USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=19 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 150:sc= -10.2! (180deg=-8.46!) USER MOD Set 1.2: A2057 MET CE :methyl 175:sc= -3.57! (180deg=-1.13) USER MOD Set 1.3: A2058 MET CE :methyl 153:sc= -20! (180deg=-16.9!) USER MOD Set 2.1: A2055 HIS : no HD1:sc= -4.6! K(o=-4.6!,f=-1) USER MOD Set 2.2: A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2024 HIS : no HD1:sc= -0.603 K(o=-0.6,f=-2.9) USER MOD Single : A2028 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.77) USER MOD Single : A2035 SER OG : rot -84:sc= 0.833 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.0209 X(o=-0.021,f=0.12) USER MOD Single : A2045 LYS NZ :NH3+ -152:sc= 0.862 (180deg=0.417) USER MOD Single : A2047 MET CE :methyl -128:sc= -6.8! (180deg=-13.3!) USER MOD Single : A2063 GLN : amide:sc= -0.833 K(o=-0.83,f=-3.3!) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.604 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= -0.053 X(o=-0.053,f=-0.54) USER MOD Single : A2072 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.8!) USER MOD Single : A2074 TYR OH : rot 180:sc= -1.19 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A2085 CYS SG : rot 104:sc= -1.04! 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 -123:sc= -9.5! (180deg=-13.3!) 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= -0.0158 X(o=-0.016,f=-0.059) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 77:sc= 0.261 USER MOD Single : A2099 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.26) 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 -8:sc= 0.0912 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -6.850 -13.335 3.471 1.00 42.31 N ATOM 144 CA LEU A2022 -6.019 -12.931 2.349 1.00 11.14 C ATOM 145 C LEU A2022 -5.441 -11.542 2.623 1.00 45.42 C ATOM 146 O LEU A2022 -6.072 -10.723 3.290 1.00 55.33 O ATOM 147 CB LEU A2022 -6.804 -13.024 1.040 1.00 33.34 C ATOM 148 CG LEU A2022 -6.150 -13.839 -0.078 1.00 1.45 C ATOM 149 CD1 LEU A2022 -5.978 -15.301 0.336 1.00 65.31 C ATOM 150 CD2 LEU A2022 -6.930 -13.701 -1.388 1.00 12.10 C ATOM 0 HA LEU A2022 -5.175 -13.611 2.235 1.00 11.14 H new ATOM 0 HB2 LEU A2022 -7.781 -13.458 1.255 1.00 33.34 H new ATOM 0 HB3 LEU A2022 -6.978 -12.013 0.671 1.00 33.34 H new ATOM 0 HG LEU A2022 -5.153 -13.436 -0.254 1.00 1.45 H new ATOM 0 HD11 LEU A2022 -5.511 -15.857 -0.477 1.00 65.31 H new ATOM 0 HD12 LEU A2022 -5.347 -15.356 1.223 1.00 65.31 H new ATOM 0 HD13 LEU A2022 -6.954 -15.734 0.558 1.00 65.31 H new ATOM 0 HD21 LEU A2022 -6.443 -14.290 -2.165 1.00 12.10 H new ATOM 0 HD22 LEU A2022 -7.949 -14.061 -1.244 1.00 12.10 H new ATOM 0 HD23 LEU A2022 -6.954 -12.654 -1.688 1.00 12.10 H new ATOM 162 N TRP A2023 -4.246 -11.317 2.094 1.00 32.31 N ATOM 163 CA TRP A2023 -3.576 -10.040 2.272 1.00 33.45 C ATOM 164 C TRP A2023 -4.207 -9.036 1.305 1.00 31.33 C ATOM 165 O TRP A2023 -4.557 -7.925 1.700 1.00 64.12 O ATOM 166 CB TRP A2023 -2.065 -10.183 2.085 1.00 42.35 C ATOM 167 CG TRP A2023 -1.302 -10.490 3.375 1.00 63.14 C ATOM 168 CD1 TRP A2023 -1.799 -10.910 4.546 1.00 32.35 C ATOM 169 CD2 TRP A2023 0.121 -10.380 3.580 1.00 61.24 C ATOM 170 NE1 TRP A2023 -0.803 -11.080 5.486 1.00 73.30 N ATOM 171 CE2 TRP A2023 0.402 -10.747 4.879 1.00 21.44 C ATOM 172 CE3 TRP A2023 1.140 -9.984 2.693 1.00 30.44 C ATOM 173 CZ2 TRP A2023 1.696 -10.755 5.413 1.00 23.01 C ATOM 174 CZ3 TRP A2023 2.428 -9.999 3.241 1.00 54.43 C ATOM 175 CH2 TRP A2023 2.727 -10.365 4.548 1.00 71.22 C ATOM 0 H TRP A2023 -3.725 -11.998 1.542 1.00 32.31 H new ATOM 0 HA TRP A2023 -3.709 -9.673 3.290 1.00 33.45 H new ATOM 0 HB2 TRP A2023 -1.873 -10.977 1.364 1.00 42.35 H new ATOM 0 HB3 TRP A2023 -1.674 -9.261 1.655 1.00 42.35 H new ATOM 0 HD1 TRP A2023 -2.847 -11.093 4.731 1.00 32.35 H new ATOM 0 HE1 TRP A2023 -0.928 -11.392 6.449 1.00 73.30 H new ATOM 0 HE3 TRP A2023 0.944 -9.692 1.672 1.00 30.44 H new ATOM 0 HZ2 TRP A2023 1.889 -11.046 6.435 1.00 23.01 H new ATOM 0 HZ3 TRP A2023 3.248 -9.705 2.603 1.00 54.43 H new ATOM 0 HH2 TRP A2023 3.749 -10.349 4.895 1.00 71.22 H new ATOM 186 N HIS A2024 -4.334 -9.465 0.058 1.00 74.22 N ATOM 187 CA HIS A2024 -4.916 -8.617 -0.968 1.00 51.33 C ATOM 188 C HIS A2024 -6.210 -7.992 -0.444 1.00 42.33 C ATOM 189 O HIS A2024 -6.654 -6.959 -0.946 1.00 23.25 O ATOM 190 CB HIS A2024 -5.118 -9.399 -2.269 1.00 71.43 C ATOM 191 CG HIS A2024 -4.079 -10.467 -2.511 1.00 71.55 C ATOM 192 ND1 HIS A2024 -4.286 -11.798 -2.195 1.00 42.33 N ATOM 193 CD2 HIS A2024 -2.826 -10.384 -3.042 1.00 10.52 C ATOM 194 CE1 HIS A2024 -3.197 -12.479 -2.525 1.00 32.25 C ATOM 195 NE2 HIS A2024 -2.294 -11.602 -3.049 1.00 12.25 N ATOM 0 H HIS A2024 -4.044 -10.388 -0.265 1.00 74.22 H new ATOM 0 HA HIS A2024 -4.231 -7.803 -1.204 1.00 51.33 H new ATOM 0 HB2 HIS A2024 -6.104 -9.863 -2.253 1.00 71.43 H new ATOM 0 HB3 HIS A2024 -5.108 -8.701 -3.106 1.00 71.43 H new ATOM 0 HD2 HIS A2024 -2.348 -9.483 -3.396 1.00 10.52 H new ATOM 0 HE1 HIS A2024 -3.051 -13.542 -2.401 1.00 32.25 H new ATOM 0 HE2 HIS A2024 -1.363 -11.841 -3.390 1.00 12.25 H new ATOM 204 N GLU A2025 -6.781 -8.644 0.557 1.00 15.23 N ATOM 205 CA GLU A2025 -8.016 -8.166 1.155 1.00 72.54 C ATOM 206 C GLU A2025 -7.760 -6.886 1.953 1.00 70.02 C ATOM 207 O GLU A2025 -8.590 -5.980 1.964 1.00 74.32 O ATOM 208 CB GLU A2025 -8.652 -9.243 2.036 1.00 2.23 C ATOM 209 CG GLU A2025 -8.213 -9.090 3.494 1.00 43.32 C ATOM 210 CD GLU A2025 -9.015 -7.994 4.197 1.00 50.21 C ATOM 211 OE1 GLU A2025 -10.120 -7.650 3.749 1.00 10.45 O ATOM 212 OE2 GLU A2025 -8.455 -7.495 5.246 1.00 75.24 O ATOM 0 H GLU A2025 -6.411 -9.500 0.970 1.00 15.23 H new ATOM 0 HA GLU A2025 -8.719 -7.937 0.354 1.00 72.54 H new ATOM 0 HB2 GLU A2025 -9.738 -9.176 1.971 1.00 2.23 H new ATOM 0 HB3 GLU A2025 -8.371 -10.230 1.670 1.00 2.23 H new ATOM 0 HG2 GLU A2025 -8.346 -10.036 4.019 1.00 43.32 H new ATOM 0 HG3 GLU A2025 -7.150 -8.850 3.534 1.00 43.32 H new ATOM 220 N MET A2026 -6.604 -6.853 2.600 1.00 1.24 N ATOM 221 CA MET A2026 -6.227 -5.698 3.399 1.00 24.35 C ATOM 222 C MET A2026 -5.799 -4.531 2.507 1.00 2.21 C ATOM 223 O MET A2026 -5.996 -3.370 2.863 1.00 10.32 O ATOM 224 CB MET A2026 -5.075 -6.078 4.332 1.00 50.42 C ATOM 225 CG MET A2026 -3.730 -5.979 3.610 1.00 24.43 C ATOM 226 SD MET A2026 -3.017 -4.363 3.863 1.00 75.01 S ATOM 227 CE MET A2026 -1.285 -4.794 3.924 1.00 54.11 C ATOM 0 H MET A2026 -5.916 -7.606 2.588 1.00 1.24 H new ATOM 0 HA MET A2026 -7.092 -5.385 3.984 1.00 24.35 H new ATOM 0 HB2 MET A2026 -5.074 -5.421 5.201 1.00 50.42 H new ATOM 0 HB3 MET A2026 -5.220 -7.094 4.700 1.00 50.42 H new ATOM 0 HG2 MET A2026 -3.051 -6.747 3.982 1.00 24.43 H new ATOM 0 HG3 MET A2026 -3.866 -6.162 2.544 1.00 24.43 H new ATOM 0 HE1 MET A2026 -0.689 -3.961 3.551 1.00 54.11 H new ATOM 0 HE2 MET A2026 -1.000 -5.011 4.953 1.00 54.11 H new ATOM 0 HE3 MET A2026 -1.107 -5.673 3.305 1.00 54.11 H new ATOM 237 N TRP A2027 -5.222 -4.880 1.367 1.00 2.33 N ATOM 238 CA TRP A2027 -4.766 -3.875 0.422 1.00 5.41 C ATOM 239 C TRP A2027 -5.997 -3.236 -0.222 1.00 53.01 C ATOM 240 O TRP A2027 -6.121 -2.012 -0.250 1.00 34.32 O ATOM 241 CB TRP A2027 -3.803 -4.483 -0.602 1.00 35.10 C ATOM 242 CG TRP A2027 -2.475 -4.952 -0.006 1.00 32.33 C ATOM 243 CD1 TRP A2027 -2.233 -6.067 0.697 1.00 21.45 C ATOM 244 CD2 TRP A2027 -1.206 -4.269 -0.089 1.00 55.03 C ATOM 245 NE1 TRP A2027 -0.908 -6.153 1.071 1.00 11.00 N ATOM 246 CE2 TRP A2027 -0.263 -5.025 0.577 1.00 75.11 C ATOM 247 CE3 TRP A2027 -0.867 -3.053 -0.706 1.00 43.43 C ATOM 248 CZ2 TRP A2027 1.081 -4.648 0.690 1.00 35.24 C ATOM 249 CZ3 TRP A2027 0.481 -2.691 -0.585 1.00 71.24 C ATOM 250 CH2 TRP A2027 1.442 -3.440 0.081 1.00 13.54 C ATOM 0 H TRP A2027 -5.060 -5.844 1.076 1.00 2.33 H new ATOM 0 HA TRP A2027 -4.198 -3.097 0.932 1.00 5.41 H new ATOM 0 HB2 TRP A2027 -4.291 -5.329 -1.086 1.00 35.10 H new ATOM 0 HB3 TRP A2027 -3.601 -3.745 -1.378 1.00 35.10 H new ATOM 0 HD1 TRP A2027 -2.982 -6.806 0.940 1.00 21.45 H new ATOM 0 HE1 TRP A2027 -0.480 -6.906 1.611 1.00 11.00 H new ATOM 0 HE3 TRP A2027 -1.589 -2.445 -1.232 1.00 43.43 H new ATOM 0 HZ2 TRP A2027 1.800 -5.256 1.218 1.00 35.24 H new ATOM 0 HZ3 TRP A2027 0.795 -1.764 -1.042 1.00 71.24 H new ATOM 0 HH2 TRP A2027 2.463 -3.092 0.129 1.00 13.54 H new ATOM 261 N HIS A2028 -6.876 -4.091 -0.721 1.00 22.34 N ATOM 262 CA HIS A2028 -8.093 -3.626 -1.363 1.00 71.53 C ATOM 263 C HIS A2028 -8.873 -2.730 -0.396 1.00 31.34 C ATOM 264 O HIS A2028 -9.250 -1.614 -0.745 1.00 61.34 O ATOM 265 CB HIS A2028 -8.922 -4.804 -1.877 1.00 64.41 C ATOM 266 CG HIS A2028 -8.296 -5.532 -3.043 1.00 22.34 C ATOM 267 ND1 HIS A2028 -9.045 -6.145 -4.033 1.00 42.53 N ATOM 268 CD2 HIS A2028 -6.987 -5.739 -3.364 1.00 4.11 C ATOM 269 CE1 HIS A2028 -8.213 -6.693 -4.908 1.00 15.31 C ATOM 270 NE2 HIS A2028 -6.939 -6.441 -4.491 1.00 3.31 N ATOM 0 H HIS A2028 -6.770 -5.105 -0.694 1.00 22.34 H new ATOM 0 HA HIS A2028 -7.840 -3.026 -2.237 1.00 71.53 H new ATOM 0 HB2 HIS A2028 -9.076 -5.510 -1.061 1.00 64.41 H new ATOM 0 HB3 HIS A2028 -9.906 -4.441 -2.174 1.00 64.41 H new ATOM 0 HD2 HIS A2028 -6.135 -5.392 -2.799 1.00 4.11 H new ATOM 0 HE1 HIS A2028 -8.494 -7.242 -5.794 1.00 15.31 H new ATOM 0 HE2 HIS A2028 -6.088 -6.742 -4.967 1.00 3.31 H new ATOM 279 N GLU A2029 -9.089 -3.255 0.802 1.00 65.24 N ATOM 280 CA GLU A2029 -9.815 -2.517 1.822 1.00 31.04 C ATOM 281 C GLU A2029 -8.975 -1.343 2.326 1.00 34.42 C ATOM 282 O GLU A2029 -9.514 -0.291 2.665 1.00 51.32 O ATOM 283 CB GLU A2029 -10.225 -3.436 2.975 1.00 50.25 C ATOM 284 CG GLU A2029 -10.844 -4.733 2.451 1.00 52.03 C ATOM 285 CD GLU A2029 -12.369 -4.687 2.543 1.00 60.53 C ATOM 286 OE1 GLU A2029 -12.917 -4.079 3.474 1.00 15.52 O ATOM 287 OE2 GLU A2029 -12.992 -5.313 1.602 1.00 32.23 O ATOM 0 H GLU A2029 -8.774 -4.182 1.089 1.00 65.24 H new ATOM 0 HA GLU A2029 -10.727 -2.119 1.377 1.00 31.04 H new ATOM 0 HB2 GLU A2029 -9.354 -3.667 3.588 1.00 50.25 H new ATOM 0 HB3 GLU A2029 -10.940 -2.922 3.618 1.00 50.25 H new ATOM 0 HG2 GLU A2029 -10.543 -4.892 1.415 1.00 52.03 H new ATOM 0 HG3 GLU A2029 -10.467 -5.579 3.026 1.00 52.03 H new ATOM 295 N GLY A2030 -7.669 -1.563 2.361 1.00 12.23 N ATOM 296 CA GLY A2030 -6.750 -0.535 2.821 1.00 44.00 C ATOM 297 C GLY A2030 -6.846 0.716 1.946 1.00 61.34 C ATOM 298 O GLY A2030 -7.257 1.776 2.416 1.00 32.33 O ATOM 0 H GLY A2030 -7.225 -2.437 2.079 1.00 12.23 H new ATOM 0 HA2 GLY A2030 -6.975 -0.278 3.856 1.00 44.00 H new ATOM 0 HA3 GLY A2030 -5.730 -0.919 2.802 1.00 44.00 H new ATOM 302 N LEU A2031 -6.460 0.554 0.689 1.00 34.25 N ATOM 303 CA LEU A2031 -6.498 1.657 -0.255 1.00 13.23 C ATOM 304 C LEU A2031 -7.941 2.141 -0.409 1.00 34.22 C ATOM 305 O LEU A2031 -8.181 3.325 -0.640 1.00 63.40 O ATOM 306 CB LEU A2031 -5.840 1.254 -1.576 1.00 72.31 C ATOM 307 CG LEU A2031 -4.680 2.135 -2.042 1.00 53.44 C ATOM 308 CD1 LEU A2031 -3.767 2.504 -0.871 1.00 54.42 C ATOM 309 CD2 LEU A2031 -3.908 1.467 -3.181 1.00 4.31 C ATOM 0 H LEU A2031 -6.119 -0.326 0.302 1.00 34.25 H new ATOM 0 HA LEU A2031 -5.917 2.500 0.120 1.00 13.23 H new ATOM 0 HB2 LEU A2031 -5.478 0.230 -1.481 1.00 72.31 H new ATOM 0 HB3 LEU A2031 -6.604 1.251 -2.354 1.00 72.31 H new ATOM 0 HG LEU A2031 -5.093 3.064 -2.434 1.00 53.44 H new ATOM 0 HD11 LEU A2031 -2.950 3.131 -1.230 1.00 54.42 H new ATOM 0 HD12 LEU A2031 -4.340 3.049 -0.121 1.00 54.42 H new ATOM 0 HD13 LEU A2031 -3.359 1.596 -0.427 1.00 54.42 H new ATOM 0 HD21 LEU A2031 -3.089 2.114 -3.494 1.00 4.31 H new ATOM 0 HD22 LEU A2031 -3.507 0.513 -2.838 1.00 4.31 H new ATOM 0 HD23 LEU A2031 -4.578 1.297 -4.024 1.00 4.31 H new ATOM 321 N GLU A2032 -8.865 1.200 -0.273 1.00 54.45 N ATOM 322 CA GLU A2032 -10.278 1.517 -0.394 1.00 23.51 C ATOM 323 C GLU A2032 -10.652 2.650 0.562 1.00 74.24 C ATOM 324 O GLU A2032 -11.279 3.628 0.156 1.00 13.34 O ATOM 325 CB GLU A2032 -11.140 0.278 -0.141 1.00 40.24 C ATOM 326 CG GLU A2032 -11.546 -0.385 -1.458 1.00 11.11 C ATOM 327 CD GLU A2032 -12.301 -1.692 -1.202 1.00 5.40 C ATOM 328 OE1 GLU A2032 -13.476 -1.663 -0.811 1.00 34.24 O ATOM 329 OE2 GLU A2032 -11.622 -2.767 -1.428 1.00 13.21 O ATOM 0 H GLU A2032 -8.663 0.219 -0.080 1.00 54.45 H new ATOM 0 HA GLU A2032 -10.470 1.851 -1.414 1.00 23.51 H new ATOM 0 HB2 GLU A2032 -10.589 -0.434 0.474 1.00 40.24 H new ATOM 0 HB3 GLU A2032 -12.032 0.559 0.419 1.00 40.24 H new ATOM 0 HG2 GLU A2032 -12.173 0.295 -2.034 1.00 11.11 H new ATOM 0 HG3 GLU A2032 -10.658 -0.585 -2.058 1.00 11.11 H new ATOM 337 N GLU A2033 -10.252 2.484 1.814 1.00 61.10 N ATOM 338 CA GLU A2033 -10.537 3.481 2.832 1.00 44.11 C ATOM 339 C GLU A2033 -9.579 4.666 2.697 1.00 63.33 C ATOM 340 O GLU A2033 -10.012 5.816 2.647 1.00 13.42 O ATOM 341 CB GLU A2033 -10.461 2.872 4.233 1.00 71.02 C ATOM 342 CG GLU A2033 -11.465 3.539 5.176 1.00 44.51 C ATOM 343 CD GLU A2033 -11.808 2.622 6.351 1.00 30.03 C ATOM 344 OE1 GLU A2033 -12.063 1.425 6.148 1.00 74.11 O ATOM 345 OE2 GLU A2033 -11.801 3.191 7.508 1.00 50.13 O ATOM 0 H GLU A2033 -9.732 1.672 2.147 1.00 61.10 H new ATOM 0 HA GLU A2033 -11.555 3.842 2.684 1.00 44.11 H new ATOM 0 HB2 GLU A2033 -10.662 1.802 4.180 1.00 71.02 H new ATOM 0 HB3 GLU A2033 -9.452 2.987 4.629 1.00 71.02 H new ATOM 0 HG2 GLU A2033 -11.051 4.475 5.550 1.00 44.51 H new ATOM 0 HG3 GLU A2033 -12.373 3.789 4.628 1.00 44.51 H new ATOM 353 N ALA A2034 -8.295 4.346 2.638 1.00 23.13 N ATOM 354 CA ALA A2034 -7.272 5.368 2.509 1.00 14.40 C ATOM 355 C ALA A2034 -7.611 6.276 1.324 1.00 14.32 C ATOM 356 O ALA A2034 -7.494 7.496 1.419 1.00 4.55 O ATOM 357 CB ALA A2034 -5.900 4.705 2.363 1.00 72.45 C ATOM 0 H ALA A2034 -7.940 3.391 2.677 1.00 23.13 H new ATOM 0 HA ALA A2034 -7.238 5.991 3.403 1.00 14.40 H new ATOM 0 HB1 ALA A2034 -5.133 5.473 2.266 1.00 72.45 H new ATOM 0 HB2 ALA A2034 -5.695 4.096 3.243 1.00 72.45 H new ATOM 0 HB3 ALA A2034 -5.894 4.073 1.475 1.00 72.45 H new ATOM 363 N SER A2035 -8.023 5.643 0.236 1.00 24.32 N ATOM 364 CA SER A2035 -8.380 6.377 -0.966 1.00 55.21 C ATOM 365 C SER A2035 -9.723 7.081 -0.770 1.00 44.24 C ATOM 366 O SER A2035 -9.849 8.275 -1.040 1.00 5.54 O ATOM 367 CB SER A2035 -8.439 5.451 -2.181 1.00 22.34 C ATOM 368 OG SER A2035 -9.642 4.687 -2.213 1.00 35.43 O ATOM 0 H SER A2035 -8.118 4.630 0.161 1.00 24.32 H new ATOM 0 HA SER A2035 -7.609 7.125 -1.151 1.00 55.21 H new ATOM 0 HB2 SER A2035 -8.362 6.044 -3.092 1.00 22.34 H new ATOM 0 HB3 SER A2035 -7.582 4.777 -2.165 1.00 22.34 H new ATOM 0 HG SER A2035 -9.538 3.889 -1.653 1.00 35.43 H new ATOM 374 N ARG A2036 -10.695 6.313 -0.302 1.00 74.24 N ATOM 375 CA ARG A2036 -12.025 6.849 -0.065 1.00 21.14 C ATOM 376 C ARG A2036 -11.941 8.139 0.752 1.00 24.24 C ATOM 377 O ARG A2036 -12.564 9.141 0.405 1.00 51.01 O ATOM 378 CB ARG A2036 -12.902 5.838 0.676 1.00 52.55 C ATOM 379 CG ARG A2036 -14.273 6.436 1.002 1.00 32.41 C ATOM 380 CD ARG A2036 -15.388 5.424 0.740 1.00 32.44 C ATOM 381 NE ARG A2036 -15.899 4.890 2.023 1.00 23.01 N ATOM 382 CZ ARG A2036 -16.489 3.683 2.159 1.00 54.22 C ATOM 383 NH1 ARG A2036 -16.648 2.873 1.091 1.00 54.22 N ATOM 384 NH2 ARG A2036 -16.908 3.308 3.353 1.00 21.12 N ATOM 0 H ARG A2036 -10.589 5.323 -0.080 1.00 74.24 H new ATOM 0 HA ARG A2036 -12.475 7.060 -1.035 1.00 21.14 H new ATOM 0 HB2 ARG A2036 -13.027 4.944 0.066 1.00 52.55 H new ATOM 0 HB3 ARG A2036 -12.408 5.529 1.597 1.00 52.55 H new ATOM 0 HG2 ARG A2036 -14.299 6.749 2.046 1.00 32.41 H new ATOM 0 HG3 ARG A2036 -14.438 7.328 0.398 1.00 32.41 H new ATOM 0 HD2 ARG A2036 -16.198 5.898 0.186 1.00 32.44 H new ATOM 0 HD3 ARG A2036 -15.013 4.609 0.121 1.00 32.44 H new ATOM 0 HE ARG A2036 -15.799 5.470 2.856 1.00 23.01 H new ATOM 0 HH11 ARG A2036 -16.321 3.171 0.172 1.00 54.22 H new ATOM 0 HH12 ARG A2036 -17.095 1.963 1.203 1.00 54.22 H new ATOM 0 HH21 ARG A2036 -16.784 3.927 4.155 1.00 21.12 H new ATOM 0 HH22 ARG A2036 -17.356 2.400 3.474 1.00 21.12 H new ATOM 396 N LEU A2037 -11.165 8.072 1.826 1.00 71.12 N ATOM 397 CA LEU A2037 -10.991 9.222 2.695 1.00 24.04 C ATOM 398 C LEU A2037 -10.160 10.282 1.972 1.00 10.52 C ATOM 399 O LEU A2037 -10.509 11.462 1.977 1.00 32.43 O ATOM 400 CB LEU A2037 -10.404 8.792 4.041 1.00 40.33 C ATOM 401 CG LEU A2037 -8.974 8.248 4.006 1.00 42.14 C ATOM 402 CD1 LEU A2037 -7.958 9.386 3.884 1.00 14.41 C ATOM 403 CD2 LEU A2037 -8.695 7.358 5.217 1.00 12.03 C ATOM 0 H LEU A2037 -10.651 7.239 2.112 1.00 71.12 H new ATOM 0 HA LEU A2037 -11.955 9.676 2.924 1.00 24.04 H new ATOM 0 HB2 LEU A2037 -10.430 9.647 4.716 1.00 40.33 H new ATOM 0 HB3 LEU A2037 -11.052 8.028 4.470 1.00 40.33 H new ATOM 0 HG LEU A2037 -8.868 7.624 3.118 1.00 42.14 H new ATOM 0 HD11 LEU A2037 -6.950 8.973 3.861 1.00 14.41 H new ATOM 0 HD12 LEU A2037 -8.143 9.942 2.965 1.00 14.41 H new ATOM 0 HD13 LEU A2037 -8.057 10.055 4.739 1.00 14.41 H new ATOM 0 HD21 LEU A2037 -7.672 6.985 5.167 1.00 12.03 H new ATOM 0 HD22 LEU A2037 -8.826 7.937 6.132 1.00 12.03 H new ATOM 0 HD23 LEU A2037 -9.388 6.517 5.218 1.00 12.03 H new ATOM 415 N TYR A2038 -9.073 9.826 1.366 1.00 71.31 N ATOM 416 CA TYR A2038 -8.188 10.719 0.640 1.00 55.14 C ATOM 417 C TYR A2038 -8.963 11.529 -0.403 1.00 14.31 C ATOM 418 O TYR A2038 -8.882 12.757 -0.427 1.00 22.35 O ATOM 419 CB TYR A2038 -7.177 9.823 -0.078 1.00 13.40 C ATOM 420 CG TYR A2038 -6.304 10.559 -1.094 1.00 52.42 C ATOM 421 CD1 TYR A2038 -5.225 11.305 -0.666 1.00 71.01 C ATOM 422 CD2 TYR A2038 -6.594 10.476 -2.441 1.00 3.32 C ATOM 423 CE1 TYR A2038 -4.403 12.000 -1.624 1.00 25.24 C ATOM 424 CE2 TYR A2038 -5.773 11.168 -3.399 1.00 11.44 C ATOM 425 CZ TYR A2038 -4.717 11.896 -2.944 1.00 74.54 C ATOM 426 OH TYR A2038 -3.941 12.550 -3.849 1.00 64.21 O ATOM 0 H TYR A2038 -8.786 8.847 1.364 1.00 71.31 H new ATOM 0 HA TYR A2038 -7.711 11.423 1.322 1.00 55.14 H new ATOM 0 HB2 TYR A2038 -6.533 9.352 0.665 1.00 13.40 H new ATOM 0 HB3 TYR A2038 -7.714 9.023 -0.588 1.00 13.40 H new ATOM 0 HD1 TYR A2038 -4.996 11.368 0.388 1.00 71.01 H new ATOM 0 HD2 TYR A2038 -7.438 9.891 -2.776 1.00 3.32 H new ATOM 0 HE1 TYR A2038 -3.557 12.590 -1.302 1.00 25.24 H new ATOM 0 HE2 TYR A2038 -5.990 11.111 -4.455 1.00 11.44 H new ATOM 0 HH TYR A2038 -4.282 12.385 -4.753 1.00 64.21 H new ATOM 501 N ASN A2043 -7.710 14.550 3.505 1.00 35.41 N ATOM 502 CA ASN A2043 -7.112 14.126 4.760 1.00 4.24 C ATOM 503 C ASN A2043 -6.285 12.859 4.524 1.00 54.33 C ATOM 504 O ASN A2043 -6.684 11.769 4.930 1.00 71.05 O ATOM 505 CB ASN A2043 -8.184 13.805 5.802 1.00 4.14 C ATOM 506 CG ASN A2043 -8.810 15.084 6.358 1.00 14.43 C ATOM 507 OD1 ASN A2043 -9.307 15.929 5.633 1.00 33.50 O ATOM 508 ND2 ASN A2043 -8.757 15.179 7.685 1.00 24.43 N ATOM 0 HA ASN A2043 -6.487 14.940 5.127 1.00 4.24 H new ATOM 0 HB2 ASN A2043 -8.958 13.183 5.352 1.00 4.14 H new ATOM 0 HB3 ASN A2043 -7.744 13.228 6.615 1.00 4.14 H new ATOM 0 HD21 ASN A2043 -9.147 15.996 8.154 1.00 24.43 H new ATOM 0 HD22 ASN A2043 -8.326 14.434 8.233 1.00 24.43 H new ATOM 515 N VAL A2044 -5.148 13.047 3.868 1.00 21.20 N ATOM 516 CA VAL A2044 -4.263 11.934 3.574 1.00 22.34 C ATOM 517 C VAL A2044 -3.876 11.235 4.879 1.00 55.15 C ATOM 518 O VAL A2044 -3.453 10.080 4.867 1.00 34.23 O ATOM 519 CB VAL A2044 -3.054 12.424 2.775 1.00 3.00 C ATOM 520 CG1 VAL A2044 -1.994 11.326 2.657 1.00 13.53 C ATOM 521 CG2 VAL A2044 -3.476 12.929 1.395 1.00 41.23 C ATOM 0 H VAL A2044 -4.821 13.953 3.533 1.00 21.20 H new ATOM 0 HA VAL A2044 -4.770 11.197 2.951 1.00 22.34 H new ATOM 0 HB VAL A2044 -2.612 13.261 3.316 1.00 3.00 H new ATOM 0 HG11 VAL A2044 -1.145 11.700 2.085 1.00 13.53 H new ATOM 0 HG12 VAL A2044 -1.660 11.034 3.653 1.00 13.53 H new ATOM 0 HG13 VAL A2044 -2.421 10.461 2.150 1.00 13.53 H new ATOM 0 HG21 VAL A2044 -2.597 13.271 0.848 1.00 41.23 H new ATOM 0 HG22 VAL A2044 -3.955 12.121 0.843 1.00 41.23 H new ATOM 0 HG23 VAL A2044 -4.177 13.756 1.509 1.00 41.23 H new ATOM 531 N LYS A2045 -4.033 11.966 5.972 1.00 54.15 N ATOM 532 CA LYS A2045 -3.705 11.432 7.283 1.00 62.03 C ATOM 533 C LYS A2045 -4.369 10.064 7.452 1.00 13.20 C ATOM 534 O LYS A2045 -3.754 9.133 7.970 1.00 62.13 O ATOM 535 CB LYS A2045 -4.077 12.434 8.379 1.00 42.02 C ATOM 536 CG LYS A2045 -5.566 12.781 8.323 1.00 13.23 C ATOM 537 CD LYS A2045 -6.347 12.022 9.398 1.00 61.14 C ATOM 538 CE LYS A2045 -6.518 12.877 10.656 1.00 63.32 C ATOM 539 NZ LYS A2045 -5.469 12.554 11.648 1.00 5.52 N ATOM 0 H LYS A2045 -4.383 12.924 5.977 1.00 54.15 H new ATOM 0 HA LYS A2045 -2.629 11.280 7.373 1.00 62.03 H new ATOM 0 HB2 LYS A2045 -3.834 12.016 9.356 1.00 42.02 H new ATOM 0 HB3 LYS A2045 -3.484 13.341 8.264 1.00 42.02 H new ATOM 0 HG2 LYS A2045 -5.698 13.854 8.462 1.00 13.23 H new ATOM 0 HG3 LYS A2045 -5.963 12.535 7.338 1.00 13.23 H new ATOM 0 HD2 LYS A2045 -7.326 11.739 9.010 1.00 61.14 H new ATOM 0 HD3 LYS A2045 -5.824 11.099 9.649 1.00 61.14 H new ATOM 0 HE2 LYS A2045 -6.466 13.934 10.394 1.00 63.32 H new ATOM 0 HE3 LYS A2045 -7.503 12.704 11.090 1.00 63.32 H new ATOM 0 HZ1 LYS A2045 -5.828 12.742 12.606 1.00 5.52 H new ATOM 0 HZ2 LYS A2045 -5.211 11.550 11.566 1.00 5.52 H new ATOM 0 HZ3 LYS A2045 -4.630 13.143 11.471 1.00 5.52 H new ATOM 552 N GLY A2046 -5.613 9.985 7.006 1.00 60.00 N ATOM 553 CA GLY A2046 -6.366 8.746 7.101 1.00 34.41 C ATOM 554 C GLY A2046 -5.599 7.589 6.458 1.00 50.11 C ATOM 555 O GLY A2046 -5.378 6.559 7.093 1.00 31.11 O ATOM 0 H GLY A2046 -6.119 10.760 6.577 1.00 60.00 H new ATOM 0 HA2 GLY A2046 -6.566 8.517 8.148 1.00 34.41 H new ATOM 0 HA3 GLY A2046 -7.332 8.864 6.610 1.00 34.41 H new ATOM 559 N MET A2047 -5.217 7.797 5.206 1.00 0.13 N ATOM 560 CA MET A2047 -4.479 6.783 4.471 1.00 5.42 C ATOM 561 C MET A2047 -3.252 6.321 5.258 1.00 4.50 C ATOM 562 O MET A2047 -3.084 5.128 5.509 1.00 22.11 O ATOM 563 CB MET A2047 -4.037 7.352 3.123 1.00 62.10 C ATOM 564 CG MET A2047 -3.015 6.435 2.449 1.00 31.51 C ATOM 565 SD MET A2047 -1.369 6.842 3.004 1.00 24.43 S ATOM 566 CE MET A2047 -1.204 8.478 2.309 1.00 53.21 C ATOM 0 H MET A2047 -5.404 8.652 4.682 1.00 0.13 H new ATOM 0 HA MET A2047 -5.132 5.924 4.316 1.00 5.42 H new ATOM 0 HB2 MET A2047 -4.904 7.475 2.474 1.00 62.10 H new ATOM 0 HB3 MET A2047 -3.604 8.342 3.267 1.00 62.10 H new ATOM 0 HG2 MET A2047 -3.239 5.394 2.682 1.00 31.51 H new ATOM 0 HG3 MET A2047 -3.079 6.540 1.366 1.00 31.51 H new ATOM 0 HE1 MET A2047 -0.281 8.537 1.733 1.00 53.21 H new ATOM 0 HE2 MET A2047 -2.053 8.684 1.657 1.00 53.21 H new ATOM 0 HE3 MET A2047 -1.178 9.214 3.113 1.00 53.21 H new ATOM 576 N PHE A2048 -2.425 7.288 5.625 1.00 44.10 N ATOM 577 CA PHE A2048 -1.216 6.993 6.377 1.00 73.43 C ATOM 578 C PHE A2048 -1.529 6.137 7.605 1.00 23.01 C ATOM 579 O PHE A2048 -0.773 5.229 7.943 1.00 1.52 O ATOM 580 CB PHE A2048 -0.639 8.335 6.839 1.00 63.42 C ATOM 581 CG PHE A2048 0.109 9.098 5.745 1.00 42.43 C ATOM 582 CD1 PHE A2048 0.923 8.431 4.884 1.00 0.22 C ATOM 583 CD2 PHE A2048 -0.039 10.446 5.634 1.00 1.34 C ATOM 584 CE1 PHE A2048 1.618 9.142 3.869 1.00 35.32 C ATOM 585 CE2 PHE A2048 0.656 11.156 4.620 1.00 35.13 C ATOM 586 CZ PHE A2048 1.469 10.489 3.760 1.00 64.32 C ATOM 0 H PHE A2048 -2.567 8.276 5.416 1.00 44.10 H new ATOM 0 HA PHE A2048 -0.514 6.441 5.752 1.00 73.43 H new ATOM 0 HB2 PHE A2048 -1.451 8.959 7.213 1.00 63.42 H new ATOM 0 HB3 PHE A2048 0.039 8.160 7.674 1.00 63.42 H new ATOM 0 HD1 PHE A2048 1.041 7.361 4.972 1.00 0.22 H new ATOM 0 HD2 PHE A2048 -0.686 10.976 6.318 1.00 1.34 H new ATOM 0 HE1 PHE A2048 2.264 8.613 3.184 1.00 35.32 H new ATOM 0 HE2 PHE A2048 0.538 12.226 4.532 1.00 35.13 H new ATOM 0 HZ PHE A2048 1.998 11.029 2.989 1.00 64.32 H new ATOM 596 N GLU A2049 -2.648 6.457 8.240 1.00 63.43 N ATOM 597 CA GLU A2049 -3.071 5.728 9.423 1.00 63.34 C ATOM 598 C GLU A2049 -3.674 4.378 9.029 1.00 2.12 C ATOM 599 O GLU A2049 -3.819 3.490 9.867 1.00 35.42 O ATOM 600 CB GLU A2049 -4.063 6.551 10.249 1.00 60.12 C ATOM 601 CG GLU A2049 -3.495 7.934 10.569 1.00 11.31 C ATOM 602 CD GLU A2049 -4.617 8.938 10.844 1.00 4.23 C ATOM 603 OE1 GLU A2049 -4.459 9.825 11.696 1.00 43.25 O ATOM 604 OE2 GLU A2049 -5.683 8.772 10.138 1.00 61.33 O ATOM 0 H GLU A2049 -3.274 7.211 7.957 1.00 63.43 H new ATOM 0 HA GLU A2049 -2.195 5.544 10.044 1.00 63.34 H new ATOM 0 HB2 GLU A2049 -4.999 6.656 9.700 1.00 60.12 H new ATOM 0 HB3 GLU A2049 -4.294 6.026 11.176 1.00 60.12 H new ATOM 0 HG2 GLU A2049 -2.839 7.870 11.437 1.00 11.31 H new ATOM 0 HG3 GLU A2049 -2.886 8.283 9.735 1.00 11.31 H new ATOM 612 N VAL A2050 -4.007 4.266 7.752 1.00 40.13 N ATOM 613 CA VAL A2050 -4.591 3.041 7.235 1.00 25.53 C ATOM 614 C VAL A2050 -3.471 2.082 6.824 1.00 25.15 C ATOM 615 O VAL A2050 -3.534 0.887 7.112 1.00 71.44 O ATOM 616 CB VAL A2050 -5.553 3.359 6.089 1.00 71.33 C ATOM 617 CG1 VAL A2050 -5.755 2.142 5.187 1.00 42.11 C ATOM 618 CG2 VAL A2050 -6.890 3.874 6.625 1.00 70.52 C ATOM 0 H VAL A2050 -3.883 5.005 7.059 1.00 40.13 H new ATOM 0 HA VAL A2050 -5.180 2.545 8.007 1.00 25.53 H new ATOM 0 HB VAL A2050 -5.106 4.149 5.486 1.00 71.33 H new ATOM 0 HG11 VAL A2050 -6.443 2.397 4.381 1.00 42.11 H new ATOM 0 HG12 VAL A2050 -4.797 1.840 4.764 1.00 42.11 H new ATOM 0 HG13 VAL A2050 -6.169 1.320 5.772 1.00 42.11 H new ATOM 0 HG21 VAL A2050 -7.556 4.093 5.791 1.00 70.52 H new ATOM 0 HG22 VAL A2050 -7.343 3.115 7.262 1.00 70.52 H new ATOM 0 HG23 VAL A2050 -6.724 4.782 7.205 1.00 70.52 H new ATOM 628 N LEU A2051 -2.471 2.640 6.159 1.00 14.42 N ATOM 629 CA LEU A2051 -1.338 1.851 5.706 1.00 23.32 C ATOM 630 C LEU A2051 -0.404 1.582 6.887 1.00 52.22 C ATOM 631 O LEU A2051 0.141 0.486 7.018 1.00 75.14 O ATOM 632 CB LEU A2051 -0.652 2.528 4.520 1.00 44.42 C ATOM 633 CG LEU A2051 -1.524 3.474 3.691 1.00 21.04 C ATOM 634 CD1 LEU A2051 -0.893 3.746 2.324 1.00 32.43 C ATOM 635 CD2 LEU A2051 -2.950 2.938 3.567 1.00 22.23 C ATOM 0 H LEU A2051 -2.421 3.631 5.922 1.00 14.42 H new ATOM 0 HA LEU A2051 -1.673 0.881 5.338 1.00 23.32 H new ATOM 0 HB2 LEU A2051 0.205 3.089 4.893 1.00 44.42 H new ATOM 0 HB3 LEU A2051 -0.263 1.753 3.860 1.00 44.42 H new ATOM 0 HG LEU A2051 -1.583 4.429 4.214 1.00 21.04 H new ATOM 0 HD11 LEU A2051 -1.533 4.421 1.756 1.00 32.43 H new ATOM 0 HD12 LEU A2051 0.087 4.204 2.460 1.00 32.43 H new ATOM 0 HD13 LEU A2051 -0.783 2.807 1.781 1.00 32.43 H new ATOM 0 HD21 LEU A2051 -3.548 3.629 2.973 1.00 22.23 H new ATOM 0 HD22 LEU A2051 -2.931 1.963 3.079 1.00 22.23 H new ATOM 0 HD23 LEU A2051 -3.389 2.839 4.560 1.00 22.23 H new ATOM 647 N GLU A2052 -0.247 2.603 7.717 1.00 33.04 N ATOM 648 CA GLU A2052 0.613 2.491 8.884 1.00 54.50 C ATOM 649 C GLU A2052 0.434 1.126 9.548 1.00 1.04 C ATOM 650 O GLU A2052 1.405 0.397 9.752 1.00 31.33 O ATOM 651 CB GLU A2052 0.340 3.624 9.877 1.00 50.10 C ATOM 652 CG GLU A2052 1.451 4.676 9.828 1.00 1.42 C ATOM 653 CD GLU A2052 2.633 4.265 10.709 1.00 14.43 C ATOM 654 OE1 GLU A2052 2.686 4.641 11.890 1.00 31.05 O ATOM 655 OE2 GLU A2052 3.518 3.529 10.129 1.00 65.32 O ATOM 0 H GLU A2052 -0.700 3.510 7.605 1.00 33.04 H new ATOM 0 HA GLU A2052 1.649 2.580 8.557 1.00 54.50 H new ATOM 0 HB2 GLU A2052 -0.618 4.091 9.647 1.00 50.10 H new ATOM 0 HB3 GLU A2052 0.263 3.218 10.886 1.00 50.10 H new ATOM 0 HG2 GLU A2052 1.787 4.807 8.800 1.00 1.42 H new ATOM 0 HG3 GLU A2052 1.061 5.638 10.161 1.00 1.42 H new ATOM 663 N PRO A2053 -0.848 0.810 9.877 1.00 51.01 N ATOM 664 CA PRO A2053 -1.167 -0.456 10.514 1.00 65.13 C ATOM 665 C PRO A2053 -1.106 -1.607 9.508 1.00 23.32 C ATOM 666 O PRO A2053 -0.475 -2.631 9.767 1.00 23.53 O ATOM 667 CB PRO A2053 -2.554 -0.260 11.106 1.00 11.31 C ATOM 668 CG PRO A2053 -3.148 0.941 10.387 1.00 24.22 C ATOM 669 CD PRO A2053 -2.022 1.647 9.651 1.00 71.41 C ATOM 0 HA PRO A2053 -0.451 -0.728 11.289 1.00 65.13 H new ATOM 0 HB2 PRO A2053 -3.170 -1.147 10.959 1.00 11.31 H new ATOM 0 HB3 PRO A2053 -2.499 -0.084 12.180 1.00 11.31 H new ATOM 0 HG2 PRO A2053 -3.921 0.623 9.687 1.00 24.22 H new ATOM 0 HG3 PRO A2053 -3.621 1.617 11.099 1.00 24.22 H new ATOM 0 HD2 PRO A2053 -2.242 1.741 8.588 1.00 71.41 H new ATOM 0 HD3 PRO A2053 -1.869 2.655 10.035 1.00 71.41 H new ATOM 677 N LEU A2054 -1.769 -1.401 8.380 1.00 42.33 N ATOM 678 CA LEU A2054 -1.798 -2.409 7.333 1.00 2.33 C ATOM 679 C LEU A2054 -0.373 -2.894 7.059 1.00 13.14 C ATOM 680 O LEU A2054 -0.102 -4.094 7.105 1.00 54.35 O ATOM 681 CB LEU A2054 -2.513 -1.873 6.091 1.00 12.35 C ATOM 682 CG LEU A2054 -4.033 -2.041 6.068 1.00 22.32 C ATOM 683 CD1 LEU A2054 -4.561 -2.446 7.446 1.00 4.41 C ATOM 684 CD2 LEU A2054 -4.718 -0.780 5.540 1.00 13.41 C ATOM 0 H LEU A2054 -2.291 -0.551 8.168 1.00 42.33 H new ATOM 0 HA LEU A2054 -2.375 -3.276 7.656 1.00 2.33 H new ATOM 0 HB2 LEU A2054 -2.283 -0.812 5.993 1.00 12.35 H new ATOM 0 HB3 LEU A2054 -2.099 -2.371 5.214 1.00 12.35 H new ATOM 0 HG LEU A2054 -4.276 -2.850 5.379 1.00 22.32 H new ATOM 0 HD11 LEU A2054 -5.644 -2.559 7.402 1.00 4.41 H new ATOM 0 HD12 LEU A2054 -4.110 -3.392 7.745 1.00 4.41 H new ATOM 0 HD13 LEU A2054 -4.306 -1.676 8.174 1.00 4.41 H new ATOM 0 HD21 LEU A2054 -5.798 -0.928 5.535 1.00 13.41 H new ATOM 0 HD22 LEU A2054 -4.470 0.065 6.183 1.00 13.41 H new ATOM 0 HD23 LEU A2054 -4.375 -0.577 4.526 1.00 13.41 H new ATOM 696 N HIS A2055 0.502 -1.937 6.783 1.00 2.41 N ATOM 697 CA HIS A2055 1.893 -2.253 6.503 1.00 33.52 C ATOM 698 C HIS A2055 2.518 -2.941 7.718 1.00 1.40 C ATOM 699 O HIS A2055 3.100 -4.017 7.594 1.00 0.20 O ATOM 700 CB HIS A2055 2.657 -0.999 6.072 1.00 35.30 C ATOM 701 CG HIS A2055 2.203 -0.426 4.751 1.00 32.11 C ATOM 702 ND1 HIS A2055 2.365 0.906 4.417 1.00 52.25 N ATOM 703 CD2 HIS A2055 1.588 -1.018 3.686 1.00 2.23 C ATOM 704 CE1 HIS A2055 1.869 1.097 3.203 1.00 42.01 C ATOM 705 NE2 HIS A2055 1.387 -0.096 2.751 1.00 15.03 N ATOM 0 H HIS A2055 0.275 -0.943 6.747 1.00 2.41 H new ATOM 0 HA HIS A2055 1.951 -2.949 5.666 1.00 33.52 H new ATOM 0 HB2 HIS A2055 2.548 -0.237 6.843 1.00 35.30 H new ATOM 0 HB3 HIS A2055 3.719 -1.237 6.007 1.00 35.30 H new ATOM 0 HD2 HIS A2055 1.312 -2.060 3.615 1.00 2.23 H new ATOM 0 HE1 HIS A2055 1.850 2.034 2.666 1.00 42.01 H new ATOM 0 HE2 HIS A2055 0.945 -0.254 1.845 1.00 15.03 H new ATOM 714 N ALA A2056 2.376 -2.289 8.863 1.00 4.44 N ATOM 715 CA ALA A2056 2.920 -2.825 10.100 1.00 75.34 C ATOM 716 C ALA A2056 2.452 -4.271 10.274 1.00 24.20 C ATOM 717 O ALA A2056 3.262 -5.167 10.509 1.00 13.12 O ATOM 718 CB ALA A2056 2.504 -1.932 11.270 1.00 71.13 C ATOM 0 H ALA A2056 1.893 -1.396 8.960 1.00 4.44 H new ATOM 0 HA ALA A2056 4.010 -2.833 10.068 1.00 75.34 H new ATOM 0 HB1 ALA A2056 2.912 -2.334 12.197 1.00 71.13 H new ATOM 0 HB2 ALA A2056 2.887 -0.924 11.112 1.00 71.13 H new ATOM 0 HB3 ALA A2056 1.416 -1.901 11.335 1.00 71.13 H new ATOM 724 N MET A2057 1.145 -4.454 10.154 1.00 64.13 N ATOM 725 CA MET A2057 0.558 -5.776 10.294 1.00 51.52 C ATOM 726 C MET A2057 1.273 -6.792 9.400 1.00 73.40 C ATOM 727 O MET A2057 1.458 -7.943 9.788 1.00 63.10 O ATOM 728 CB MET A2057 -0.924 -5.719 9.921 1.00 24.40 C ATOM 729 CG MET A2057 -1.245 -6.709 8.799 1.00 42.14 C ATOM 730 SD MET A2057 -3.009 -6.785 8.538 1.00 22.43 S ATOM 731 CE MET A2057 -3.050 -7.099 6.781 1.00 1.24 C ATOM 0 H MET A2057 0.476 -3.709 9.961 1.00 64.13 H new ATOM 0 HA MET A2057 0.668 -6.094 11.331 1.00 51.52 H new ATOM 0 HB2 MET A2057 -1.532 -5.946 10.797 1.00 24.40 H new ATOM 0 HB3 MET A2057 -1.185 -4.709 9.605 1.00 24.40 H new ATOM 0 HG2 MET A2057 -0.746 -6.403 7.879 1.00 42.14 H new ATOM 0 HG3 MET A2057 -0.864 -7.698 9.055 1.00 42.14 H new ATOM 0 HE1 MET A2057 -4.080 -7.264 6.465 1.00 1.24 H new ATOM 0 HE2 MET A2057 -2.640 -6.241 6.248 1.00 1.24 H new ATOM 0 HE3 MET A2057 -2.455 -7.984 6.556 1.00 1.24 H new ATOM 741 N MET A2058 1.653 -6.327 8.218 1.00 31.22 N ATOM 742 CA MET A2058 2.340 -7.180 7.266 1.00 71.43 C ATOM 743 C MET A2058 3.749 -7.526 7.756 1.00 14.31 C ATOM 744 O MET A2058 4.260 -8.609 7.475 1.00 54.11 O ATOM 745 CB MET A2058 2.432 -6.468 5.914 1.00 34.14 C ATOM 746 CG MET A2058 1.040 -6.202 5.341 1.00 70.35 C ATOM 747 SD MET A2058 0.697 -7.346 4.014 1.00 43.13 S ATOM 748 CE MET A2058 -0.965 -7.834 4.446 1.00 22.22 C ATOM 0 H MET A2058 1.497 -5.371 7.899 1.00 31.22 H new ATOM 0 HA MET A2058 1.773 -8.105 7.162 1.00 71.43 H new ATOM 0 HB2 MET A2058 2.968 -5.526 6.030 1.00 34.14 H new ATOM 0 HB3 MET A2058 3.006 -7.077 5.216 1.00 34.14 H new ATOM 0 HG2 MET A2058 0.289 -6.306 6.125 1.00 70.35 H new ATOM 0 HG3 MET A2058 0.978 -5.177 4.974 1.00 70.35 H new ATOM 0 HE1 MET A2058 -1.501 -8.135 3.546 1.00 22.22 H new ATOM 0 HE2 MET A2058 -0.929 -8.671 5.144 1.00 22.22 H new ATOM 0 HE3 MET A2058 -1.481 -6.995 4.912 1.00 22.22 H new ATOM 758 N GLU A2059 4.336 -6.584 8.480 1.00 75.15 N ATOM 759 CA GLU A2059 5.674 -6.775 9.013 1.00 43.14 C ATOM 760 C GLU A2059 5.636 -7.708 10.223 1.00 65.23 C ATOM 761 O GLU A2059 6.209 -8.798 10.191 1.00 75.04 O ATOM 762 CB GLU A2059 6.316 -5.434 9.374 1.00 2.22 C ATOM 763 CG GLU A2059 5.929 -4.351 8.366 1.00 52.20 C ATOM 764 CD GLU A2059 7.012 -3.274 8.274 1.00 2.12 C ATOM 765 OE1 GLU A2059 8.094 -3.528 7.724 1.00 70.11 O ATOM 766 OE2 GLU A2059 6.699 -2.138 8.799 1.00 31.35 O ATOM 0 H GLU A2059 3.909 -5.686 8.710 1.00 75.15 H new ATOM 0 HA GLU A2059 6.288 -7.239 8.241 1.00 43.14 H new ATOM 0 HB2 GLU A2059 6.002 -5.134 10.374 1.00 2.22 H new ATOM 0 HB3 GLU A2059 7.400 -5.541 9.399 1.00 2.22 H new ATOM 0 HG2 GLU A2059 5.774 -4.801 7.385 1.00 52.20 H new ATOM 0 HG3 GLU A2059 4.983 -3.896 8.661 1.00 52.20 H new ATOM 774 N ARG A2060 4.954 -7.249 11.263 1.00 11.01 N ATOM 775 CA ARG A2060 4.834 -8.031 12.483 1.00 40.03 C ATOM 776 C ARG A2060 3.908 -9.229 12.257 1.00 62.00 C ATOM 777 O ARG A2060 3.959 -10.206 13.000 1.00 52.22 O ATOM 778 CB ARG A2060 4.286 -7.180 13.629 1.00 4.24 C ATOM 779 CG ARG A2060 2.867 -6.694 13.322 1.00 64.34 C ATOM 780 CD ARG A2060 2.346 -5.788 14.438 1.00 52.24 C ATOM 781 NE ARG A2060 1.887 -6.606 15.583 1.00 5.24 N ATOM 782 CZ ARG A2060 0.760 -7.350 15.580 1.00 1.22 C ATOM 783 NH1 ARG A2060 -0.036 -7.381 14.492 1.00 64.32 N ATOM 784 NH2 ARG A2060 0.449 -8.043 16.659 1.00 12.04 N ATOM 0 H ARG A2060 4.479 -6.346 11.286 1.00 11.01 H new ATOM 0 HA ARG A2060 5.830 -8.384 12.751 1.00 40.03 H new ATOM 0 HB2 ARG A2060 4.283 -7.763 14.550 1.00 4.24 H new ATOM 0 HB3 ARG A2060 4.939 -6.324 13.795 1.00 4.24 H new ATOM 0 HG2 ARG A2060 2.861 -6.152 12.376 1.00 64.34 H new ATOM 0 HG3 ARG A2060 2.203 -7.550 13.204 1.00 64.34 H new ATOM 0 HD2 ARG A2060 3.133 -5.106 14.760 1.00 52.24 H new ATOM 0 HD3 ARG A2060 1.525 -5.175 14.066 1.00 52.24 H new ATOM 0 HE ARG A2060 2.458 -6.608 16.428 1.00 5.24 H new ATOM 0 HH11 ARG A2060 0.211 -6.840 13.663 1.00 64.32 H new ATOM 0 HH12 ARG A2060 -0.886 -7.945 14.498 1.00 64.32 H new ATOM 0 HH21 ARG A2060 1.056 -8.011 17.478 1.00 12.04 H new ATOM 0 HH22 ARG A2060 -0.399 -8.610 16.674 1.00 12.04 H new ATOM 796 N GLY A2061 3.084 -9.112 11.226 1.00 32.23 N ATOM 797 CA GLY A2061 2.148 -10.173 10.893 1.00 71.31 C ATOM 798 C GLY A2061 2.461 -10.768 9.518 1.00 74.44 C ATOM 799 O GLY A2061 1.820 -10.421 8.527 1.00 75.30 O ATOM 0 H GLY A2061 3.045 -8.300 10.611 1.00 32.23 H new ATOM 0 HA2 GLY A2061 2.194 -10.955 11.651 1.00 71.31 H new ATOM 0 HA3 GLY A2061 1.131 -9.781 10.901 1.00 71.31 H new ATOM 803 N PRO A2062 3.472 -11.676 9.502 1.00 74.22 N ATOM 804 CA PRO A2062 3.877 -12.324 8.265 1.00 71.10 C ATOM 805 C PRO A2062 2.864 -13.390 7.848 1.00 61.42 C ATOM 806 O PRO A2062 1.726 -13.389 8.315 1.00 24.52 O ATOM 807 CB PRO A2062 5.256 -12.894 8.554 1.00 43.35 C ATOM 808 CG PRO A2062 5.375 -12.950 10.068 1.00 52.12 C ATOM 809 CD PRO A2062 4.252 -12.112 10.656 1.00 42.51 C ATOM 0 HA PRO A2062 3.914 -11.635 7.421 1.00 71.10 H new ATOM 0 HB2 PRO A2062 5.368 -13.886 8.117 1.00 43.35 H new ATOM 0 HB3 PRO A2062 6.036 -12.266 8.124 1.00 43.35 H new ATOM 0 HG2 PRO A2062 5.306 -13.980 10.418 1.00 52.12 H new ATOM 0 HG3 PRO A2062 6.344 -12.568 10.389 1.00 52.12 H new ATOM 0 HD2 PRO A2062 3.644 -12.695 11.348 1.00 42.51 H new ATOM 0 HD3 PRO A2062 4.643 -11.261 11.214 1.00 42.51 H new ATOM 817 N GLN A2063 3.314 -14.277 6.972 1.00 15.34 N ATOM 818 CA GLN A2063 2.462 -15.348 6.486 1.00 64.42 C ATOM 819 C GLN A2063 3.275 -16.630 6.294 1.00 61.31 C ATOM 820 O GLN A2063 3.189 -17.551 7.104 1.00 3.33 O ATOM 821 CB GLN A2063 1.761 -14.946 5.186 1.00 75.24 C ATOM 822 CG GLN A2063 0.620 -15.909 4.856 1.00 63.40 C ATOM 823 CD GLN A2063 -0.559 -15.167 4.222 1.00 31.20 C ATOM 824 OE1 GLN A2063 -0.589 -13.950 4.142 1.00 34.21 O ATOM 825 NE2 GLN A2063 -1.526 -15.965 3.779 1.00 3.22 N ATOM 0 H GLN A2063 4.258 -14.275 6.586 1.00 15.34 H new ATOM 0 HA GLN A2063 1.691 -15.537 7.233 1.00 64.42 H new ATOM 0 HB2 GLN A2063 1.371 -13.932 5.278 1.00 75.24 H new ATOM 0 HB3 GLN A2063 2.482 -14.937 4.368 1.00 75.24 H new ATOM 0 HG2 GLN A2063 0.977 -16.681 4.175 1.00 63.40 H new ATOM 0 HG3 GLN A2063 0.291 -16.413 5.765 1.00 63.40 H new ATOM 0 HE21 GLN A2063 -1.438 -16.976 3.877 1.00 3.22 H new ATOM 0 HE22 GLN A2063 -2.356 -15.566 3.341 1.00 3.22 H new ATOM 834 N THR A2064 4.047 -16.648 5.216 1.00 34.31 N ATOM 835 CA THR A2064 4.875 -17.801 4.908 1.00 21.41 C ATOM 836 C THR A2064 5.941 -17.432 3.875 1.00 54.42 C ATOM 837 O THR A2064 5.851 -16.386 3.234 1.00 64.30 O ATOM 838 CB THR A2064 3.955 -18.935 4.454 1.00 23.54 C ATOM 839 OG1 THR A2064 4.840 -19.884 3.865 1.00 43.14 O ATOM 840 CG2 THR A2064 3.035 -18.520 3.305 1.00 72.21 C ATOM 0 H THR A2064 4.116 -15.882 4.546 1.00 34.31 H new ATOM 0 HA THR A2064 5.424 -18.140 5.787 1.00 21.41 H new ATOM 0 HB THR A2064 3.352 -19.272 5.297 1.00 23.54 H new ATOM 0 HG1 THR A2064 4.327 -20.655 3.544 1.00 43.14 H new ATOM 0 HG21 THR A2064 2.404 -19.362 3.022 1.00 72.21 H new ATOM 0 HG22 THR A2064 2.408 -17.687 3.624 1.00 72.21 H new ATOM 0 HG23 THR A2064 3.637 -18.214 2.449 1.00 72.21 H new ATOM 848 N LEU A2065 6.924 -18.309 3.748 1.00 44.31 N ATOM 849 CA LEU A2065 8.006 -18.089 2.800 1.00 13.52 C ATOM 850 C LEU A2065 7.420 -17.853 1.408 1.00 74.01 C ATOM 851 O LEU A2065 8.026 -17.171 0.583 1.00 2.32 O ATOM 852 CB LEU A2065 9.011 -19.240 2.859 1.00 33.41 C ATOM 853 CG LEU A2065 10.147 -19.088 3.874 1.00 30.24 C ATOM 854 CD1 LEU A2065 11.374 -19.895 3.446 1.00 12.42 C ATOM 855 CD2 LEU A2065 10.481 -17.613 4.106 1.00 45.11 C ATOM 0 H LEU A2065 6.996 -19.174 4.284 1.00 44.31 H new ATOM 0 HA LEU A2065 8.568 -17.193 3.064 1.00 13.52 H new ATOM 0 HB2 LEU A2065 8.469 -20.158 3.085 1.00 33.41 H new ATOM 0 HB3 LEU A2065 9.449 -19.364 1.869 1.00 33.41 H new ATOM 0 HG LEU A2065 9.811 -19.495 4.828 1.00 30.24 H new ATOM 0 HD11 LEU A2065 12.167 -19.770 4.184 1.00 12.42 H new ATOM 0 HD12 LEU A2065 11.109 -20.950 3.373 1.00 12.42 H new ATOM 0 HD13 LEU A2065 11.722 -19.541 2.476 1.00 12.42 H new ATOM 0 HD21 LEU A2065 11.291 -17.533 4.831 1.00 45.11 H new ATOM 0 HD22 LEU A2065 10.790 -17.158 3.165 1.00 45.11 H new ATOM 0 HD23 LEU A2065 9.600 -17.096 4.487 1.00 45.11 H new ATOM 867 N LYS A2066 6.248 -18.430 1.189 1.00 23.42 N ATOM 868 CA LYS A2066 5.572 -18.292 -0.091 1.00 13.23 C ATOM 869 C LYS A2066 5.050 -16.862 -0.235 1.00 13.14 C ATOM 870 O LYS A2066 5.050 -16.304 -1.331 1.00 43.33 O ATOM 871 CB LYS A2066 4.489 -19.363 -0.243 1.00 51.34 C ATOM 872 CG LYS A2066 3.936 -19.382 -1.669 1.00 44.13 C ATOM 873 CD LYS A2066 3.237 -20.708 -1.968 1.00 31.35 C ATOM 874 CE LYS A2066 1.988 -20.490 -2.823 1.00 33.45 C ATOM 875 NZ LYS A2066 0.766 -20.814 -2.052 1.00 3.04 N ATOM 0 H LYS A2066 5.748 -18.994 1.876 1.00 23.42 H new ATOM 0 HA LYS A2066 6.270 -18.460 -0.911 1.00 13.23 H new ATOM 0 HB2 LYS A2066 4.902 -20.341 0.004 1.00 51.34 H new ATOM 0 HB3 LYS A2066 3.680 -19.171 0.462 1.00 51.34 H new ATOM 0 HG2 LYS A2066 3.234 -18.559 -1.802 1.00 44.13 H new ATOM 0 HG3 LYS A2066 4.748 -19.226 -2.380 1.00 44.13 H new ATOM 0 HD2 LYS A2066 3.924 -21.376 -2.486 1.00 31.35 H new ATOM 0 HD3 LYS A2066 2.961 -21.196 -1.033 1.00 31.35 H new ATOM 0 HE2 LYS A2066 1.948 -19.454 -3.160 1.00 33.45 H new ATOM 0 HE3 LYS A2066 2.038 -21.114 -3.715 1.00 33.45 H new ATOM 0 HZ1 LYS A2066 -0.072 -20.660 -2.649 1.00 3.04 H new ATOM 0 HZ2 LYS A2066 0.799 -21.809 -1.751 1.00 3.04 H new ATOM 0 HZ3 LYS A2066 0.712 -20.201 -1.214 1.00 3.04 H new ATOM 888 N GLU A2067 4.616 -16.308 0.889 1.00 62.44 N ATOM 889 CA GLU A2067 4.091 -14.954 0.901 1.00 52.04 C ATOM 890 C GLU A2067 5.229 -13.944 1.059 1.00 13.15 C ATOM 891 O GLU A2067 5.066 -12.766 0.752 1.00 70.33 O ATOM 892 CB GLU A2067 3.047 -14.781 2.007 1.00 74.42 C ATOM 893 CG GLU A2067 1.659 -14.524 1.415 1.00 14.03 C ATOM 894 CD GLU A2067 1.360 -13.024 1.349 1.00 44.42 C ATOM 895 OE1 GLU A2067 2.292 -12.206 1.376 1.00 73.01 O ATOM 896 OE2 GLU A2067 0.110 -12.720 1.264 1.00 35.11 O ATOM 0 H GLU A2067 4.618 -16.773 1.797 1.00 62.44 H new ATOM 0 HA GLU A2067 3.597 -14.768 -0.053 1.00 52.04 H new ATOM 0 HB2 GLU A2067 3.021 -15.675 2.630 1.00 74.42 H new ATOM 0 HB3 GLU A2067 3.330 -13.950 2.653 1.00 74.42 H new ATOM 0 HG2 GLU A2067 1.601 -14.954 0.415 1.00 14.03 H new ATOM 0 HG3 GLU A2067 0.903 -15.023 2.021 1.00 14.03 H new ATOM 904 N THR A2068 6.359 -14.445 1.540 1.00 41.13 N ATOM 905 CA THR A2068 7.525 -13.602 1.743 1.00 75.52 C ATOM 906 C THR A2068 7.881 -12.865 0.449 1.00 1.35 C ATOM 907 O THR A2068 8.476 -11.789 0.488 1.00 21.12 O ATOM 908 CB THR A2068 8.659 -14.482 2.273 1.00 63.54 C ATOM 909 OG1 THR A2068 8.498 -14.440 3.687 1.00 12.14 O ATOM 910 CG2 THR A2068 10.038 -13.866 2.036 1.00 53.34 C ATOM 0 H THR A2068 6.491 -15.424 1.795 1.00 41.13 H new ATOM 0 HA THR A2068 7.327 -12.824 2.480 1.00 75.52 H new ATOM 0 HB THR A2068 8.613 -15.461 1.795 1.00 63.54 H new ATOM 0 HG1 THR A2068 9.192 -14.986 4.112 1.00 12.14 H new ATOM 0 HG21 THR A2068 10.806 -14.531 2.431 1.00 53.34 H new ATOM 0 HG22 THR A2068 10.195 -13.725 0.967 1.00 53.34 H new ATOM 0 HG23 THR A2068 10.098 -12.902 2.541 1.00 53.34 H new ATOM 918 N SER A2069 7.502 -13.474 -0.664 1.00 41.45 N ATOM 919 CA SER A2069 7.776 -12.890 -1.966 1.00 52.03 C ATOM 920 C SER A2069 6.920 -11.638 -2.168 1.00 32.51 C ATOM 921 O SER A2069 7.381 -10.650 -2.736 1.00 35.30 O ATOM 922 CB SER A2069 7.516 -13.897 -3.087 1.00 52.31 C ATOM 923 OG SER A2069 8.677 -14.123 -3.882 1.00 72.11 O ATOM 0 H SER A2069 7.008 -14.366 -0.692 1.00 41.45 H new ATOM 0 HA SER A2069 8.829 -12.612 -2.002 1.00 52.03 H new ATOM 0 HB2 SER A2069 7.182 -14.841 -2.656 1.00 52.31 H new ATOM 0 HB3 SER A2069 6.708 -13.533 -3.721 1.00 52.31 H new ATOM 0 HG SER A2069 8.470 -14.773 -4.586 1.00 72.11 H new ATOM 929 N PHE A2070 5.686 -11.719 -1.690 1.00 22.14 N ATOM 930 CA PHE A2070 4.761 -10.606 -1.811 1.00 13.30 C ATOM 931 C PHE A2070 5.261 -9.391 -1.027 1.00 34.31 C ATOM 932 O PHE A2070 5.273 -8.276 -1.547 1.00 32.11 O ATOM 933 CB PHE A2070 3.427 -11.066 -1.217 1.00 4.54 C ATOM 934 CG PHE A2070 2.365 -9.969 -1.151 1.00 73.01 C ATOM 935 CD1 PHE A2070 2.507 -8.936 -0.278 1.00 44.24 C ATOM 936 CD2 PHE A2070 1.275 -10.026 -1.964 1.00 1.23 C ATOM 937 CE1 PHE A2070 1.521 -7.915 -0.217 1.00 33.34 C ATOM 938 CE2 PHE A2070 0.288 -9.007 -1.902 1.00 24.42 C ATOM 939 CZ PHE A2070 0.432 -7.974 -1.030 1.00 74.30 C ATOM 0 H PHE A2070 5.306 -12.539 -1.218 1.00 22.14 H new ATOM 0 HA PHE A2070 4.663 -10.316 -2.857 1.00 13.30 H new ATOM 0 HB2 PHE A2070 3.042 -11.894 -1.812 1.00 4.54 H new ATOM 0 HB3 PHE A2070 3.602 -11.450 -0.212 1.00 4.54 H new ATOM 0 HD1 PHE A2070 3.370 -8.892 0.370 1.00 44.24 H new ATOM 0 HD2 PHE A2070 1.161 -10.847 -2.657 1.00 1.23 H new ATOM 0 HE1 PHE A2070 1.636 -7.093 0.474 1.00 33.34 H new ATOM 0 HE2 PHE A2070 -0.577 -9.053 -2.547 1.00 24.42 H new ATOM 0 HZ PHE A2070 -0.319 -7.199 -0.983 1.00 74.30 H new ATOM 949 N ASN A2071 5.663 -9.647 0.209 1.00 61.14 N ATOM 950 CA ASN A2071 6.162 -8.589 1.068 1.00 52.34 C ATOM 951 C ASN A2071 7.517 -8.107 0.543 1.00 20.30 C ATOM 952 O ASN A2071 7.887 -6.950 0.735 1.00 3.05 O ATOM 953 CB ASN A2071 6.362 -9.088 2.500 1.00 1.31 C ATOM 954 CG ASN A2071 5.978 -8.010 3.516 1.00 62.03 C ATOM 955 OD1 ASN A2071 4.921 -7.405 3.449 1.00 61.44 O ATOM 956 ND2 ASN A2071 6.894 -7.805 4.458 1.00 32.12 N ATOM 0 H ASN A2071 5.653 -10.573 0.636 1.00 61.14 H new ATOM 0 HA ASN A2071 5.429 -7.782 1.066 1.00 52.34 H new ATOM 0 HB2 ASN A2071 5.758 -9.980 2.666 1.00 1.31 H new ATOM 0 HB3 ASN A2071 7.403 -9.376 2.646 1.00 1.31 H new ATOM 0 HD21 ASN A2071 6.732 -7.106 5.183 1.00 32.12 H new ATOM 0 HD22 ASN A2071 7.758 -8.347 4.456 1.00 32.12 H new ATOM 963 N GLN A2072 8.219 -9.020 -0.112 1.00 62.32 N ATOM 964 CA GLN A2072 9.524 -8.705 -0.668 1.00 54.35 C ATOM 965 C GLN A2072 9.370 -7.908 -1.965 1.00 65.31 C ATOM 966 O GLN A2072 9.940 -6.828 -2.107 1.00 44.20 O ATOM 967 CB GLN A2072 10.344 -9.975 -0.897 1.00 14.23 C ATOM 968 CG GLN A2072 11.236 -10.277 0.309 1.00 21.32 C ATOM 969 CD GLN A2072 12.690 -10.481 -0.120 1.00 64.21 C ATOM 970 OE1 GLN A2072 13.130 -10.010 -1.156 1.00 24.23 O ATOM 971 NE2 GLN A2072 13.408 -11.209 0.731 1.00 3.31 N ATOM 0 H GLN A2072 7.908 -9.979 -0.270 1.00 62.32 H new ATOM 0 HA GLN A2072 10.065 -8.089 0.051 1.00 54.35 H new ATOM 0 HB2 GLN A2072 9.675 -10.816 -1.079 1.00 14.23 H new ATOM 0 HB3 GLN A2072 10.960 -9.859 -1.789 1.00 14.23 H new ATOM 0 HG2 GLN A2072 11.176 -9.457 1.024 1.00 21.32 H new ATOM 0 HG3 GLN A2072 10.875 -11.171 0.818 1.00 21.32 H new ATOM 0 HE21 GLN A2072 12.977 -11.573 1.581 1.00 3.31 H new ATOM 0 HE22 GLN A2072 14.390 -11.403 0.534 1.00 3.31 H new ATOM 980 N ALA A2073 8.597 -8.474 -2.880 1.00 70.32 N ATOM 981 CA ALA A2073 8.360 -7.832 -4.162 1.00 51.05 C ATOM 982 C ALA A2073 8.123 -6.336 -3.941 1.00 63.15 C ATOM 983 O ALA A2073 8.768 -5.502 -4.575 1.00 55.22 O ATOM 984 CB ALA A2073 7.184 -8.510 -4.865 1.00 25.52 C ATOM 0 H ALA A2073 8.126 -9.371 -2.759 1.00 70.32 H new ATOM 0 HA ALA A2073 9.230 -7.937 -4.810 1.00 51.05 H new ATOM 0 HB1 ALA A2073 7.007 -8.027 -5.826 1.00 25.52 H new ATOM 0 HB2 ALA A2073 7.414 -9.563 -5.025 1.00 25.52 H new ATOM 0 HB3 ALA A2073 6.291 -8.423 -4.246 1.00 25.52 H new ATOM 990 N TYR A2074 7.194 -6.043 -3.043 1.00 62.03 N ATOM 991 CA TYR A2074 6.866 -4.662 -2.731 1.00 63.51 C ATOM 992 C TYR A2074 7.708 -4.147 -1.562 1.00 23.30 C ATOM 993 O TYR A2074 7.784 -2.941 -1.332 1.00 20.25 O ATOM 994 CB TYR A2074 5.391 -4.664 -2.320 1.00 2.23 C ATOM 995 CG TYR A2074 4.469 -5.380 -3.310 1.00 45.30 C ATOM 996 CD1 TYR A2074 4.583 -5.130 -4.662 1.00 11.34 C ATOM 997 CD2 TYR A2074 3.525 -6.274 -2.850 1.00 52.21 C ATOM 998 CE1 TYR A2074 3.716 -5.803 -5.594 1.00 42.11 C ATOM 999 CE2 TYR A2074 2.657 -6.948 -3.782 1.00 51.31 C ATOM 1000 CZ TYR A2074 2.795 -6.679 -5.107 1.00 44.23 C ATOM 1001 OH TYR A2074 1.978 -7.316 -5.988 1.00 40.21 O ATOM 0 H TYR A2074 6.658 -6.737 -2.522 1.00 62.03 H new ATOM 0 HA TYR A2074 7.062 -4.018 -3.588 1.00 63.51 H new ATOM 0 HB2 TYR A2074 5.297 -5.139 -1.343 1.00 2.23 H new ATOM 0 HB3 TYR A2074 5.055 -3.633 -2.207 1.00 2.23 H new ATOM 0 HD1 TYR A2074 5.322 -4.430 -5.021 1.00 11.34 H new ATOM 0 HD2 TYR A2074 3.436 -6.469 -1.791 1.00 52.21 H new ATOM 0 HE1 TYR A2074 3.795 -5.617 -6.655 1.00 42.11 H new ATOM 0 HE2 TYR A2074 1.914 -7.651 -3.436 1.00 51.31 H new ATOM 0 HH TYR A2074 1.372 -7.912 -5.500 1.00 40.21 H new ATOM 1011 N GLY A2075 8.320 -5.087 -0.856 1.00 32.40 N ATOM 1012 CA GLY A2075 9.153 -4.744 0.282 1.00 50.43 C ATOM 1013 C GLY A2075 9.970 -3.480 0.003 1.00 3.22 C ATOM 1014 O GLY A2075 10.074 -2.602 0.857 1.00 63.11 O ATOM 0 H GLY A2075 8.255 -6.086 -1.051 1.00 32.40 H new ATOM 0 HA2 GLY A2075 8.528 -4.590 1.162 1.00 50.43 H new ATOM 0 HA3 GLY A2075 9.824 -5.572 0.509 1.00 50.43 H new ATOM 1018 N ARG A2076 10.529 -3.431 -1.198 1.00 41.43 N ATOM 1019 CA ARG A2076 11.333 -2.290 -1.603 1.00 13.45 C ATOM 1020 C ARG A2076 10.433 -1.113 -1.984 1.00 63.14 C ATOM 1021 O ARG A2076 10.626 0.003 -1.507 1.00 43.34 O ATOM 1022 CB ARG A2076 12.233 -2.642 -2.788 1.00 24.35 C ATOM 1023 CG ARG A2076 13.701 -2.352 -2.469 1.00 3.10 C ATOM 1024 CD ARG A2076 13.853 -0.998 -1.775 1.00 35.32 C ATOM 1025 NE ARG A2076 14.964 -0.237 -2.386 1.00 63.05 N ATOM 1026 CZ ARG A2076 15.434 0.934 -1.905 1.00 11.12 C ATOM 1027 NH1 ARG A2076 14.893 1.490 -0.800 1.00 61.24 N ATOM 1028 NH2 ARG A2076 16.433 1.530 -2.532 1.00 24.20 N ATOM 0 H ARG A2076 10.441 -4.163 -1.903 1.00 41.43 H new ATOM 0 HA ARG A2076 11.961 -2.011 -0.757 1.00 13.45 H new ATOM 0 HB2 ARG A2076 12.113 -3.696 -3.039 1.00 24.35 H new ATOM 0 HB3 ARG A2076 11.928 -2.069 -3.664 1.00 24.35 H new ATOM 0 HG2 ARG A2076 14.100 -3.139 -1.830 1.00 3.10 H new ATOM 0 HG3 ARG A2076 14.286 -2.361 -3.389 1.00 3.10 H new ATOM 0 HD2 ARG A2076 12.925 -0.432 -1.858 1.00 35.32 H new ATOM 0 HD3 ARG A2076 14.043 -1.145 -0.712 1.00 35.32 H new ATOM 0 HE ARG A2076 15.403 -0.621 -3.223 1.00 63.05 H new ATOM 0 HH11 ARG A2076 14.122 1.025 -0.320 1.00 61.24 H new ATOM 0 HH12 ARG A2076 15.255 2.375 -0.445 1.00 61.24 H new ATOM 0 HH21 ARG A2076 16.837 1.105 -3.366 1.00 24.20 H new ATOM 0 HH22 ARG A2076 16.800 2.415 -2.182 1.00 24.20 H new ATOM 1040 N ASP A2077 9.468 -1.405 -2.845 1.00 53.31 N ATOM 1041 CA ASP A2077 8.537 -0.385 -3.298 1.00 24.42 C ATOM 1042 C ASP A2077 7.935 0.324 -2.084 1.00 54.23 C ATOM 1043 O ASP A2077 8.003 1.549 -1.979 1.00 72.11 O ATOM 1044 CB ASP A2077 7.390 -1.004 -4.102 1.00 51.43 C ATOM 1045 CG ASP A2077 7.811 -1.707 -5.393 1.00 5.13 C ATOM 1046 OD1 ASP A2077 8.847 -2.390 -5.440 1.00 22.14 O ATOM 1047 OD2 ASP A2077 7.019 -1.530 -6.394 1.00 22.25 O ATOM 0 H ASP A2077 9.311 -2.332 -3.240 1.00 53.31 H new ATOM 0 HA ASP A2077 9.084 0.315 -3.930 1.00 24.42 H new ATOM 0 HB2 ASP A2077 6.868 -1.722 -3.469 1.00 51.43 H new ATOM 0 HB3 ASP A2077 6.675 -0.219 -4.350 1.00 51.43 H new ATOM 1053 N LEU A2078 7.357 -0.473 -1.198 1.00 1.15 N ATOM 1054 CA LEU A2078 6.744 0.063 0.005 1.00 61.44 C ATOM 1055 C LEU A2078 7.750 0.957 0.731 1.00 41.31 C ATOM 1056 O LEU A2078 7.382 1.995 1.281 1.00 1.23 O ATOM 1057 CB LEU A2078 6.186 -1.067 0.872 1.00 51.40 C ATOM 1058 CG LEU A2078 4.971 -1.806 0.311 1.00 32.31 C ATOM 1059 CD1 LEU A2078 4.457 -2.850 1.305 1.00 13.12 C ATOM 1060 CD2 LEU A2078 3.875 -0.823 -0.104 1.00 74.30 C ATOM 0 H LEU A2078 7.300 -1.487 -1.289 1.00 1.15 H new ATOM 0 HA LEU A2078 5.889 0.689 -0.250 1.00 61.44 H new ATOM 0 HB2 LEU A2078 6.981 -1.793 1.043 1.00 51.40 H new ATOM 0 HB3 LEU A2078 5.918 -0.653 1.844 1.00 51.40 H new ATOM 0 HG LEU A2078 5.281 -2.341 -0.587 1.00 32.31 H new ATOM 0 HD11 LEU A2078 3.593 -3.361 0.881 1.00 13.12 H new ATOM 0 HD12 LEU A2078 5.244 -3.576 1.509 1.00 13.12 H new ATOM 0 HD13 LEU A2078 4.168 -2.357 2.233 1.00 13.12 H new ATOM 0 HD21 LEU A2078 3.022 -1.375 -0.500 1.00 74.30 H new ATOM 0 HD22 LEU A2078 3.561 -0.241 0.763 1.00 74.30 H new ATOM 0 HD23 LEU A2078 4.260 -0.151 -0.871 1.00 74.30 H new ATOM 1072 N MET A2079 9.003 0.522 0.710 1.00 72.12 N ATOM 1073 CA MET A2079 10.065 1.271 1.360 1.00 2.01 C ATOM 1074 C MET A2079 10.216 2.662 0.739 1.00 24.54 C ATOM 1075 O MET A2079 10.297 3.658 1.454 1.00 52.14 O ATOM 1076 CB MET A2079 11.384 0.506 1.226 1.00 23.12 C ATOM 1077 CG MET A2079 12.100 0.409 2.576 1.00 62.52 C ATOM 1078 SD MET A2079 12.063 -1.275 3.165 1.00 75.00 S ATOM 1079 CE MET A2079 10.871 -1.115 4.485 1.00 33.25 C ATOM 0 H MET A2079 9.305 -0.339 0.253 1.00 72.12 H new ATOM 0 HA MET A2079 9.808 1.390 2.413 1.00 2.01 H new ATOM 0 HB2 MET A2079 11.191 -0.495 0.840 1.00 23.12 H new ATOM 0 HB3 MET A2079 12.028 1.008 0.504 1.00 23.12 H new ATOM 0 HG2 MET A2079 13.132 0.745 2.475 1.00 62.52 H new ATOM 0 HG3 MET A2079 11.620 1.067 3.300 1.00 62.52 H new ATOM 0 HE1 MET A2079 10.727 -2.083 4.965 1.00 33.25 H new ATOM 0 HE2 MET A2079 11.236 -0.397 5.219 1.00 33.25 H new ATOM 0 HE3 MET A2079 9.922 -0.767 4.078 1.00 33.25 H new ATOM 1089 N GLU A2080 10.250 2.681 -0.586 1.00 54.23 N ATOM 1090 CA GLU A2080 10.390 3.932 -1.311 1.00 73.24 C ATOM 1091 C GLU A2080 9.192 4.843 -1.036 1.00 14.24 C ATOM 1092 O GLU A2080 9.360 5.989 -0.620 1.00 10.43 O ATOM 1093 CB GLU A2080 10.553 3.681 -2.812 1.00 52.20 C ATOM 1094 CG GLU A2080 10.786 4.991 -3.565 1.00 42.42 C ATOM 1095 CD GLU A2080 11.295 4.726 -4.984 1.00 3.41 C ATOM 1096 OE1 GLU A2080 10.654 3.984 -5.743 1.00 3.24 O ATOM 1097 OE2 GLU A2080 12.397 5.323 -5.288 1.00 23.41 O ATOM 0 H GLU A2080 10.183 1.851 -1.175 1.00 54.23 H new ATOM 0 HA GLU A2080 11.292 4.433 -0.959 1.00 73.24 H new ATOM 0 HB2 GLU A2080 11.391 3.006 -2.982 1.00 52.20 H new ATOM 0 HB3 GLU A2080 9.662 3.188 -3.201 1.00 52.20 H new ATOM 0 HG2 GLU A2080 9.857 5.560 -3.608 1.00 42.42 H new ATOM 0 HG3 GLU A2080 11.509 5.602 -3.024 1.00 42.42 H new ATOM 1105 N ALA A2081 8.009 4.300 -1.277 1.00 33.41 N ATOM 1106 CA ALA A2081 6.783 5.050 -1.060 1.00 1.33 C ATOM 1107 C ALA A2081 6.772 5.598 0.368 1.00 55.52 C ATOM 1108 O ALA A2081 6.344 6.727 0.600 1.00 54.13 O ATOM 1109 CB ALA A2081 5.577 4.153 -1.348 1.00 63.12 C ATOM 0 H ALA A2081 7.872 3.349 -1.621 1.00 33.41 H new ATOM 0 HA ALA A2081 6.728 5.899 -1.741 1.00 1.33 H new ATOM 0 HB1 ALA A2081 4.658 4.716 -1.185 1.00 63.12 H new ATOM 0 HB2 ALA A2081 5.616 3.813 -2.383 1.00 63.12 H new ATOM 0 HB3 ALA A2081 5.597 3.291 -0.681 1.00 63.12 H new ATOM 1115 N GLN A2082 7.250 4.774 1.289 1.00 31.41 N ATOM 1116 CA GLN A2082 7.300 5.162 2.688 1.00 51.35 C ATOM 1117 C GLN A2082 8.230 6.363 2.872 1.00 72.44 C ATOM 1118 O GLN A2082 7.935 7.269 3.650 1.00 10.53 O ATOM 1119 CB GLN A2082 7.739 3.989 3.568 1.00 70.14 C ATOM 1120 CG GLN A2082 7.786 4.396 5.042 1.00 54.14 C ATOM 1121 CD GLN A2082 9.121 4.003 5.677 1.00 23.33 C ATOM 1122 OE1 GLN A2082 9.990 4.824 5.917 1.00 42.20 O ATOM 1123 NE2 GLN A2082 9.235 2.703 5.935 1.00 22.14 N ATOM 0 H GLN A2082 7.606 3.839 1.093 1.00 31.41 H new ATOM 0 HA GLN A2082 6.297 5.452 3.000 1.00 51.35 H new ATOM 0 HB2 GLN A2082 7.049 3.155 3.439 1.00 70.14 H new ATOM 0 HB3 GLN A2082 8.722 3.641 3.252 1.00 70.14 H new ATOM 0 HG2 GLN A2082 7.640 5.473 5.131 1.00 54.14 H new ATOM 0 HG3 GLN A2082 6.968 3.918 5.581 1.00 54.14 H new ATOM 0 HE21 GLN A2082 8.469 2.069 5.709 1.00 22.14 H new ATOM 0 HE22 GLN A2082 10.089 2.340 6.359 1.00 22.14 H new ATOM 1132 N GLU A2083 9.337 6.332 2.142 1.00 31.02 N ATOM 1133 CA GLU A2083 10.312 7.406 2.216 1.00 0.42 C ATOM 1134 C GLU A2083 9.696 8.717 1.720 1.00 64.43 C ATOM 1135 O GLU A2083 9.955 9.779 2.281 1.00 52.53 O ATOM 1136 CB GLU A2083 11.571 7.057 1.421 1.00 42.43 C ATOM 1137 CG GLU A2083 11.862 8.119 0.359 1.00 54.55 C ATOM 1138 CD GLU A2083 13.079 7.735 -0.484 1.00 1.44 C ATOM 1139 OE1 GLU A2083 14.222 7.872 -0.021 1.00 24.13 O ATOM 1140 OE2 GLU A2083 12.808 7.279 -1.659 1.00 71.15 O ATOM 0 H GLU A2083 9.579 5.580 1.497 1.00 31.02 H new ATOM 0 HA GLU A2083 10.604 7.536 3.258 1.00 0.42 H new ATOM 0 HB2 GLU A2083 12.421 6.973 2.098 1.00 42.43 H new ATOM 0 HB3 GLU A2083 11.446 6.085 0.944 1.00 42.43 H new ATOM 0 HG2 GLU A2083 10.992 8.240 -0.287 1.00 54.55 H new ATOM 0 HG3 GLU A2083 12.038 9.081 0.841 1.00 54.55 H new ATOM 1148 N TRP A2084 8.892 8.597 0.673 1.00 65.22 N ATOM 1149 CA TRP A2084 8.237 9.757 0.096 1.00 52.32 C ATOM 1150 C TRP A2084 7.201 10.264 1.100 1.00 72.32 C ATOM 1151 O TRP A2084 6.969 11.468 1.205 1.00 22.44 O ATOM 1152 CB TRP A2084 7.635 9.426 -1.270 1.00 23.43 C ATOM 1153 CG TRP A2084 8.674 9.129 -2.354 1.00 14.42 C ATOM 1154 CD1 TRP A2084 9.074 7.934 -2.808 1.00 20.30 C ATOM 1155 CD2 TRP A2084 9.432 10.100 -3.105 1.00 3.54 C ATOM 1156 NE1 TRP A2084 10.032 8.061 -3.793 1.00 14.31 N ATOM 1157 CE2 TRP A2084 10.256 9.421 -3.980 1.00 21.23 C ATOM 1158 CE3 TRP A2084 9.423 11.504 -3.050 1.00 33.33 C ATOM 1159 CZ2 TRP A2084 11.131 10.062 -4.864 1.00 61.55 C ATOM 1160 CZ3 TRP A2084 10.304 12.132 -3.939 1.00 33.43 C ATOM 1161 CH2 TRP A2084 11.139 11.462 -4.825 1.00 52.21 C ATOM 0 H TRP A2084 8.680 7.713 0.210 1.00 65.22 H new ATOM 0 HA TRP A2084 8.958 10.553 -0.091 1.00 52.32 H new ATOM 0 HB2 TRP A2084 6.977 8.563 -1.166 1.00 23.43 H new ATOM 0 HB3 TRP A2084 7.015 10.262 -1.595 1.00 23.43 H new ATOM 0 HD1 TRP A2084 8.694 6.989 -2.448 1.00 20.30 H new ATOM 0 HE1 TRP A2084 10.491 7.299 -4.292 1.00 14.31 H new ATOM 0 HE3 TRP A2084 8.786 12.056 -2.375 1.00 33.33 H new ATOM 0 HZ2 TRP A2084 11.766 9.507 -5.539 1.00 61.55 H new ATOM 0 HZ3 TRP A2084 10.337 13.211 -3.936 1.00 33.43 H new ATOM 0 HH2 TRP A2084 11.792 12.019 -5.481 1.00 52.21 H new ATOM 1172 N CYS A2085 6.603 9.320 1.812 1.00 25.23 N ATOM 1173 CA CYS A2085 5.595 9.656 2.804 1.00 2.44 C ATOM 1174 C CYS A2085 6.225 10.602 3.829 1.00 63.12 C ATOM 1175 O CYS A2085 5.727 11.705 4.049 1.00 61.20 O ATOM 1176 CB CYS A2085 5.016 8.403 3.466 1.00 33.31 C ATOM 1177 SG CYS A2085 4.266 8.838 5.078 1.00 12.20 S ATOM 0 H CYS A2085 6.797 8.323 1.722 1.00 25.23 H new ATOM 0 HA CYS A2085 4.756 10.154 2.319 1.00 2.44 H new ATOM 0 HB2 CYS A2085 4.266 7.952 2.816 1.00 33.31 H new ATOM 0 HB3 CYS A2085 5.802 7.661 3.609 1.00 33.31 H new ATOM 0 HG CYS A2085 2.971 8.850 4.965 1.00 12.20 H new ATOM 1183 N ARG A2086 7.313 10.137 4.426 1.00 63.24 N ATOM 1184 CA ARG A2086 8.016 10.929 5.420 1.00 40.10 C ATOM 1185 C ARG A2086 8.455 12.267 4.821 1.00 23.32 C ATOM 1186 O ARG A2086 8.417 13.296 5.495 1.00 45.55 O ATOM 1187 CB ARG A2086 9.246 10.187 5.946 1.00 4.41 C ATOM 1188 CG ARG A2086 8.888 9.319 7.154 1.00 24.11 C ATOM 1189 CD ARG A2086 8.431 7.927 6.713 1.00 62.51 C ATOM 1190 NE ARG A2086 7.681 7.271 7.806 1.00 33.13 N ATOM 1191 CZ ARG A2086 8.261 6.655 8.858 1.00 14.31 C ATOM 1192 NH1 ARG A2086 9.606 6.608 8.969 1.00 44.31 N ATOM 1193 NH2 ARG A2086 7.494 6.100 9.780 1.00 45.54 N ATOM 0 H ARG A2086 7.724 9.222 4.240 1.00 63.24 H new ATOM 0 HA ARG A2086 7.329 11.105 6.248 1.00 40.10 H new ATOM 0 HB2 ARG A2086 9.664 9.563 5.156 1.00 4.41 H new ATOM 0 HB3 ARG A2086 10.017 10.905 6.226 1.00 4.41 H new ATOM 0 HG2 ARG A2086 9.753 9.230 7.812 1.00 24.11 H new ATOM 0 HG3 ARG A2086 8.097 9.800 7.730 1.00 24.11 H new ATOM 0 HD2 ARG A2086 7.803 8.006 5.826 1.00 62.51 H new ATOM 0 HD3 ARG A2086 9.295 7.321 6.439 1.00 62.51 H new ATOM 0 HE ARG A2086 6.662 7.285 7.762 1.00 33.13 H new ATOM 0 HH11 ARG A2086 10.192 7.040 8.255 1.00 44.31 H new ATOM 0 HH12 ARG A2086 10.036 6.141 9.767 1.00 44.31 H new ATOM 0 HH21 ARG A2086 6.479 6.141 9.691 1.00 45.54 H new ATOM 0 HH22 ARG A2086 7.917 5.631 10.581 1.00 45.54 H new ATOM 1205 N LYS A2087 8.861 12.210 3.562 1.00 72.33 N ATOM 1206 CA LYS A2087 9.306 13.404 2.863 1.00 63.24 C ATOM 1207 C LYS A2087 8.194 14.455 2.900 1.00 53.45 C ATOM 1208 O LYS A2087 8.440 15.612 3.238 1.00 53.33 O ATOM 1209 CB LYS A2087 9.776 13.055 1.449 1.00 23.30 C ATOM 1210 CG LYS A2087 11.233 12.591 1.454 1.00 20.24 C ATOM 1211 CD LYS A2087 11.623 11.996 0.100 1.00 20.30 C ATOM 1212 CE LYS A2087 12.778 12.777 -0.529 1.00 13.33 C ATOM 1213 NZ LYS A2087 14.009 11.955 -0.553 1.00 65.42 N ATOM 0 H LYS A2087 8.891 11.355 3.007 1.00 72.33 H new ATOM 0 HA LYS A2087 10.172 13.837 3.363 1.00 63.24 H new ATOM 0 HB2 LYS A2087 9.142 12.271 1.035 1.00 23.30 H new ATOM 0 HB3 LYS A2087 9.670 13.926 0.802 1.00 23.30 H new ATOM 0 HG2 LYS A2087 11.886 13.432 1.687 1.00 20.24 H new ATOM 0 HG3 LYS A2087 11.379 11.848 2.238 1.00 20.24 H new ATOM 0 HD2 LYS A2087 11.911 10.952 0.227 1.00 20.30 H new ATOM 0 HD3 LYS A2087 10.763 12.010 -0.569 1.00 20.30 H new ATOM 0 HE2 LYS A2087 12.513 13.075 -1.543 1.00 13.33 H new ATOM 0 HE3 LYS A2087 12.956 13.692 0.036 1.00 13.33 H new ATOM 0 HZ1 LYS A2087 14.783 12.501 -0.983 1.00 65.42 H new ATOM 0 HZ2 LYS A2087 14.270 11.692 0.419 1.00 65.42 H new ATOM 0 HZ3 LYS A2087 13.841 11.094 -1.111 1.00 65.42 H new ATOM 1226 N TYR A2088 6.995 14.015 2.549 1.00 42.51 N ATOM 1227 CA TYR A2088 5.846 14.904 2.538 1.00 23.33 C ATOM 1228 C TYR A2088 5.428 15.278 3.962 1.00 53.42 C ATOM 1229 O TYR A2088 5.177 16.447 4.250 1.00 60.34 O ATOM 1230 CB TYR A2088 4.711 14.117 1.878 1.00 35.22 C ATOM 1231 CG TYR A2088 3.313 14.551 2.324 1.00 63.52 C ATOM 1232 CD1 TYR A2088 2.785 14.071 3.505 1.00 14.50 C ATOM 1233 CD2 TYR A2088 2.579 15.421 1.541 1.00 21.05 C ATOM 1234 CE1 TYR A2088 1.468 14.481 3.923 1.00 22.13 C ATOM 1235 CE2 TYR A2088 1.263 15.829 1.959 1.00 25.33 C ATOM 1236 CZ TYR A2088 0.773 15.339 3.129 1.00 14.31 C ATOM 1237 OH TYR A2088 -0.470 15.724 3.524 1.00 14.22 O ATOM 0 H TYR A2088 6.794 13.055 2.270 1.00 42.51 H new ATOM 0 HA TYR A2088 6.080 15.827 2.007 1.00 23.33 H new ATOM 0 HB2 TYR A2088 4.787 14.227 0.796 1.00 35.22 H new ATOM 0 HB3 TYR A2088 4.840 13.058 2.100 1.00 35.22 H new ATOM 0 HD1 TYR A2088 3.358 13.389 4.115 1.00 14.50 H new ATOM 0 HD2 TYR A2088 2.992 15.795 0.616 1.00 21.05 H new ATOM 0 HE1 TYR A2088 1.043 14.115 4.846 1.00 22.13 H new ATOM 0 HE2 TYR A2088 0.678 16.509 1.357 1.00 25.33 H new ATOM 0 HH TYR A2088 -0.848 16.339 2.861 1.00 14.22 H new ATOM 1247 N MET A2089 5.372 14.266 4.814 1.00 3.04 N ATOM 1248 CA MET A2089 4.990 14.477 6.200 1.00 23.24 C ATOM 1249 C MET A2089 5.901 15.507 6.869 1.00 75.11 C ATOM 1250 O MET A2089 5.473 16.227 7.769 1.00 34.02 O ATOM 1251 CB MET A2089 5.076 13.149 6.959 1.00 13.22 C ATOM 1252 CG MET A2089 3.960 12.198 6.526 1.00 62.32 C ATOM 1253 SD MET A2089 3.379 11.259 7.928 1.00 1.35 S ATOM 1254 CE MET A2089 1.617 11.375 7.673 1.00 41.23 C ATOM 0 H MET A2089 5.584 13.298 4.572 1.00 3.04 H new ATOM 0 HA MET A2089 3.968 14.855 6.223 1.00 23.24 H new ATOM 0 HB2 MET A2089 6.045 12.685 6.778 1.00 13.22 H new ATOM 0 HB3 MET A2089 5.006 13.333 8.031 1.00 13.22 H new ATOM 0 HG2 MET A2089 3.137 12.765 6.091 1.00 62.32 H new ATOM 0 HG3 MET A2089 4.326 11.523 5.752 1.00 62.32 H new ATOM 0 HE1 MET A2089 1.150 11.813 8.555 1.00 41.23 H new ATOM 0 HE2 MET A2089 1.415 12.004 6.806 1.00 41.23 H new ATOM 0 HE3 MET A2089 1.208 10.379 7.502 1.00 41.23 H new ATOM 1264 N LYS A2090 7.141 15.544 6.404 1.00 2.30 N ATOM 1265 CA LYS A2090 8.116 16.475 6.947 1.00 2.44 C ATOM 1266 C LYS A2090 8.146 17.738 6.083 1.00 64.34 C ATOM 1267 O LYS A2090 7.928 18.842 6.579 1.00 3.40 O ATOM 1268 CB LYS A2090 9.481 15.798 7.094 1.00 23.42 C ATOM 1269 CG LYS A2090 9.952 15.828 8.549 1.00 72.04 C ATOM 1270 CD LYS A2090 10.256 17.259 8.998 1.00 41.01 C ATOM 1271 CE LYS A2090 9.222 17.745 10.016 1.00 64.33 C ATOM 1272 NZ LYS A2090 9.736 18.920 10.754 1.00 14.42 N ATOM 0 H LYS A2090 7.493 14.945 5.658 1.00 2.30 H new ATOM 0 HA LYS A2090 7.829 16.783 7.952 1.00 2.44 H new ATOM 0 HB2 LYS A2090 9.418 14.766 6.749 1.00 23.42 H new ATOM 0 HB3 LYS A2090 10.211 16.302 6.461 1.00 23.42 H new ATOM 0 HG2 LYS A2090 9.185 15.397 9.192 1.00 72.04 H new ATOM 0 HG3 LYS A2090 10.844 15.211 8.659 1.00 72.04 H new ATOM 0 HD2 LYS A2090 11.253 17.302 9.437 1.00 41.01 H new ATOM 0 HD3 LYS A2090 10.260 17.922 8.133 1.00 41.01 H new ATOM 0 HE2 LYS A2090 8.295 18.005 9.506 1.00 64.33 H new ATOM 0 HE3 LYS A2090 8.986 16.943 10.716 1.00 64.33 H new ATOM 0 HZ1 LYS A2090 9.023 19.238 11.441 1.00 14.42 H new ATOM 0 HZ2 LYS A2090 10.609 18.660 11.256 1.00 14.42 H new ATOM 0 HZ3 LYS A2090 9.938 19.689 10.084 1.00 14.42 H new ATOM 1285 N SER A2091 8.418 17.531 4.802 1.00 63.13 N ATOM 1286 CA SER A2091 8.479 18.639 3.862 1.00 41.02 C ATOM 1287 C SER A2091 7.079 19.209 3.634 1.00 65.25 C ATOM 1288 O SER A2091 6.817 20.367 3.950 1.00 15.10 O ATOM 1289 CB SER A2091 9.097 18.200 2.533 1.00 5.12 C ATOM 1290 OG SER A2091 9.317 19.302 1.656 1.00 23.42 O ATOM 0 H SER A2091 8.598 16.614 4.393 1.00 63.13 H new ATOM 0 HA SER A2091 9.115 19.415 4.288 1.00 41.02 H new ATOM 0 HB2 SER A2091 10.043 17.694 2.723 1.00 5.12 H new ATOM 0 HB3 SER A2091 8.440 17.477 2.049 1.00 5.12 H new ATOM 0 HG SER A2091 9.714 18.980 0.820 1.00 23.42 H new ATOM 1296 N GLY A2092 6.215 18.368 3.083 1.00 52.51 N ATOM 1297 CA GLY A2092 4.847 18.773 2.808 1.00 54.25 C ATOM 1298 C GLY A2092 4.683 19.190 1.345 1.00 64.43 C ATOM 1299 O GLY A2092 4.753 20.374 1.020 1.00 74.32 O ATOM 0 H GLY A2092 6.436 17.408 2.820 1.00 52.51 H new ATOM 0 HA2 GLY A2092 4.168 17.951 3.034 1.00 54.25 H new ATOM 0 HA3 GLY A2092 4.571 19.602 3.459 1.00 54.25 H new ATOM 1303 N ASN A2093 4.466 18.192 0.500 1.00 62.04 N ATOM 1304 CA ASN A2093 4.291 18.439 -0.921 1.00 31.33 C ATOM 1305 C ASN A2093 3.425 17.332 -1.525 1.00 3.23 C ATOM 1306 O ASN A2093 3.739 16.151 -1.390 1.00 0.15 O ATOM 1307 CB ASN A2093 5.636 18.439 -1.650 1.00 32.11 C ATOM 1308 CG ASN A2093 5.883 19.779 -2.345 1.00 13.33 C ATOM 1309 OD1 ASN A2093 5.074 20.267 -3.119 1.00 3.15 O ATOM 1310 ND2 ASN A2093 7.045 20.347 -2.029 1.00 23.33 N ATOM 0 H ASN A2093 4.407 17.211 0.773 1.00 62.04 H new ATOM 0 HA ASN A2093 3.818 19.414 -1.037 1.00 31.33 H new ATOM 0 HB2 ASN A2093 6.439 18.240 -0.940 1.00 32.11 H new ATOM 0 HB3 ASN A2093 5.655 17.635 -2.386 1.00 32.11 H new ATOM 0 HD21 ASN A2093 7.303 21.243 -2.442 1.00 23.33 H new ATOM 0 HD22 ASN A2093 7.677 19.886 -1.374 1.00 23.33 H new ATOM 1317 N VAL A2094 2.352 17.752 -2.178 1.00 14.21 N ATOM 1318 CA VAL A2094 1.439 16.811 -2.802 1.00 13.43 C ATOM 1319 C VAL A2094 2.188 16.020 -3.877 1.00 62.23 C ATOM 1320 O VAL A2094 1.963 14.821 -4.039 1.00 62.11 O ATOM 1321 CB VAL A2094 0.215 17.550 -3.346 1.00 40.30 C ATOM 1322 CG1 VAL A2094 0.533 18.227 -4.681 1.00 51.51 C ATOM 1323 CG2 VAL A2094 -0.982 16.606 -3.481 1.00 4.52 C ATOM 0 H VAL A2094 2.094 18.733 -2.288 1.00 14.21 H new ATOM 0 HA VAL A2094 1.068 16.094 -2.069 1.00 13.43 H new ATOM 0 HB VAL A2094 -0.052 18.328 -2.630 1.00 40.30 H new ATOM 0 HG11 VAL A2094 -0.354 18.745 -5.046 1.00 51.51 H new ATOM 0 HG12 VAL A2094 1.341 18.945 -4.542 1.00 51.51 H new ATOM 0 HG13 VAL A2094 0.838 17.474 -5.407 1.00 51.51 H new ATOM 0 HG21 VAL A2094 -1.838 17.157 -3.870 1.00 4.52 H new ATOM 0 HG22 VAL A2094 -0.731 15.796 -4.166 1.00 4.52 H new ATOM 0 HG23 VAL A2094 -1.231 16.192 -2.504 1.00 4.52 H new ATOM 1333 N LYS A2095 3.058 16.722 -4.585 1.00 22.02 N ATOM 1334 CA LYS A2095 3.840 16.101 -5.641 1.00 11.41 C ATOM 1335 C LYS A2095 4.483 14.819 -5.105 1.00 65.22 C ATOM 1336 O LYS A2095 4.357 13.756 -5.713 1.00 54.21 O ATOM 1337 CB LYS A2095 4.845 17.097 -6.221 1.00 4.12 C ATOM 1338 CG LYS A2095 5.543 16.517 -7.453 1.00 5.31 C ATOM 1339 CD LYS A2095 6.467 17.554 -8.099 1.00 71.11 C ATOM 1340 CE LYS A2095 7.903 17.032 -8.180 1.00 71.01 C ATOM 1341 NZ LYS A2095 8.861 18.096 -7.809 1.00 12.53 N ATOM 0 H LYS A2095 3.240 17.716 -4.449 1.00 22.02 H new ATOM 0 HA LYS A2095 3.197 15.813 -6.473 1.00 11.41 H new ATOM 0 HB2 LYS A2095 4.333 18.021 -6.490 1.00 4.12 H new ATOM 0 HB3 LYS A2095 5.587 17.352 -5.465 1.00 4.12 H new ATOM 0 HG2 LYS A2095 6.120 15.638 -7.168 1.00 5.31 H new ATOM 0 HG3 LYS A2095 4.797 16.188 -8.177 1.00 5.31 H new ATOM 0 HD2 LYS A2095 6.107 17.795 -9.099 1.00 71.11 H new ATOM 0 HD3 LYS A2095 6.444 18.478 -7.521 1.00 71.11 H new ATOM 0 HE2 LYS A2095 8.024 16.177 -7.515 1.00 71.01 H new ATOM 0 HE3 LYS A2095 8.113 16.681 -9.191 1.00 71.01 H new ATOM 0 HZ1 LYS A2095 9.831 17.726 -7.869 1.00 12.53 H new ATOM 0 HZ2 LYS A2095 8.756 18.900 -8.460 1.00 12.53 H new ATOM 0 HZ3 LYS A2095 8.670 18.411 -6.836 1.00 12.53 H new ATOM 1354 N ASP A2096 5.160 14.962 -3.975 1.00 42.23 N ATOM 1355 CA ASP A2096 5.823 13.829 -3.352 1.00 43.44 C ATOM 1356 C ASP A2096 4.772 12.812 -2.902 1.00 70.15 C ATOM 1357 O ASP A2096 4.948 11.610 -3.086 1.00 42.50 O ATOM 1358 CB ASP A2096 6.617 14.265 -2.119 1.00 40.02 C ATOM 1359 CG ASP A2096 7.011 13.133 -1.170 1.00 40.33 C ATOM 1360 OD1 ASP A2096 6.236 12.193 -0.939 1.00 41.23 O ATOM 1361 OD2 ASP A2096 8.188 13.243 -0.650 1.00 62.01 O ATOM 0 H ASP A2096 5.264 15.845 -3.475 1.00 42.23 H new ATOM 0 HA ASP A2096 6.503 13.393 -4.084 1.00 43.44 H new ATOM 0 HB2 ASP A2096 7.523 14.773 -2.450 1.00 40.02 H new ATOM 0 HB3 ASP A2096 6.027 14.995 -1.565 1.00 40.02 H new ATOM 1367 N LEU A2097 3.700 13.334 -2.321 1.00 72.01 N ATOM 1368 CA LEU A2097 2.620 12.487 -1.845 1.00 41.42 C ATOM 1369 C LEU A2097 2.071 11.663 -3.010 1.00 63.23 C ATOM 1370 O LEU A2097 1.877 10.455 -2.884 1.00 22.24 O ATOM 1371 CB LEU A2097 1.558 13.323 -1.130 1.00 40.50 C ATOM 1372 CG LEU A2097 0.297 12.576 -0.694 1.00 12.05 C ATOM 1373 CD1 LEU A2097 0.633 11.158 -0.231 1.00 31.11 C ATOM 1374 CD2 LEU A2097 -0.464 13.363 0.376 1.00 71.13 C ATOM 0 H LEU A2097 3.557 14.333 -2.170 1.00 72.01 H new ATOM 0 HA LEU A2097 2.991 11.781 -1.102 1.00 41.42 H new ATOM 0 HB2 LEU A2097 2.012 13.774 -0.248 1.00 40.50 H new ATOM 0 HB3 LEU A2097 1.263 14.140 -1.789 1.00 40.50 H new ATOM 0 HG LEU A2097 -0.362 12.485 -1.557 1.00 12.05 H new ATOM 0 HD11 LEU A2097 -0.281 10.649 0.074 1.00 31.11 H new ATOM 0 HD12 LEU A2097 1.099 10.609 -1.049 1.00 31.11 H new ATOM 0 HD13 LEU A2097 1.321 11.204 0.613 1.00 31.11 H new ATOM 0 HD21 LEU A2097 -1.356 12.810 0.669 1.00 71.13 H new ATOM 0 HD22 LEU A2097 0.176 13.506 1.247 1.00 71.13 H new ATOM 0 HD23 LEU A2097 -0.754 14.334 -0.024 1.00 71.13 H new ATOM 1386 N THR A2098 1.838 12.348 -4.120 1.00 63.32 N ATOM 1387 CA THR A2098 1.316 11.694 -5.307 1.00 61.54 C ATOM 1388 C THR A2098 2.246 10.561 -5.746 1.00 1.10 C ATOM 1389 O THR A2098 1.786 9.463 -6.062 1.00 42.23 O ATOM 1390 CB THR A2098 1.112 12.762 -6.385 1.00 63.01 C ATOM 1391 OG1 THR A2098 0.015 13.535 -5.903 1.00 2.23 O ATOM 1392 CG2 THR A2098 0.603 12.176 -7.702 1.00 62.21 C ATOM 0 H THR A2098 2.001 13.350 -4.222 1.00 63.32 H new ATOM 0 HA THR A2098 0.353 11.224 -5.107 1.00 61.54 H new ATOM 0 HB THR A2098 2.052 13.285 -6.560 1.00 63.01 H new ATOM 0 HG1 THR A2098 0.326 14.138 -5.196 1.00 2.23 H new ATOM 0 HG21 THR A2098 0.476 12.976 -8.431 1.00 62.21 H new ATOM 0 HG22 THR A2098 1.324 11.451 -8.081 1.00 62.21 H new ATOM 0 HG23 THR A2098 -0.354 11.682 -7.535 1.00 62.21 H new ATOM 1400 N GLN A2099 3.534 10.863 -5.749 1.00 40.13 N ATOM 1401 CA GLN A2099 4.533 9.884 -6.143 1.00 30.35 C ATOM 1402 C GLN A2099 4.400 8.619 -5.292 1.00 55.33 C ATOM 1403 O GLN A2099 4.383 7.510 -5.822 1.00 13.03 O ATOM 1404 CB GLN A2099 5.944 10.467 -6.041 1.00 61.44 C ATOM 1405 CG GLN A2099 6.638 10.464 -7.404 1.00 63.34 C ATOM 1406 CD GLN A2099 7.424 11.758 -7.623 1.00 31.23 C ATOM 1407 OE1 GLN A2099 6.950 12.854 -7.369 1.00 31.34 O ATOM 1408 NE2 GLN A2099 8.648 11.573 -8.106 1.00 11.34 N ATOM 0 H GLN A2099 3.911 11.773 -5.485 1.00 40.13 H new ATOM 0 HA GLN A2099 4.361 9.618 -7.186 1.00 30.35 H new ATOM 0 HB2 GLN A2099 5.894 11.486 -5.657 1.00 61.44 H new ATOM 0 HB3 GLN A2099 6.531 9.887 -5.329 1.00 61.44 H new ATOM 0 HG2 GLN A2099 7.312 9.610 -7.471 1.00 63.34 H new ATOM 0 HG3 GLN A2099 5.896 10.347 -8.194 1.00 63.34 H new ATOM 0 HE21 GLN A2099 8.984 10.629 -8.297 1.00 11.34 H new ATOM 0 HE22 GLN A2099 9.252 12.375 -8.286 1.00 11.34 H new ATOM 1417 N ALA A2100 4.308 8.829 -3.986 1.00 72.21 N ATOM 1418 CA ALA A2100 4.176 7.720 -3.058 1.00 64.12 C ATOM 1419 C ALA A2100 2.900 6.940 -3.379 1.00 31.12 C ATOM 1420 O ALA A2100 2.921 5.713 -3.452 1.00 64.22 O ATOM 1421 CB ALA A2100 4.190 8.252 -1.622 1.00 24.32 C ATOM 0 H ALA A2100 4.322 9.751 -3.550 1.00 72.21 H new ATOM 0 HA ALA A2100 5.016 7.032 -3.159 1.00 64.12 H new ATOM 0 HB1 ALA A2100 4.091 7.420 -0.925 1.00 24.32 H new ATOM 0 HB2 ALA A2100 5.130 8.772 -1.436 1.00 24.32 H new ATOM 0 HB3 ALA A2100 3.359 8.944 -1.482 1.00 24.32 H new ATOM 1427 N TRP A2101 1.819 7.684 -3.561 1.00 64.35 N ATOM 1428 CA TRP A2101 0.536 7.078 -3.873 1.00 14.22 C ATOM 1429 C TRP A2101 0.699 6.264 -5.157 1.00 21.41 C ATOM 1430 O TRP A2101 0.022 5.252 -5.346 1.00 41.54 O ATOM 1431 CB TRP A2101 -0.561 8.138 -3.971 1.00 20.20 C ATOM 1432 CG TRP A2101 -1.615 8.047 -2.864 1.00 34.23 C ATOM 1433 CD1 TRP A2101 -1.772 8.854 -1.806 1.00 23.05 C ATOM 1434 CD2 TRP A2101 -2.660 7.057 -2.750 1.00 23.35 C ATOM 1435 NE1 TRP A2101 -2.835 8.457 -1.021 1.00 53.33 N ATOM 1436 CE2 TRP A2101 -3.392 7.330 -1.614 1.00 1.04 C ATOM 1437 CE3 TRP A2101 -2.973 5.966 -3.581 1.00 11.31 C ATOM 1438 CZ2 TRP A2101 -4.486 6.558 -1.204 1.00 31.22 C ATOM 1439 CZ3 TRP A2101 -4.070 5.205 -3.156 1.00 45.13 C ATOM 1440 CH2 TRP A2101 -4.818 5.467 -2.015 1.00 2.44 C ATOM 0 H TRP A2101 1.805 8.702 -3.498 1.00 64.35 H new ATOM 0 HA TRP A2101 0.220 6.407 -3.074 1.00 14.22 H new ATOM 0 HB2 TRP A2101 -0.101 9.126 -3.941 1.00 20.20 H new ATOM 0 HB3 TRP A2101 -1.056 8.046 -4.938 1.00 20.20 H new ATOM 0 HD1 TRP A2101 -1.145 9.708 -1.594 1.00 23.05 H new ATOM 0 HE1 TRP A2101 -3.154 8.908 -0.163 1.00 53.33 H new ATOM 0 HE3 TRP A2101 -2.413 5.734 -4.475 1.00 11.31 H new ATOM 0 HZ2 TRP A2101 -5.044 6.792 -0.309 1.00 31.22 H new ATOM 0 HZ3 TRP A2101 -4.354 4.355 -3.758 1.00 45.13 H new ATOM 0 HH2 TRP A2101 -5.652 4.832 -1.755 1.00 2.44 H new ATOM 1451 N ASP A2102 1.596 6.736 -6.010 1.00 51.50 N ATOM 1452 CA ASP A2102 1.856 6.064 -7.273 1.00 30.15 C ATOM 1453 C ASP A2102 2.481 4.695 -6.998 1.00 65.44 C ATOM 1454 O ASP A2102 2.030 3.684 -7.535 1.00 60.43 O ATOM 1455 CB ASP A2102 2.833 6.867 -8.133 1.00 14.05 C ATOM 1456 CG ASP A2102 2.697 6.647 -9.641 1.00 11.22 C ATOM 1457 OD1 ASP A2102 2.565 5.507 -10.111 1.00 63.41 O ATOM 1458 OD2 ASP A2102 2.735 7.721 -10.353 1.00 65.44 O ATOM 0 H ASP A2102 2.152 7.576 -5.852 1.00 51.50 H new ATOM 0 HA ASP A2102 0.909 5.963 -7.803 1.00 30.15 H new ATOM 0 HB2 ASP A2102 2.693 7.927 -7.921 1.00 14.05 H new ATOM 0 HB3 ASP A2102 3.850 6.613 -7.834 1.00 14.05 H new ATOM 1464 N LEU A2103 3.508 4.706 -6.162 1.00 44.10 N ATOM 1465 CA LEU A2103 4.200 3.477 -5.810 1.00 74.24 C ATOM 1466 C LEU A2103 3.187 2.461 -5.281 1.00 22.05 C ATOM 1467 O LEU A2103 3.127 1.331 -5.763 1.00 51.30 O ATOM 1468 CB LEU A2103 5.345 3.768 -4.838 1.00 65.22 C ATOM 1469 CG LEU A2103 6.659 4.238 -5.469 1.00 64.53 C ATOM 1470 CD1 LEU A2103 6.611 5.733 -5.784 1.00 43.44 C ATOM 1471 CD2 LEU A2103 7.853 3.874 -4.585 1.00 74.54 C ATOM 0 H LEU A2103 3.878 5.546 -5.718 1.00 44.10 H new ATOM 0 HA LEU A2103 4.665 3.035 -6.691 1.00 74.24 H new ATOM 0 HB2 LEU A2103 5.011 4.529 -4.132 1.00 65.22 H new ATOM 0 HB3 LEU A2103 5.545 2.864 -4.262 1.00 65.22 H new ATOM 0 HG LEU A2103 6.790 3.715 -6.416 1.00 64.53 H new ATOM 0 HD11 LEU A2103 7.556 6.041 -6.231 1.00 43.44 H new ATOM 0 HD12 LEU A2103 5.798 5.932 -6.482 1.00 43.44 H new ATOM 0 HD13 LEU A2103 6.445 6.294 -4.864 1.00 43.44 H new ATOM 0 HD21 LEU A2103 8.773 4.219 -5.056 1.00 74.54 H new ATOM 0 HD22 LEU A2103 7.743 4.351 -3.611 1.00 74.54 H new ATOM 0 HD23 LEU A2103 7.895 2.792 -4.457 1.00 74.54 H new ATOM 1483 N TYR A2104 2.416 2.898 -4.296 1.00 31.10 N ATOM 1484 CA TYR A2104 1.409 2.041 -3.697 1.00 34.33 C ATOM 1485 C TYR A2104 0.474 1.464 -4.761 1.00 44.14 C ATOM 1486 O TYR A2104 0.325 0.247 -4.868 1.00 1.24 O ATOM 1487 CB TYR A2104 0.599 2.935 -2.755 1.00 65.33 C ATOM 1488 CG TYR A2104 1.305 3.249 -1.434 1.00 15.20 C ATOM 1489 CD1 TYR A2104 1.952 2.246 -0.743 1.00 31.41 C ATOM 1490 CD2 TYR A2104 1.293 4.535 -0.934 1.00 50.44 C ATOM 1491 CE1 TYR A2104 2.616 2.541 0.501 1.00 25.11 C ATOM 1492 CE2 TYR A2104 1.956 4.831 0.308 1.00 2.42 C ATOM 1493 CZ TYR A2104 2.586 3.819 0.964 1.00 33.43 C ATOM 1494 OH TYR A2104 3.213 4.098 2.140 1.00 64.23 O ATOM 0 H TYR A2104 2.469 3.836 -3.898 1.00 31.10 H new ATOM 0 HA TYR A2104 1.878 1.204 -3.180 1.00 34.33 H new ATOM 0 HB2 TYR A2104 0.372 3.871 -3.265 1.00 65.33 H new ATOM 0 HB3 TYR A2104 -0.353 2.450 -2.540 1.00 65.33 H new ATOM 0 HD1 TYR A2104 1.961 1.239 -1.134 1.00 31.41 H new ATOM 0 HD2 TYR A2104 0.786 5.320 -1.475 1.00 50.44 H new ATOM 0 HE1 TYR A2104 3.126 1.765 1.053 1.00 25.11 H new ATOM 0 HE2 TYR A2104 1.954 5.833 0.710 1.00 2.42 H new ATOM 0 HH TYR A2104 3.111 5.050 2.347 1.00 64.23 H new ATOM 1504 N TYR A2105 -0.129 2.365 -5.523 1.00 11.33 N ATOM 1505 CA TYR A2105 -1.046 1.960 -6.577 1.00 23.24 C ATOM 1506 C TYR A2105 -0.429 0.863 -7.448 1.00 64.30 C ATOM 1507 O TYR A2105 -1.126 -0.049 -7.888 1.00 62.43 O ATOM 1508 CB TYR A2105 -1.277 3.206 -7.434 1.00 11.41 C ATOM 1509 CG TYR A2105 -2.670 3.276 -8.066 1.00 12.33 C ATOM 1510 CD1 TYR A2105 -3.323 2.115 -8.429 1.00 52.21 C ATOM 1511 CD2 TYR A2105 -3.273 4.501 -8.269 1.00 25.32 C ATOM 1512 CE1 TYR A2105 -4.633 2.183 -9.023 1.00 14.32 C ATOM 1513 CE2 TYR A2105 -4.583 4.567 -8.862 1.00 3.13 C ATOM 1514 CZ TYR A2105 -5.199 3.405 -9.208 1.00 60.05 C ATOM 1515 OH TYR A2105 -6.437 3.468 -9.769 1.00 52.32 O ATOM 0 H TYR A2105 -0.001 3.373 -5.432 1.00 11.33 H new ATOM 0 HA TYR A2105 -1.970 1.566 -6.153 1.00 23.24 H new ATOM 0 HB2 TYR A2105 -1.124 4.092 -6.818 1.00 11.41 H new ATOM 0 HB3 TYR A2105 -0.528 3.234 -8.225 1.00 11.41 H new ATOM 0 HD1 TYR A2105 -2.852 1.157 -8.268 1.00 52.21 H new ATOM 0 HD2 TYR A2105 -2.763 5.409 -7.983 1.00 25.32 H new ATOM 0 HE1 TYR A2105 -5.154 1.283 -9.315 1.00 14.32 H new ATOM 0 HE2 TYR A2105 -5.066 5.518 -9.028 1.00 3.13 H new ATOM 0 HH TYR A2105 -6.717 4.405 -9.839 1.00 52.32 H new ATOM 1525 N HIS A2106 0.871 0.987 -7.667 1.00 70.21 N ATOM 1526 CA HIS A2106 1.589 0.019 -8.478 1.00 2.34 C ATOM 1527 C HIS A2106 1.518 -1.358 -7.814 1.00 65.31 C ATOM 1528 O HIS A2106 1.164 -2.345 -8.458 1.00 32.10 O ATOM 1529 CB HIS A2106 3.025 0.480 -8.733 1.00 2.40 C ATOM 1530 CG HIS A2106 3.376 0.616 -10.195 1.00 44.32 C ATOM 1531 ND1 HIS A2106 2.860 1.615 -11.001 1.00 72.15 N ATOM 1532 CD2 HIS A2106 4.197 -0.133 -10.989 1.00 15.50 C ATOM 1533 CE1 HIS A2106 3.353 1.465 -12.221 1.00 3.31 C ATOM 1534 NE2 HIS A2106 4.181 0.382 -12.211 1.00 64.43 N ATOM 0 H HIS A2106 1.446 1.744 -7.297 1.00 70.21 H new ATOM 0 HA HIS A2106 1.117 -0.062 -9.457 1.00 2.34 H new ATOM 0 HB2 HIS A2106 3.180 1.441 -8.242 1.00 2.40 H new ATOM 0 HB3 HIS A2106 3.711 -0.229 -8.270 1.00 2.40 H new ATOM 0 HD2 HIS A2106 4.763 -0.998 -10.675 1.00 15.50 H new ATOM 0 HE1 HIS A2106 3.137 2.091 -13.074 1.00 3.31 H new ATOM 0 HE2 HIS A2106 4.703 0.026 -13.012 1.00 64.43 H new ATOM 1543 N VAL A2107 1.861 -1.381 -6.535 1.00 10.40 N ATOM 1544 CA VAL A2107 1.841 -2.620 -5.776 1.00 63.22 C ATOM 1545 C VAL A2107 0.391 -3.053 -5.553 1.00 30.24 C ATOM 1546 O VAL A2107 0.037 -4.204 -5.800 1.00 61.32 O ATOM 1547 CB VAL A2107 2.622 -2.447 -4.472 1.00 33.24 C ATOM 1548 CG1 VAL A2107 3.743 -1.420 -4.635 1.00 15.32 C ATOM 1549 CG2 VAL A2107 1.688 -2.061 -3.320 1.00 63.33 C ATOM 0 H VAL A2107 2.155 -0.561 -6.004 1.00 10.40 H new ATOM 0 HA VAL A2107 2.336 -3.417 -6.331 1.00 63.22 H new ATOM 0 HB VAL A2107 3.080 -3.405 -4.227 1.00 33.24 H new ATOM 0 HG11 VAL A2107 4.282 -1.317 -3.693 1.00 15.32 H new ATOM 0 HG12 VAL A2107 4.431 -1.753 -5.412 1.00 15.32 H new ATOM 0 HG13 VAL A2107 3.316 -0.457 -4.916 1.00 15.32 H new ATOM 0 HG21 VAL A2107 2.268 -1.944 -2.405 1.00 63.33 H new ATOM 0 HG22 VAL A2107 1.189 -1.121 -3.556 1.00 63.33 H new ATOM 0 HG23 VAL A2107 0.942 -2.843 -3.179 1.00 63.33 H new ATOM 1559 N PHE A2108 -0.411 -2.105 -5.087 1.00 3.24 N ATOM 1560 CA PHE A2108 -1.816 -2.374 -4.828 1.00 3.32 C ATOM 1561 C PHE A2108 -2.533 -2.821 -6.103 1.00 13.24 C ATOM 1562 O PHE A2108 -3.495 -3.584 -6.043 1.00 52.13 O ATOM 1563 CB PHE A2108 -2.438 -1.066 -4.337 1.00 41.53 C ATOM 1564 CG PHE A2108 -2.359 -0.869 -2.822 1.00 73.54 C ATOM 1565 CD1 PHE A2108 -1.248 -0.321 -2.264 1.00 31.32 C ATOM 1566 CD2 PHE A2108 -3.404 -1.243 -2.033 1.00 43.12 C ATOM 1567 CE1 PHE A2108 -1.175 -0.140 -0.857 1.00 75.02 C ATOM 1568 CE2 PHE A2108 -3.332 -1.059 -0.626 1.00 41.10 C ATOM 1569 CZ PHE A2108 -2.219 -0.511 -0.068 1.00 5.40 C ATOM 0 H PHE A2108 -0.115 -1.151 -4.882 1.00 3.24 H new ATOM 0 HA PHE A2108 -1.913 -3.172 -4.092 1.00 3.32 H new ATOM 0 HB2 PHE A2108 -1.938 -0.231 -4.828 1.00 41.53 H new ATOM 0 HB3 PHE A2108 -3.484 -1.036 -4.643 1.00 41.53 H new ATOM 0 HD1 PHE A2108 -0.420 -0.023 -2.890 1.00 31.32 H new ATOM 0 HD2 PHE A2108 -4.287 -1.679 -2.476 1.00 43.12 H new ATOM 0 HE1 PHE A2108 -0.290 0.292 -0.414 1.00 75.02 H new ATOM 0 HE2 PHE A2108 -4.161 -1.354 0.000 1.00 41.10 H new ATOM 0 HZ PHE A2108 -2.164 -0.371 1.001 1.00 5.40 H new ATOM 1579 N ARG A2109 -2.036 -2.325 -7.226 1.00 65.54 N ATOM 1580 CA ARG A2109 -2.619 -2.663 -8.514 1.00 5.44 C ATOM 1581 C ARG A2109 -2.191 -4.071 -8.937 1.00 24.33 C ATOM 1582 O ARG A2109 -2.992 -4.828 -9.483 1.00 34.10 O ATOM 1583 CB ARG A2109 -2.190 -1.665 -9.591 1.00 51.13 C ATOM 1584 CG ARG A2109 -2.649 -2.122 -10.978 1.00 72.13 C ATOM 1585 CD ARG A2109 -3.584 -1.092 -11.614 1.00 62.21 C ATOM 1586 NE ARG A2109 -3.910 -1.495 -13.002 1.00 14.01 N ATOM 1587 CZ ARG A2109 -3.049 -1.407 -14.037 1.00 21.20 C ATOM 1588 NH1 ARG A2109 -1.799 -0.934 -13.851 1.00 53.42 N ATOM 1589 NH2 ARG A2109 -3.448 -1.796 -15.234 1.00 11.41 N ATOM 0 H ARG A2109 -1.237 -1.692 -7.271 1.00 65.54 H new ATOM 0 HA ARG A2109 -3.703 -2.624 -8.408 1.00 5.44 H new ATOM 0 HB2 ARG A2109 -2.610 -0.684 -9.370 1.00 51.13 H new ATOM 0 HB3 ARG A2109 -1.105 -1.557 -9.580 1.00 51.13 H new ATOM 0 HG2 ARG A2109 -1.781 -2.276 -11.620 1.00 72.13 H new ATOM 0 HG3 ARG A2109 -3.160 -3.081 -10.898 1.00 72.13 H new ATOM 0 HD2 ARG A2109 -4.498 -1.007 -11.027 1.00 62.21 H new ATOM 0 HD3 ARG A2109 -3.112 -0.110 -11.613 1.00 62.21 H new ATOM 0 HE ARG A2109 -4.844 -1.862 -13.187 1.00 14.01 H new ATOM 0 HH11 ARG A2109 -1.498 -0.639 -12.922 1.00 53.42 H new ATOM 0 HH12 ARG A2109 -1.155 -0.871 -14.639 1.00 53.42 H new ATOM 0 HH21 ARG A2109 -4.393 -2.156 -15.364 1.00 11.41 H new ATOM 0 HH22 ARG A2109 -2.811 -1.737 -16.028 1.00 11.41 H new ATOM 1601 N ARG A2110 -0.930 -4.378 -8.670 1.00 60.31 N ATOM 1602 CA ARG A2110 -0.388 -5.680 -9.015 1.00 23.01 C ATOM 1603 C ARG A2110 -1.142 -6.783 -8.270 1.00 13.25 C ATOM 1604 O ARG A2110 -1.600 -7.749 -8.880 1.00 10.43 O ATOM 1605 CB ARG A2110 1.101 -5.767 -8.671 1.00 54.12 C ATOM 1606 CG ARG A2110 1.932 -6.097 -9.910 1.00 63.24 C ATOM 1607 CD ARG A2110 2.249 -4.832 -10.712 1.00 73.23 C ATOM 1608 NE ARG A2110 3.545 -4.983 -11.407 1.00 70.31 N ATOM 1609 CZ ARG A2110 3.697 -5.597 -12.600 1.00 60.00 C ATOM 1610 NH1 ARG A2110 2.630 -6.125 -13.239 1.00 51.40 N ATOM 1611 NH2 ARG A2110 4.904 -5.676 -13.131 1.00 63.21 N ATOM 0 H ARG A2110 -0.268 -3.747 -8.218 1.00 60.31 H new ATOM 0 HA ARG A2110 -0.509 -5.815 -10.090 1.00 23.01 H new ATOM 0 HB2 ARG A2110 1.435 -4.821 -8.246 1.00 54.12 H new ATOM 0 HB3 ARG A2110 1.258 -6.531 -7.910 1.00 54.12 H new ATOM 0 HG2 ARG A2110 2.860 -6.584 -9.610 1.00 63.24 H new ATOM 0 HG3 ARG A2110 1.390 -6.804 -10.538 1.00 63.24 H new ATOM 0 HD2 ARG A2110 1.458 -4.644 -11.438 1.00 73.23 H new ATOM 0 HD3 ARG A2110 2.282 -3.969 -10.047 1.00 73.23 H new ATOM 0 HE ARG A2110 4.376 -4.599 -10.957 1.00 70.31 H new ATOM 0 HH11 ARG A2110 1.702 -6.061 -12.820 1.00 51.40 H new ATOM 0 HH12 ARG A2110 2.753 -6.587 -14.140 1.00 51.40 H new ATOM 0 HH21 ARG A2110 5.704 -5.276 -12.640 1.00 63.21 H new ATOM 0 HH22 ARG A2110 5.036 -6.137 -14.031 1.00 63.21 H new ATOM 1623 N ILE A2111 -1.247 -6.607 -6.961 1.00 54.25 N ATOM 1624 CA ILE A2111 -1.936 -7.573 -6.127 1.00 12.24 C ATOM 1625 C ILE A2111 -3.265 -7.951 -6.783 1.00 72.45 C ATOM 1626 O ILE A2111 -3.662 -9.115 -6.765 1.00 12.04 O ATOM 1627 CB ILE A2111 -2.086 -7.042 -4.699 1.00 42.42 C ATOM 1628 CG1 ILE A2111 -2.668 -5.627 -4.700 1.00 63.30 C ATOM 1629 CG2 ILE A2111 -0.756 -7.112 -3.946 1.00 0.52 C ATOM 1630 CD1 ILE A2111 -2.917 -5.136 -3.272 1.00 72.34 C ATOM 0 H ILE A2111 -0.865 -5.807 -6.458 1.00 54.25 H new ATOM 0 HA ILE A2111 -1.349 -8.487 -6.042 1.00 12.24 H new ATOM 0 HB ILE A2111 -2.791 -7.682 -4.169 1.00 42.42 H new ATOM 0 HG12 ILE A2111 -1.983 -4.948 -5.208 1.00 63.30 H new ATOM 0 HG13 ILE A2111 -3.603 -5.615 -5.261 1.00 63.30 H new ATOM 0 HG21 ILE A2111 -0.890 -6.729 -2.934 1.00 0.52 H new ATOM 0 HG22 ILE A2111 -0.418 -8.147 -3.900 1.00 0.52 H new ATOM 0 HG23 ILE A2111 -0.011 -6.510 -4.466 1.00 0.52 H new ATOM 0 HD11 ILE A2111 -3.331 -4.128 -3.301 1.00 72.34 H new ATOM 0 HD12 ILE A2111 -3.621 -5.803 -2.775 1.00 72.34 H new ATOM 0 HD13 ILE A2111 -1.976 -5.127 -2.721 1.00 72.34 H new ATOM 1642 N SER A2112 -3.917 -6.944 -7.348 1.00 25.13 N ATOM 1643 CA SER A2112 -5.193 -7.158 -8.009 1.00 71.34 C ATOM 1644 C SER A2112 -4.966 -7.681 -9.428 1.00 30.42 C ATOM 1645 O SER A2112 -5.511 -8.717 -9.806 1.00 44.12 O ATOM 1646 CB SER A2112 -6.016 -5.869 -8.045 1.00 13.34 C ATOM 1647 OG SER A2112 -5.257 -4.762 -8.521 1.00 64.43 O ATOM 0 H SER A2112 -3.586 -5.979 -7.361 1.00 25.13 H new ATOM 0 HA SER A2112 -5.753 -7.900 -7.440 1.00 71.34 H new ATOM 0 HB2 SER A2112 -6.887 -6.013 -8.685 1.00 13.34 H new ATOM 0 HB3 SER A2112 -6.389 -5.649 -7.045 1.00 13.34 H new ATOM 0 HG SER A2112 -4.317 -5.023 -8.608 1.00 64.43 H new ATOM 1653 N LYS A2113 -4.163 -6.940 -10.176 1.00 4.53 N ATOM 1654 CA LYS A2113 -3.855 -7.317 -11.546 1.00 74.14 C ATOM 1655 C LYS A2113 -3.655 -8.832 -11.622 1.00 11.41 C ATOM 1656 O LYS A2113 -2.700 -9.363 -11.059 1.00 21.22 O ATOM 1657 CB LYS A2113 -2.664 -6.511 -12.069 1.00 21.34 C ATOM 1658 CG LYS A2113 -3.081 -5.615 -13.237 1.00 20.30 C ATOM 1659 CD LYS A2113 -3.115 -6.402 -14.549 1.00 33.41 C ATOM 1660 CE LYS A2113 -1.775 -6.309 -15.281 1.00 71.32 C ATOM 1661 NZ LYS A2113 -1.550 -7.517 -16.106 1.00 51.45 N ATOM 0 H LYS A2113 -3.716 -6.080 -9.860 1.00 4.53 H new ATOM 0 HA LYS A2113 -4.689 -7.073 -12.205 1.00 74.14 H new ATOM 0 HB2 LYS A2113 -2.253 -5.900 -11.266 1.00 21.34 H new ATOM 0 HB3 LYS A2113 -1.874 -7.189 -12.390 1.00 21.34 H new ATOM 0 HG2 LYS A2113 -4.064 -5.189 -13.039 1.00 20.30 H new ATOM 0 HG3 LYS A2113 -2.384 -4.782 -13.327 1.00 20.30 H new ATOM 0 HD2 LYS A2113 -3.349 -7.447 -14.344 1.00 33.41 H new ATOM 0 HD3 LYS A2113 -3.910 -6.016 -15.188 1.00 33.41 H new ATOM 0 HE2 LYS A2113 -1.760 -5.421 -15.914 1.00 71.32 H new ATOM 0 HE3 LYS A2113 -0.966 -6.199 -14.559 1.00 71.32 H new ATOM 0 HZ1 LYS A2113 -0.636 -7.437 -16.596 1.00 51.45 H new ATOM 0 HZ2 LYS A2113 -1.543 -8.358 -15.495 1.00 51.45 H new ATOM 0 HZ3 LYS A2113 -2.312 -7.605 -16.808 1.00 51.45 H new