 -11.168 1.658 1.00 43.22 H new ATOM 0 HB3 TRP A2023 -1.847 -9.437 1.729 1.00 43.22 H new ATOM 0 HD1 TRP A2023 -2.997 -10.985 5.000 1.00 53.51 H new ATOM 0 HE1 TRP A2023 -1.057 -11.088 6.716 1.00 13.52 H new ATOM 0 HE3 TRP A2023 0.729 -9.746 1.794 1.00 32.43 H new ATOM 0 HZ2 TRP A2023 1.753 -10.669 6.643 1.00 44.44 H new ATOM 0 HZ3 TRP A2023 3.040 -9.612 2.699 1.00 1.33 H new ATOM 0 HH2 TRP A2023 3.577 -10.045 5.031 1.00 53.23 H new ATOM 186 N HIS A2024 -4.464 -9.604 0.215 1.00 4.31 N ATOM 187 CA HIS A2024 -5.019 -8.814 -0.870 1.00 11.13 C ATOM 188 C HIS A2024 -6.322 -8.156 -0.411 1.00 70.34 C ATOM 189 O HIS A2024 -6.746 -7.149 -0.978 1.00 64.24 O ATOM 190 CB HIS A2024 -5.196 -9.666 -2.129 1.00 74.33 C ATOM 191 CG HIS A2024 -4.111 -10.697 -2.331 1.00 34.32 C ATOM 192 ND1 HIS A2024 -4.208 -11.992 -1.853 1.00 65.14 N ATOM 193 CD2 HIS A2024 -2.906 -10.608 -2.963 1.00 72.50 C ATOM 194 CE1 HIS A2024 -3.105 -12.645 -2.188 1.00 73.21 C ATOM 195 NE2 HIS A2024 -2.299 -11.786 -2.873 1.00 5.41 N ATOM 0 H HIS A2024 -4.168 -10.544 -0.050 1.00 4.31 H new ATOM 0 HA HIS A2024 -4.324 -8.018 -1.136 1.00 11.13 H new ATOM 0 HB2 HIS A2024 -6.160 -10.173 -2.080 1.00 74.33 H new ATOM 0 HB3 HIS A2024 -5.225 -9.009 -2.998 1.00 74.33 H new ATOM 0 HD2 HIS A2024 -2.512 -9.730 -3.453 1.00 72.50 H new ATOM 0 HE1 HIS A2024 -2.884 -13.677 -1.958 1.00 73.21 H new ATOM 0 HE2 HIS A2024 -1.380 -12.011 -3.254 1.00 5.41 H new ATOM 204 N GLU A2025 -6.922 -8.751 0.610 1.00 21.15 N ATOM 205 CA GLU A2025 -8.166 -8.237 1.151 1.00 60.21 C ATOM 206 C GLU A2025 -7.911 -6.952 1.943 1.00 2.31 C ATOM 207 O GLU A2025 -8.735 -6.039 1.934 1.00 30.14 O ATOM 208 CB GLU A2025 -8.863 -9.286 2.019 1.00 4.42 C ATOM 209 CG GLU A2025 -10.098 -8.699 2.706 1.00 43.12 C ATOM 210 CD GLU A2025 -11.285 -8.641 1.744 1.00 4.00 C ATOM 211 OE1 GLU A2025 -11.194 -9.147 0.615 1.00 32.11 O ATOM 212 OE2 GLU A2025 -12.332 -8.044 2.205 1.00 23.31 O ATOM 0 H GLU A2025 -6.568 -9.586 1.077 1.00 21.15 H new ATOM 0 HA GLU A2025 -8.830 -8.002 0.319 1.00 60.21 H new ATOM 0 HB2 GLU A2025 -9.155 -10.136 1.403 1.00 4.42 H new ATOM 0 HB3 GLU A2025 -8.168 -9.661 2.771 1.00 4.42 H new ATOM 0 HG2 GLU A2025 -10.358 -9.305 3.574 1.00 43.12 H new ATOM 0 HG3 GLU A2025 -9.873 -7.697 3.072 1.00 43.12 H new ATOM 220 N MET A2026 -6.766 -6.924 2.607 1.00 30.15 N ATOM 221 CA MET A2026 -6.391 -5.766 3.403 1.00 32.34 C ATOM 222 C MET A2026 -5.994 -4.592 2.508 1.00 14.43 C ATOM 223 O MET A2026 -6.200 -3.434 2.868 1.00 31.21 O ATOM 224 CB MET A2026 -5.219 -6.132 4.316 1.00 13.21 C ATOM 225 CG MET A2026 -3.886 -5.993 3.579 1.00 34.04 C ATOM 226 SD MET A2026 -3.193 -4.374 3.870 1.00 14.55 S ATOM 227 CE MET A2026 -1.453 -4.773 3.848 1.00 23.12 C ATOM 0 H MET A2026 -6.085 -7.683 2.611 1.00 30.15 H new ATOM 0 HA MET A2026 -7.250 -5.467 4.003 1.00 32.34 H new ATOM 0 HB2 MET A2026 -5.222 -5.486 5.194 1.00 13.21 H new ATOM 0 HB3 MET A2026 -5.337 -7.155 4.672 1.00 13.21 H new ATOM 0 HG2 MET A2026 -3.191 -6.761 3.919 1.00 34.04 H new ATOM 0 HG3 MET A2026 -4.034 -6.147 2.510 1.00 34.04 H new ATOM 0 HE1 MET A2026 -0.902 -3.972 3.356 1.00 23.12 H new ATOM 0 HE2 MET A2026 -1.093 -4.886 4.870 1.00 23.12 H new ATOM 0 HE3 MET A2026 -1.300 -5.705 3.304 1.00 23.12 H new ATOM 237 N TRP A2027 -5.429 -4.930 1.357 1.00 43.31 N ATOM 238 CA TRP A2027 -5.001 -3.918 0.407 1.00 52.24 C ATOM 239 C TRP A2027 -6.251 -3.318 -0.242 1.00 52.24 C ATOM 240 O TRP A2027 -6.404 -2.098 -0.291 1.00 43.40 O ATOM 241 CB TRP A2027 -4.022 -4.501 -0.613 1.00 12.24 C ATOM 242 CG TRP A2027 -2.709 -4.995 0.000 1.00 23.55 C ATOM 243 CD1 TRP A2027 -2.491 -6.132 0.677 1.00 2.25 C ATOM 244 CD2 TRP A2027 -1.434 -4.322 -0.039 1.00 40.14 C ATOM 245 NE1 TRP A2027 -1.174 -6.236 1.076 1.00 12.01 N ATOM 246 CE2 TRP A2027 -0.510 -5.101 0.628 1.00 43.34 C ATOM 247 CE3 TRP A2027 -1.073 -3.092 -0.618 1.00 44.43 C ATOM 248 CZ2 TRP A2027 0.833 -4.738 0.778 1.00 25.33 C ATOM 249 CZ3 TRP A2027 0.275 -2.743 -0.460 1.00 72.41 C ATOM 250 CH2 TRP A2027 1.216 -3.519 0.209 1.00 70.24 C ATOM 0 H TRP A2027 -5.258 -5.891 1.062 1.00 43.31 H new ATOM 0 HA TRP A2027 -4.455 -3.122 0.914 1.00 52.24 H new ATOM 0 HB2 TRP A2027 -4.504 -5.330 -1.132 1.00 12.24 H new ATOM 0 HB3 TRP A2027 -3.799 -3.742 -1.363 1.00 12.24 H new ATOM 0 HD1 TRP A2027 -3.250 -6.872 0.884 1.00 2.25 H new ATOM 0 HE1 TRP A2027 -0.763 -7.006 1.604 1.00 12.01 H new ATOM 0 HE3 TRP A2027 -1.779 -2.466 -1.143 1.00 44.43 H new ATOM 0 HZ2 TRP A2027 1.536 -5.366 1.305 1.00 25.33 H new ATOM 0 HZ3 TRP A2027 0.606 -1.808 -0.887 1.00 72.41 H new ATOM 0 HH2 TRP A2027 2.239 -3.181 0.289 1.00 70.24 H new ATOM 261 N HIS A2028 -7.113 -4.204 -0.721 1.00 53.42 N ATOM 262 CA HIS A2028 -8.345 -3.777 -1.363 1.00 32.01 C ATOM 263 C HIS A2028 -9.121 -2.852 -0.422 1.00 44.32 C ATOM 264 O HIS A2028 -9.400 -1.706 -0.764 1.00 41.32 O ATOM 265 CB HIS A2028 -9.165 -4.985 -1.821 1.00 53.31 C ATOM 266 CG HIS A2028 -10.656 -4.806 -1.666 1.00 5.24 C ATOM 267 ND1 HIS A2028 -11.450 -4.248 -2.653 1.00 35.50 N ATOM 268 CD2 HIS A2028 -11.489 -5.120 -0.633 1.00 52.11 C ATOM 269 CE1 HIS A2028 -12.703 -4.231 -2.222 1.00 70.04 C ATOM 270 NE2 HIS A2028 -12.725 -4.770 -0.970 1.00 72.22 N ATOM 0 H HIS A2028 -6.983 -5.215 -0.677 1.00 53.42 H new ATOM 0 HA HIS A2028 -8.113 -3.208 -2.263 1.00 32.01 H new ATOM 0 HB2 HIS A2028 -8.940 -5.189 -2.868 1.00 53.31 H new ATOM 0 HB3 HIS A2028 -8.853 -5.861 -1.252 1.00 53.31 H new ATOM 0 HD2 HIS A2028 -11.194 -5.576 0.301 1.00 52.11 H new ATOM 0 HE1 HIS A2028 -13.557 -3.856 -2.767 1.00 70.04 H new ATOM 0 HE2 HIS A2028 -13.554 -4.885 -0.388 1.00 72.22 H new ATOM 279 N GLU A2029 -9.448 -3.390 0.745 1.00 12.34 N ATOM 280 CA GLU A2029 -10.187 -2.628 1.737 1.00 20.04 C ATOM 281 C GLU A2029 -9.310 -1.512 2.312 1.00 23.30 C ATOM 282 O GLU A2029 -9.814 -0.460 2.699 1.00 41.33 O ATOM 283 CB GLU A2029 -10.712 -3.539 2.847 1.00 21.34 C ATOM 284 CG GLU A2029 -9.560 -4.136 3.659 1.00 14.13 C ATOM 285 CD GLU A2029 -9.508 -3.532 5.063 1.00 55.32 C ATOM 286 OE1 GLU A2029 -9.648 -4.260 6.056 1.00 14.21 O ATOM 287 OE2 GLU A2029 -9.312 -2.256 5.101 1.00 44.41 O ATOM 0 H GLU A2029 -9.215 -4.343 1.025 1.00 12.34 H new ATOM 0 HA GLU A2029 -11.048 -2.171 1.249 1.00 20.04 H new ATOM 0 HB2 GLU A2029 -11.371 -2.973 3.506 1.00 21.34 H new ATOM 0 HB3 GLU A2029 -11.309 -4.341 2.412 1.00 21.34 H new ATOM 0 HG2 GLU A2029 -9.681 -5.217 3.729 1.00 14.13 H new ATOM 0 HG3 GLU A2029 -8.616 -3.954 3.146 1.00 14.13 H new ATOM 295 N GLY A2030 -8.014 -1.783 2.350 1.00 31.04 N ATOM 296 CA GLY A2030 -7.063 -0.817 2.870 1.00 62.51 C ATOM 297 C GLY A2030 -7.063 0.460 2.027 1.00 11.42 C ATOM 298 O GLY A2030 -7.409 1.534 2.521 1.00 13.34 O ATOM 0 H GLY A2030 -7.600 -2.658 2.029 1.00 31.04 H new ATOM 0 HA2 GLY A2030 -7.313 -0.575 3.903 1.00 62.51 H new ATOM 0 HA3 GLY A2030 -6.064 -1.252 2.877 1.00 62.51 H new ATOM 302 N LEU A2031 -6.672 0.304 0.771 1.00 24.34 N ATOM 303 CA LEU A2031 -6.623 1.431 -0.143 1.00 45.01 C ATOM 304 C LEU A2031 -8.025 2.029 -0.287 1.00 72.13 C ATOM 305 O LEU A2031 -8.174 3.238 -0.455 1.00 12.14 O ATOM 306 CB LEU A2031 -5.993 1.014 -1.473 1.00 50.25 C ATOM 307 CG LEU A2031 -4.992 1.999 -2.081 1.00 55.14 C ATOM 308 CD1 LEU A2031 -4.052 2.556 -1.009 1.00 23.03 C ATOM 309 CD2 LEU A2031 -4.224 1.358 -3.239 1.00 62.23 C ATOM 0 H LEU A2031 -6.386 -0.587 0.365 1.00 24.34 H new ATOM 0 HA LEU A2031 -5.981 2.217 0.256 1.00 45.01 H new ATOM 0 HB2 LEU A2031 -5.490 0.058 -1.330 1.00 50.25 H new ATOM 0 HB3 LEU A2031 -6.793 0.848 -2.195 1.00 50.25 H new ATOM 0 HG LEU A2031 -5.549 2.841 -2.492 1.00 55.14 H new ATOM 0 HD11 LEU A2031 -3.351 3.253 -1.467 1.00 23.03 H new ATOM 0 HD12 LEU A2031 -4.635 3.075 -0.248 1.00 23.03 H new ATOM 0 HD13 LEU A2031 -3.500 1.737 -0.548 1.00 23.03 H new ATOM 0 HD21 LEU A2031 -3.520 2.080 -3.652 1.00 62.23 H new ATOM 0 HD22 LEU A2031 -3.679 0.487 -2.876 1.00 62.23 H new ATOM 0 HD23 LEU A2031 -4.925 1.050 -4.015 1.00 62.23 H new ATOM 321 N GLU A2032 -9.016 1.152 -0.216 1.00 55.20 N ATOM 322 CA GLU A2032 -10.401 1.577 -0.335 1.00 11.11 C ATOM 323 C GLU A2032 -10.707 2.677 0.683 1.00 72.13 C ATOM 324 O GLU A2032 -11.192 3.748 0.318 1.00 2.34 O ATOM 325 CB GLU A2032 -11.354 0.393 -0.167 1.00 71.00 C ATOM 326 CG GLU A2032 -11.913 -0.057 -1.519 1.00 35.03 C ATOM 327 CD GLU A2032 -12.688 1.074 -2.195 1.00 1.30 C ATOM 328 OE1 GLU A2032 -13.252 1.938 -1.507 1.00 44.53 O ATOM 329 OE2 GLU A2032 -12.692 1.038 -3.485 1.00 64.00 O ATOM 0 H GLU A2032 -8.888 0.150 -0.078 1.00 55.20 H new ATOM 0 HA GLU A2032 -10.552 1.983 -1.335 1.00 11.11 H new ATOM 0 HB2 GLU A2032 -10.829 -0.436 0.308 1.00 71.00 H new ATOM 0 HB3 GLU A2032 -12.174 0.672 0.495 1.00 71.00 H new ATOM 0 HG2 GLU A2032 -11.096 -0.380 -2.165 1.00 35.03 H new ATOM 0 HG3 GLU A2032 -12.567 -0.917 -1.378 1.00 35.03 H new ATOM 337 N GLU A2033 -10.415 2.375 1.939 1.00 14.42 N ATOM 338 CA GLU A2033 -10.653 3.326 3.012 1.00 0.42 C ATOM 339 C GLU A2033 -9.687 4.506 2.901 1.00 33.11 C ATOM 340 O GLU A2033 -10.105 5.661 2.935 1.00 50.52 O ATOM 341 CB GLU A2033 -10.537 2.648 4.380 1.00 40.41 C ATOM 342 CG GLU A2033 -10.844 3.635 5.508 1.00 4.52 C ATOM 343 CD GLU A2033 -11.668 2.968 6.611 1.00 20.11 C ATOM 344 OE1 GLU A2033 -11.551 1.752 6.823 1.00 23.24 O ATOM 345 OE2 GLU A2033 -12.449 3.760 7.262 1.00 70.24 O ATOM 0 H GLU A2033 -10.016 1.485 2.238 1.00 14.42 H new ATOM 0 HA GLU A2033 -11.670 3.706 2.916 1.00 0.42 H new ATOM 0 HB2 GLU A2033 -11.226 1.805 4.432 1.00 40.41 H new ATOM 0 HB3 GLU A2033 -9.532 2.246 4.507 1.00 40.41 H new ATOM 0 HG2 GLU A2033 -9.912 4.017 5.926 1.00 4.52 H new ATOM 0 HG3 GLU A2033 -11.389 4.491 5.109 1.00 4.52 H new ATOM 353 N ALA A2034 -8.410 4.173 2.770 1.00 34.44 N ATOM 354 CA ALA A2034 -7.381 5.192 2.655 1.00 11.13 C ATOM 355 C ALA A2034 -7.748 6.157 1.526 1.00 2.33 C ATOM 356 O ALA A2034 -7.703 7.374 1.705 1.00 22.24 O ATOM 357 CB ALA A2034 -6.021 4.521 2.431 1.00 42.43 C ATOM 0 H ALA A2034 -8.066 3.213 2.741 1.00 34.44 H new ATOM 0 HA ALA A2034 -7.311 5.773 3.575 1.00 11.13 H new ATOM 0 HB1 ALA A2034 -5.248 5.285 2.345 1.00 42.43 H new ATOM 0 HB2 ALA A2034 -5.794 3.869 3.274 1.00 42.43 H new ATOM 0 HB3 ALA A2034 -6.053 3.932 1.515 1.00 42.43 H new ATOM 363 N SER A2035 -8.103 5.578 0.388 1.00 74.15 N ATOM 364 CA SER A2035 -8.479 6.371 -0.770 1.00 35.12 C ATOM 365 C SER A2035 -9.644 7.295 -0.417 1.00 72.25 C ATOM 366 O SER A2035 -9.614 8.486 -0.724 1.00 12.22 O ATOM 367 CB SER A2035 -8.850 5.477 -1.953 1.00 0.14 C ATOM 368 OG SER A2035 -9.323 6.231 -3.065 1.00 40.31 O ATOM 0 H SER A2035 -8.138 4.569 0.243 1.00 74.15 H new ATOM 0 HA SER A2035 -7.621 6.976 -1.062 1.00 35.12 H new ATOM 0 HB2 SER A2035 -7.979 4.895 -2.254 1.00 0.14 H new ATOM 0 HB3 SER A2035 -9.617 4.767 -1.644 1.00 0.14 H new ATOM 0 HG SER A2035 -9.548 5.623 -3.800 1.00 40.31 H new ATOM 374 N ARG A2036 -10.646 6.712 0.227 1.00 31.45 N ATOM 375 CA ARG A2036 -11.821 7.467 0.627 1.00 50.41 C ATOM 376 C ARG A2036 -11.412 8.684 1.458 1.00 44.21 C ATOM 377 O ARG A2036 -12.012 9.751 1.339 1.00 73.11 O ATOM 378 CB ARG A2036 -12.782 6.600 1.443 1.00 1.23 C ATOM 379 CG ARG A2036 -14.165 6.552 0.790 1.00 72.45 C ATOM 380 CD ARG A2036 -14.909 5.271 1.176 1.00 2.55 C ATOM 381 NE ARG A2036 -16.276 5.599 1.640 1.00 42.51 N ATOM 382 CZ ARG A2036 -17.287 4.709 1.704 1.00 4.03 C ATOM 383 NH1 ARG A2036 -17.094 3.424 1.334 1.00 52.31 N ATOM 384 NH2 ARG A2036 -18.469 5.112 2.133 1.00 33.23 N ATOM 0 H ARG A2036 -10.667 5.724 0.481 1.00 31.45 H new ATOM 0 HA ARG A2036 -12.328 7.796 -0.280 1.00 50.41 H new ATOM 0 HB2 ARG A2036 -12.382 5.590 1.530 1.00 1.23 H new ATOM 0 HB3 ARG A2036 -12.867 6.998 2.454 1.00 1.23 H new ATOM 0 HG2 ARG A2036 -14.747 7.421 1.097 1.00 72.45 H new ATOM 0 HG3 ARG A2036 -14.062 6.604 -0.294 1.00 72.45 H new ATOM 0 HD2 ARG A2036 -14.958 4.598 0.320 1.00 2.55 H new ATOM 0 HD3 ARG A2036 -14.365 4.748 1.962 1.00 2.55 H new ATOM 0 HE ARG A2036 -16.465 6.559 1.930 1.00 42.51 H new ATOM 0 HH11 ARG A2036 -16.178 3.121 1.003 1.00 52.31 H new ATOM 0 HH12 ARG A2036 -17.864 2.757 1.386 1.00 52.31 H new ATOM 0 HH21 ARG A2036 -18.607 6.084 2.410 1.00 33.23 H new ATOM 0 HH22 ARG A2036 -19.244 4.451 2.187 1.00 33.23 H new ATOM 396 N LEU A2037 -10.394 8.483 2.282 1.00 11.22 N ATOM 397 CA LEU A2037 -9.897 9.551 3.132 1.00 63.31 C ATOM 398 C LEU A2037 -9.201 10.605 2.268 1.00 23.32 C ATOM 399 O LEU A2037 -9.282 11.799 2.554 1.00 3.45 O ATOM 400 CB LEU A2037 -9.011 8.983 4.242 1.00 15.03 C ATOM 401 CG LEU A2037 -9.655 7.925 5.140 1.00 11.14 C ATOM 402 CD1 LEU A2037 -8.694 6.761 5.392 1.00 63.51 C ATOM 403 CD2 LEU A2037 -10.157 8.547 6.445 1.00 32.20 C ATOM 0 H LEU A2037 -9.900 7.596 2.379 1.00 11.22 H new ATOM 0 HA LEU A2037 -10.723 10.050 3.638 1.00 63.31 H new ATOM 0 HB2 LEU A2037 -8.122 8.550 3.784 1.00 15.03 H new ATOM 0 HB3 LEU A2037 -8.676 9.808 4.870 1.00 15.03 H new ATOM 0 HG LEU A2037 -10.523 7.519 4.621 1.00 11.14 H new ATOM 0 HD11 LEU A2037 -9.176 6.023 6.033 1.00 63.51 H new ATOM 0 HD12 LEU A2037 -8.427 6.297 4.442 1.00 63.51 H new ATOM 0 HD13 LEU A2037 -7.793 7.132 5.880 1.00 63.51 H new ATOM 0 HD21 LEU A2037 -10.610 7.774 7.066 1.00 32.20 H new ATOM 0 HD22 LEU A2037 -9.320 8.997 6.979 1.00 32.20 H new ATOM 0 HD23 LEU A2037 -10.899 9.314 6.221 1.00 32.20 H new ATOM 415 N TYR A2038 -8.535 10.124 1.228 1.00 51.25 N ATOM 416 CA TYR A2038 -7.826 11.010 0.321 1.00 45.52 C ATOM 417 C TYR A2038 -8.798 11.712 -0.632 1.00 23.14 C ATOM 418 O TYR A2038 -8.807 12.938 -0.722 1.00 43.30 O ATOM 419 CB TYR A2038 -6.889 10.116 -0.494 1.00 1.31 C ATOM 420 CG TYR A2038 -6.032 10.876 -1.512 1.00 71.50 C ATOM 421 CD1 TYR A2038 -5.077 11.771 -1.077 1.00 71.12 C ATOM 422 CD2 TYR A2038 -6.218 10.666 -2.861 1.00 21.03 C ATOM 423 CE1 TYR A2038 -4.271 12.483 -2.033 1.00 71.01 C ATOM 424 CE2 TYR A2038 -5.413 11.379 -3.819 1.00 1.13 C ATOM 425 CZ TYR A2038 -4.479 12.254 -3.357 1.00 30.30 C ATOM 426 OH TYR A2038 -3.718 12.928 -4.261 1.00 72.12 O ATOM 0 H TYR A2038 -8.472 9.133 0.994 1.00 51.25 H new ATOM 0 HA TYR A2038 -7.292 11.781 0.877 1.00 45.52 H new ATOM 0 HB2 TYR A2038 -6.232 9.578 0.189 1.00 1.31 H new ATOM 0 HB3 TYR A2038 -7.483 9.369 -1.020 1.00 1.31 H new ATOM 0 HD1 TYR A2038 -4.934 11.937 -0.019 1.00 71.12 H new ATOM 0 HD2 TYR A2038 -6.968 9.966 -3.200 1.00 21.03 H new ATOM 0 HE1 TYR A2038 -3.517 13.184 -1.706 1.00 71.01 H new ATOM 0 HE2 TYR A2038 -5.548 11.223 -4.879 1.00 1.13 H new ATOM 0 HH TYR A2038 -3.976 12.663 -5.168 1.00 72.12 H new ATOM 501 N ASN A2043 -7.779 14.359 4.400 1.00 62.51 N ATOM 502 CA ASN A2043 -7.212 13.754 5.593 1.00 25.25 C ATOM 503 C ASN A2043 -6.188 12.693 5.183 1.00 1.43 C ATOM 504 O ASN A2043 -6.487 11.500 5.195 1.00 15.21 O ATOM 505 CB ASN A2043 -8.292 13.069 6.431 1.00 40.11 C ATOM 506 CG ASN A2043 -9.355 14.073 6.881 1.00 62.40 C ATOM 507 OD1 ASN A2043 -9.533 15.132 6.301 1.00 1.14 O ATOM 508 ND2 ASN A2043 -10.053 13.682 7.945 1.00 1.35 N ATOM 0 HA ASN A2043 -6.746 14.544 6.182 1.00 25.25 H new ATOM 0 HB2 ASN A2043 -8.760 12.275 5.849 1.00 40.11 H new ATOM 0 HB3 ASN A2043 -7.837 12.600 7.303 1.00 40.11 H new ATOM 0 HD21 ASN A2043 -10.787 14.281 8.322 1.00 1.35 H new ATOM 0 HD22 ASN A2043 -9.854 12.783 8.384 1.00 1.35 H new ATOM 515 N VAL A2044 -5.001 13.166 4.831 1.00 50.12 N ATOM 516 CA VAL A2044 -3.932 12.274 4.419 1.00 53.43 C ATOM 517 C VAL A2044 -3.527 11.389 5.600 1.00 71.32 C ATOM 518 O VAL A2044 -2.774 10.432 5.435 1.00 20.05 O ATOM 519 CB VAL A2044 -2.763 13.084 3.851 1.00 63.14 C ATOM 520 CG1 VAL A2044 -1.477 12.256 3.841 1.00 63.32 C ATOM 521 CG2 VAL A2044 -3.090 13.609 2.453 1.00 3.21 C ATOM 0 H VAL A2044 -4.757 14.156 4.823 1.00 50.12 H new ATOM 0 HA VAL A2044 -4.272 11.615 3.620 1.00 53.43 H new ATOM 0 HB VAL A2044 -2.602 13.944 4.502 1.00 63.14 H new ATOM 0 HG11 VAL A2044 -0.662 12.854 3.433 1.00 63.32 H new ATOM 0 HG12 VAL A2044 -1.231 11.954 4.859 1.00 63.32 H new ATOM 0 HG13 VAL A2044 -1.620 11.369 3.224 1.00 63.32 H new ATOM 0 HG21 VAL A2044 -2.244 14.181 2.072 1.00 3.21 H new ATOM 0 HG22 VAL A2044 -3.290 12.770 1.787 1.00 3.21 H new ATOM 0 HG23 VAL A2044 -3.969 14.251 2.502 1.00 3.21 H new ATOM 531 N LYS A2045 -4.048 11.743 6.766 1.00 12.23 N ATOM 532 CA LYS A2045 -3.750 10.992 7.976 1.00 32.21 C ATOM 533 C LYS A2045 -4.456 9.638 7.916 1.00 65.55 C ATOM 534 O LYS A2045 -3.893 8.622 8.323 1.00 60.33 O ATOM 535 CB LYS A2045 -4.100 11.816 9.216 1.00 73.24 C ATOM 536 CG LYS A2045 -5.558 12.280 9.173 1.00 32.02 C ATOM 537 CD LYS A2045 -6.389 11.578 10.248 1.00 25.30 C ATOM 538 CE LYS A2045 -6.442 12.408 11.531 1.00 14.21 C ATOM 539 NZ LYS A2045 -7.580 11.984 12.376 1.00 73.22 N ATOM 0 H LYS A2045 -4.673 12.538 6.899 1.00 12.23 H new ATOM 0 HA LYS A2045 -2.681 10.790 8.048 1.00 32.21 H new ATOM 0 HB2 LYS A2045 -3.931 11.220 10.113 1.00 73.24 H new ATOM 0 HB3 LYS A2045 -3.441 12.682 9.280 1.00 73.24 H new ATOM 0 HG2 LYS A2045 -5.604 13.359 9.320 1.00 32.02 H new ATOM 0 HG3 LYS A2045 -5.980 12.074 8.190 1.00 32.02 H new ATOM 0 HD2 LYS A2045 -7.400 11.409 9.878 1.00 25.30 H new ATOM 0 HD3 LYS A2045 -5.960 10.599 10.462 1.00 25.30 H new ATOM 0 HE2 LYS A2045 -5.509 12.294 12.083 1.00 14.21 H new ATOM 0 HE3 LYS A2045 -6.539 13.465 11.284 1.00 14.21 H new ATOM 0 HZ1 LYS A2045 -7.601 12.558 13.243 1.00 73.22 H new ATOM 0 HZ2 LYS A2045 -8.469 12.115 11.852 1.00 73.22 H new ATOM 0 HZ3 LYS A2045 -7.471 10.981 12.627 1.00 73.22 H new ATOM 552 N GLY A2046 -5.680 9.666 7.408 1.00 61.43 N ATOM 553 CA GLY A2046 -6.469 8.451 7.291 1.00 72.24 C ATOM 554 C GLY A2046 -5.751 7.411 6.431 1.00 3.30 C ATOM 555 O GLY A2046 -5.496 6.295 6.883 1.00 12.02 O ATOM 0 H GLY A2046 -6.144 10.510 7.073 1.00 61.43 H new ATOM 0 HA2 GLY A2046 -6.659 8.040 8.282 1.00 72.24 H new ATOM 0 HA3 GLY A2046 -7.439 8.684 6.852 1.00 72.24 H new ATOM 559 N MET A2047 -5.445 7.812 5.205 1.00 34.14 N ATOM 560 CA MET A2047 -4.761 6.927 4.278 1.00 22.32 C ATOM 561 C MET A2047 -3.441 6.427 4.870 1.00 43.31 C ATOM 562 O MET A2047 -3.116 5.246 4.758 1.00 23.12 O ATOM 563 CB MET A2047 -4.484 7.673 2.971 1.00 4.32 C ATOM 564 CG MET A2047 -4.389 9.183 3.211 1.00 24.40 C ATOM 565 SD MET A2047 -3.368 9.936 1.957 1.00 22.43 S ATOM 566 CE MET A2047 -1.819 9.108 2.281 1.00 42.32 C ATOM 0 H MET A2047 -5.658 8.737 4.833 1.00 34.14 H new ATOM 0 HA MET A2047 -5.401 6.066 4.087 1.00 22.32 H new ATOM 0 HB2 MET A2047 -3.554 7.312 2.532 1.00 4.32 H new ATOM 0 HB3 MET A2047 -5.278 7.464 2.254 1.00 4.32 H new ATOM 0 HG2 MET A2047 -5.385 9.626 3.195 1.00 24.40 H new ATOM 0 HG3 MET A2047 -3.970 9.377 4.198 1.00 24.40 H new ATOM 0 HE1 MET A2047 -0.993 9.796 2.097 1.00 42.32 H new ATOM 0 HE2 MET A2047 -1.793 8.779 3.320 1.00 42.32 H new ATOM 0 HE3 MET A2047 -1.724 8.244 1.624 1.00 42.32 H new ATOM 576 N PHE A2048 -2.718 7.349 5.485 1.00 20.31 N ATOM 577 CA PHE A2048 -1.442 7.017 6.095 1.00 75.44 C ATOM 578 C PHE A2048 -1.638 6.136 7.333 1.00 4.31 C ATOM 579 O PHE A2048 -0.845 5.231 7.586 1.00 11.14 O ATOM 580 CB PHE A2048 -0.792 8.334 6.520 1.00 2.02 C ATOM 581 CG PHE A2048 0.046 8.996 5.424 1.00 53.15 C ATOM 582 CD1 PHE A2048 0.736 8.228 4.539 1.00 3.50 C ATOM 583 CD2 PHE A2048 0.101 10.353 5.336 1.00 42.45 C ATOM 584 CE1 PHE A2048 1.513 8.843 3.522 1.00 25.21 C ATOM 585 CE2 PHE A2048 0.878 10.966 4.317 1.00 43.02 C ATOM 586 CZ PHE A2048 1.568 10.199 3.432 1.00 10.11 C ATOM 0 H PHE A2048 -2.991 8.328 5.575 1.00 20.31 H new ATOM 0 HA PHE A2048 -0.823 6.468 5.385 1.00 75.44 H new ATOM 0 HB2 PHE A2048 -1.572 9.027 6.836 1.00 2.02 H new ATOM 0 HB3 PHE A2048 -0.158 8.151 7.388 1.00 2.02 H new ATOM 0 HD1 PHE A2048 0.693 7.151 4.610 1.00 3.50 H new ATOM 0 HD2 PHE A2048 -0.445 10.963 6.040 1.00 42.45 H new ATOM 0 HE1 PHE A2048 2.061 8.233 2.819 1.00 25.21 H new ATOM 0 HE2 PHE A2048 0.921 12.043 4.245 1.00 43.02 H new ATOM 0 HZ PHE A2048 2.159 10.666 2.658 1.00 10.11 H new ATOM 596 N GLU A2049 -2.698 6.434 8.070 1.00 0.01 N ATOM 597 CA GLU A2049 -3.008 5.681 9.273 1.00 41.41 C ATOM 598 C GLU A2049 -3.599 4.318 8.909 1.00 62.31 C ATOM 599 O GLU A2049 -3.700 3.435 9.758 1.00 63.53 O ATOM 600 CB GLU A2049 -3.958 6.468 10.181 1.00 11.24 C ATOM 601 CG GLU A2049 -3.275 7.718 10.736 1.00 42.34 C ATOM 602 CD GLU A2049 -4.308 8.738 11.221 1.00 25.41 C ATOM 603 OE1 GLU A2049 -5.519 8.512 11.069 1.00 33.44 O ATOM 604 OE2 GLU A2049 -3.816 9.793 11.774 1.00 74.55 O ATOM 0 H GLU A2049 -3.353 7.187 7.857 1.00 0.01 H new ATOM 0 HA GLU A2049 -2.083 5.516 9.825 1.00 41.41 H new ATOM 0 HB2 GLU A2049 -4.848 6.754 9.621 1.00 11.24 H new ATOM 0 HB3 GLU A2049 -4.289 5.834 11.004 1.00 11.24 H new ATOM 0 HG2 GLU A2049 -2.617 7.442 11.560 1.00 42.34 H new ATOM 0 HG3 GLU A2049 -2.649 8.167 9.965 1.00 42.34 H new ATOM 612 N VAL A2050 -3.975 4.190 7.645 1.00 1.14 N ATOM 613 CA VAL A2050 -4.554 2.950 7.159 1.00 61.14 C ATOM 614 C VAL A2050 -3.431 1.989 6.764 1.00 24.02 C ATOM 615 O VAL A2050 -3.473 0.806 7.101 1.00 71.35 O ATOM 616 CB VAL A2050 -5.523 3.238 6.011 1.00 50.50 C ATOM 617 CG1 VAL A2050 -5.838 1.965 5.224 1.00 12.52 C ATOM 618 CG2 VAL A2050 -6.806 3.895 6.528 1.00 3.11 C ATOM 0 H VAL A2050 -3.890 4.925 6.943 1.00 1.14 H new ATOM 0 HA VAL A2050 -5.136 2.468 7.944 1.00 61.14 H new ATOM 0 HB VAL A2050 -5.037 3.939 5.332 1.00 50.50 H new ATOM 0 HG11 VAL A2050 -6.529 2.199 4.414 1.00 12.52 H new ATOM 0 HG12 VAL A2050 -4.917 1.557 4.808 1.00 12.52 H new ATOM 0 HG13 VAL A2050 -6.293 1.230 5.888 1.00 12.52 H new ATOM 0 HG21 VAL A2050 -7.478 4.089 5.692 1.00 3.11 H new ATOM 0 HG22 VAL A2050 -7.295 3.229 7.239 1.00 3.11 H new ATOM 0 HG23 VAL A2050 -6.560 4.835 7.022 1.00 3.11 H new ATOM 628 N LEU A2051 -2.451 2.532 6.056 1.00 52.24 N ATOM 629 CA LEU A2051 -1.319 1.736 5.611 1.00 55.24 C ATOM 630 C LEU A2051 -0.375 1.499 6.793 1.00 13.44 C ATOM 631 O LEU A2051 0.095 0.383 7.001 1.00 31.20 O ATOM 632 CB LEU A2051 -0.643 2.393 4.406 1.00 72.23 C ATOM 633 CG LEU A2051 -1.522 2.586 3.169 1.00 10.41 C ATOM 634 CD1 LEU A2051 -2.998 2.352 3.502 1.00 3.32 C ATOM 635 CD2 LEU A2051 -1.288 3.961 2.539 1.00 11.33 C ATOM 0 H LEU A2051 -2.417 3.513 5.780 1.00 52.24 H new ATOM 0 HA LEU A2051 -1.652 0.757 5.265 1.00 55.24 H new ATOM 0 HB2 LEU A2051 -0.263 3.367 4.714 1.00 72.23 H new ATOM 0 HB3 LEU A2051 0.220 1.789 4.124 1.00 72.23 H new ATOM 0 HG LEU A2051 -1.237 1.839 2.428 1.00 10.41 H new ATOM 0 HD11 LEU A2051 -3.601 2.496 2.605 1.00 3.32 H new ATOM 0 HD12 LEU A2051 -3.131 1.335 3.870 1.00 3.32 H new ATOM 0 HD13 LEU A2051 -3.315 3.059 4.269 1.00 3.32 H new ATOM 0 HD21 LEU A2051 -1.925 4.072 1.662 1.00 11.33 H new ATOM 0 HD22 LEU A2051 -1.529 4.739 3.263 1.00 11.33 H new ATOM 0 HD23 LEU A2051 -0.243 4.052 2.243 1.00 11.33 H new ATOM 647 N GLU A2052 -0.123 2.570 7.532 1.00 30.10 N ATOM 648 CA GLU A2052 0.757 2.492 8.687 1.00 4.01 C ATOM 649 C GLU A2052 0.585 1.147 9.394 1.00 23.44 C ATOM 650 O GLU A2052 1.556 0.414 9.587 1.00 64.40 O ATOM 651 CB GLU A2052 0.503 3.654 9.649 1.00 5.24 C ATOM 652 CG GLU A2052 1.654 4.661 9.608 1.00 24.34 C ATOM 653 CD GLU A2052 1.254 5.979 10.275 1.00 65.23 C ATOM 654 OE1 GLU A2052 1.179 6.050 11.509 1.00 33.11 O ATOM 655 OE2 GLU A2052 1.015 6.951 9.461 1.00 4.33 O ATOM 0 H GLU A2052 -0.512 3.496 7.354 1.00 30.10 H new ATOM 0 HA GLU A2052 1.788 2.569 8.341 1.00 4.01 H new ATOM 0 HB2 GLU A2052 -0.430 4.152 9.385 1.00 5.24 H new ATOM 0 HB3 GLU A2052 0.385 3.272 10.663 1.00 5.24 H new ATOM 0 HG2 GLU A2052 2.525 4.244 10.113 1.00 24.34 H new ATOM 0 HG3 GLU A2052 1.943 4.846 8.574 1.00 24.34 H new ATOM 663 N PRO A2053 -0.687 0.853 9.774 1.00 2.51 N ATOM 664 CA PRO A2053 -0.997 -0.391 10.456 1.00 22.12 C ATOM 665 C PRO A2053 -0.979 -1.570 9.481 1.00 62.53 C ATOM 666 O PRO A2053 -0.330 -2.583 9.739 1.00 22.43 O ATOM 667 CB PRO A2053 -2.360 -0.164 11.088 1.00 63.44 C ATOM 668 CG PRO A2053 -2.968 1.020 10.356 1.00 10.52 C ATOM 669 CD PRO A2053 -1.860 1.696 9.563 1.00 65.51 C ATOM 0 HA PRO A2053 -0.259 -0.650 11.215 1.00 22.12 H new ATOM 0 HB2 PRO A2053 -2.989 -1.049 10.989 1.00 63.44 H new ATOM 0 HB3 PRO A2053 -2.266 0.042 12.154 1.00 63.44 H new ATOM 0 HG2 PRO A2053 -3.766 0.689 9.691 1.00 10.52 H new ATOM 0 HG3 PRO A2053 -3.412 1.720 11.064 1.00 10.52 H new ATOM 0 HD2 PRO A2053 -2.114 1.763 8.505 1.00 65.51 H new ATOM 0 HD3 PRO A2053 -1.685 2.713 9.914 1.00 65.51 H new ATOM 677 N LEU A2054 -1.700 -1.399 8.383 1.00 3.33 N ATOM 678 CA LEU A2054 -1.775 -2.437 7.369 1.00 41.10 C ATOM 679 C LEU A2054 -0.364 -2.935 7.050 1.00 44.04 C ATOM 680 O LEU A2054 -0.090 -4.130 7.138 1.00 31.30 O ATOM 681 CB LEU A2054 -2.542 -1.934 6.143 1.00 54.55 C ATOM 682 CG LEU A2054 -4.061 -2.098 6.189 1.00 65.45 C ATOM 683 CD1 LEU A2054 -4.540 -2.367 7.617 1.00 65.44 C ATOM 684 CD2 LEU A2054 -4.762 -0.888 5.567 1.00 63.34 C ATOM 0 H LEU A2054 -2.237 -0.558 8.173 1.00 3.33 H new ATOM 0 HA LEU A2054 -2.339 -3.293 7.740 1.00 41.10 H new ATOM 0 HB2 LEU A2054 -2.315 -0.877 6.005 1.00 54.55 H new ATOM 0 HB3 LEU A2054 -2.166 -2.458 5.264 1.00 54.55 H new ATOM 0 HG LEU A2054 -4.329 -2.968 5.590 1.00 65.45 H new ATOM 0 HD11 LEU A2054 -5.624 -2.480 7.622 1.00 65.44 H new ATOM 0 HD12 LEU A2054 -4.078 -3.281 7.989 1.00 65.44 H new ATOM 0 HD13 LEU A2054 -4.259 -1.532 8.258 1.00 65.44 H new ATOM 0 HD21 LEU A2054 -5.842 -1.030 5.612 1.00 63.34 H new ATOM 0 HD22 LEU A2054 -4.491 0.013 6.118 1.00 63.34 H new ATOM 0 HD23 LEU A2054 -4.453 -0.784 4.527 1.00 63.34 H new ATOM 696 N HIS A2055 0.493 -1.994 6.683 1.00 54.22 N ATOM 697 CA HIS A2055 1.868 -2.321 6.351 1.00 54.31 C ATOM 698 C HIS A2055 2.554 -2.950 7.565 1.00 14.01 C ATOM 699 O HIS A2055 3.147 -4.023 7.461 1.00 74.42 O ATOM 700 CB HIS A2055 2.609 -1.091 5.822 1.00 42.31 C ATOM 701 CG HIS A2055 2.163 -0.649 4.449 1.00 2.20 C ATOM 702 ND1 HIS A2055 2.269 0.658 4.011 1.00 13.31 N ATOM 703 CD2 HIS A2055 1.610 -1.355 3.421 1.00 73.21 C ATOM 704 CE1 HIS A2055 1.800 0.726 2.775 1.00 61.14 C ATOM 705 NE2 HIS A2055 1.390 -0.523 2.411 1.00 11.35 N ATOM 0 H HIS A2055 0.261 -1.004 6.608 1.00 54.22 H new ATOM 0 HA HIS A2055 1.885 -3.056 5.546 1.00 54.31 H new ATOM 0 HB2 HIS A2055 2.469 -0.267 6.521 1.00 42.31 H new ATOM 0 HB3 HIS A2055 3.677 -1.307 5.794 1.00 42.31 H new ATOM 0 HD2 HIS A2055 1.389 -2.412 3.428 1.00 73.21 H new ATOM 0 HE1 HIS A2055 1.751 1.614 2.163 1.00 61.14 H new ATOM 0 HE2 HIS A2055 0.982 -0.776 1.511 1.00 11.35 H new ATOM 714 N ALA A2056 2.452 -2.255 8.689 1.00 1.33 N ATOM 715 CA ALA A2056 3.054 -2.731 9.921 1.00 43.03 C ATOM 716 C ALA A2056 2.597 -4.168 10.186 1.00 72.24 C ATOM 717 O ALA A2056 3.420 -5.051 10.418 1.00 22.41 O ATOM 718 CB ALA A2056 2.692 -1.784 11.067 1.00 3.42 C ATOM 0 H ALA A2056 1.961 -1.365 8.771 1.00 1.33 H new ATOM 0 HA ALA A2056 4.141 -2.740 9.837 1.00 43.03 H new ATOM 0 HB1 ALA A2056 3.144 -2.142 11.992 1.00 3.42 H new ATOM 0 HB2 ALA A2056 3.065 -0.784 10.844 1.00 3.42 H new ATOM 0 HB3 ALA A2056 1.609 -1.750 11.183 1.00 3.42 H new ATOM 724 N MET A2057 1.286 -4.355 10.141 1.00 34.43 N ATOM 725 CA MET A2057 0.709 -5.668 10.374 1.00 72.11 C ATOM 726 C MET A2057 1.385 -6.727 9.500 1.00 41.42 C ATOM 727 O MET A2057 1.598 -7.856 9.939 1.00 11.34 O ATOM 728 CB MET A2057 -0.789 -5.630 10.065 1.00 43.30 C ATOM 729 CG MET A2057 -1.149 -6.642 8.975 1.00 21.53 C ATOM 730 SD MET A2057 -2.915 -6.663 8.720 1.00 2.35 S ATOM 731 CE MET A2057 -2.971 -7.043 6.975 1.00 62.42 C ATOM 0 H MET A2057 0.607 -3.619 9.947 1.00 34.43 H new ATOM 0 HA MET A2057 0.866 -5.933 11.420 1.00 72.11 H new ATOM 0 HB2 MET A2057 -1.356 -5.847 10.970 1.00 43.30 H new ATOM 0 HB3 MET A2057 -1.073 -4.628 9.744 1.00 43.30 H new ATOM 0 HG2 MET A2057 -0.642 -6.383 8.045 1.00 21.53 H new ATOM 0 HG3 MET A2057 -0.803 -7.635 9.261 1.00 21.53 H new ATOM 0 HE1 MET A2057 -4.002 -7.234 6.677 1.00 62.42 H new ATOM 0 HE2 MET A2057 -2.579 -6.200 6.406 1.00 62.42 H new ATOM 0 HE3 MET A2057 -2.366 -7.927 6.776 1.00 62.42 H new ATOM 741 N MET A2058 1.705 -6.323 8.279 1.00 55.52 N ATOM 742 CA MET A2058 2.353 -7.222 7.339 1.00 53.14 C ATOM 743 C MET A2058 3.776 -7.555 7.791 1.00 64.15 C ATOM 744 O MET A2058 4.266 -8.657 7.550 1.00 61.20 O ATOM 745 CB MET A2058 2.395 -6.572 5.955 1.00 74.32 C ATOM 746 CG MET A2058 0.985 -6.238 5.463 1.00 44.22 C ATOM 747 SD MET A2058 0.551 -7.297 4.093 1.00 71.20 S ATOM 748 CE MET A2058 -1.118 -7.731 4.554 1.00 32.42 C ATOM 0 H MET A2058 1.528 -5.385 7.919 1.00 55.52 H new ATOM 0 HA MET A2058 1.779 -8.148 7.297 1.00 53.14 H new ATOM 0 HB2 MET A2058 2.995 -5.663 5.994 1.00 74.32 H new ATOM 0 HB3 MET A2058 2.881 -7.244 5.248 1.00 74.32 H new ATOM 0 HG2 MET A2058 0.268 -6.366 6.274 1.00 44.22 H new ATOM 0 HG3 MET A2058 0.936 -5.193 5.156 1.00 44.22 H new ATOM 0 HE1 MET A2058 -1.643 -8.131 3.686 1.00 32.42 H new ATOM 0 HE2 MET A2058 -1.094 -8.483 5.342 1.00 32.42 H new ATOM 0 HE3 MET A2058 -1.638 -6.844 4.915 1.00 32.42 H new ATOM 758 N GLU A2059 4.400 -6.582 8.437 1.00 71.34 N ATOM 759 CA GLU A2059 5.757 -6.757 8.925 1.00 30.41 C ATOM 760 C GLU A2059 5.758 -7.596 10.204 1.00 35.42 C ATOM 761 O GLU A2059 6.316 -8.692 10.232 1.00 41.11 O ATOM 762 CB GLU A2059 6.435 -5.406 9.158 1.00 31.11 C ATOM 763 CG GLU A2059 5.983 -4.379 8.116 1.00 74.33 C ATOM 764 CD GLU A2059 7.077 -3.343 7.857 1.00 10.11 C ATOM 765 OE1 GLU A2059 7.802 -3.444 6.856 1.00 1.11 O ATOM 766 OE2 GLU A2059 7.162 -2.404 8.739 1.00 24.23 O ATOM 0 H GLU A2059 3.991 -5.669 8.634 1.00 71.34 H new ATOM 0 HA GLU A2059 6.329 -7.288 8.164 1.00 30.41 H new ATOM 0 HB2 GLU A2059 6.198 -5.043 10.158 1.00 31.11 H new ATOM 0 HB3 GLU A2059 7.517 -5.525 9.111 1.00 31.11 H new ATOM 0 HG2 GLU A2059 5.731 -4.887 7.185 1.00 74.33 H new ATOM 0 HG3 GLU A2059 5.078 -3.879 8.462 1.00 74.33 H new ATOM 774 N ARG A2060 5.124 -7.052 11.232 1.00 2.10 N ATOM 775 CA ARG A2060 5.044 -7.739 12.512 1.00 10.43 C ATOM 776 C ARG A2060 4.078 -8.923 12.419 1.00 3.42 C ATOM 777 O ARG A2060 4.039 -9.766 13.312 1.00 55.13 O ATOM 778 CB ARG A2060 4.573 -6.791 13.616 1.00 43.42 C ATOM 779 CG ARG A2060 3.145 -6.308 13.351 1.00 72.42 C ATOM 780 CD ARG A2060 2.663 -5.382 14.472 1.00 5.45 C ATOM 781 NE ARG A2060 2.095 -6.180 15.579 1.00 74.30 N ATOM 782 CZ ARG A2060 2.811 -6.638 16.627 1.00 12.54 C ATOM 783 NH1 ARG A2060 4.133 -6.379 16.718 1.00 14.11 N ATOM 784 NH2 ARG A2060 2.201 -7.342 17.562 1.00 10.40 N ATOM 0 H ARG A2060 4.661 -6.144 11.206 1.00 2.10 H new ATOM 0 HA ARG A2060 6.043 -8.099 12.759 1.00 10.43 H new ATOM 0 HB2 ARG A2060 4.616 -7.299 14.579 1.00 43.42 H new ATOM 0 HB3 ARG A2060 5.245 -5.935 13.677 1.00 43.42 H new ATOM 0 HG2 ARG A2060 3.106 -5.782 12.397 1.00 72.42 H new ATOM 0 HG3 ARG A2060 2.476 -7.165 13.269 1.00 72.42 H new ATOM 0 HD2 ARG A2060 3.493 -4.777 14.837 1.00 5.45 H new ATOM 0 HD3 ARG A2060 1.912 -4.692 14.087 1.00 5.45 H new ATOM 0 HE ARG A2060 1.099 -6.398 15.549 1.00 74.30 H new ATOM 0 HH11 ARG A2060 4.597 -5.834 15.992 1.00 14.11 H new ATOM 0 HH12 ARG A2060 4.668 -6.729 17.513 1.00 14.11 H new ATOM 0 HH21 ARG A2060 1.202 -7.533 17.486 1.00 10.40 H new ATOM 0 HH22 ARG A2060 2.729 -7.695 18.360 1.00 10.40 H new ATOM 796 N GLY A2061 3.326 -8.949 11.329 1.00 53.30 N ATOM 797 CA GLY A2061 2.365 -10.016 11.108 1.00 13.42 C ATOM 798 C GLY A2061 2.608 -10.701 9.761 1.00 33.30 C ATOM 799 O GLY A2061 1.820 -10.544 8.830 1.00 34.33 O ATOM 0 H GLY A2061 3.363 -8.248 10.589 1.00 53.30 H new ATOM 0 HA2 GLY A2061 2.438 -10.749 11.911 1.00 13.42 H new ATOM 0 HA3 GLY A2061 1.353 -9.611 11.137 1.00 13.42 H new ATOM 803 N PRO A2062 3.729 -11.468 9.702 1.00 12.11 N ATOM 804 CA PRO A2062 4.086 -12.180 8.486 1.00 13.30 C ATOM 805 C PRO A2062 3.194 -13.407 8.288 1.00 42.30 C ATOM 806 O PRO A2062 2.127 -13.507 8.889 1.00 62.42 O ATOM 807 CB PRO A2062 5.554 -12.533 8.653 1.00 3.13 C ATOM 808 CG PRO A2062 5.845 -12.418 10.141 1.00 65.52 C ATOM 809 CD PRO A2062 4.685 -11.677 10.786 1.00 32.11 C ATOM 0 HA PRO A2062 3.935 -11.581 7.588 1.00 13.30 H new ATOM 0 HB2 PRO A2062 5.756 -13.542 8.292 1.00 3.13 H new ATOM 0 HB3 PRO A2062 6.186 -11.856 8.078 1.00 3.13 H new ATOM 0 HG2 PRO A2062 5.961 -13.407 10.585 1.00 65.52 H new ATOM 0 HG3 PRO A2062 6.780 -11.883 10.307 1.00 65.52 H new ATOM 0 HD2 PRO A2062 4.245 -12.259 11.595 1.00 32.11 H new ATOM 0 HD3 PRO A2062 5.010 -10.729 11.215 1.00 32.11 H new ATOM 817 N GLN A2063 3.667 -14.310 7.443 1.00 22.13 N ATOM 818 CA GLN A2063 2.926 -15.529 7.160 1.00 42.22 C ATOM 819 C GLN A2063 3.889 -16.700 6.951 1.00 41.14 C ATOM 820 O GLN A2063 4.160 -17.457 7.883 1.00 61.31 O ATOM 821 CB GLN A2063 2.017 -15.346 5.942 1.00 13.00 C ATOM 822 CG GLN A2063 0.543 -15.469 6.335 1.00 61.45 C ATOM 823 CD GLN A2063 -0.132 -14.096 6.364 1.00 74.53 C ATOM 824 OE1 GLN A2063 0.000 -13.332 7.306 1.00 55.40 O ATOM 825 NE2 GLN A2063 -0.862 -13.827 5.287 1.00 72.32 N ATOM 0 H GLN A2063 4.553 -14.223 6.945 1.00 22.13 H new ATOM 0 HA GLN A2063 2.292 -15.753 8.018 1.00 42.22 H new ATOM 0 HB2 GLN A2063 2.197 -14.369 5.493 1.00 13.00 H new ATOM 0 HB3 GLN A2063 2.260 -16.094 5.187 1.00 13.00 H new ATOM 0 HG2 GLN A2063 0.027 -16.117 5.627 1.00 61.45 H new ATOM 0 HG3 GLN A2063 0.462 -15.939 7.315 1.00 61.45 H new ATOM 0 HE21 GLN A2063 -0.931 -14.511 4.533 1.00 72.32 H new ATOM 0 HE22 GLN A2063 -1.354 -12.936 5.214 1.00 72.32 H new ATOM 834 N THR A2064 4.379 -16.811 5.727 1.00 5.24 N ATOM 835 CA THR A2064 5.307 -17.878 5.387 1.00 22.31 C ATOM 836 C THR A2064 6.223 -17.443 4.241 1.00 4.32 C ATOM 837 O THR A2064 6.250 -16.269 3.874 1.00 34.43 O ATOM 838 CB THR A2064 4.489 -19.132 5.068 1.00 75.20 C ATOM 839 OG1 THR A2064 3.797 -18.800 3.867 1.00 14.52 O ATOM 840 CG2 THR A2064 3.374 -19.377 6.087 1.00 3.24 C ATOM 0 H THR A2064 4.152 -16.181 4.958 1.00 5.24 H new ATOM 0 HA THR A2064 5.969 -18.107 6.222 1.00 22.31 H new ATOM 0 HB THR A2064 5.149 -19.999 5.037 1.00 75.20 H new ATOM 0 HG1 THR A2064 3.243 -19.559 3.588 1.00 14.52 H new ATOM 0 HG21 THR A2064 2.824 -20.278 5.815 1.00 3.24 H new ATOM 0 HG22 THR A2064 3.809 -19.503 7.079 1.00 3.24 H new ATOM 0 HG23 THR A2064 2.694 -18.525 6.094 1.00 3.24 H new ATOM 848 N LEU A2065 6.950 -18.412 3.707 1.00 15.13 N ATOM 849 CA LEU A2065 7.867 -18.145 2.610 1.00 41.25 C ATOM 850 C LEU A2065 7.139 -17.338 1.532 1.00 10.43 C ATOM 851 O LEU A2065 7.757 -16.540 0.828 1.00 43.42 O ATOM 852 CB LEU A2065 8.481 -19.447 2.095 1.00 70.32 C ATOM 853 CG LEU A2065 9.988 -19.604 2.299 1.00 13.05 C ATOM 854 CD1 LEU A2065 10.316 -20.934 2.980 1.00 25.20 C ATOM 855 CD2 LEU A2065 10.741 -19.435 0.978 1.00 24.32 C ATOM 0 H LEU A2065 6.924 -19.385 4.013 1.00 15.13 H new ATOM 0 HA LEU A2065 8.706 -17.540 2.952 1.00 41.25 H new ATOM 0 HB2 LEU A2065 7.979 -20.281 2.586 1.00 70.32 H new ATOM 0 HB3 LEU A2065 8.268 -19.529 1.029 1.00 70.32 H new ATOM 0 HG LEU A2065 10.325 -18.811 2.966 1.00 13.05 H new ATOM 0 HD11 LEU A2065 11.395 -21.019 3.112 1.00 25.20 H new ATOM 0 HD12 LEU A2065 9.827 -20.975 3.953 1.00 25.20 H new ATOM 0 HD13 LEU A2065 9.961 -21.757 2.360 1.00 25.20 H new ATOM 0 HD21 LEU A2065 11.811 -19.551 1.152 1.00 24.32 H new ATOM 0 HD22 LEU A2065 10.404 -20.190 0.268 1.00 24.32 H new ATOM 0 HD23 LEU A2065 10.545 -18.443 0.572 1.00 24.32 H new ATOM 867 N LYS A2066 5.839 -17.575 1.435 1.00 53.22 N ATOM 868 CA LYS A2066 5.023 -16.881 0.455 1.00 2.45 C ATOM 869 C LYS A2066 5.041 -15.379 0.753 1.00 2.04 C ATOM 870 O LYS A2066 5.348 -14.572 -0.124 1.00 53.14 O ATOM 871 CB LYS A2066 3.617 -17.481 0.405 1.00 73.32 C ATOM 872 CG LYS A2066 3.353 -18.152 -0.944 1.00 53.04 C ATOM 873 CD LYS A2066 1.881 -18.027 -1.341 1.00 53.41 C ATOM 874 CE LYS A2066 1.576 -18.859 -2.588 1.00 12.44 C ATOM 875 NZ LYS A2066 0.647 -19.962 -2.261 1.00 61.03 N ATOM 0 H LYS A2066 5.331 -18.239 2.020 1.00 53.22 H new ATOM 0 HA LYS A2066 5.436 -17.013 -0.545 1.00 2.45 H new ATOM 0 HB2 LYS A2066 3.501 -18.210 1.207 1.00 73.32 H new ATOM 0 HB3 LYS A2066 2.878 -16.698 0.576 1.00 73.32 H new ATOM 0 HG2 LYS A2066 3.980 -17.695 -1.710 1.00 53.04 H new ATOM 0 HG3 LYS A2066 3.631 -19.205 -0.891 1.00 53.04 H new ATOM 0 HD2 LYS A2066 1.249 -18.357 -0.516 1.00 53.41 H new ATOM 0 HD3 LYS A2066 1.639 -16.981 -1.529 1.00 53.41 H new ATOM 0 HE2 LYS A2066 1.139 -18.224 -3.358 1.00 12.44 H new ATOM 0 HE3 LYS A2066 2.501 -19.264 -2.997 1.00 12.44 H new ATOM 0 HZ1 LYS A2066 0.451 -20.516 -3.119 1.00 61.03 H new ATOM 0 HZ2 LYS A2066 1.078 -20.577 -1.542 1.00 61.03 H new ATOM 0 HZ3 LYS A2066 -0.242 -19.569 -1.892 1.00 61.03 H new ATOM 888 N GLU A2067 4.708 -15.052 1.993 1.00 64.12 N ATOM 889 CA GLU A2067 4.681 -13.663 2.417 1.00 74.35 C ATOM 890 C GLU A2067 6.058 -13.023 2.226 1.00 55.45 C ATOM 891 O GLU A2067 6.158 -11.841 1.898 1.00 23.04 O ATOM 892 CB GLU A2067 4.217 -13.542 3.871 1.00 51.41 C ATOM 893 CG GLU A2067 4.663 -12.211 4.480 1.00 40.21 C ATOM 894 CD GLU A2067 6.125 -12.274 4.926 1.00 72.41 C ATOM 895 OE1 GLU A2067 6.578 -13.317 5.420 1.00 41.13 O ATOM 896 OE2 GLU A2067 6.796 -11.189 4.744 1.00 12.53 O ATOM 0 H GLU A2067 4.455 -15.725 2.717 1.00 64.12 H new ATOM 0 HA GLU A2067 3.963 -13.128 1.795 1.00 74.35 H new ATOM 0 HB2 GLU A2067 3.131 -13.622 3.918 1.00 51.41 H new ATOM 0 HB3 GLU A2067 4.623 -14.368 4.456 1.00 51.41 H new ATOM 0 HG2 GLU A2067 4.536 -11.412 3.749 1.00 40.21 H new ATOM 0 HG3 GLU A2067 4.029 -11.967 5.333 1.00 40.21 H new ATOM 904 N THR A2068 7.086 -13.831 2.442 1.00 45.43 N ATOM 905 CA THR A2068 8.451 -13.358 2.298 1.00 0.31 C ATOM 906 C THR A2068 8.663 -12.754 0.908 1.00 4.13 C ATOM 907 O THR A2068 9.339 -11.736 0.766 1.00 4.11 O ATOM 908 CB THR A2068 9.391 -14.526 2.601 1.00 15.33 C ATOM 909 OG1 THR A2068 9.679 -14.389 3.990 1.00 0.23 O ATOM 910 CG2 THR A2068 10.754 -14.376 1.922 1.00 45.22 C ATOM 0 H THR A2068 7.000 -14.810 2.716 1.00 45.43 H new ATOM 0 HA THR A2068 8.667 -12.556 3.004 1.00 0.31 H new ATOM 0 HB THR A2068 8.926 -15.457 2.277 1.00 15.33 H new ATOM 0 HG1 THR A2068 10.282 -15.108 4.272 1.00 0.23 H new ATOM 0 HG21 THR A2068 11.381 -15.232 2.171 1.00 45.22 H new ATOM 0 HG22 THR A2068 10.619 -14.327 0.842 1.00 45.22 H new ATOM 0 HG23 THR A2068 11.235 -13.461 2.269 1.00 45.22 H new ATOM 918 N SER A2069 8.074 -13.406 -0.083 1.00 33.51 N ATOM 919 CA SER A2069 8.189 -12.948 -1.456 1.00 62.34 C ATOM 920 C SER A2069 7.312 -11.712 -1.669 1.00 30.54 C ATOM 921 O SER A2069 7.709 -10.777 -2.364 1.00 4.23 O ATOM 922 CB SER A2069 7.799 -14.052 -2.441 1.00 43.21 C ATOM 923 OG SER A2069 8.915 -14.511 -3.197 1.00 3.30 O ATOM 0 H SER A2069 7.514 -14.250 0.039 1.00 33.51 H new ATOM 0 HA SER A2069 9.230 -12.685 -1.643 1.00 62.34 H new ATOM 0 HB2 SER A2069 7.363 -14.888 -1.894 1.00 43.21 H new ATOM 0 HB3 SER A2069 7.031 -13.679 -3.118 1.00 43.21 H new ATOM 0 HG SER A2069 8.625 -15.216 -3.813 1.00 3.30 H new ATOM 929 N PHE A2070 6.136 -11.747 -1.059 1.00 14.24 N ATOM 930 CA PHE A2070 5.201 -10.641 -1.174 1.00 21.44 C ATOM 931 C PHE A2070 5.766 -9.375 -0.529 1.00 21.41 C ATOM 932 O PHE A2070 5.824 -8.324 -1.165 1.00 73.22 O ATOM 933 CB PHE A2070 3.929 -11.053 -0.431 1.00 31.41 C ATOM 934 CG PHE A2070 2.635 -10.611 -1.118 1.00 33.31 C ATOM 935 CD1 PHE A2070 2.185 -11.279 -2.214 1.00 34.30 C ATOM 936 CD2 PHE A2070 1.935 -9.551 -0.632 1.00 31.33 C ATOM 937 CE1 PHE A2070 0.983 -10.869 -2.852 1.00 34.25 C ATOM 938 CE2 PHE A2070 0.735 -9.140 -1.270 1.00 34.34 C ATOM 939 CZ PHE A2070 0.285 -9.809 -2.365 1.00 23.02 C ATOM 0 H PHE A2070 5.810 -12.524 -0.484 1.00 14.24 H new ATOM 0 HA PHE A2070 5.008 -10.425 -2.225 1.00 21.44 H new ATOM 0 HB2 PHE A2070 3.919 -12.138 -0.323 1.00 31.41 H new ATOM 0 HB3 PHE A2070 3.956 -10.633 0.575 1.00 31.41 H new ATOM 0 HD1 PHE A2070 2.741 -12.121 -2.599 1.00 34.30 H new ATOM 0 HD2 PHE A2070 2.292 -9.022 0.239 1.00 31.33 H new ATOM 0 HE1 PHE A2070 0.625 -11.399 -3.722 1.00 34.25 H new ATOM 0 HE2 PHE A2070 0.180 -8.297 -0.886 1.00 34.34 H new ATOM 0 HZ PHE A2070 -0.629 -9.498 -2.849 1.00 23.02 H new ATOM 949 N ASN A2071 6.169 -9.517 0.725 1.00 13.11 N ATOM 950 CA ASN A2071 6.728 -8.396 1.463 1.00 21.35 C ATOM 951 C ASN A2071 7.976 -7.886 0.739 1.00 43.31 C ATOM 952 O ASN A2071 8.295 -6.701 0.807 1.00 1.20 O ATOM 953 CB ASN A2071 7.142 -8.820 2.875 1.00 75.34 C ATOM 954 CG ASN A2071 7.096 -7.630 3.836 1.00 12.01 C ATOM 955 OD1 ASN A2071 6.169 -6.837 3.843 1.00 25.32 O ATOM 956 ND2 ASN A2071 8.148 -7.550 4.648 1.00 4.15 N ATOM 0 H ASN A2071 6.120 -10.391 1.249 1.00 13.11 H new ATOM 0 HA ASN A2071 5.966 -7.619 1.527 1.00 21.35 H new ATOM 0 HB2 ASN A2071 6.478 -9.607 3.232 1.00 75.34 H new ATOM 0 HB3 ASN A2071 8.149 -9.237 2.854 1.00 75.34 H new ATOM 0 HD21 ASN A2071 8.211 -6.792 5.327 1.00 4.15 H new ATOM 0 HD22 ASN A2071 8.891 -8.247 4.591 1.00 4.15 H new ATOM 963 N GLN A2072 8.645 -8.806 0.062 1.00 10.22 N ATOM 964 CA GLN A2072 9.851 -8.465 -0.675 1.00 53.31 C ATOM 965 C GLN A2072 9.489 -7.799 -2.005 1.00 3.51 C ATOM 966 O GLN A2072 10.002 -6.729 -2.327 1.00 70.43 O ATOM 967 CB GLN A2072 10.725 -9.701 -0.900 1.00 43.02 C ATOM 968 CG GLN A2072 11.649 -9.942 0.295 1.00 33.42 C ATOM 969 CD GLN A2072 12.809 -10.865 -0.086 1.00 43.35 C ATOM 970 OE1 GLN A2072 12.982 -11.246 -1.233 1.00 45.15 O ATOM 971 NE2 GLN A2072 13.591 -11.201 0.935 1.00 73.20 N ATOM 0 H GLN A2072 8.376 -9.788 0.008 1.00 10.22 H new ATOM 0 HA GLN A2072 10.428 -7.757 -0.081 1.00 53.31 H new ATOM 0 HB2 GLN A2072 10.092 -10.575 -1.058 1.00 43.02 H new ATOM 0 HB3 GLN A2072 11.320 -9.571 -1.804 1.00 43.02 H new ATOM 0 HG2 GLN A2072 12.040 -8.990 0.655 1.00 33.42 H new ATOM 0 HG3 GLN A2072 11.082 -10.384 1.114 1.00 33.42 H new ATOM 0 HE21 GLN A2072 13.389 -10.847 1.870 1.00 73.20 H new ATOM 0 HE22 GLN A2072 14.393 -11.813 0.783 1.00 73.20 H new ATOM 980 N ALA A2073 8.610 -8.461 -2.741 1.00 24.31 N ATOM 981 CA ALA A2073 8.173 -7.948 -4.029 1.00 52.22 C ATOM 982 C ALA A2073 7.913 -6.444 -3.911 1.00 24.02 C ATOM 983 O ALA A2073 8.426 -5.659 -4.708 1.00 35.03 O ATOM 984 CB ALA A2073 6.936 -8.718 -4.494 1.00 63.53 C ATOM 0 H ALA A2073 8.188 -9.349 -2.470 1.00 24.31 H new ATOM 0 HA ALA A2073 8.948 -8.092 -4.782 1.00 52.22 H new ATOM 0 HB1 ALA A2073 6.609 -8.333 -5.460 1.00 63.53 H new ATOM 0 HB2 ALA A2073 7.181 -9.776 -4.589 1.00 63.53 H new ATOM 0 HB3 ALA A2073 6.135 -8.595 -3.765 1.00 63.53 H new ATOM 990 N TYR A2074 7.118 -6.090 -2.913 1.00 22.54 N ATOM 991 CA TYR A2074 6.784 -4.695 -2.683 1.00 71.24 C ATOM 992 C TYR A2074 7.712 -4.076 -1.635 1.00 5.03 C ATOM 993 O TYR A2074 7.754 -2.856 -1.482 1.00 33.13 O ATOM 994 CB TYR A2074 5.353 -4.688 -2.145 1.00 73.14 C ATOM 995 CG TYR A2074 4.354 -5.449 -3.020 1.00 10.14 C ATOM 996 CD1 TYR A2074 4.270 -5.174 -4.370 1.00 72.05 C ATOM 997 CD2 TYR A2074 3.539 -6.411 -2.461 1.00 4.32 C ATOM 998 CE1 TYR A2074 3.332 -5.890 -5.194 1.00 62.04 C ATOM 999 CE2 TYR A2074 2.600 -7.128 -3.286 1.00 1.04 C ATOM 1000 CZ TYR A2074 2.542 -6.831 -4.611 1.00 2.22 C ATOM 1001 OH TYR A2074 1.656 -7.509 -5.390 1.00 51.42 O ATOM 0 H TYR A2074 6.695 -6.744 -2.255 1.00 22.54 H new ATOM 0 HA TYR A2074 6.888 -4.118 -3.602 1.00 71.24 H new ATOM 0 HB2 TYR A2074 5.350 -5.123 -1.146 1.00 73.14 H new ATOM 0 HB3 TYR A2074 5.019 -3.655 -2.044 1.00 73.14 H new ATOM 0 HD1 TYR A2074 4.908 -4.421 -4.808 1.00 72.05 H new ATOM 0 HD2 TYR A2074 3.605 -6.627 -1.405 1.00 4.32 H new ATOM 0 HE1 TYR A2074 3.257 -5.685 -6.252 1.00 62.04 H new ATOM 0 HE2 TYR A2074 1.957 -7.884 -2.861 1.00 1.04 H new ATOM 0 HH TYR A2074 1.336 -8.300 -4.908 1.00 51.42 H new ATOM 1011 N GLY A2075 8.433 -4.944 -0.942 1.00 11.00 N ATOM 1012 CA GLY A2075 9.357 -4.498 0.087 1.00 13.15 C ATOM 1013 C GLY A2075 10.126 -3.256 -0.369 1.00 53.44 C ATOM 1014 O GLY A2075 10.290 -2.308 0.397 1.00 54.32 O ATOM 0 H GLY A2075 8.396 -5.955 -1.073 1.00 11.00 H new ATOM 0 HA2 GLY A2075 8.808 -4.275 1.002 1.00 13.15 H new ATOM 0 HA3 GLY A2075 10.058 -5.298 0.323 1.00 13.15 H new ATOM 1018 N ARG A2076 10.575 -3.301 -1.613 1.00 5.24 N ATOM 1019 CA ARG A2076 11.322 -2.191 -2.181 1.00 21.31 C ATOM 1020 C ARG A2076 10.375 -1.049 -2.554 1.00 1.42 C ATOM 1021 O ARG A2076 10.643 0.111 -2.247 1.00 50.11 O ATOM 1022 CB ARG A2076 12.099 -2.628 -3.426 1.00 40.01 C ATOM 1023 CG ARG A2076 12.929 -1.473 -3.987 1.00 73.13 C ATOM 1024 CD ARG A2076 12.229 -0.824 -5.182 1.00 44.14 C ATOM 1025 NE ARG A2076 12.993 -1.089 -6.421 1.00 2.30 N ATOM 1026 CZ ARG A2076 14.215 -0.580 -6.682 1.00 53.41 C ATOM 1027 NH1 ARG A2076 14.823 0.230 -5.788 1.00 35.12 N ATOM 1028 NH2 ARG A2076 14.807 -0.884 -7.822 1.00 53.53 N ATOM 0 H ARG A2076 10.436 -4.089 -2.245 1.00 5.24 H new ATOM 0 HA ARG A2076 12.030 -1.848 -1.427 1.00 21.31 H new ATOM 0 HB2 ARG A2076 12.753 -3.463 -3.176 1.00 40.01 H new ATOM 0 HB3 ARG A2076 11.404 -2.984 -4.186 1.00 40.01 H new ATOM 0 HG2 ARG A2076 13.094 -0.728 -3.209 1.00 73.13 H new ATOM 0 HG3 ARG A2076 13.910 -1.839 -4.291 1.00 73.13 H new ATOM 0 HD2 ARG A2076 11.217 -1.217 -5.278 1.00 44.14 H new ATOM 0 HD3 ARG A2076 12.140 0.251 -5.022 1.00 44.14 H new ATOM 0 HE ARG A2076 12.569 -1.695 -7.123 1.00 2.30 H new ATOM 0 HH11 ARG A2076 14.358 0.460 -4.910 1.00 35.12 H new ATOM 0 HH12 ARG A2076 15.747 0.612 -5.991 1.00 35.12 H new ATOM 0 HH21 ARG A2076 14.341 -1.496 -8.492 1.00 53.53 H new ATOM 0 HH22 ARG A2076 15.731 -0.507 -8.033 1.00 53.53 H new ATOM 1040 N ASP A2077 9.285 -1.418 -3.211 1.00 11.33 N ATOM 1041 CA ASP A2077 8.297 -0.439 -3.630 1.00 12.02 C ATOM 1042 C ASP A2077 7.784 0.319 -2.404 1.00 13.31 C ATOM 1043 O ASP A2077 7.905 1.541 -2.329 1.00 70.00 O ATOM 1044 CB ASP A2077 7.100 -1.116 -4.300 1.00 53.43 C ATOM 1045 CG ASP A2077 7.391 -1.737 -5.668 1.00 42.12 C ATOM 1046 OD1 ASP A2077 6.753 -1.391 -6.674 1.00 10.43 O ATOM 1047 OD2 ASP A2077 8.329 -2.622 -5.680 1.00 34.12 O ATOM 0 H ASP A2077 9.065 -2.381 -3.463 1.00 11.33 H new ATOM 0 HA ASP A2077 8.774 0.237 -4.340 1.00 12.02 H new ATOM 0 HB2 ASP A2077 6.724 -1.895 -3.637 1.00 53.43 H new ATOM 0 HB3 ASP A2077 6.303 -0.381 -4.413 1.00 53.43 H new ATOM 1053 N LEU A2078 7.222 -0.437 -1.473 1.00 21.14 N ATOM 1054 CA LEU A2078 6.692 0.146 -0.252 1.00 51.24 C ATOM 1055 C LEU A2078 7.764 1.025 0.395 1.00 73.00 C ATOM 1056 O LEU A2078 7.463 2.098 0.916 1.00 3.13 O ATOM 1057 CB LEU A2078 6.149 -0.944 0.672 1.00 72.55 C ATOM 1058 CG LEU A2078 4.853 -1.622 0.219 1.00 61.14 C ATOM 1059 CD1 LEU A2078 4.152 -2.302 1.397 1.00 21.34 C ATOM 1060 CD2 LEU A2078 3.937 -0.629 -0.497 1.00 71.41 C ATOM 0 H LEU A2078 7.122 -1.450 -1.540 1.00 21.14 H new ATOM 0 HA LEU A2078 5.843 0.791 -0.476 1.00 51.24 H new ATOM 0 HB2 LEU A2078 6.916 -1.710 0.787 1.00 72.55 H new ATOM 0 HB3 LEU A2078 5.983 -0.508 1.657 1.00 72.55 H new ATOM 0 HG LEU A2078 5.107 -2.401 -0.500 1.00 61.14 H new ATOM 0 HD11 LEU A2078 3.234 -2.776 1.050 1.00 21.34 H new ATOM 0 HD12 LEU A2078 4.811 -3.057 1.826 1.00 21.34 H new ATOM 0 HD13 LEU A2078 3.911 -1.558 2.156 1.00 21.34 H new ATOM 0 HD21 LEU A2078 3.024 -1.136 -0.808 1.00 71.41 H new ATOM 0 HD22 LEU A2078 3.686 0.188 0.180 1.00 71.41 H new ATOM 0 HD23 LEU A2078 4.447 -0.230 -1.374 1.00 71.41 H new ATOM 1072 N MET A2079 8.995 0.534 0.346 1.00 1.31 N ATOM 1073 CA MET A2079 10.113 1.261 0.922 1.00 42.44 C ATOM 1074 C MET A2079 10.239 2.655 0.303 1.00 32.43 C ATOM 1075 O MET A2079 10.403 3.642 1.018 1.00 70.44 O ATOM 1076 CB MET A2079 11.407 0.478 0.683 1.00 33.31 C ATOM 1077 CG MET A2079 11.857 -0.236 1.958 1.00 22.33 C ATOM 1078 SD MET A2079 12.173 0.956 3.248 1.00 23.12 S ATOM 1079 CE MET A2079 13.839 1.438 2.826 1.00 40.20 C ATOM 0 H MET A2079 9.242 -0.358 -0.084 1.00 1.31 H new ATOM 0 HA MET A2079 9.937 1.374 1.992 1.00 42.44 H new ATOM 0 HB2 MET A2079 11.254 -0.252 -0.112 1.00 33.31 H new ATOM 0 HB3 MET A2079 12.190 1.157 0.346 1.00 33.31 H new ATOM 0 HG2 MET A2079 11.089 -0.939 2.281 1.00 22.33 H new ATOM 0 HG3 MET A2079 12.758 -0.817 1.760 1.00 22.33 H new ATOM 0 HE1 MET A2079 14.193 2.184 3.537 1.00 40.20 H new ATOM 0 HE2 MET A2079 14.490 0.565 2.861 1.00 40.20 H new ATOM 0 HE3 MET A2079 13.852 1.860 1.821 1.00 40.20 H new ATOM 1089 N GLU A2080 10.157 2.691 -1.018 1.00 2.11 N ATOM 1090 CA GLU A2080 10.259 3.948 -1.739 1.00 3.14 C ATOM 1091 C GLU A2080 9.073 4.853 -1.401 1.00 62.24 C ATOM 1092 O GLU A2080 9.258 5.968 -0.915 1.00 71.11 O ATOM 1093 CB GLU A2080 10.353 3.707 -3.248 1.00 41.31 C ATOM 1094 CG GLU A2080 10.483 5.030 -4.007 1.00 62.12 C ATOM 1095 CD GLU A2080 11.094 4.810 -5.392 1.00 75.40 C ATOM 1096 OE1 GLU A2080 10.368 4.495 -6.346 1.00 63.20 O ATOM 1097 OE2 GLU A2080 12.372 4.976 -5.458 1.00 73.44 O ATOM 0 H GLU A2080 10.021 1.870 -1.608 1.00 2.11 H new ATOM 0 HA GLU A2080 11.174 4.451 -1.426 1.00 3.14 H new ATOM 0 HB2 GLU A2080 11.212 3.073 -3.466 1.00 41.31 H new ATOM 0 HB3 GLU A2080 9.467 3.172 -3.591 1.00 41.31 H new ATOM 0 HG2 GLU A2080 9.502 5.493 -4.108 1.00 62.12 H new ATOM 0 HG3 GLU A2080 11.104 5.721 -3.437 1.00 62.12 H new ATOM 1105 N ALA A2081 7.882 4.339 -1.672 1.00 61.43 N ATOM 1106 CA ALA A2081 6.665 5.087 -1.401 1.00 72.50 C ATOM 1107 C ALA A2081 6.673 5.555 0.055 1.00 1.22 C ATOM 1108 O ALA A2081 6.301 6.689 0.349 1.00 53.21 O ATOM 1109 CB ALA A2081 5.449 4.218 -1.728 1.00 44.50 C ATOM 0 H ALA A2081 7.734 3.414 -2.076 1.00 61.43 H new ATOM 0 HA ALA A2081 6.611 5.974 -2.032 1.00 72.50 H new ATOM 0 HB1 ALA A2081 4.536 4.778 -1.525 1.00 44.50 H new ATOM 0 HB2 ALA A2081 5.475 3.937 -2.781 1.00 44.50 H new ATOM 0 HB3 ALA A2081 5.468 3.319 -1.112 1.00 44.50 H new ATOM 1115 N GLN A2082 7.101 4.656 0.931 1.00 50.30 N ATOM 1116 CA GLN A2082 7.161 4.963 2.350 1.00 1.24 C ATOM 1117 C GLN A2082 8.053 6.183 2.592 1.00 3.12 C ATOM 1118 O GLN A2082 7.716 7.055 3.392 1.00 32.05 O ATOM 1119 CB GLN A2082 7.654 3.757 3.151 1.00 25.11 C ATOM 1120 CG GLN A2082 7.782 4.099 4.636 1.00 44.43 C ATOM 1121 CD GLN A2082 6.761 3.322 5.468 1.00 63.21 C ATOM 1122 OE1 GLN A2082 5.775 3.857 5.948 1.00 54.55 O ATOM 1123 NE2 GLN A2082 7.049 2.032 5.612 1.00 10.22 N ATOM 0 H GLN A2082 7.409 3.715 0.685 1.00 50.30 H new ATOM 0 HA GLN A2082 6.154 5.199 2.694 1.00 1.24 H new ATOM 0 HB2 GLN A2082 6.962 2.925 3.024 1.00 25.11 H new ATOM 0 HB3 GLN A2082 8.620 3.430 2.765 1.00 25.11 H new ATOM 0 HG2 GLN A2082 8.790 3.867 4.981 1.00 44.43 H new ATOM 0 HG3 GLN A2082 7.635 5.169 4.780 1.00 44.43 H new ATOM 0 HE21 GLN A2082 7.891 1.647 5.184 1.00 10.22 H new ATOM 0 HE22 GLN A2082 6.428 1.428 6.150 1.00 10.22 H new ATOM 1132 N GLU A2083 9.175 6.205 1.885 1.00 54.14 N ATOM 1133 CA GLU A2083 10.117 7.304 2.013 1.00 5.21 C ATOM 1134 C GLU A2083 9.478 8.610 1.535 1.00 33.34 C ATOM 1135 O GLU A2083 9.715 9.670 2.115 1.00 5.24 O ATOM 1136 CB GLU A2083 11.407 7.011 1.243 1.00 1.31 C ATOM 1137 CG GLU A2083 11.689 8.106 0.211 1.00 35.14 C ATOM 1138 CD GLU A2083 13.010 7.846 -0.517 1.00 71.30 C ATOM 1139 OE1 GLU A2083 13.032 7.107 -1.513 1.00 34.23 O ATOM 1140 OE2 GLU A2083 14.038 8.440 -0.012 1.00 65.15 O ATOM 0 H GLU A2083 9.452 5.480 1.223 1.00 54.14 H new ATOM 0 HA GLU A2083 10.377 7.414 3.066 1.00 5.21 H new ATOM 0 HB2 GLU A2083 12.242 6.939 1.940 1.00 1.31 H new ATOM 0 HB3 GLU A2083 11.325 6.046 0.742 1.00 1.31 H new ATOM 0 HG2 GLU A2083 10.874 8.149 -0.511 1.00 35.14 H new ATOM 0 HG3 GLU A2083 11.727 9.076 0.706 1.00 35.14 H new ATOM 1148 N TRP A2084 8.681 8.492 0.484 1.00 52.54 N ATOM 1149 CA TRP A2084 8.006 9.650 -0.077 1.00 15.12 C ATOM 1150 C TRP A2084 7.019 10.177 0.968 1.00 10.34 C ATOM 1151 O TRP A2084 6.816 11.385 1.084 1.00 4.24 O ATOM 1152 CB TRP A2084 7.336 9.303 -1.409 1.00 72.33 C ATOM 1153 CG TRP A2084 8.314 9.144 -2.574 1.00 32.31 C ATOM 1154 CD1 TRP A2084 8.832 8.010 -3.067 1.00 2.22 C ATOM 1155 CD2 TRP A2084 8.874 10.204 -3.377 1.00 4.02 C ATOM 1156 NE1 TRP A2084 9.680 8.262 -4.125 1.00 43.30 N ATOM 1157 CE2 TRP A2084 9.707 9.637 -4.321 1.00 1.21 C ATOM 1158 CE3 TRP A2084 8.683 11.595 -3.309 1.00 3.44 C ATOM 1159 CZ2 TRP A2084 10.415 10.387 -5.267 1.00 12.51 C ATOM 1160 CZ3 TRP A2084 9.398 12.331 -4.263 1.00 32.33 C ATOM 1161 CH2 TRP A2084 10.240 11.775 -5.219 1.00 41.24 C ATOM 0 H TRP A2084 8.487 7.612 0.006 1.00 52.54 H new ATOM 0 HA TRP A2084 8.723 10.438 -0.307 1.00 15.12 H new ATOM 0 HB2 TRP A2084 6.774 8.377 -1.291 1.00 72.33 H new ATOM 0 HB3 TRP A2084 6.616 10.083 -1.656 1.00 72.33 H new ATOM 0 HD1 TRP A2084 8.613 7.024 -2.684 1.00 2.22 H new ATOM 0 HE1 TRP A2084 10.194 7.566 -4.665 1.00 43.30 H new ATOM 0 HE3 TRP A2084 8.036 12.060 -2.579 1.00 3.44 H new ATOM 0 HZ2 TRP A2084 11.062 9.920 -5.995 1.00 12.51 H new ATOM 0 HZ3 TRP A2084 9.287 13.405 -4.255 1.00 32.33 H new ATOM 0 HH2 TRP A2084 10.757 12.411 -5.922 1.00 41.24 H new ATOM 1172 N CYS A2085 6.435 9.244 1.704 1.00 75.42 N ATOM 1173 CA CYS A2085 5.475 9.598 2.737 1.00 74.03 C ATOM 1174 C CYS A2085 6.200 10.424 3.803 1.00 63.23 C ATOM 1175 O CYS A2085 5.803 11.552 4.094 1.00 0.12 O ATOM 1176 CB CYS A2085 4.803 8.360 3.333 1.00 73.52 C ATOM 1177 SG CYS A2085 4.057 8.772 4.954 1.00 53.12 S ATOM 0 H CYS A2085 6.607 8.243 1.606 1.00 75.42 H new ATOM 0 HA CYS A2085 4.671 10.192 2.302 1.00 74.03 H new ATOM 0 HB2 CYS A2085 4.035 7.990 2.653 1.00 73.52 H new ATOM 0 HB3 CYS A2085 5.535 7.561 3.453 1.00 73.52 H new ATOM 0 HG CYS A2085 2.762 8.797 4.842 1.00 53.12 H new ATOM 1183 N ARG A2086 7.248 9.830 4.355 1.00 52.12 N ATOM 1184 CA ARG A2086 8.031 10.498 5.382 1.00 40.42 C ATOM 1185 C ARG A2086 8.509 11.862 4.880 1.00 35.40 C ATOM 1186 O ARG A2086 8.622 12.807 5.660 1.00 52.23 O ATOM 1187 CB ARG A2086 9.242 9.655 5.783 1.00 13.13 C ATOM 1188 CG ARG A2086 8.909 8.743 6.965 1.00 42.41 C ATOM 1189 CD ARG A2086 8.417 7.376 6.481 1.00 73.44 C ATOM 1190 NE ARG A2086 7.677 6.694 7.565 1.00 65.55 N ATOM 1191 CZ ARG A2086 8.261 6.118 8.635 1.00 34.13 C ATOM 1192 NH1 ARG A2086 9.604 6.138 8.775 1.00 73.10 N ATOM 1193 NH2 ARG A2086 7.502 5.534 9.545 1.00 4.23 N ATOM 0 H ARG A2086 7.573 8.895 4.111 1.00 52.12 H new ATOM 0 HA ARG A2086 7.392 10.633 6.254 1.00 40.42 H new ATOM 0 HB2 ARG A2086 9.567 9.053 4.935 1.00 13.13 H new ATOM 0 HB3 ARG A2086 10.073 10.309 6.047 1.00 13.13 H new ATOM 0 HG2 ARG A2086 9.792 8.615 7.591 1.00 42.41 H new ATOM 0 HG3 ARG A2086 8.144 9.210 7.585 1.00 42.41 H new ATOM 0 HD2 ARG A2086 7.773 7.499 5.611 1.00 73.44 H new ATOM 0 HD3 ARG A2086 9.264 6.766 6.167 1.00 73.44 H new ATOM 0 HE ARG A2086 6.660 6.657 7.499 1.00 65.55 H new ATOM 0 HH11 ARG A2086 10.184 6.591 8.069 1.00 73.10 H new ATOM 0 HH12 ARG A2086 10.039 5.700 9.587 1.00 73.10 H new ATOM 0 HH21 ARG A2086 6.488 5.523 9.433 1.00 4.23 H new ATOM 0 HH22 ARG A2086 7.930 5.094 10.360 1.00 4.23 H new ATOM 1205 N LYS A2087 8.777 11.921 3.585 1.00 23.11 N ATOM 1206 CA LYS A2087 9.240 13.153 2.973 1.00 54.41 C ATOM 1207 C LYS A2087 8.088 14.158 2.922 1.00 42.31 C ATOM 1208 O LYS A2087 8.306 15.365 3.023 1.00 71.13 O ATOM 1209 CB LYS A2087 9.869 12.869 1.606 1.00 13.10 C ATOM 1210 CG LYS A2087 10.086 14.167 0.823 1.00 52.31 C ATOM 1211 CD LYS A2087 9.320 14.142 -0.500 1.00 11.43 C ATOM 1212 CE LYS A2087 10.270 14.322 -1.686 1.00 2.53 C ATOM 1213 NZ LYS A2087 9.967 15.579 -2.407 1.00 23.13 N ATOM 0 H LYS A2087 8.682 11.135 2.942 1.00 23.11 H new ATOM 0 HA LYS A2087 10.029 13.603 3.575 1.00 54.41 H new ATOM 0 HB2 LYS A2087 10.822 12.357 1.739 1.00 13.10 H new ATOM 0 HB3 LYS A2087 9.224 12.200 1.037 1.00 13.10 H new ATOM 0 HG2 LYS A2087 9.758 15.017 1.422 1.00 52.31 H new ATOM 0 HG3 LYS A2087 11.150 14.306 0.629 1.00 52.31 H new ATOM 0 HD2 LYS A2087 8.786 13.197 -0.597 1.00 11.43 H new ATOM 0 HD3 LYS A2087 8.571 14.934 -0.506 1.00 11.43 H new ATOM 0 HE2 LYS A2087 11.302 14.337 -1.334 1.00 2.53 H new ATOM 0 HE3 LYS A2087 10.177 13.475 -2.365 1.00 2.53 H new ATOM 0 HZ1 LYS A2087 10.844 15.970 -2.807 1.00 23.13 H new ATOM 0 HZ2 LYS A2087 9.293 15.385 -3.175 1.00 23.13 H new ATOM 0 HZ3 LYS A2087 9.551 16.266 -1.747 1.00 23.13 H new ATOM 1226 N TYR A2088 6.886 13.624 2.766 1.00 60.42 N ATOM 1227 CA TYR A2088 5.698 14.459 2.701 1.00 11.04 C ATOM 1228 C TYR A2088 5.262 14.901 4.099 1.00 52.44 C ATOM 1229 O TYR A2088 4.915 16.063 4.305 1.00 33.54 O ATOM 1230 CB TYR A2088 4.601 13.584 2.090 1.00 3.13 C ATOM 1231 CG TYR A2088 3.194 14.174 2.213 1.00 31.52 C ATOM 1232 CD1 TYR A2088 2.774 15.146 1.328 1.00 22.11 C ATOM 1233 CD2 TYR A2088 2.347 13.734 3.209 1.00 32.35 C ATOM 1234 CE1 TYR A2088 1.451 15.700 1.445 1.00 71.12 C ATOM 1235 CE2 TYR A2088 1.023 14.289 3.325 1.00 34.32 C ATOM 1236 CZ TYR A2088 0.639 15.246 2.437 1.00 32.34 C ATOM 1237 OH TYR A2088 -0.610 15.768 2.547 1.00 63.44 O ATOM 0 H TYR A2088 6.709 12.623 2.683 1.00 60.42 H new ATOM 0 HA TYR A2088 5.891 15.357 2.115 1.00 11.04 H new ATOM 0 HB2 TYR A2088 4.825 13.422 1.036 1.00 3.13 H new ATOM 0 HB3 TYR A2088 4.618 12.607 2.574 1.00 3.13 H new ATOM 0 HD1 TYR A2088 3.437 15.491 0.549 1.00 22.11 H new ATOM 0 HD2 TYR A2088 2.677 12.974 3.902 1.00 32.35 H new ATOM 0 HE1 TYR A2088 1.110 16.461 0.759 1.00 71.12 H new ATOM 0 HE2 TYR A2088 0.350 13.953 4.100 1.00 34.32 H new ATOM 0 HH TYR A2088 -0.930 16.040 1.662 1.00 63.44 H new ATOM 1247 N MET A2089 5.294 13.951 5.022 1.00 70.40 N ATOM 1248 CA MET A2089 4.905 14.227 6.393 1.00 75.44 C ATOM 1249 C MET A2089 5.868 15.223 7.047 1.00 22.31 C ATOM 1250 O MET A2089 5.450 16.069 7.835 1.00 12.33 O ATOM 1251 CB MET A2089 4.897 12.924 7.196 1.00 43.24 C ATOM 1252 CG MET A2089 3.822 11.967 6.677 1.00 51.15 C ATOM 1253 SD MET A2089 3.179 10.985 8.022 1.00 23.22 S ATOM 1254 CE MET A2089 1.432 11.099 7.683 1.00 42.25 C ATOM 0 H MET A2089 5.584 12.989 4.846 1.00 70.40 H new ATOM 0 HA MET A2089 3.907 14.665 6.385 1.00 75.44 H new ATOM 0 HB2 MET A2089 5.875 12.447 7.132 1.00 43.24 H new ATOM 0 HB3 MET A2089 4.717 13.142 8.249 1.00 43.24 H new ATOM 0 HG2 MET A2089 3.015 12.532 6.210 1.00 51.15 H new ATOM 0 HG3 MET A2089 4.242 11.317 5.909 1.00 51.15 H new ATOM 0 HE1 MET A2089 0.926 11.558 8.532 1.00 42.25 H new ATOM 0 HE2 MET A2089 1.273 11.708 6.793 1.00 42.25 H new ATOM 0 HE3 MET A2089 1.028 10.101 7.517 1.00 42.25 H new ATOM 1264 N LYS A2090 7.136 15.088 6.692 1.00 1.20 N ATOM 1265 CA LYS A2090 8.162 15.964 7.232 1.00 25.41 C ATOM 1266 C LYS A2090 7.961 17.377 6.681 1.00 25.42 C ATOM 1267 O LYS A2090 7.777 18.323 7.444 1.00 44.34 O ATOM 1268 CB LYS A2090 9.554 15.390 6.962 1.00 30.00 C ATOM 1269 CG LYS A2090 10.554 15.853 8.024 1.00 70.32 C ATOM 1270 CD LYS A2090 10.958 17.312 7.799 1.00 4.01 C ATOM 1271 CE LYS A2090 10.912 18.102 9.107 1.00 2.12 C ATOM 1272 NZ LYS A2090 12.243 18.667 9.419 1.00 11.40 N ATOM 0 H LYS A2090 7.477 14.385 6.037 1.00 1.20 H new ATOM 0 HA LYS A2090 8.075 16.029 8.317 1.00 25.41 H new ATOM 0 HB2 LYS A2090 9.507 14.301 6.952 1.00 30.00 H new ATOM 0 HB3 LYS A2090 9.895 15.703 5.975 1.00 30.00 H new ATOM 0 HG2 LYS A2090 10.114 15.743 9.015 1.00 70.32 H new ATOM 0 HG3 LYS A2090 11.440 15.218 7.996 1.00 70.32 H new ATOM 0 HD2 LYS A2090 11.963 17.354 7.380 1.00 4.01 H new ATOM 0 HD3 LYS A2090 10.289 17.770 7.070 1.00 4.01 H new ATOM 0 HE2 LYS A2090 10.179 18.905 9.028 1.00 2.12 H new ATOM 0 HE3 LYS A2090 10.587 17.452 9.920 1.00 2.12 H new ATOM 0 HZ1 LYS A2090 12.193 19.200 10.310 1.00 11.40 H new ATOM 0 HZ2 LYS A2090 12.934 17.896 9.515 1.00 11.40 H new ATOM 0 HZ3 LYS A2090 12.539 19.303 8.651 1.00 11.40 H new ATOM 1285 N SER A2091 8.003 17.474 5.361 1.00 21.24 N ATOM 1286 CA SER A2091 7.828 18.755 4.698 1.00 5.30 C ATOM 1287 C SER A2091 7.987 18.589 3.185 1.00 51.42 C ATOM 1288 O SER A2091 8.938 19.102 2.596 1.00 74.55 O ATOM 1289 CB SER A2091 8.825 19.789 5.225 1.00 63.31 C ATOM 1290 OG SER A2091 8.219 21.062 5.424 1.00 42.44 O ATOM 0 H SER A2091 8.156 16.686 4.732 1.00 21.24 H new ATOM 0 HA SER A2091 6.822 19.116 4.914 1.00 5.30 H new ATOM 0 HB2 SER A2091 9.248 19.438 6.166 1.00 63.31 H new ATOM 0 HB3 SER A2091 9.651 19.887 4.521 1.00 63.31 H new ATOM 0 HG SER A2091 8.888 21.693 5.762 1.00 42.44 H new ATOM 1296 N GLY A2092 7.041 17.869 2.599 1.00 74.31 N ATOM 1297 CA GLY A2092 7.065 17.629 1.167 1.00 41.22 C ATOM 1298 C GLY A2092 5.973 18.432 0.457 1.00 54.02 C ATOM 1299 O GLY A2092 5.597 19.512 0.914 1.00 4.44 O ATOM 0 H GLY A2092 6.254 17.445 3.090 1.00 74.31 H new ATOM 0 HA2 GLY A2092 8.041 17.902 0.765 1.00 41.22 H new ATOM 0 HA3 GLY A2092 6.925 16.566 0.971 1.00 41.22 H new ATOM 1303 N ASN A2093 5.493 17.876 -0.645 1.00 32.31 N ATOM 1304 CA ASN A2093 4.452 18.527 -1.421 1.00 2.34 C ATOM 1305 C ASN A2093 3.509 17.466 -1.995 1.00 53.11 C ATOM 1306 O ASN A2093 3.863 16.290 -2.061 1.00 64.34 O ATOM 1307 CB ASN A2093 5.047 19.313 -2.591 1.00 62.21 C ATOM 1308 CG ASN A2093 4.764 20.810 -2.446 1.00 3.12 C ATOM 1309 OD1 ASN A2093 5.597 21.588 -2.015 1.00 32.14 O ATOM 1310 ND2 ASN A2093 3.542 21.168 -2.831 1.00 44.42 N ATOM 0 H ASN A2093 5.806 16.980 -1.019 1.00 32.31 H new ATOM 0 HA ASN A2093 3.918 19.211 -0.761 1.00 2.34 H new ATOM 0 HB2 ASN A2093 6.123 19.145 -2.637 1.00 62.21 H new ATOM 0 HB3 ASN A2093 4.628 18.949 -3.529 1.00 62.21 H new ATOM 0 HD21 ASN A2093 3.255 22.145 -2.774 1.00 44.42 H new ATOM 0 HD22 ASN A2093 2.892 20.465 -3.183 1.00 44.42 H new ATOM 1317 N VAL A2094 2.330 17.921 -2.394 1.00 2.45 N ATOM 1318 CA VAL A2094 1.337 17.025 -2.959 1.00 45.35 C ATOM 1319 C VAL A2094 1.993 16.151 -4.029 1.00 21.25 C ATOM 1320 O VAL A2094 1.746 14.947 -4.089 1.00 72.11 O ATOM 1321 CB VAL A2094 0.151 17.833 -3.493 1.00 23.41 C ATOM 1322 CG1 VAL A2094 0.312 18.122 -4.987 1.00 75.02 C ATOM 1323 CG2 VAL A2094 -1.171 17.113 -3.213 1.00 12.41 C ATOM 0 H VAL A2094 2.041 18.898 -2.337 1.00 2.45 H new ATOM 0 HA VAL A2094 0.943 16.358 -2.192 1.00 45.35 H new ATOM 0 HB VAL A2094 0.132 18.788 -2.968 1.00 23.41 H new ATOM 0 HG11 VAL A2094 -0.544 18.697 -5.341 1.00 75.02 H new ATOM 0 HG12 VAL A2094 1.226 18.693 -5.151 1.00 75.02 H new ATOM 0 HG13 VAL A2094 0.369 17.182 -5.535 1.00 75.02 H new ATOM 0 HG21 VAL A2094 -1.998 17.707 -3.602 1.00 12.41 H new ATOM 0 HG22 VAL A2094 -1.164 16.138 -3.700 1.00 12.41 H new ATOM 0 HG23 VAL A2094 -1.293 16.981 -2.138 1.00 12.41 H new ATOM 1333 N LYS A2095 2.818 16.789 -4.845 1.00 63.21 N ATOM 1334 CA LYS A2095 3.512 16.083 -5.910 1.00 1.13 C ATOM 1335 C LYS A2095 4.171 14.826 -5.337 1.00 5.34 C ATOM 1336 O LYS A2095 4.063 13.746 -5.915 1.00 51.15 O ATOM 1337 CB LYS A2095 4.491 17.019 -6.625 1.00 62.55 C ATOM 1338 CG LYS A2095 4.644 16.630 -8.098 1.00 71.45 C ATOM 1339 CD LYS A2095 5.457 17.678 -8.858 1.00 52.24 C ATOM 1340 CE LYS A2095 6.952 17.357 -8.805 1.00 73.32 C ATOM 1341 NZ LYS A2095 7.735 18.581 -8.528 1.00 70.33 N ATOM 0 H LYS A2095 3.022 17.787 -4.791 1.00 63.21 H new ATOM 0 HA LYS A2095 2.806 15.755 -6.673 1.00 1.13 H new ATOM 0 HB2 LYS A2095 4.137 18.047 -6.551 1.00 62.55 H new ATOM 0 HB3 LYS A2095 5.462 16.981 -6.132 1.00 62.55 H new ATOM 0 HG2 LYS A2095 5.134 15.659 -8.173 1.00 71.45 H new ATOM 0 HG3 LYS A2095 3.660 16.526 -8.555 1.00 71.45 H new ATOM 0 HD2 LYS A2095 5.126 17.717 -9.896 1.00 52.24 H new ATOM 0 HD3 LYS A2095 5.278 18.664 -8.429 1.00 52.24 H new ATOM 0 HE2 LYS A2095 7.143 16.613 -8.032 1.00 73.32 H new ATOM 0 HE3 LYS A2095 7.270 16.921 -9.752 1.00 73.32 H new ATOM 0 HZ1 LYS A2095 8.747 18.345 -8.495 1.00 70.33 H new ATOM 0 HZ2 LYS A2095 7.566 19.279 -9.280 1.00 70.33 H new ATOM 0 HZ3 LYS A2095 7.443 18.980 -7.613 1.00 70.33 H new ATOM 1354 N ASP A2096 4.839 15.010 -4.207 1.00 14.34 N ATOM 1355 CA ASP A2096 5.515 13.905 -3.550 1.00 22.34 C ATOM 1356 C ASP A2096 4.475 12.901 -3.051 1.00 25.20 C ATOM 1357 O ASP A2096 4.656 11.693 -3.192 1.00 23.21 O ATOM 1358 CB ASP A2096 6.321 14.392 -2.343 1.00 45.41 C ATOM 1359 CG ASP A2096 6.404 13.402 -1.178 1.00 44.22 C ATOM 1360 OD1 ASP A2096 6.227 12.187 -1.359 1.00 52.12 O ATOM 1361 OD2 ASP A2096 6.665 13.930 -0.032 1.00 60.13 O ATOM 0 H ASP A2096 4.926 15.908 -3.730 1.00 14.34 H new ATOM 0 HA ASP A2096 6.190 13.445 -4.272 1.00 22.34 H new ATOM 0 HB2 ASP A2096 7.333 14.628 -2.672 1.00 45.41 H new ATOM 0 HB3 ASP A2096 5.879 15.320 -1.981 1.00 45.41 H new ATOM 1367 N LEU A2097 3.409 13.438 -2.477 1.00 34.43 N ATOM 1368 CA LEU A2097 2.340 12.604 -1.955 1.00 71.43 C ATOM 1369 C LEU A2097 1.745 11.774 -3.094 1.00 22.23 C ATOM 1370 O LEU A2097 1.513 10.575 -2.939 1.00 3.12 O ATOM 1371 CB LEU A2097 1.308 13.455 -1.214 1.00 14.41 C ATOM 1372 CG LEU A2097 -0.006 12.759 -0.857 1.00 72.43 C ATOM 1373 CD1 LEU A2097 0.251 11.378 -0.254 1.00 34.24 C ATOM 1374 CD2 LEU A2097 -0.861 13.636 0.060 1.00 34.13 C ATOM 0 H LEU A2097 3.262 14.441 -2.362 1.00 34.43 H new ATOM 0 HA LEU A2097 2.731 11.903 -1.217 1.00 71.43 H new ATOM 0 HB2 LEU A2097 1.763 13.822 -0.294 1.00 14.41 H new ATOM 0 HB3 LEU A2097 1.079 14.327 -1.826 1.00 14.41 H new ATOM 0 HG LEU A2097 -0.572 12.608 -1.776 1.00 72.43 H new ATOM 0 HD11 LEU A2097 -0.700 10.905 -0.009 1.00 34.24 H new ATOM 0 HD12 LEU A2097 0.788 10.761 -0.974 1.00 34.24 H new ATOM 0 HD13 LEU A2097 0.848 11.482 0.652 1.00 34.24 H new ATOM 0 HD21 LEU A2097 -1.789 13.117 0.298 1.00 34.13 H new ATOM 0 HD22 LEU A2097 -0.314 13.842 0.980 1.00 34.13 H new ATOM 0 HD23 LEU A2097 -1.089 14.575 -0.444 1.00 34.13 H new ATOM 1386 N THR A2098 1.516 12.443 -4.215 1.00 41.13 N ATOM 1387 CA THR A2098 0.953 11.781 -5.380 1.00 5.24 C ATOM 1388 C THR A2098 1.863 10.639 -5.838 1.00 72.42 C ATOM 1389 O THR A2098 1.388 9.548 -6.146 1.00 62.14 O ATOM 1390 CB THR A2098 0.719 12.842 -6.458 1.00 23.34 C ATOM 1391 OG1 THR A2098 -0.195 13.754 -5.856 1.00 1.31 O ATOM 1392 CG2 THR A2098 -0.045 12.291 -7.664 1.00 2.43 C ATOM 0 H THR A2098 1.710 13.436 -4.341 1.00 41.13 H new ATOM 0 HA THR A2098 -0.005 11.316 -5.147 1.00 5.24 H new ATOM 0 HB THR A2098 1.678 13.243 -6.787 1.00 23.34 H new ATOM 0 HG1 THR A2098 0.294 14.366 -5.267 1.00 1.31 H new ATOM 0 HG21 THR A2098 -0.185 13.083 -8.399 1.00 2.43 H new ATOM 0 HG22 THR A2098 0.522 11.476 -8.113 1.00 2.43 H new ATOM 0 HG23 THR A2098 -1.018 11.921 -7.340 1.00 2.43 H new ATOM 1400 N GLN A2099 3.155 10.929 -5.864 1.00 53.14 N ATOM 1401 CA GLN A2099 4.135 9.942 -6.278 1.00 21.11 C ATOM 1402 C GLN A2099 4.016 8.682 -5.417 1.00 73.05 C ATOM 1403 O GLN A2099 3.984 7.569 -5.940 1.00 14.30 O ATOM 1404 CB GLN A2099 5.552 10.515 -6.217 1.00 34.54 C ATOM 1405 CG GLN A2099 6.193 10.545 -7.604 1.00 33.25 C ATOM 1406 CD GLN A2099 6.408 11.983 -8.079 1.00 0.12 C ATOM 1407 OE1 GLN A2099 6.426 12.923 -7.303 1.00 61.32 O ATOM 1408 NE2 GLN A2099 6.570 12.100 -9.394 1.00 30.52 N ATOM 0 H GLN A2099 3.546 11.835 -5.605 1.00 53.14 H new ATOM 0 HA GLN A2099 3.933 9.672 -7.314 1.00 21.11 H new ATOM 0 HB2 GLN A2099 5.522 11.524 -5.805 1.00 34.54 H new ATOM 0 HB3 GLN A2099 6.162 9.913 -5.544 1.00 34.54 H new ATOM 0 HG2 GLN A2099 7.148 10.020 -7.578 1.00 33.25 H new ATOM 0 HG3 GLN A2099 5.557 10.015 -8.314 1.00 33.25 H new ATOM 0 HE21 GLN A2099 6.544 11.270 -9.987 1.00 30.52 H new ATOM 0 HE22 GLN A2099 6.721 13.019 -9.810 1.00 30.52 H new ATOM 1417 N ALA A2100 3.952 8.900 -4.111 1.00 72.33 N ATOM 1418 CA ALA A2100 3.836 7.796 -3.173 1.00 74.41 C ATOM 1419 C ALA A2100 2.544 7.029 -3.454 1.00 20.23 C ATOM 1420 O ALA A2100 2.516 5.801 -3.367 1.00 35.02 O ATOM 1421 CB ALA A2100 3.894 8.335 -1.742 1.00 74.32 C ATOM 0 H ALA A2100 3.978 9.824 -3.681 1.00 72.33 H new ATOM 0 HA ALA A2100 4.666 7.100 -3.294 1.00 74.41 H new ATOM 0 HB1 ALA A2100 3.807 7.508 -1.038 1.00 74.32 H new ATOM 0 HB2 ALA A2100 4.843 8.847 -1.584 1.00 74.32 H new ATOM 0 HB3 ALA A2100 3.073 9.034 -1.583 1.00 74.32 H new ATOM 1427 N TRP A2101 1.504 7.781 -3.786 1.00 21.15 N ATOM 1428 CA TRP A2101 0.212 7.183 -4.080 1.00 53.21 C ATOM 1429 C TRP A2101 0.366 6.318 -5.331 1.00 62.20 C ATOM 1430 O TRP A2101 -0.308 5.298 -5.471 1.00 32.45 O ATOM 1431 CB TRP A2101 -0.867 8.258 -4.225 1.00 41.43 C ATOM 1432 CG TRP A2101 -1.965 8.186 -3.164 1.00 71.32 C ATOM 1433 CD1 TRP A2101 -2.218 9.058 -2.178 1.00 2.24 C ATOM 1434 CD2 TRP A2101 -2.954 7.146 -3.020 1.00 31.43 C ATOM 1435 NE1 TRP A2101 -3.294 8.657 -1.411 1.00 4.50 N ATOM 1436 CE2 TRP A2101 -3.757 7.458 -1.942 1.00 72.40 C ATOM 1437 CE3 TRP A2101 -3.166 5.980 -3.777 1.00 43.41 C ATOM 1438 CZ2 TRP A2101 -4.823 6.653 -1.521 1.00 53.44 C ATOM 1439 CZ3 TRP A2101 -4.237 5.187 -3.345 1.00 10.01 C ATOM 1440 CH2 TRP A2101 -5.052 5.488 -2.260 1.00 25.15 C ATOM 0 H TRP A2101 1.530 8.798 -3.858 1.00 21.15 H new ATOM 0 HA TRP A2101 -0.117 6.548 -3.257 1.00 53.21 H new ATOM 0 HB2 TRP A2101 -0.395 9.240 -4.179 1.00 41.43 H new ATOM 0 HB3 TRP A2101 -1.323 8.170 -5.211 1.00 41.43 H new ATOM 0 HD1 TRP A2101 -1.651 9.961 -2.005 1.00 2.24 H new ATOM 0 HE1 TRP A2101 -3.678 9.149 -0.604 1.00 4.50 H new ATOM 0 HE3 TRP A2101 -2.551 5.717 -4.625 1.00 43.41 H new ATOM 0 HZ2 TRP A2101 -5.435 6.918 -0.671 1.00 53.44 H new ATOM 0 HZ3 TRP A2101 -4.444 4.279 -3.893 1.00 10.01 H new ATOM 0 HH2 TRP A2101 -5.860 4.824 -1.989 1.00 25.15 H new ATOM 1451 N ASP A2102 1.257 6.754 -6.210 1.00 12.42 N ATOM 1452 CA ASP A2102 1.507 6.031 -7.444 1.00 0.50 C ATOM 1453 C ASP A2102 2.175 4.693 -7.120 1.00 1.12 C ATOM 1454 O ASP A2102 1.767 3.651 -7.629 1.00 73.43 O ATOM 1455 CB ASP A2102 2.444 6.817 -8.364 1.00 73.33 C ATOM 1456 CG ASP A2102 2.061 6.798 -9.844 1.00 41.34 C ATOM 1457 OD1 ASP A2102 2.395 5.856 -10.579 1.00 0.52 O ATOM 1458 OD2 ASP A2102 1.383 7.820 -10.246 1.00 24.31 O ATOM 0 H ASP A2102 1.815 7.600 -6.091 1.00 12.42 H new ATOM 0 HA ASP A2102 0.551 5.881 -7.946 1.00 0.50 H new ATOM 0 HB2 ASP A2102 2.477 7.853 -8.026 1.00 73.33 H new ATOM 0 HB3 ASP A2102 3.452 6.416 -8.260 1.00 73.33 H new ATOM 1464 N LEU A2103 3.194 4.766 -6.276 1.00 65.01 N ATOM 1465 CA LEU A2103 3.924 3.575 -5.878 1.00 73.22 C ATOM 1466 C LEU A2103 2.941 2.544 -5.319 1.00 4.43 C ATOM 1467 O LEU A2103 2.919 1.398 -5.763 1.00 24.35 O ATOM 1468 CB LEU A2103 5.053 3.935 -4.910 1.00 55.30 C ATOM 1469 CG LEU A2103 6.362 4.401 -5.552 1.00 22.04 C ATOM 1470 CD1 LEU A2103 6.271 5.865 -5.985 1.00 72.32 C ATOM 1471 CD2 LEU A2103 7.548 4.151 -4.618 1.00 14.13 C ATOM 0 H LEU A2103 3.531 5.633 -5.857 1.00 65.01 H new ATOM 0 HA LEU A2103 4.410 3.120 -6.741 1.00 73.22 H new ATOM 0 HB2 LEU A2103 4.697 4.721 -4.244 1.00 55.30 H new ATOM 0 HB3 LEU A2103 5.265 3.064 -4.290 1.00 55.30 H new ATOM 0 HG LEU A2103 6.530 3.811 -6.453 1.00 22.04 H new ATOM 0 HD11 LEU A2103 7.214 6.170 -6.438 1.00 72.32 H new ATOM 0 HD12 LEU A2103 5.466 5.980 -6.711 1.00 72.32 H new ATOM 0 HD13 LEU A2103 6.067 6.490 -5.115 1.00 72.32 H new ATOM 0 HD21 LEU A2103 8.466 4.491 -5.097 1.00 14.13 H new ATOM 0 HD22 LEU A2103 7.400 4.699 -3.687 1.00 14.13 H new ATOM 0 HD23 LEU A2103 7.624 3.085 -4.403 1.00 14.13 H new ATOM 1483 N TYR A2104 2.153 2.989 -4.353 1.00 40.10 N ATOM 1484 CA TYR A2104 1.169 2.118 -3.727 1.00 54.42 C ATOM 1485 C TYR A2104 0.251 1.489 -4.775 1.00 3.30 C ATOM 1486 O TYR A2104 0.123 0.266 -4.839 1.00 0.31 O ATOM 1487 CB TYR A2104 0.337 3.015 -2.809 1.00 24.45 C ATOM 1488 CG TYR A2104 1.067 3.456 -1.540 1.00 12.24 C ATOM 1489 CD1 TYR A2104 1.849 2.554 -0.846 1.00 14.13 C ATOM 1490 CD2 TYR A2104 0.945 4.756 -1.089 1.00 23.44 C ATOM 1491 CE1 TYR A2104 2.538 2.969 0.350 1.00 71.15 C ATOM 1492 CE2 TYR A2104 1.634 5.169 0.106 1.00 54.43 C ATOM 1493 CZ TYR A2104 2.396 4.256 0.767 1.00 11.02 C ATOM 1494 OH TYR A2104 3.045 4.649 1.895 1.00 23.14 O ATOM 0 H TYR A2104 2.174 3.941 -3.987 1.00 40.10 H new ATOM 0 HA TYR A2104 1.660 1.308 -3.187 1.00 54.42 H new ATOM 0 HB2 TYR A2104 0.030 3.901 -3.365 1.00 24.45 H new ATOM 0 HB3 TYR A2104 -0.572 2.484 -2.527 1.00 24.45 H new ATOM 0 HD1 TYR A2104 1.944 1.538 -1.199 1.00 14.13 H new ATOM 0 HD2 TYR A2104 0.334 5.462 -1.632 1.00 23.44 H new ATOM 0 HE1 TYR A2104 3.153 2.274 0.902 1.00 71.15 H new ATOM 0 HE2 TYR A2104 1.548 6.182 0.470 1.00 54.43 H new ATOM 0 HH TYR A2104 2.852 5.594 2.071 1.00 23.14 H new ATOM 1504 N TYR A2105 -0.365 2.350 -5.571 1.00 61.14 N ATOM 1505 CA TYR A2105 -1.269 1.893 -6.613 1.00 11.33 C ATOM 1506 C TYR A2105 -0.630 0.778 -7.443 1.00 21.15 C ATOM 1507 O TYR A2105 -1.304 -0.168 -7.847 1.00 55.34 O ATOM 1508 CB TYR A2105 -1.520 3.103 -7.515 1.00 24.44 C ATOM 1509 CG TYR A2105 -2.906 3.121 -8.160 1.00 45.44 C ATOM 1510 CD1 TYR A2105 -3.538 1.933 -8.471 1.00 62.34 C ATOM 1511 CD2 TYR A2105 -3.527 4.324 -8.433 1.00 55.43 C ATOM 1512 CE1 TYR A2105 -4.845 1.951 -9.078 1.00 22.42 C ATOM 1513 CE2 TYR A2105 -4.831 4.340 -9.040 1.00 75.35 C ATOM 1514 CZ TYR A2105 -5.426 3.153 -9.332 1.00 43.44 C ATOM 1515 OH TYR A2105 -6.659 3.169 -9.908 1.00 74.32 O ATOM 0 H TYR A2105 -0.256 3.363 -5.515 1.00 61.14 H new ATOM 0 HA TYR A2105 -2.187 1.498 -6.178 1.00 11.33 H new ATOM 0 HB2 TYR A2105 -1.391 4.013 -6.929 1.00 24.44 H new ATOM 0 HB3 TYR A2105 -0.765 3.120 -8.301 1.00 24.44 H new ATOM 0 HD1 TYR A2105 -3.053 0.991 -8.260 1.00 62.34 H new ATOM 0 HD2 TYR A2105 -3.033 5.253 -8.191 1.00 55.43 H new ATOM 0 HE1 TYR A2105 -5.351 1.030 -9.326 1.00 22.42 H new ATOM 0 HE2 TYR A2105 -5.326 5.274 -9.259 1.00 75.35 H new ATOM 0 HH TYR A2105 -6.951 4.096 -10.030 1.00 74.32 H new ATOM 1525 N HIS A2106 0.669 0.925 -7.674 1.00 24.42 N ATOM 1526 CA HIS A2106 1.406 -0.058 -8.448 1.00 42.12 C ATOM 1527 C HIS A2106 1.386 -1.404 -7.722 1.00 3.32 C ATOM 1528 O HIS A2106 1.042 -2.426 -8.314 1.00 33.21 O ATOM 1529 CB HIS A2106 2.824 0.436 -8.742 1.00 35.01 C ATOM 1530 CG HIS A2106 3.078 0.742 -10.198 1.00 14.44 C ATOM 1531 ND1 HIS A2106 3.246 -0.242 -11.154 1.00 45.31 N ATOM 1532 CD2 HIS A2106 3.190 1.935 -10.851 1.00 11.33 C ATOM 1533 CE1 HIS A2106 3.451 0.341 -12.326 1.00 50.41 C ATOM 1534 NE2 HIS A2106 3.417 1.691 -12.137 1.00 60.44 N ATOM 0 H HIS A2106 1.227 1.710 -7.338 1.00 24.42 H new ATOM 0 HA HIS A2106 0.924 -0.200 -9.415 1.00 42.12 H new ATOM 0 HB2 HIS A2106 3.014 1.334 -8.154 1.00 35.01 H new ATOM 0 HB3 HIS A2106 3.537 -0.319 -8.410 1.00 35.01 H new ATOM 0 HD2 HIS A2106 3.108 2.912 -10.399 1.00 11.33 H new ATOM 0 HE1 HIS A2106 3.616 -0.164 -13.266 1.00 50.41 H new ATOM 0 HE2 HIS A2106 3.545 2.396 -12.863 1.00 60.44 H new ATOM 1543 N VAL A2107 1.759 -1.361 -6.452 1.00 64.04 N ATOM 1544 CA VAL A2107 1.787 -2.565 -5.638 1.00 55.15 C ATOM 1545 C VAL A2107 0.355 -3.060 -5.419 1.00 42.30 C ATOM 1546 O VAL A2107 0.069 -4.241 -5.608 1.00 72.11 O ATOM 1547 CB VAL A2107 2.534 -2.296 -4.330 1.00 45.21 C ATOM 1548 CG1 VAL A2107 3.577 -1.191 -4.513 1.00 23.15 C ATOM 1549 CG2 VAL A2107 1.559 -1.948 -3.205 1.00 74.43 C ATOM 0 H VAL A2107 2.045 -0.511 -5.966 1.00 64.04 H new ATOM 0 HA VAL A2107 2.331 -3.359 -6.149 1.00 55.15 H new ATOM 0 HB VAL A2107 3.058 -3.209 -4.048 1.00 45.21 H new ATOM 0 HG11 VAL A2107 4.094 -1.019 -3.569 1.00 23.15 H new ATOM 0 HG12 VAL A2107 4.298 -1.494 -5.272 1.00 23.15 H new ATOM 0 HG13 VAL A2107 3.082 -0.272 -4.829 1.00 23.15 H new ATOM 0 HG21 VAL A2107 2.115 -1.761 -2.286 1.00 74.43 H new ATOM 0 HG22 VAL A2107 0.995 -1.055 -3.475 1.00 74.43 H new ATOM 0 HG23 VAL A2107 0.871 -2.779 -3.050 1.00 74.43 H new ATOM 1559 N PHE A2108 -0.503 -2.133 -5.022 1.00 64.10 N ATOM 1560 CA PHE A2108 -1.897 -2.461 -4.774 1.00 4.41 C ATOM 1561 C PHE A2108 -2.573 -2.975 -6.046 1.00 10.40 C ATOM 1562 O PHE A2108 -3.495 -3.787 -5.979 1.00 43.00 O ATOM 1563 CB PHE A2108 -2.588 -1.171 -4.328 1.00 62.02 C ATOM 1564 CG PHE A2108 -2.557 -0.938 -2.816 1.00 25.31 C ATOM 1565 CD1 PHE A2108 -1.473 -0.349 -2.241 1.00 30.04 C ATOM 1566 CD2 PHE A2108 -3.610 -1.321 -2.047 1.00 60.04 C ATOM 1567 CE1 PHE A2108 -1.445 -0.134 -0.838 1.00 31.45 C ATOM 1568 CE2 PHE A2108 -3.583 -1.106 -0.645 1.00 72.11 C ATOM 1569 CZ PHE A2108 -2.499 -0.516 -0.069 1.00 4.22 C ATOM 0 H PHE A2108 -0.261 -1.155 -4.866 1.00 64.10 H new ATOM 0 HA PHE A2108 -1.967 -3.242 -4.017 1.00 4.41 H new ATOM 0 HB2 PHE A2108 -2.112 -0.326 -4.825 1.00 62.02 H new ATOM 0 HB3 PHE A2108 -3.626 -1.193 -4.660 1.00 62.02 H new ATOM 0 HD1 PHE A2108 -0.635 -0.046 -2.851 1.00 30.04 H new ATOM 0 HD2 PHE A2108 -4.469 -1.790 -2.504 1.00 60.04 H new ATOM 0 HE1 PHE A2108 -0.585 0.334 -0.381 1.00 31.45 H new ATOM 0 HE2 PHE A2108 -4.421 -1.410 -0.035 1.00 72.11 H new ATOM 0 HZ PHE A2108 -2.477 -0.352 0.998 1.00 4.22 H new ATOM 1579 N ARG A2109 -2.091 -2.480 -7.177 1.00 1.12 N ATOM 1580 CA ARG A2109 -2.638 -2.879 -8.462 1.00 61.11 C ATOM 1581 C ARG A2109 -2.124 -4.267 -8.850 1.00 34.41 C ATOM 1582 O ARG A2109 -2.835 -5.039 -9.490 1.00 10.30 O ATOM 1583 CB ARG A2109 -2.258 -1.879 -9.556 1.00 73.13 C ATOM 1584 CG ARG A2109 -2.708 -2.374 -10.932 1.00 73.44 C ATOM 1585 CD ARG A2109 -3.662 -1.375 -11.590 1.00 33.54 C ATOM 1586 NE ARG A2109 -4.046 -1.854 -12.937 1.00 32.24 N ATOM 1587 CZ ARG A2109 -4.807 -1.150 -13.802 1.00 21.30 C ATOM 1588 NH1 ARG A2109 -5.274 0.070 -13.468 1.00 71.54 N ATOM 1589 NH2 ARG A2109 -5.088 -1.676 -14.980 1.00 74.33 N ATOM 0 H ARG A2109 -1.327 -1.806 -7.230 1.00 1.12 H new ATOM 0 HA ARG A2109 -3.724 -2.903 -8.367 1.00 61.11 H new ATOM 0 HB2 ARG A2109 -2.716 -0.913 -9.345 1.00 73.13 H new ATOM 0 HB3 ARG A2109 -1.179 -1.727 -9.555 1.00 73.13 H new ATOM 0 HG2 ARG A2109 -1.838 -2.525 -11.570 1.00 73.44 H new ATOM 0 HG3 ARG A2109 -3.201 -3.341 -10.831 1.00 73.44 H new ATOM 0 HD2 ARG A2109 -4.551 -1.248 -10.973 1.00 33.54 H new ATOM 0 HD3 ARG A2109 -3.184 -0.398 -11.665 1.00 33.54 H new ATOM 0 HE ARG A2109 -3.715 -2.773 -13.230 1.00 32.24 H new ATOM 0 HH11 ARG A2109 -5.053 0.468 -12.555 1.00 71.54 H new ATOM 0 HH12 ARG A2109 -5.848 0.595 -14.128 1.00 71.54 H new ATOM 0 HH21 ARG A2109 -4.732 -2.600 -15.224 1.00 74.33 H new ATOM 0 HH22 ARG A2109 -5.662 -1.158 -15.646 1.00 74.33 H new ATOM 1601 N ARG A2110 -0.891 -4.541 -8.446 1.00 61.35 N ATOM 1602 CA ARG A2110 -0.275 -5.823 -8.743 1.00 64.33 C ATOM 1603 C ARG A2110 -1.005 -6.947 -8.006 1.00 44.35 C ATOM 1604 O ARG A2110 -1.411 -7.935 -8.618 1.00 51.34 O ATOM 1605 CB ARG A2110 1.200 -5.831 -8.338 1.00 13.32 C ATOM 1606 CG ARG A2110 2.076 -5.240 -9.445 1.00 71.52 C ATOM 1607 CD ARG A2110 2.368 -6.281 -10.526 1.00 52.01 C ATOM 1608 NE ARG A2110 3.650 -6.963 -10.238 1.00 34.33 N ATOM 1609 CZ ARG A2110 4.142 -7.990 -10.966 1.00 50.12 C ATOM 1610 NH1 ARG A2110 3.461 -8.462 -12.031 1.00 75.41 N ATOM 1611 NH2 ARG A2110 5.297 -8.524 -10.618 1.00 35.11 N ATOM 0 H ARG A2110 -0.303 -3.897 -7.916 1.00 61.35 H new ATOM 0 HA ARG A2110 -0.346 -5.984 -9.819 1.00 64.33 H new ATOM 0 HB2 ARG A2110 1.332 -5.258 -7.420 1.00 13.32 H new ATOM 0 HB3 ARG A2110 1.517 -6.852 -8.125 1.00 13.32 H new ATOM 0 HG2 ARG A2110 1.576 -4.379 -9.889 1.00 71.52 H new ATOM 0 HG3 ARG A2110 3.013 -4.880 -9.019 1.00 71.52 H new ATOM 0 HD2 ARG A2110 1.560 -7.011 -10.568 1.00 52.01 H new ATOM 0 HD3 ARG A2110 2.414 -5.800 -11.503 1.00 52.01 H new ATOM 0 HE ARG A2110 4.196 -6.638 -9.440 1.00 34.33 H new ATOM 0 HH11 ARG A2110 2.568 -8.043 -12.292 1.00 75.41 H new ATOM 0 HH12 ARG A2110 3.839 -9.237 -12.575 1.00 75.41 H new ATOM 0 HH21 ARG A2110 5.804 -8.161 -9.811 1.00 35.11 H new ATOM 0 HH22 ARG A2110 5.683 -9.300 -11.156 1.00 35.11 H new ATOM 1623 N ILE A2111 -1.152 -6.760 -6.702 1.00 15.03 N ATOM 1624 CA ILE A2111 -1.826 -7.746 -5.875 1.00 61.32 C ATOM 1625 C ILE A2111 -3.097 -8.218 -6.585 1.00 0.31 C ATOM 1626 O ILE A2111 -3.434 -9.400 -6.540 1.00 64.11 O ATOM 1627 CB ILE A2111 -2.076 -7.188 -4.472 1.00 61.14 C ATOM 1628 CG1 ILE A2111 -2.674 -5.781 -4.540 1.00 3.05 C ATOM 1629 CG2 ILE A2111 -0.800 -7.230 -3.630 1.00 51.32 C ATOM 1630 CD1 ILE A2111 -2.960 -5.240 -3.138 1.00 14.20 C ATOM 0 H ILE A2111 -0.815 -5.940 -6.198 1.00 15.03 H new ATOM 0 HA ILE A2111 -1.194 -8.623 -5.736 1.00 61.32 H new ATOM 0 HB ILE A2111 -2.809 -7.825 -3.976 1.00 61.14 H new ATOM 0 HG12 ILE A2111 -1.985 -5.114 -5.058 1.00 3.05 H new ATOM 0 HG13 ILE A2111 -3.596 -5.801 -5.121 1.00 3.05 H new ATOM 0 HG21 ILE A2111 -1.005 -6.828 -2.638 1.00 51.32 H new ATOM 0 HG22 ILE A2111 -0.457 -8.261 -3.540 1.00 51.32 H new ATOM 0 HG23 ILE A2111 -0.027 -6.631 -4.111 1.00 51.32 H new ATOM 0 HD11 ILE A2111 -3.384 -4.239 -3.214 1.00 14.20 H new ATOM 0 HD12 ILE A2111 -3.668 -5.897 -2.632 1.00 14.20 H new ATOM 0 HD13 ILE A2111 -2.032 -5.198 -2.568 1.00 14.20 H new ATOM 1642 N SER A2112 -3.767 -7.269 -7.223 1.00 75.13 N ATOM 1643 CA SER A2112 -4.992 -7.573 -7.940 1.00 53.04 C ATOM 1644 C SER A2112 -4.663 -8.182 -9.306 1.00 60.54 C ATOM 1645 O SER A2112 -5.193 -9.233 -9.664 1.00 54.33 O ATOM 1646 CB SER A2112 -5.854 -6.320 -8.113 1.00 4.03 C ATOM 1647 OG SER A2112 -5.106 -5.224 -8.634 1.00 24.23 O ATOM 0 H SER A2112 -3.484 -6.290 -7.258 1.00 75.13 H new ATOM 0 HA SER A2112 -5.560 -8.296 -7.354 1.00 53.04 H new ATOM 0 HB2 SER A2112 -6.686 -6.542 -8.782 1.00 4.03 H new ATOM 0 HB3 SER A2112 -6.284 -6.041 -7.151 1.00 4.03 H new ATOM 0 HG SER A2112 -4.164 -5.482 -8.719 1.00 24.23 H new ATOM 1653 N LYS A2113 -3.789 -7.497 -10.028 1.00 54.25 N ATOM 1654 CA LYS A2113 -3.382 -7.958 -11.344 1.00 42.32 C ATOM 1655 C LYS A2113 -3.185 -9.474 -11.311 1.00 63.33 C ATOM 1656 O LYS A2113 -2.516 -9.998 -10.421 1.00 53.12 O ATOM 1657 CB LYS A2113 -2.150 -7.188 -11.824 1.00 40.34 C ATOM 1658 CG LYS A2113 -2.405 -6.539 -13.186 1.00 71.35 C ATOM 1659 CD LYS A2113 -3.270 -5.284 -13.041 1.00 74.41 C ATOM 1660 CE LYS A2113 -4.621 -5.465 -13.736 1.00 30.42 C ATOM 1661 NZ LYS A2113 -5.528 -4.344 -13.407 1.00 73.13 N ATOM 0 H LYS A2113 -3.351 -6.626 -9.727 1.00 54.25 H new ATOM 0 HA LYS A2113 -4.163 -7.754 -12.077 1.00 42.32 H new ATOM 0 HB2 LYS A2113 -1.889 -6.421 -11.095 1.00 40.34 H new ATOM 0 HB3 LYS A2113 -1.298 -7.865 -11.893 1.00 40.34 H new ATOM 0 HG2 LYS A2113 -1.455 -6.279 -13.653 1.00 71.35 H new ATOM 0 HG3 LYS A2113 -2.899 -7.252 -13.846 1.00 71.35 H new ATOM 0 HD2 LYS A2113 -3.427 -5.066 -11.985 1.00 74.41 H new ATOM 0 HD3 LYS A2113 -2.749 -4.428 -13.469 1.00 74.41 H new ATOM 0 HE2 LYS A2113 -4.477 -5.519 -14.815 1.00 30.42 H new ATOM 0 HE3 LYS A2113 -5.072 -6.408 -13.427 1.00 30.42 H new ATOM 0 HZ1 LYS A2113 -6.479 -4.714 -13.208 1.00 73.13 H new ATOM 0 HZ2 LYS A2113 -5.169 -3.842 -12.570 1.00 73.13 H new ATOM 0 HZ3 LYS A2113 -5.574 -3.687 -14.212 1.00 73.13 H new