USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 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 154:sc= -6.8! (180deg=-4.22!) USER MOD Set 1.2: A2057 MET CE :methyl 169:sc= -3.03 (180deg=0) USER MOD Set 1.3: A2058 MET CE :methyl 157:sc= -20.1! (180deg=-11.8!) USER MOD Set 2.1: A2055 HIS : no HD1:sc= -3.14! K(o=-3.1!,f=-0.44) USER MOD Set 2.2: A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2024 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.73) USER MOD Single : A2028 HIS : no HE2:sc= -0.484 K(o=-0.48,f=-2) USER MOD Single : A2035 SER OG : rot -65:sc= 1.07 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -133:sc= -5.6! (180deg=-7.22!) USER MOD Single : A2063 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0.177! USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 77:sc= 0.726 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.9!) USER MOD Single : A2072 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2074 TYR OH : rot 180:sc= 0 USER MOD Single : A2079 MET CE :methyl -134:sc= -0.359 (180deg=-4.33!) USER MOD Single : A2082 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.1) USER MOD Single : A2085 CYS SG : rot 81:sc= -0.0949 USER MOD Single : A2087 LYS NZ :NH3+ -125:sc= 0.803 (180deg=-0.632) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -120:sc= -4.38! (180deg=-8.71!) 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=-0.00702 K(o=-0.007,f=-0.69) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN : amide:sc= -3.73! C(o=-3.7!,f=-6.6!) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc=-0.00985 X(o=-0.0098,f=0) USER MOD Single : A2112 SER OG : rot -21:sc= 0.567 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -7.801 -12.449 2.800 1.00 23.51 N ATOM 144 CA LEU A2022 -6.353 -12.558 2.773 1.00 21.12 C ATOM 145 C LEU A2022 -5.738 -11.166 2.928 1.00 13.53 C ATOM 146 O LEU A2022 -6.394 -10.243 3.407 1.00 54.51 O ATOM 147 CB LEU A2022 -5.895 -13.296 1.513 1.00 62.51 C ATOM 148 CG LEU A2022 -5.018 -14.529 1.740 1.00 64.15 C ATOM 149 CD1 LEU A2022 -3.676 -14.140 2.364 1.00 72.50 C ATOM 150 CD2 LEU A2022 -5.755 -15.580 2.571 1.00 63.14 C ATOM 0 HA LEU A2022 -6.000 -13.158 3.612 1.00 21.12 H new ATOM 0 HB2 LEU A2022 -6.779 -13.601 0.953 1.00 62.51 H new ATOM 0 HB3 LEU A2022 -5.346 -12.595 0.884 1.00 62.51 H new ATOM 0 HG LEU A2022 -4.803 -14.979 0.771 1.00 64.15 H new ATOM 0 HD11 LEU A2022 -3.072 -15.035 2.515 1.00 72.50 H new ATOM 0 HD12 LEU A2022 -3.150 -13.455 1.699 1.00 72.50 H new ATOM 0 HD13 LEU A2022 -3.849 -13.653 3.324 1.00 72.50 H new ATOM 0 HD21 LEU A2022 -5.110 -16.446 2.718 1.00 63.14 H new ATOM 0 HD22 LEU A2022 -6.021 -15.157 3.540 1.00 63.14 H new ATOM 0 HD23 LEU A2022 -6.661 -15.887 2.049 1.00 63.14 H new ATOM 162 N TRP A2023 -4.485 -11.059 2.514 1.00 42.31 N ATOM 163 CA TRP A2023 -3.771 -9.794 2.601 1.00 40.21 C ATOM 164 C TRP A2023 -4.379 -8.837 1.574 1.00 60.01 C ATOM 165 O TRP A2023 -4.735 -7.707 1.907 1.00 4.14 O ATOM 166 CB TRP A2023 -2.268 -9.999 2.412 1.00 45.32 C ATOM 167 CG TRP A2023 -1.481 -10.078 3.721 1.00 2.34 C ATOM 168 CD1 TRP A2023 -1.946 -10.345 4.949 1.00 54.13 C ATOM 169 CD2 TRP A2023 -0.060 -9.879 3.884 1.00 34.24 C ATOM 170 NE1 TRP A2023 -0.936 -10.331 5.888 1.00 53.53 N ATOM 171 CE2 TRP A2023 0.249 -10.038 5.220 1.00 11.51 C ATOM 172 CE3 TRP A2023 0.931 -9.574 2.934 1.00 31.23 C ATOM 173 CZ2 TRP A2023 1.547 -9.913 5.727 1.00 23.11 C ATOM 174 CZ3 TRP A2023 2.224 -9.451 3.458 1.00 22.32 C ATOM 175 CH2 TRP A2023 2.551 -9.609 4.799 1.00 22.14 C ATOM 0 H TRP A2023 -3.944 -11.827 2.117 1.00 42.31 H new ATOM 0 HA TRP A2023 -3.881 -9.356 3.593 1.00 40.21 H new ATOM 0 HB2 TRP A2023 -2.105 -10.916 1.846 1.00 45.32 H new ATOM 0 HB3 TRP A2023 -1.873 -9.180 1.811 1.00 45.32 H new ATOM 0 HD1 TRP A2023 -2.983 -10.546 5.175 1.00 54.13 H new ATOM 0 HE1 TRP A2023 -1.039 -10.504 6.888 1.00 53.53 H new ATOM 0 HE3 TRP A2023 0.712 -9.445 1.884 1.00 31.23 H new ATOM 0 HZ2 TRP A2023 1.763 -10.044 6.777 1.00 23.11 H new ATOM 0 HZ3 TRP A2023 3.024 -9.217 2.771 1.00 22.32 H new ATOM 0 HH2 TRP A2023 3.575 -9.498 5.124 1.00 22.14 H new ATOM 186 N HIS A2024 -4.483 -9.325 0.346 1.00 20.04 N ATOM 187 CA HIS A2024 -5.041 -8.528 -0.732 1.00 64.04 C ATOM 188 C HIS A2024 -6.339 -7.870 -0.263 1.00 32.23 C ATOM 189 O HIS A2024 -6.761 -6.855 -0.816 1.00 63.30 O ATOM 190 CB HIS A2024 -5.224 -9.373 -1.994 1.00 21.41 C ATOM 191 CG HIS A2024 -4.179 -10.448 -2.172 1.00 75.25 C ATOM 192 ND1 HIS A2024 -4.380 -11.761 -1.784 1.00 33.13 N ATOM 193 CD2 HIS A2024 -2.923 -10.389 -2.701 1.00 71.23 C ATOM 194 CE1 HIS A2024 -3.286 -12.453 -2.071 1.00 73.20 C ATOM 195 NE2 HIS A2024 -2.385 -11.601 -2.638 1.00 31.42 N ATOM 0 H HIS A2024 -4.190 -10.263 0.074 1.00 20.04 H new ATOM 0 HA HIS A2024 -4.347 -7.731 -0.998 1.00 64.04 H new ATOM 0 HB2 HIS A2024 -6.209 -9.839 -1.967 1.00 21.41 H new ATOM 0 HB3 HIS A2024 -5.206 -8.716 -2.864 1.00 21.41 H new ATOM 0 HD2 HIS A2024 -2.447 -9.507 -3.103 1.00 71.23 H new ATOM 0 HE1 HIS A2024 -3.135 -13.507 -1.888 1.00 73.20 H new ATOM 0 HE2 HIS A2024 -1.451 -11.853 -2.961 1.00 31.42 H new ATOM 204 N GLU A2025 -6.939 -8.475 0.751 1.00 74.20 N ATOM 205 CA GLU A2025 -8.182 -7.962 1.300 1.00 31.51 C ATOM 206 C GLU A2025 -7.931 -6.648 2.043 1.00 72.45 C ATOM 207 O GLU A2025 -8.763 -5.741 2.005 1.00 14.10 O ATOM 208 CB GLU A2025 -8.845 -8.992 2.218 1.00 12.12 C ATOM 209 CG GLU A2025 -10.265 -8.565 2.588 1.00 73.22 C ATOM 210 CD GLU A2025 -10.453 -8.539 4.107 1.00 23.32 C ATOM 211 OE1 GLU A2025 -11.329 -9.238 4.634 1.00 30.54 O ATOM 212 OE2 GLU A2025 -9.646 -7.759 4.743 1.00 4.14 O ATOM 0 H GLU A2025 -6.587 -9.317 1.207 1.00 74.20 H new ATOM 0 HA GLU A2025 -8.867 -7.767 0.475 1.00 31.51 H new ATOM 0 HB2 GLU A2025 -8.871 -9.962 1.722 1.00 12.12 H new ATOM 0 HB3 GLU A2025 -8.251 -9.113 3.124 1.00 12.12 H new ATOM 0 HG2 GLU A2025 -10.470 -7.577 2.176 1.00 73.22 H new ATOM 0 HG3 GLU A2025 -10.983 -9.252 2.141 1.00 73.22 H new ATOM 220 N MET A2026 -6.783 -6.587 2.700 1.00 34.50 N ATOM 221 CA MET A2026 -6.413 -5.398 3.450 1.00 12.51 C ATOM 222 C MET A2026 -5.959 -4.278 2.512 1.00 31.15 C ATOM 223 O MET A2026 -6.173 -3.101 2.798 1.00 45.32 O ATOM 224 CB MET A2026 -5.283 -5.741 4.422 1.00 54.43 C ATOM 225 CG MET A2026 -3.918 -5.639 3.736 1.00 51.42 C ATOM 226 SD MET A2026 -3.310 -3.963 3.832 1.00 11.24 S ATOM 227 CE MET A2026 -1.551 -4.273 3.839 1.00 72.34 C ATOM 0 H MET A2026 -6.097 -7.341 2.729 1.00 34.50 H new ATOM 0 HA MET A2026 -7.287 -5.051 4.002 1.00 12.51 H new ATOM 0 HB2 MET A2026 -5.316 -5.065 5.276 1.00 54.43 H new ATOM 0 HB3 MET A2026 -5.425 -6.750 4.809 1.00 54.43 H new ATOM 0 HG2 MET A2026 -3.211 -6.319 4.212 1.00 51.42 H new ATOM 0 HG3 MET A2026 -4.002 -5.945 2.693 1.00 51.42 H new ATOM 0 HE1 MET A2026 -1.027 -3.404 3.440 1.00 72.34 H new ATOM 0 HE2 MET A2026 -1.219 -4.460 4.860 1.00 72.34 H new ATOM 0 HE3 MET A2026 -1.333 -5.144 3.221 1.00 72.34 H new ATOM 237 N TRP A2027 -5.339 -4.683 1.415 1.00 44.21 N ATOM 238 CA TRP A2027 -4.853 -3.728 0.433 1.00 41.24 C ATOM 239 C TRP A2027 -6.066 -3.069 -0.227 1.00 34.10 C ATOM 240 O TRP A2027 -6.090 -1.853 -0.414 1.00 10.32 O ATOM 241 CB TRP A2027 -3.918 -4.404 -0.573 1.00 52.55 C ATOM 242 CG TRP A2027 -2.596 -4.883 0.030 1.00 62.14 C ATOM 243 CD1 TRP A2027 -2.384 -5.955 0.806 1.00 43.01 C ATOM 244 CD2 TRP A2027 -1.303 -4.259 -0.126 1.00 63.34 C ATOM 245 NE1 TRP A2027 -1.056 -6.068 1.160 1.00 50.35 N ATOM 246 CE2 TRP A2027 -0.377 -5.004 0.575 1.00 62.35 C ATOM 247 CE3 TRP A2027 -0.929 -3.105 -0.836 1.00 70.32 C ATOM 248 CZ2 TRP A2027 0.983 -4.677 0.634 1.00 31.33 C ATOM 249 CZ3 TRP A2027 0.433 -2.791 -0.768 1.00 31.14 C ATOM 250 CH2 TRP A2027 1.379 -3.531 -0.066 1.00 33.11 C ATOM 0 H TRP A2027 -5.161 -5.660 1.183 1.00 44.21 H new ATOM 0 HA TRP A2027 -4.254 -2.953 0.912 1.00 41.24 H new ATOM 0 HB2 TRP A2027 -4.433 -5.256 -1.016 1.00 52.55 H new ATOM 0 HB3 TRP A2027 -3.704 -3.705 -1.382 1.00 52.55 H new ATOM 0 HD1 TRP A2027 -3.156 -6.644 1.115 1.00 43.01 H new ATOM 0 HE1 TRP A2027 -0.647 -6.798 1.744 1.00 50.35 H new ATOM 0 HE3 TRP A2027 -1.637 -2.507 -1.391 1.00 70.32 H new ATOM 0 HZ2 TRP A2027 1.689 -5.277 1.190 1.00 31.33 H new ATOM 0 HZ3 TRP A2027 0.773 -1.913 -1.297 1.00 31.14 H new ATOM 0 HH2 TRP A2027 2.414 -3.223 -0.061 1.00 33.11 H new ATOM 261 N HIS A2028 -7.042 -3.900 -0.559 1.00 62.15 N ATOM 262 CA HIS A2028 -8.255 -3.413 -1.194 1.00 43.21 C ATOM 263 C HIS A2028 -9.012 -2.502 -0.225 1.00 22.34 C ATOM 264 O HIS A2028 -9.248 -1.332 -0.521 1.00 65.02 O ATOM 265 CB HIS A2028 -9.108 -4.576 -1.703 1.00 4.44 C ATOM 266 CG HIS A2028 -8.423 -5.430 -2.744 1.00 33.44 C ATOM 267 ND1 HIS A2028 -8.687 -6.779 -2.895 1.00 3.13 N ATOM 268 CD2 HIS A2028 -7.486 -5.111 -3.681 1.00 23.04 C ATOM 269 CE1 HIS A2028 -7.934 -7.243 -3.884 1.00 22.43 C ATOM 270 NE2 HIS A2028 -7.190 -6.208 -4.369 1.00 71.40 N ATOM 0 H HIS A2028 -7.018 -4.907 -0.400 1.00 62.15 H new ATOM 0 HA HIS A2028 -7.996 -2.819 -2.070 1.00 43.21 H new ATOM 0 HB2 HIS A2028 -9.388 -5.205 -0.858 1.00 4.44 H new ATOM 0 HB3 HIS A2028 -10.032 -4.179 -2.124 1.00 4.44 H new ATOM 0 HD1 HIS A2028 -9.348 -7.324 -2.341 1.00 3.13 H new ATOM 0 HD2 HIS A2028 -7.057 -4.132 -3.838 1.00 23.04 H new ATOM 0 HE1 HIS A2028 -7.914 -8.262 -4.242 1.00 22.43 H new ATOM 279 N GLU A2029 -9.371 -3.074 0.915 1.00 23.34 N ATOM 280 CA GLU A2029 -10.097 -2.329 1.930 1.00 43.30 C ATOM 281 C GLU A2029 -9.263 -1.141 2.413 1.00 55.32 C ATOM 282 O GLU A2029 -9.804 -0.076 2.706 1.00 11.02 O ATOM 283 CB GLU A2029 -10.488 -3.236 3.098 1.00 53.42 C ATOM 284 CG GLU A2029 -9.263 -3.617 3.932 1.00 62.41 C ATOM 285 CD GLU A2029 -9.095 -2.676 5.127 1.00 2.11 C ATOM 286 OE1 GLU A2029 -9.587 -1.538 5.093 1.00 32.54 O ATOM 287 OE2 GLU A2029 -8.430 -3.166 6.118 1.00 73.22 O ATOM 0 H GLU A2029 -9.173 -4.045 1.158 1.00 23.34 H new ATOM 0 HA GLU A2029 -11.016 -1.946 1.486 1.00 43.30 H new ATOM 0 HB2 GLU A2029 -11.218 -2.728 3.729 1.00 53.42 H new ATOM 0 HB3 GLU A2029 -10.968 -4.138 2.718 1.00 53.42 H new ATOM 0 HG2 GLU A2029 -9.365 -4.643 4.285 1.00 62.41 H new ATOM 0 HG3 GLU A2029 -8.370 -3.581 3.309 1.00 62.41 H new ATOM 295 N GLY A2030 -7.958 -1.363 2.481 1.00 51.22 N ATOM 296 CA GLY A2030 -7.044 -0.322 2.924 1.00 1.13 C ATOM 297 C GLY A2030 -7.204 0.943 2.080 1.00 22.01 C ATOM 298 O GLY A2030 -7.575 1.996 2.597 1.00 2.45 O ATOM 0 H GLY A2030 -7.512 -2.247 2.237 1.00 51.22 H new ATOM 0 HA2 GLY A2030 -7.232 -0.090 3.972 1.00 1.13 H new ATOM 0 HA3 GLY A2030 -6.017 -0.681 2.856 1.00 1.13 H new ATOM 302 N LEU A2031 -6.917 0.799 0.794 1.00 31.24 N ATOM 303 CA LEU A2031 -7.024 1.917 -0.126 1.00 42.31 C ATOM 304 C LEU A2031 -8.459 2.448 -0.112 1.00 51.43 C ATOM 305 O LEU A2031 -8.686 3.640 -0.317 1.00 71.45 O ATOM 306 CB LEU A2031 -6.531 1.515 -1.518 1.00 3.42 C ATOM 307 CG LEU A2031 -5.127 0.914 -1.584 1.00 32.22 C ATOM 308 CD1 LEU A2031 -4.511 1.108 -2.971 1.00 23.34 C ATOM 309 CD2 LEU A2031 -4.234 1.481 -0.477 1.00 42.24 C ATOM 0 H LEU A2031 -6.610 -0.076 0.368 1.00 31.24 H new ATOM 0 HA LEU A2031 -6.378 2.735 0.192 1.00 42.31 H new ATOM 0 HB2 LEU A2031 -7.233 0.794 -1.936 1.00 3.42 H new ATOM 0 HB3 LEU A2031 -6.558 2.396 -2.160 1.00 3.42 H new ATOM 0 HG LEU A2031 -5.208 -0.160 -1.415 1.00 32.22 H new ATOM 0 HD11 LEU A2031 -3.513 0.671 -2.990 1.00 23.34 H new ATOM 0 HD12 LEU A2031 -5.136 0.618 -3.718 1.00 23.34 H new ATOM 0 HD13 LEU A2031 -4.445 2.173 -3.194 1.00 23.34 H new ATOM 0 HD21 LEU A2031 -3.241 1.037 -0.547 1.00 42.24 H new ATOM 0 HD22 LEU A2031 -4.156 2.562 -0.590 1.00 42.24 H new ATOM 0 HD23 LEU A2031 -4.668 1.248 0.495 1.00 42.24 H new ATOM 321 N GLU A2032 -9.390 1.538 0.132 1.00 13.10 N ATOM 322 CA GLU A2032 -10.797 1.900 0.176 1.00 52.35 C ATOM 323 C GLU A2032 -11.023 3.031 1.183 1.00 35.44 C ATOM 324 O GLU A2032 -11.672 4.028 0.867 1.00 12.35 O ATOM 325 CB GLU A2032 -11.665 0.685 0.510 1.00 53.45 C ATOM 326 CG GLU A2032 -12.540 0.958 1.737 1.00 43.20 C ATOM 327 CD GLU A2032 -13.433 -0.244 2.050 1.00 11.11 C ATOM 328 OE1 GLU A2032 -13.951 -0.890 1.127 1.00 41.13 O ATOM 329 OE2 GLU A2032 -13.579 -0.501 3.306 1.00 34.10 O ATOM 0 H GLU A2032 -9.198 0.551 0.301 1.00 13.10 H new ATOM 0 HA GLU A2032 -11.092 2.255 -0.811 1.00 52.35 H new ATOM 0 HB2 GLU A2032 -12.296 0.438 -0.344 1.00 53.45 H new ATOM 0 HB3 GLU A2032 -11.029 -0.180 0.697 1.00 53.45 H new ATOM 0 HG2 GLU A2032 -11.908 1.180 2.597 1.00 43.20 H new ATOM 0 HG3 GLU A2032 -13.158 1.838 1.559 1.00 43.20 H new ATOM 337 N GLU A2033 -10.476 2.837 2.375 1.00 23.44 N ATOM 338 CA GLU A2033 -10.611 3.827 3.430 1.00 42.11 C ATOM 339 C GLU A2033 -9.624 4.975 3.208 1.00 63.34 C ATOM 340 O GLU A2033 -9.988 6.143 3.331 1.00 13.42 O ATOM 341 CB GLU A2033 -10.412 3.191 4.807 1.00 21.32 C ATOM 342 CG GLU A2033 -11.413 3.753 5.819 1.00 43.10 C ATOM 343 CD GLU A2033 -11.847 2.677 6.816 1.00 33.31 C ATOM 344 OE1 GLU A2033 -11.014 1.873 7.263 1.00 43.25 O ATOM 345 OE2 GLU A2033 -13.099 2.692 7.125 1.00 53.55 O ATOM 0 H GLU A2033 -9.939 2.009 2.633 1.00 23.44 H new ATOM 0 HA GLU A2033 -11.623 4.231 3.396 1.00 42.11 H new ATOM 0 HB2 GLU A2033 -10.532 2.110 4.733 1.00 21.32 H new ATOM 0 HB3 GLU A2033 -9.395 3.376 5.154 1.00 21.32 H new ATOM 0 HG2 GLU A2033 -10.964 4.590 6.354 1.00 43.10 H new ATOM 0 HG3 GLU A2033 -12.286 4.142 5.295 1.00 43.10 H new ATOM 353 N ALA A2034 -8.394 4.602 2.885 1.00 2.25 N ATOM 354 CA ALA A2034 -7.352 5.585 2.645 1.00 55.22 C ATOM 355 C ALA A2034 -7.789 6.519 1.514 1.00 1.42 C ATOM 356 O ALA A2034 -7.673 7.739 1.631 1.00 2.05 O ATOM 357 CB ALA A2034 -6.036 4.870 2.336 1.00 11.24 C ATOM 0 H ALA A2034 -8.096 3.632 2.784 1.00 2.25 H new ATOM 0 HA ALA A2034 -7.189 6.196 3.533 1.00 55.22 H new ATOM 0 HB1 ALA A2034 -5.254 5.608 2.156 1.00 11.24 H new ATOM 0 HB2 ALA A2034 -5.755 4.243 3.182 1.00 11.24 H new ATOM 0 HB3 ALA A2034 -6.159 4.248 1.449 1.00 11.24 H new ATOM 363 N SER A2035 -8.280 5.911 0.444 1.00 75.50 N ATOM 364 CA SER A2035 -8.735 6.673 -0.707 1.00 33.10 C ATOM 365 C SER A2035 -9.961 7.508 -0.330 1.00 64.41 C ATOM 366 O SER A2035 -10.089 8.654 -0.758 1.00 14.21 O ATOM 367 CB SER A2035 -9.061 5.752 -1.883 1.00 3.44 C ATOM 368 OG SER A2035 -10.268 5.024 -1.672 1.00 42.32 O ATOM 0 H SER A2035 -8.373 4.900 0.350 1.00 75.50 H new ATOM 0 HA SER A2035 -7.930 7.340 -1.016 1.00 33.10 H new ATOM 0 HB2 SER A2035 -9.149 6.344 -2.794 1.00 3.44 H new ATOM 0 HB3 SER A2035 -8.238 5.054 -2.036 1.00 3.44 H new ATOM 0 HG SER A2035 -10.152 4.409 -0.918 1.00 42.32 H new ATOM 374 N ARG A2036 -10.831 6.900 0.461 1.00 12.53 N ATOM 375 CA ARG A2036 -12.043 7.572 0.899 1.00 53.24 C ATOM 376 C ARG A2036 -11.693 8.878 1.618 1.00 61.42 C ATOM 377 O ARG A2036 -12.353 9.897 1.416 1.00 2.10 O ATOM 378 CB ARG A2036 -12.859 6.683 1.840 1.00 64.50 C ATOM 379 CG ARG A2036 -13.981 5.970 1.082 1.00 34.21 C ATOM 380 CD ARG A2036 -14.858 5.159 2.039 1.00 2.54 C ATOM 381 NE ARG A2036 -15.260 3.886 1.400 1.00 1.55 N ATOM 382 CZ ARG A2036 -16.179 3.789 0.416 1.00 53.55 C ATOM 383 NH1 ARG A2036 -16.800 4.892 -0.050 1.00 31.23 N ATOM 384 NH2 ARG A2036 -16.460 2.600 -0.082 1.00 52.04 N ATOM 0 H ARG A2036 -10.721 5.948 0.811 1.00 12.53 H new ATOM 0 HA ARG A2036 -12.641 7.787 0.014 1.00 53.24 H new ATOM 0 HB2 ARG A2036 -12.206 5.947 2.308 1.00 64.50 H new ATOM 0 HB3 ARG A2036 -13.283 7.288 2.641 1.00 64.50 H new ATOM 0 HG2 ARG A2036 -14.592 6.703 0.555 1.00 34.21 H new ATOM 0 HG3 ARG A2036 -13.553 5.310 0.327 1.00 34.21 H new ATOM 0 HD2 ARG A2036 -14.314 4.957 2.961 1.00 2.54 H new ATOM 0 HD3 ARG A2036 -15.743 5.735 2.311 1.00 2.54 H new ATOM 0 HE ARG A2036 -14.814 3.027 1.724 1.00 1.55 H new ATOM 0 HH11 ARG A2036 -16.576 5.807 0.341 1.00 31.23 H new ATOM 0 HH12 ARG A2036 -17.493 4.811 -0.794 1.00 31.23 H new ATOM 0 HH21 ARG A2036 -15.985 1.772 0.277 1.00 52.04 H new ATOM 0 HH22 ARG A2036 -17.152 2.509 -0.826 1.00 52.04 H new ATOM 396 N LEU A2037 -10.660 8.806 2.443 1.00 31.04 N ATOM 397 CA LEU A2037 -10.216 9.968 3.193 1.00 41.05 C ATOM 398 C LEU A2037 -9.547 10.960 2.238 1.00 34.44 C ATOM 399 O LEU A2037 -9.663 12.171 2.417 1.00 71.44 O ATOM 400 CB LEU A2037 -9.326 9.544 4.362 1.00 64.00 C ATOM 401 CG LEU A2037 -9.935 8.533 5.337 1.00 75.23 C ATOM 402 CD1 LEU A2037 -9.001 7.340 5.545 1.00 63.41 C ATOM 403 CD2 LEU A2037 -10.308 9.206 6.661 1.00 65.25 C ATOM 0 H LEU A2037 -10.116 7.959 2.609 1.00 31.04 H new ATOM 0 HA LEU A2037 -11.067 10.480 3.641 1.00 41.05 H new ATOM 0 HB2 LEU A2037 -8.407 9.121 3.958 1.00 64.00 H new ATOM 0 HB3 LEU A2037 -9.047 10.436 4.922 1.00 64.00 H new ATOM 0 HG LEU A2037 -10.856 8.148 4.899 1.00 75.23 H new ATOM 0 HD11 LEU A2037 -9.458 6.637 6.242 1.00 63.41 H new ATOM 0 HD12 LEU A2037 -8.827 6.843 4.590 1.00 63.41 H new ATOM 0 HD13 LEU A2037 -8.051 7.688 5.951 1.00 63.41 H new ATOM 0 HD21 LEU A2037 -10.739 8.467 7.336 1.00 65.25 H new ATOM 0 HD22 LEU A2037 -9.415 9.636 7.115 1.00 65.25 H new ATOM 0 HD23 LEU A2037 -11.036 9.995 6.475 1.00 65.25 H new ATOM 415 N TYR A2038 -8.863 10.408 1.248 1.00 42.42 N ATOM 416 CA TYR A2038 -8.175 11.230 0.264 1.00 72.23 C ATOM 417 C TYR A2038 -9.169 11.873 -0.704 1.00 22.24 C ATOM 418 O TYR A2038 -9.198 13.093 -0.850 1.00 54.12 O ATOM 419 CB TYR A2038 -7.263 10.281 -0.514 1.00 22.11 C ATOM 420 CG TYR A2038 -6.457 10.962 -1.620 1.00 22.44 C ATOM 421 CD1 TYR A2038 -5.361 11.739 -1.300 1.00 1.24 C ATOM 422 CD2 TYR A2038 -6.823 10.799 -2.941 1.00 54.12 C ATOM 423 CE1 TYR A2038 -4.603 12.379 -2.342 1.00 53.14 C ATOM 424 CE2 TYR A2038 -6.066 11.442 -3.984 1.00 1.30 C ATOM 425 CZ TYR A2038 -4.992 12.199 -3.633 1.00 42.25 C ATOM 426 OH TYR A2038 -4.275 12.804 -4.617 1.00 41.20 O ATOM 0 H TYR A2038 -8.769 9.402 1.105 1.00 42.42 H new ATOM 0 HA TYR A2038 -7.623 12.033 0.753 1.00 72.23 H new ATOM 0 HB2 TYR A2038 -6.574 9.803 0.182 1.00 22.11 H new ATOM 0 HB3 TYR A2038 -7.870 9.490 -0.955 1.00 22.11 H new ATOM 0 HD1 TYR A2038 -5.073 11.866 -0.267 1.00 1.24 H new ATOM 0 HD2 TYR A2038 -7.678 10.189 -3.193 1.00 54.12 H new ATOM 0 HE1 TYR A2038 -3.744 12.989 -2.104 1.00 53.14 H new ATOM 0 HE2 TYR A2038 -6.345 11.326 -5.021 1.00 1.30 H new ATOM 0 HH TYR A2038 -4.667 12.586 -5.488 1.00 41.20 H new ATOM 501 N ASN A2043 -8.071 14.735 4.516 1.00 23.01 N ATOM 502 CA ASN A2043 -7.300 14.278 5.659 1.00 33.44 C ATOM 503 C ASN A2043 -6.442 13.081 5.246 1.00 43.41 C ATOM 504 O ASN A2043 -6.795 11.936 5.520 1.00 3.55 O ATOM 505 CB ASN A2043 -8.218 13.829 6.799 1.00 55.32 C ATOM 506 CG ASN A2043 -8.736 15.032 7.589 1.00 13.31 C ATOM 507 OD1 ASN A2043 -9.722 15.660 7.240 1.00 25.14 O ATOM 508 ND2 ASN A2043 -8.019 15.318 8.673 1.00 64.42 N ATOM 0 HA ASN A2043 -6.680 15.107 5.999 1.00 33.44 H new ATOM 0 HB2 ASN A2043 -9.059 13.266 6.394 1.00 55.32 H new ATOM 0 HB3 ASN A2043 -7.676 13.158 7.465 1.00 55.32 H new ATOM 0 HD21 ASN A2043 -8.285 16.103 9.268 1.00 64.42 H new ATOM 0 HD22 ASN A2043 -7.204 14.752 8.909 1.00 64.42 H new ATOM 515 N VAL A2044 -5.332 13.387 4.589 1.00 23.21 N ATOM 516 CA VAL A2044 -4.421 12.350 4.135 1.00 43.24 C ATOM 517 C VAL A2044 -3.971 11.511 5.333 1.00 73.25 C ATOM 518 O VAL A2044 -3.539 10.372 5.169 1.00 63.13 O ATOM 519 CB VAL A2044 -3.252 12.979 3.373 1.00 63.23 C ATOM 520 CG1 VAL A2044 -2.116 11.974 3.189 1.00 23.05 C ATOM 521 CG2 VAL A2044 -3.716 13.537 2.025 1.00 5.22 C ATOM 0 H VAL A2044 -5.043 14.338 4.360 1.00 23.21 H new ATOM 0 HA VAL A2044 -4.923 11.678 3.439 1.00 43.24 H new ATOM 0 HB VAL A2044 -2.871 13.810 3.967 1.00 63.23 H new ATOM 0 HG11 VAL A2044 -1.298 12.445 2.645 1.00 23.05 H new ATOM 0 HG12 VAL A2044 -1.760 11.644 4.165 1.00 23.05 H new ATOM 0 HG13 VAL A2044 -2.479 11.114 2.626 1.00 23.05 H new ATOM 0 HG21 VAL A2044 -2.867 13.979 1.503 1.00 5.22 H new ATOM 0 HG22 VAL A2044 -4.134 12.731 1.422 1.00 5.22 H new ATOM 0 HG23 VAL A2044 -4.477 14.299 2.189 1.00 5.22 H new ATOM 531 N LYS A2045 -4.089 12.107 6.510 1.00 70.44 N ATOM 532 CA LYS A2045 -3.702 11.429 7.735 1.00 51.22 C ATOM 533 C LYS A2045 -4.416 10.079 7.814 1.00 42.03 C ATOM 534 O LYS A2045 -3.824 9.082 8.225 1.00 72.12 O ATOM 535 CB LYS A2045 -3.950 12.328 8.948 1.00 61.13 C ATOM 536 CG LYS A2045 -5.430 12.707 9.056 1.00 3.25 C ATOM 537 CD LYS A2045 -6.117 11.919 10.172 1.00 13.44 C ATOM 538 CE LYS A2045 -7.260 12.725 10.789 1.00 61.23 C ATOM 539 NZ LYS A2045 -7.565 12.235 12.152 1.00 21.22 N ATOM 0 H LYS A2045 -4.447 13.053 6.641 1.00 70.44 H new ATOM 0 HA LYS A2045 -2.631 11.224 7.734 1.00 51.22 H new ATOM 0 HB2 LYS A2045 -3.635 11.814 9.856 1.00 61.13 H new ATOM 0 HB3 LYS A2045 -3.345 13.231 8.866 1.00 61.13 H new ATOM 0 HG2 LYS A2045 -5.522 13.776 9.250 1.00 3.25 H new ATOM 0 HG3 LYS A2045 -5.929 12.511 8.107 1.00 3.25 H new ATOM 0 HD2 LYS A2045 -6.503 10.980 9.775 1.00 13.44 H new ATOM 0 HD3 LYS A2045 -5.390 11.664 10.943 1.00 13.44 H new ATOM 0 HE2 LYS A2045 -6.989 13.780 10.828 1.00 61.23 H new ATOM 0 HE3 LYS A2045 -8.148 12.647 10.161 1.00 61.23 H new ATOM 0 HZ1 LYS A2045 -8.344 12.794 12.556 1.00 21.22 H new ATOM 0 HZ2 LYS A2045 -7.844 11.234 12.107 1.00 21.22 H new ATOM 0 HZ3 LYS A2045 -6.722 12.332 12.753 1.00 21.22 H new ATOM 552 N GLY A2046 -5.678 10.089 7.413 1.00 25.23 N ATOM 553 CA GLY A2046 -6.480 8.878 7.432 1.00 31.34 C ATOM 554 C GLY A2046 -5.786 7.747 6.669 1.00 43.23 C ATOM 555 O GLY A2046 -5.555 6.671 7.219 1.00 53.32 O ATOM 0 H GLY A2046 -6.166 10.918 7.073 1.00 25.23 H new ATOM 0 HA2 GLY A2046 -6.657 8.571 8.463 1.00 31.34 H new ATOM 0 HA3 GLY A2046 -7.455 9.077 6.987 1.00 31.34 H new ATOM 559 N MET A2047 -5.473 8.032 5.413 1.00 24.14 N ATOM 560 CA MET A2047 -4.809 7.052 4.568 1.00 74.51 C ATOM 561 C MET A2047 -3.507 6.568 5.209 1.00 44.52 C ATOM 562 O MET A2047 -3.212 5.375 5.196 1.00 3.24 O ATOM 563 CB MET A2047 -4.508 7.677 3.206 1.00 4.04 C ATOM 564 CG MET A2047 -3.531 6.809 2.409 1.00 60.13 C ATOM 565 SD MET A2047 -1.850 7.244 2.826 1.00 3.44 S ATOM 566 CE MET A2047 -1.871 8.984 2.430 1.00 43.30 C ATOM 0 H MET A2047 -5.666 8.925 4.960 1.00 24.14 H new ATOM 0 HA MET A2047 -5.471 6.195 4.446 1.00 74.51 H new ATOM 0 HB2 MET A2047 -5.434 7.798 2.644 1.00 4.04 H new ATOM 0 HB3 MET A2047 -4.087 8.673 3.344 1.00 4.04 H new ATOM 0 HG2 MET A2047 -3.707 5.755 2.626 1.00 60.13 H new ATOM 0 HG3 MET A2047 -3.697 6.947 1.341 1.00 60.13 H new ATOM 0 HE1 MET A2047 -0.989 9.234 1.840 1.00 43.30 H new ATOM 0 HE2 MET A2047 -2.768 9.216 1.856 1.00 43.30 H new ATOM 0 HE3 MET A2047 -1.868 9.567 3.351 1.00 43.30 H new ATOM 576 N PHE A2048 -2.763 7.521 5.752 1.00 35.22 N ATOM 577 CA PHE A2048 -1.499 7.206 6.398 1.00 42.04 C ATOM 578 C PHE A2048 -1.712 6.297 7.609 1.00 14.42 C ATOM 579 O PHE A2048 -0.931 5.377 7.845 1.00 64.31 O ATOM 580 CB PHE A2048 -0.895 8.529 6.868 1.00 42.55 C ATOM 581 CG PHE A2048 -0.088 9.262 5.794 1.00 53.24 C ATOM 582 CD1 PHE A2048 0.853 8.592 5.074 1.00 73.32 C ATOM 583 CD2 PHE A2048 -0.311 10.583 5.558 1.00 44.33 C ATOM 584 CE1 PHE A2048 1.602 9.273 4.079 1.00 0.13 C ATOM 585 CE2 PHE A2048 0.439 11.263 4.561 1.00 54.40 C ATOM 586 CZ PHE A2048 1.380 10.593 3.843 1.00 33.42 C ATOM 0 H PHE A2048 -3.011 8.510 5.758 1.00 35.22 H new ATOM 0 HA PHE A2048 -0.844 6.686 5.699 1.00 42.04 H new ATOM 0 HB2 PHE A2048 -1.698 9.181 7.213 1.00 42.55 H new ATOM 0 HB3 PHE A2048 -0.250 8.338 7.725 1.00 42.55 H new ATOM 0 HD1 PHE A2048 1.030 7.543 5.260 1.00 73.32 H new ATOM 0 HD2 PHE A2048 -1.058 11.115 6.128 1.00 44.33 H new ATOM 0 HE1 PHE A2048 2.349 8.742 3.509 1.00 0.13 H new ATOM 0 HE2 PHE A2048 0.262 12.312 4.373 1.00 54.40 H new ATOM 0 HZ PHE A2048 1.951 11.110 3.086 1.00 33.42 H new ATOM 596 N GLU A2049 -2.775 6.587 8.346 1.00 11.23 N ATOM 597 CA GLU A2049 -3.101 5.807 9.528 1.00 51.22 C ATOM 598 C GLU A2049 -3.710 4.462 9.125 1.00 61.20 C ATOM 599 O GLU A2049 -3.827 3.558 9.953 1.00 63.54 O ATOM 600 CB GLU A2049 -4.044 6.580 10.453 1.00 65.53 C ATOM 601 CG GLU A2049 -3.461 7.949 10.809 1.00 11.54 C ATOM 602 CD GLU A2049 -4.572 8.968 11.074 1.00 31.33 C ATOM 603 OE1 GLU A2049 -5.666 8.851 10.503 1.00 43.54 O ATOM 604 OE2 GLU A2049 -4.268 9.902 11.907 1.00 12.12 O ATOM 0 H GLU A2049 -3.421 7.351 8.147 1.00 11.23 H new ATOM 0 HA GLU A2049 -2.180 5.617 10.079 1.00 51.22 H new ATOM 0 HB2 GLU A2049 -5.012 6.708 9.968 1.00 65.53 H new ATOM 0 HB3 GLU A2049 -4.217 6.006 11.364 1.00 65.53 H new ATOM 0 HG2 GLU A2049 -2.827 7.860 11.691 1.00 11.54 H new ATOM 0 HG3 GLU A2049 -2.827 8.301 9.995 1.00 11.54 H new ATOM 612 N VAL A2050 -4.080 4.372 7.856 1.00 32.31 N ATOM 613 CA VAL A2050 -4.673 3.153 7.334 1.00 14.44 C ATOM 614 C VAL A2050 -3.563 2.164 6.976 1.00 30.44 C ATOM 615 O VAL A2050 -3.638 0.987 7.329 1.00 50.33 O ATOM 616 CB VAL A2050 -5.588 3.479 6.152 1.00 44.23 C ATOM 617 CG1 VAL A2050 -5.919 2.221 5.350 1.00 2.24 C ATOM 618 CG2 VAL A2050 -6.863 4.181 6.623 1.00 63.04 C ATOM 0 H VAL A2050 -3.980 5.124 7.174 1.00 32.31 H new ATOM 0 HA VAL A2050 -5.299 2.679 8.090 1.00 14.44 H new ATOM 0 HB VAL A2050 -5.053 4.163 5.494 1.00 44.23 H new ATOM 0 HG11 VAL A2050 -6.571 2.482 4.516 1.00 2.24 H new ATOM 0 HG12 VAL A2050 -4.998 1.781 4.967 1.00 2.24 H new ATOM 0 HG13 VAL A2050 -6.425 1.501 5.994 1.00 2.24 H new ATOM 0 HG21 VAL A2050 -7.496 4.402 5.763 1.00 63.04 H new ATOM 0 HG22 VAL A2050 -7.402 3.532 7.313 1.00 63.04 H new ATOM 0 HG23 VAL A2050 -6.601 5.110 7.129 1.00 63.04 H new ATOM 628 N LEU A2051 -2.559 2.676 6.280 1.00 24.11 N ATOM 629 CA LEU A2051 -1.435 1.852 5.868 1.00 55.44 C ATOM 630 C LEU A2051 -0.514 1.620 7.069 1.00 74.33 C ATOM 631 O LEU A2051 -0.065 0.499 7.304 1.00 22.30 O ATOM 632 CB LEU A2051 -0.728 2.473 4.662 1.00 14.24 C ATOM 633 CG LEU A2051 -1.579 2.646 3.403 1.00 2.11 C ATOM 634 CD1 LEU A2051 -3.063 2.442 3.710 1.00 15.14 C ATOM 635 CD2 LEU A2051 -1.312 3.999 2.741 1.00 14.44 C ATOM 0 H LEU A2051 -2.500 3.652 5.991 1.00 24.11 H new ATOM 0 HA LEU A2051 -1.781 0.873 5.535 1.00 55.44 H new ATOM 0 HB2 LEU A2051 -0.344 3.450 4.954 1.00 14.24 H new ATOM 0 HB3 LEU A2051 0.134 1.854 4.412 1.00 14.24 H new ATOM 0 HG LEU A2051 -1.290 1.875 2.689 1.00 2.11 H new ATOM 0 HD11 LEU A2051 -3.644 2.571 2.797 1.00 15.14 H new ATOM 0 HD12 LEU A2051 -3.219 1.436 4.101 1.00 15.14 H new ATOM 0 HD13 LEU A2051 -3.385 3.173 4.451 1.00 15.14 H new ATOM 0 HD21 LEU A2051 -1.930 4.096 1.848 1.00 14.44 H new ATOM 0 HD22 LEU A2051 -1.555 4.800 3.439 1.00 14.44 H new ATOM 0 HD23 LEU A2051 -0.260 4.067 2.463 1.00 14.44 H new ATOM 647 N GLU A2052 -0.260 2.698 7.797 1.00 73.12 N ATOM 648 CA GLU A2052 0.599 2.626 8.967 1.00 4.35 C ATOM 649 C GLU A2052 0.428 1.275 9.667 1.00 14.22 C ATOM 650 O GLU A2052 1.400 0.549 9.867 1.00 13.12 O ATOM 651 CB GLU A2052 0.316 3.781 9.927 1.00 43.33 C ATOM 652 CG GLU A2052 1.481 4.774 9.948 1.00 71.53 C ATOM 653 CD GLU A2052 1.838 5.230 8.531 1.00 61.32 C ATOM 654 OE1 GLU A2052 2.586 4.534 7.827 1.00 31.31 O ATOM 655 OE2 GLU A2052 1.310 6.348 8.167 1.00 35.21 O ATOM 0 H GLU A2052 -0.634 3.626 7.599 1.00 73.12 H new ATOM 0 HA GLU A2052 1.635 2.716 8.640 1.00 4.35 H new ATOM 0 HB2 GLU A2052 -0.598 4.293 9.626 1.00 43.33 H new ATOM 0 HB3 GLU A2052 0.147 3.391 10.931 1.00 43.33 H new ATOM 0 HG2 GLU A2052 1.216 5.639 10.556 1.00 71.53 H new ATOM 0 HG3 GLU A2052 2.350 4.311 10.415 1.00 71.53 H new ATOM 663 N PRO A2053 -0.846 0.974 10.031 1.00 42.00 N ATOM 664 CA PRO A2053 -1.157 -0.275 10.706 1.00 70.04 C ATOM 665 C PRO A2053 -1.122 -1.450 9.727 1.00 10.11 C ATOM 666 O PRO A2053 -0.451 -2.450 9.977 1.00 60.42 O ATOM 667 CB PRO A2053 -2.529 -0.057 11.324 1.00 1.51 C ATOM 668 CG PRO A2053 -3.134 1.126 10.589 1.00 75.11 C ATOM 669 CD PRO A2053 -2.022 1.811 9.811 1.00 53.13 C ATOM 0 HA PRO A2053 -0.426 -0.533 11.472 1.00 70.04 H new ATOM 0 HB2 PRO A2053 -3.152 -0.945 11.215 1.00 1.51 H new ATOM 0 HB3 PRO A2053 -2.448 0.146 12.392 1.00 1.51 H new ATOM 0 HG2 PRO A2053 -3.923 0.793 9.914 1.00 75.11 H new ATOM 0 HG3 PRO A2053 -3.590 1.821 11.294 1.00 75.11 H new ATOM 0 HD2 PRO A2053 -2.265 1.881 8.751 1.00 53.13 H new ATOM 0 HD3 PRO A2053 -1.857 2.828 10.168 1.00 53.13 H new ATOM 677 N LEU A2054 -1.853 -1.289 8.633 1.00 13.44 N ATOM 678 CA LEU A2054 -1.912 -2.325 7.615 1.00 14.20 C ATOM 679 C LEU A2054 -0.493 -2.775 7.266 1.00 11.52 C ATOM 680 O LEU A2054 -0.165 -3.954 7.383 1.00 72.22 O ATOM 681 CB LEU A2054 -2.719 -1.843 6.407 1.00 75.14 C ATOM 682 CG LEU A2054 -4.224 -2.116 6.453 1.00 30.35 C ATOM 683 CD1 LEU A2054 -4.701 -2.316 7.893 1.00 14.20 C ATOM 684 CD2 LEU A2054 -5.004 -1.012 5.739 1.00 22.22 C ATOM 0 H LEU A2054 -2.409 -0.458 8.430 1.00 13.44 H new ATOM 0 HA LEU A2054 -2.439 -3.201 7.994 1.00 14.20 H new ATOM 0 HB2 LEU A2054 -2.568 -0.769 6.299 1.00 75.14 H new ATOM 0 HB3 LEU A2054 -2.312 -2.313 5.512 1.00 75.14 H new ATOM 0 HG LEU A2054 -4.419 -3.045 5.917 1.00 30.35 H new ATOM 0 HD11 LEU A2054 -5.774 -2.508 7.897 1.00 14.20 H new ATOM 0 HD12 LEU A2054 -4.178 -3.164 8.335 1.00 14.20 H new ATOM 0 HD13 LEU A2054 -4.491 -1.418 8.474 1.00 14.20 H new ATOM 0 HD21 LEU A2054 -6.071 -1.231 5.787 1.00 22.22 H new ATOM 0 HD22 LEU A2054 -4.808 -0.056 6.224 1.00 22.22 H new ATOM 0 HD23 LEU A2054 -4.690 -0.961 4.696 1.00 22.22 H new ATOM 696 N HIS A2055 0.312 -1.810 6.845 1.00 1.42 N ATOM 697 CA HIS A2055 1.690 -2.091 6.479 1.00 62.32 C ATOM 698 C HIS A2055 2.434 -2.669 7.684 1.00 4.43 C ATOM 699 O HIS A2055 3.054 -3.728 7.588 1.00 51.13 O ATOM 700 CB HIS A2055 2.367 -0.844 5.906 1.00 54.23 C ATOM 701 CG HIS A2055 2.080 -0.608 4.442 1.00 54.31 C ATOM 702 ND1 HIS A2055 2.985 0.004 3.592 1.00 40.11 N ATOM 703 CD2 HIS A2055 0.983 -0.908 3.689 1.00 25.44 C ATOM 704 CE1 HIS A2055 2.444 0.065 2.383 1.00 0.10 C ATOM 705 NE2 HIS A2055 1.206 -0.500 2.445 1.00 63.44 N ATOM 0 H HIS A2055 0.036 -0.833 6.749 1.00 1.42 H new ATOM 0 HA HIS A2055 1.713 -2.841 5.688 1.00 62.32 H new ATOM 0 HB2 HIS A2055 2.042 0.027 6.475 1.00 54.23 H new ATOM 0 HB3 HIS A2055 3.445 -0.932 6.045 1.00 54.23 H new ATOM 0 HD2 HIS A2055 0.086 -1.394 4.044 1.00 25.44 H new ATOM 0 HE1 HIS A2055 2.904 0.489 1.503 1.00 0.10 H new ATOM 0 HE2 HIS A2055 0.557 -0.594 1.664 1.00 63.44 H new ATOM 714 N ALA A2056 2.350 -1.947 8.793 1.00 45.31 N ATOM 715 CA ALA A2056 3.008 -2.374 10.016 1.00 52.43 C ATOM 716 C ALA A2056 2.660 -3.839 10.291 1.00 1.24 C ATOM 717 O ALA A2056 3.548 -4.657 10.528 1.00 71.02 O ATOM 718 CB ALA A2056 2.598 -1.452 11.165 1.00 13.41 C ATOM 0 H ALA A2056 1.836 -1.069 8.869 1.00 45.31 H new ATOM 0 HA ALA A2056 4.091 -2.305 9.914 1.00 52.43 H new ATOM 0 HB1 ALA A2056 3.092 -1.772 12.082 1.00 13.41 H new ATOM 0 HB2 ALA A2056 2.892 -0.428 10.933 1.00 13.41 H new ATOM 0 HB3 ALA A2056 1.517 -1.497 11.300 1.00 13.41 H new ATOM 724 N MET A2057 1.367 -4.124 10.254 1.00 32.44 N ATOM 725 CA MET A2057 0.892 -5.477 10.497 1.00 55.14 C ATOM 726 C MET A2057 1.626 -6.483 9.610 1.00 64.42 C ATOM 727 O MET A2057 1.945 -7.586 10.050 1.00 41.02 O ATOM 728 CB MET A2057 -0.611 -5.546 10.214 1.00 15.14 C ATOM 729 CG MET A2057 -0.919 -6.601 9.150 1.00 51.24 C ATOM 730 SD MET A2057 -2.685 -6.735 8.918 1.00 11.14 S ATOM 731 CE MET A2057 -2.752 -6.893 7.141 1.00 14.21 C ATOM 0 H MET A2057 0.633 -3.442 10.060 1.00 32.44 H new ATOM 0 HA MET A2057 1.088 -5.731 11.539 1.00 55.14 H new ATOM 0 HB2 MET A2057 -1.147 -5.783 11.133 1.00 15.14 H new ATOM 0 HB3 MET A2057 -0.967 -4.572 9.879 1.00 15.14 H new ATOM 0 HG2 MET A2057 -0.439 -6.331 8.209 1.00 51.24 H new ATOM 0 HG3 MET A2057 -0.509 -7.565 9.452 1.00 51.24 H new ATOM 0 HE1 MET A2057 -3.759 -7.181 6.839 1.00 14.21 H new ATOM 0 HE2 MET A2057 -2.494 -5.939 6.681 1.00 14.21 H new ATOM 0 HE3 MET A2057 -2.044 -7.655 6.817 1.00 14.21 H new ATOM 741 N MET A2058 1.872 -6.068 8.377 1.00 45.43 N ATOM 742 CA MET A2058 2.562 -6.920 7.422 1.00 12.54 C ATOM 743 C MET A2058 4.012 -7.160 7.852 1.00 63.25 C ATOM 744 O MET A2058 4.544 -8.254 7.670 1.00 51.01 O ATOM 745 CB MET A2058 2.539 -6.265 6.041 1.00 1.10 C ATOM 746 CG MET A2058 1.108 -5.933 5.613 1.00 32.24 C ATOM 747 SD MET A2058 0.673 -6.872 4.159 1.00 32.31 S ATOM 748 CE MET A2058 -1.050 -7.195 4.503 1.00 53.22 C ATOM 0 H MET A2058 1.606 -5.152 8.016 1.00 45.43 H new ATOM 0 HA MET A2058 2.050 -7.881 7.384 1.00 12.54 H new ATOM 0 HB2 MET A2058 3.138 -5.354 6.057 1.00 1.10 H new ATOM 0 HB3 MET A2058 2.995 -6.933 5.310 1.00 1.10 H new ATOM 0 HG2 MET A2058 0.415 -6.160 6.423 1.00 32.24 H new ATOM 0 HG3 MET A2058 1.019 -4.866 5.407 1.00 32.24 H new ATOM 0 HE1 MET A2058 -1.576 -7.397 3.570 1.00 53.22 H new ATOM 0 HE2 MET A2058 -1.134 -8.060 5.161 1.00 53.22 H new ATOM 0 HE3 MET A2058 -1.493 -6.326 4.989 1.00 53.22 H new ATOM 758 N GLU A2059 4.609 -6.118 8.410 1.00 41.14 N ATOM 759 CA GLU A2059 5.987 -6.200 8.865 1.00 32.52 C ATOM 760 C GLU A2059 6.086 -7.108 10.095 1.00 64.21 C ATOM 761 O GLU A2059 6.726 -8.158 10.046 1.00 41.45 O ATOM 762 CB GLU A2059 6.551 -4.810 9.163 1.00 21.23 C ATOM 763 CG GLU A2059 6.085 -3.794 8.120 1.00 24.43 C ATOM 764 CD GLU A2059 6.204 -4.367 6.705 1.00 42.04 C ATOM 765 OE1 GLU A2059 5.303 -5.083 6.248 1.00 13.05 O ATOM 766 OE2 GLU A2059 7.284 -4.041 6.076 1.00 34.52 O ATOM 0 H GLU A2059 4.164 -5.212 8.558 1.00 41.14 H new ATOM 0 HA GLU A2059 6.588 -6.635 8.066 1.00 32.52 H new ATOM 0 HB2 GLU A2059 6.233 -4.490 10.155 1.00 21.23 H new ATOM 0 HB3 GLU A2059 7.640 -4.851 9.175 1.00 21.23 H new ATOM 0 HG2 GLU A2059 5.050 -3.514 8.317 1.00 24.43 H new ATOM 0 HG3 GLU A2059 6.682 -2.886 8.200 1.00 24.43 H new ATOM 774 N ARG A2060 5.442 -6.671 11.167 1.00 62.31 N ATOM 775 CA ARG A2060 5.449 -7.431 12.405 1.00 43.42 C ATOM 776 C ARG A2060 4.718 -8.762 12.216 1.00 42.44 C ATOM 777 O ARG A2060 5.102 -9.772 12.803 1.00 14.15 O ATOM 778 CB ARG A2060 4.782 -6.646 13.537 1.00 64.41 C ATOM 779 CG ARG A2060 3.332 -6.306 13.185 1.00 11.21 C ATOM 780 CD ARG A2060 2.841 -5.101 13.991 1.00 11.23 C ATOM 781 NE ARG A2060 1.813 -5.529 14.967 1.00 42.34 N ATOM 782 CZ ARG A2060 0.892 -4.703 15.506 1.00 44.01 C ATOM 783 NH1 ARG A2060 0.864 -3.396 15.170 1.00 32.40 N ATOM 784 NH2 ARG A2060 0.019 -5.192 16.367 1.00 43.43 N ATOM 0 H ARG A2060 4.912 -5.800 11.204 1.00 62.31 H new ATOM 0 HA ARG A2060 6.489 -7.619 12.672 1.00 43.42 H new ATOM 0 HB2 ARG A2060 4.810 -7.231 14.456 1.00 64.41 H new ATOM 0 HB3 ARG A2060 5.339 -5.729 13.726 1.00 64.41 H new ATOM 0 HG2 ARG A2060 3.253 -6.092 12.119 1.00 11.21 H new ATOM 0 HG3 ARG A2060 2.694 -7.167 13.385 1.00 11.21 H new ATOM 0 HD2 ARG A2060 3.678 -4.636 14.512 1.00 11.23 H new ATOM 0 HD3 ARG A2060 2.426 -4.349 13.320 1.00 11.23 H new ATOM 0 HE ARG A2060 1.800 -6.509 15.249 1.00 42.34 H new ATOM 0 HH11 ARG A2060 1.542 -3.026 14.504 1.00 32.40 H new ATOM 0 HH12 ARG A2060 0.165 -2.778 15.582 1.00 32.40 H new ATOM 0 HH21 ARG A2060 0.047 -6.181 16.616 1.00 43.43 H new ATOM 0 HH22 ARG A2060 -0.684 -4.581 16.783 1.00 43.43 H new ATOM 796 N GLY A2061 3.680 -8.719 11.395 1.00 42.02 N ATOM 797 CA GLY A2061 2.893 -9.909 11.122 1.00 63.12 C ATOM 798 C GLY A2061 2.834 -10.194 9.621 1.00 44.34 C ATOM 799 O GLY A2061 1.853 -9.854 8.958 1.00 21.11 O ATOM 0 H GLY A2061 3.365 -7.879 10.910 1.00 42.02 H new ATOM 0 HA2 GLY A2061 3.327 -10.763 11.641 1.00 63.12 H new ATOM 0 HA3 GLY A2061 1.883 -9.779 11.511 1.00 63.12 H new ATOM 803 N PRO A2062 3.923 -10.832 9.113 1.00 73.53 N ATOM 804 CA PRO A2062 4.004 -11.167 7.701 1.00 13.14 C ATOM 805 C PRO A2062 3.106 -12.361 7.369 1.00 42.51 C ATOM 806 O PRO A2062 1.917 -12.193 7.100 1.00 61.13 O ATOM 807 CB PRO A2062 5.477 -11.442 7.447 1.00 63.45 C ATOM 808 CG PRO A2062 6.095 -11.705 8.811 1.00 63.53 C ATOM 809 CD PRO A2062 5.101 -11.250 9.867 1.00 14.13 C ATOM 0 HA PRO A2062 3.645 -10.365 7.056 1.00 13.14 H new ATOM 0 HB2 PRO A2062 5.606 -12.301 6.788 1.00 63.45 H new ATOM 0 HB3 PRO A2062 5.954 -10.592 6.960 1.00 63.45 H new ATOM 0 HG2 PRO A2062 6.321 -12.765 8.930 1.00 63.53 H new ATOM 0 HG3 PRO A2062 7.036 -11.165 8.914 1.00 63.53 H new ATOM 0 HD2 PRO A2062 4.862 -12.057 10.559 1.00 14.13 H new ATOM 0 HD3 PRO A2062 5.503 -10.429 10.461 1.00 14.13 H new ATOM 817 N GLN A2063 3.709 -13.540 7.398 1.00 14.41 N ATOM 818 CA GLN A2063 2.981 -14.761 7.104 1.00 65.42 C ATOM 819 C GLN A2063 3.925 -15.964 7.129 1.00 34.21 C ATOM 820 O GLN A2063 3.964 -16.705 8.109 1.00 15.04 O ATOM 821 CB GLN A2063 2.261 -14.659 5.756 1.00 33.42 C ATOM 822 CG GLN A2063 0.752 -14.499 5.951 1.00 43.42 C ATOM 823 CD GLN A2063 0.071 -15.860 6.101 1.00 42.15 C ATOM 824 OE1 GLN A2063 -0.316 -16.274 7.182 1.00 71.24 O ATOM 825 NE2 GLN A2063 -0.053 -16.532 4.959 1.00 21.15 N ATOM 0 H GLN A2063 4.695 -13.675 7.621 1.00 14.41 H new ATOM 0 HA GLN A2063 2.224 -14.902 7.876 1.00 65.42 H new ATOM 0 HB2 GLN A2063 2.651 -13.810 5.195 1.00 33.42 H new ATOM 0 HB3 GLN A2063 2.462 -15.552 5.164 1.00 33.42 H new ATOM 0 HG2 GLN A2063 0.558 -13.892 6.836 1.00 43.42 H new ATOM 0 HG3 GLN A2063 0.326 -13.967 5.100 1.00 43.42 H new ATOM 0 HE21 GLN A2063 0.293 -16.127 4.089 1.00 21.15 H new ATOM 0 HE22 GLN A2063 -0.494 -17.452 4.954 1.00 21.15 H new ATOM 834 N THR A2064 4.663 -16.120 6.039 1.00 34.15 N ATOM 835 CA THR A2064 5.606 -17.221 5.927 1.00 62.14 C ATOM 836 C THR A2064 6.543 -16.999 4.738 1.00 50.32 C ATOM 837 O THR A2064 6.538 -15.930 4.130 1.00 44.33 O ATOM 838 CB THR A2064 4.807 -18.521 5.836 1.00 21.31 C ATOM 839 OG1 THR A2064 5.800 -19.529 5.671 1.00 14.13 O ATOM 840 CG2 THR A2064 3.973 -18.607 4.554 1.00 13.23 C ATOM 0 H THR A2064 4.627 -15.504 5.227 1.00 34.15 H new ATOM 0 HA THR A2064 6.251 -17.281 6.804 1.00 62.14 H new ATOM 0 HB THR A2064 4.152 -18.605 6.703 1.00 21.31 H new ATOM 0 HG1 THR A2064 5.368 -20.406 5.605 1.00 14.13 H new ATOM 0 HG21 THR A2064 3.425 -19.549 4.539 1.00 13.23 H new ATOM 0 HG22 THR A2064 3.268 -17.777 4.522 1.00 13.23 H new ATOM 0 HG23 THR A2064 4.632 -18.557 3.687 1.00 13.23 H new ATOM 848 N LEU A2065 7.325 -18.026 4.441 1.00 33.13 N ATOM 849 CA LEU A2065 8.266 -17.957 3.337 1.00 43.20 C ATOM 850 C LEU A2065 7.499 -17.729 2.032 1.00 51.45 C ATOM 851 O LEU A2065 8.036 -17.162 1.084 1.00 45.03 O ATOM 852 CB LEU A2065 9.159 -19.199 3.315 1.00 24.45 C ATOM 853 CG LEU A2065 10.662 -18.943 3.192 1.00 64.44 C ATOM 854 CD1 LEU A2065 10.951 -17.888 2.121 1.00 54.40 C ATOM 855 CD2 LEU A2065 11.269 -18.568 4.544 1.00 52.11 C ATOM 0 H LEU A2065 7.326 -18.912 4.947 1.00 33.13 H new ATOM 0 HA LEU A2065 8.940 -17.110 3.464 1.00 43.20 H new ATOM 0 HB2 LEU A2065 8.981 -19.766 4.229 1.00 24.45 H new ATOM 0 HB3 LEU A2065 8.849 -19.830 2.482 1.00 24.45 H new ATOM 0 HG LEU A2065 11.141 -19.869 2.872 1.00 64.44 H new ATOM 0 HD11 LEU A2065 12.026 -17.724 2.053 1.00 54.40 H new ATOM 0 HD12 LEU A2065 10.575 -18.234 1.158 1.00 54.40 H new ATOM 0 HD13 LEU A2065 10.458 -16.954 2.388 1.00 54.40 H new ATOM 0 HD21 LEU A2065 12.338 -18.392 4.426 1.00 52.11 H new ATOM 0 HD22 LEU A2065 10.791 -17.663 4.919 1.00 52.11 H new ATOM 0 HD23 LEU A2065 11.111 -19.382 5.252 1.00 52.11 H new ATOM 867 N LYS A2066 6.254 -18.181 2.028 1.00 34.13 N ATOM 868 CA LYS A2066 5.407 -18.034 0.858 1.00 71.55 C ATOM 869 C LYS A2066 5.065 -16.555 0.664 1.00 54.33 C ATOM 870 O LYS A2066 5.208 -16.019 -0.433 1.00 11.43 O ATOM 871 CB LYS A2066 4.180 -18.941 0.966 1.00 64.45 C ATOM 872 CG LYS A2066 3.396 -18.962 -0.347 1.00 23.53 C ATOM 873 CD LYS A2066 2.400 -20.123 -0.374 1.00 13.10 C ATOM 874 CE LYS A2066 1.019 -19.650 -0.834 1.00 21.22 C ATOM 875 NZ LYS A2066 -0.041 -20.499 -0.246 1.00 31.54 N ATOM 0 H LYS A2066 5.811 -18.650 2.818 1.00 34.13 H new ATOM 0 HA LYS A2066 5.936 -18.359 -0.038 1.00 71.55 H new ATOM 0 HB2 LYS A2066 4.493 -19.953 1.223 1.00 64.45 H new ATOM 0 HB3 LYS A2066 3.536 -18.592 1.773 1.00 64.45 H new ATOM 0 HG2 LYS A2066 2.864 -18.019 -0.472 1.00 23.53 H new ATOM 0 HG3 LYS A2066 4.087 -19.051 -1.185 1.00 23.53 H new ATOM 0 HD2 LYS A2066 2.763 -20.903 -1.044 1.00 13.10 H new ATOM 0 HD3 LYS A2066 2.325 -20.565 0.619 1.00 13.10 H new ATOM 0 HE2 LYS A2066 0.867 -18.612 -0.540 1.00 21.22 H new ATOM 0 HE3 LYS A2066 0.960 -19.685 -1.922 1.00 21.22 H new ATOM 0 HZ1 LYS A2066 -0.972 -20.165 -0.568 1.00 31.54 H new ATOM 0 HZ2 LYS A2066 0.096 -21.485 -0.548 1.00 31.54 H new ATOM 0 HZ3 LYS A2066 0.006 -20.445 0.792 1.00 31.54 H new ATOM 888 N GLU A2067 4.618 -15.939 1.748 1.00 13.45 N ATOM 889 CA GLU A2067 4.254 -14.532 1.713 1.00 73.33 C ATOM 890 C GLU A2067 5.510 -13.659 1.691 1.00 34.41 C ATOM 891 O GLU A2067 5.454 -12.494 1.300 1.00 23.40 O ATOM 892 CB GLU A2067 3.353 -14.168 2.895 1.00 3.33 C ATOM 893 CG GLU A2067 1.877 -14.358 2.539 1.00 54.35 C ATOM 894 CD GLU A2067 1.316 -13.112 1.852 1.00 74.44 C ATOM 895 OE1 GLU A2067 0.285 -12.575 2.288 1.00 40.22 O ATOM 896 OE2 GLU A2067 1.988 -12.700 0.831 1.00 30.44 O ATOM 0 H GLU A2067 4.499 -16.388 2.656 1.00 13.45 H new ATOM 0 HA GLU A2067 3.690 -14.346 0.799 1.00 73.33 H new ATOM 0 HB2 GLU A2067 3.606 -14.789 3.754 1.00 3.33 H new ATOM 0 HB3 GLU A2067 3.530 -13.133 3.186 1.00 3.33 H new ATOM 0 HG2 GLU A2067 1.765 -15.221 1.883 1.00 54.35 H new ATOM 0 HG3 GLU A2067 1.305 -14.568 3.443 1.00 54.35 H new ATOM 904 N THR A2068 6.614 -14.254 2.117 1.00 30.34 N ATOM 905 CA THR A2068 7.882 -13.547 2.152 1.00 74.01 C ATOM 906 C THR A2068 8.191 -12.941 0.782 1.00 20.14 C ATOM 907 O THR A2068 8.895 -11.935 0.688 1.00 60.21 O ATOM 908 CB THR A2068 8.954 -14.520 2.643 1.00 4.20 C ATOM 909 OG1 THR A2068 8.913 -14.395 4.063 1.00 23.31 O ATOM 910 CG2 THR A2068 10.369 -14.069 2.273 1.00 24.52 C ATOM 0 H THR A2068 6.656 -15.220 2.442 1.00 30.34 H new ATOM 0 HA THR A2068 7.847 -12.706 2.844 1.00 74.01 H new ATOM 0 HB THR A2068 8.765 -15.508 2.223 1.00 4.20 H new ATOM 0 HG1 THR A2068 8.136 -14.880 4.412 1.00 23.31 H new ATOM 0 HG21 THR A2068 11.091 -14.795 2.645 1.00 24.52 H new ATOM 0 HG22 THR A2068 10.455 -13.994 1.189 1.00 24.52 H new ATOM 0 HG23 THR A2068 10.569 -13.096 2.721 1.00 24.52 H new ATOM 918 N SER A2069 7.653 -13.579 -0.246 1.00 50.44 N ATOM 919 CA SER A2069 7.863 -13.115 -1.608 1.00 24.31 C ATOM 920 C SER A2069 7.027 -11.862 -1.870 1.00 54.11 C ATOM 921 O SER A2069 7.493 -10.924 -2.513 1.00 20.54 O ATOM 922 CB SER A2069 7.514 -14.208 -2.622 1.00 63.42 C ATOM 923 OG SER A2069 8.429 -14.237 -3.713 1.00 13.20 O ATOM 0 H SER A2069 7.072 -14.413 -0.164 1.00 50.44 H new ATOM 0 HA SER A2069 8.918 -12.870 -1.726 1.00 24.31 H new ATOM 0 HB2 SER A2069 7.513 -15.178 -2.124 1.00 63.42 H new ATOM 0 HB3 SER A2069 6.505 -14.043 -3.000 1.00 63.42 H new ATOM 0 HG SER A2069 8.173 -14.949 -4.336 1.00 13.20 H new ATOM 929 N PHE A2070 5.805 -11.886 -1.357 1.00 24.40 N ATOM 930 CA PHE A2070 4.899 -10.764 -1.528 1.00 30.52 C ATOM 931 C PHE A2070 5.447 -9.508 -0.846 1.00 31.31 C ATOM 932 O PHE A2070 5.528 -8.448 -1.463 1.00 41.20 O ATOM 933 CB PHE A2070 3.575 -11.151 -0.866 1.00 53.30 C ATOM 934 CG PHE A2070 2.512 -10.052 -0.909 1.00 11.41 C ATOM 935 CD1 PHE A2070 2.556 -9.029 -0.014 1.00 31.34 C ATOM 936 CD2 PHE A2070 1.524 -10.098 -1.842 1.00 54.13 C ATOM 937 CE1 PHE A2070 1.568 -8.010 -0.053 1.00 41.43 C ATOM 938 CE2 PHE A2070 0.537 -9.078 -1.881 1.00 42.55 C ATOM 939 CZ PHE A2070 0.580 -8.054 -0.986 1.00 13.13 C ATOM 0 H PHE A2070 5.422 -12.666 -0.823 1.00 24.40 H new ATOM 0 HA PHE A2070 4.775 -10.546 -2.589 1.00 30.52 H new ATOM 0 HB2 PHE A2070 3.182 -12.041 -1.357 1.00 53.30 H new ATOM 0 HB3 PHE A2070 3.765 -11.418 0.174 1.00 53.30 H new ATOM 0 HD1 PHE A2070 3.342 -8.992 0.726 1.00 31.34 H new ATOM 0 HD2 PHE A2070 1.490 -10.910 -2.553 1.00 54.13 H new ATOM 0 HE1 PHE A2070 1.601 -7.199 0.659 1.00 41.43 H new ATOM 0 HE2 PHE A2070 -0.248 -9.115 -2.621 1.00 42.55 H new ATOM 0 HZ PHE A2070 -0.170 -7.277 -1.017 1.00 13.13 H new ATOM 949 N ASN A2071 5.811 -9.671 0.419 1.00 63.33 N ATOM 950 CA ASN A2071 6.348 -8.564 1.191 1.00 5.21 C ATOM 951 C ASN A2071 7.675 -8.116 0.574 1.00 63.23 C ATOM 952 O ASN A2071 8.046 -6.946 0.673 1.00 61.31 O ATOM 953 CB ASN A2071 6.619 -8.982 2.638 1.00 63.44 C ATOM 954 CG ASN A2071 6.633 -7.766 3.567 1.00 62.43 C ATOM 955 OD1 ASN A2071 6.192 -6.683 3.219 1.00 1.53 O ATOM 956 ND2 ASN A2071 7.163 -8.006 4.762 1.00 42.54 N ATOM 0 H ASN A2071 5.744 -10.553 0.927 1.00 63.33 H new ATOM 0 HA ASN A2071 5.615 -7.757 1.179 1.00 5.21 H new ATOM 0 HB2 ASN A2071 5.854 -9.686 2.966 1.00 63.44 H new ATOM 0 HB3 ASN A2071 7.576 -9.500 2.697 1.00 63.44 H new ATOM 0 HD21 ASN A2071 7.219 -7.259 5.454 1.00 42.54 H new ATOM 0 HD22 ASN A2071 7.513 -8.937 4.987 1.00 42.54 H new ATOM 963 N GLN A2072 8.354 -9.068 -0.048 1.00 42.01 N ATOM 964 CA GLN A2072 9.631 -8.785 -0.682 1.00 41.24 C ATOM 965 C GLN A2072 9.414 -8.091 -2.028 1.00 22.14 C ATOM 966 O GLN A2072 9.983 -7.032 -2.284 1.00 51.41 O ATOM 967 CB GLN A2072 10.455 -10.063 -0.850 1.00 22.01 C ATOM 968 CG GLN A2072 11.281 -10.350 0.405 1.00 25.14 C ATOM 969 CD GLN A2072 12.677 -9.734 0.296 1.00 23.03 C ATOM 970 OE1 GLN A2072 12.936 -8.634 0.757 1.00 3.24 O ATOM 971 NE2 GLN A2072 13.559 -10.501 -0.337 1.00 5.14 N ATOM 0 H GLN A2072 8.044 -10.037 -0.127 1.00 42.01 H new ATOM 0 HA GLN A2072 10.194 -8.112 -0.035 1.00 41.24 H new ATOM 0 HB2 GLN A2072 9.792 -10.904 -1.054 1.00 22.01 H new ATOM 0 HB3 GLN A2072 11.117 -9.963 -1.710 1.00 22.01 H new ATOM 0 HG2 GLN A2072 10.770 -9.949 1.280 1.00 25.14 H new ATOM 0 HG3 GLN A2072 11.365 -11.427 0.551 1.00 25.14 H new ATOM 0 HE21 GLN A2072 13.276 -11.412 -0.699 1.00 5.14 H new ATOM 0 HE22 GLN A2072 14.519 -10.179 -0.461 1.00 5.14 H new ATOM 980 N ALA A2073 8.589 -8.720 -2.856 1.00 73.24 N ATOM 981 CA ALA A2073 8.290 -8.176 -4.169 1.00 25.32 C ATOM 982 C ALA A2073 8.072 -6.668 -4.055 1.00 73.15 C ATOM 983 O ALA A2073 8.655 -5.892 -4.812 1.00 42.44 O ATOM 984 CB ALA A2073 7.075 -8.899 -4.756 1.00 72.02 C ATOM 0 H ALA A2073 8.120 -9.600 -2.642 1.00 73.24 H new ATOM 0 HA ALA A2073 9.126 -8.336 -4.850 1.00 25.32 H new ATOM 0 HB1 ALA A2073 6.850 -8.491 -5.741 1.00 72.02 H new ATOM 0 HB2 ALA A2073 7.293 -9.963 -4.845 1.00 72.02 H new ATOM 0 HB3 ALA A2073 6.216 -8.758 -4.100 1.00 72.02 H new ATOM 990 N TYR A2074 7.230 -6.293 -3.102 1.00 40.12 N ATOM 991 CA TYR A2074 6.929 -4.889 -2.877 1.00 21.30 C ATOM 992 C TYR A2074 7.816 -4.305 -1.777 1.00 51.13 C ATOM 993 O TYR A2074 7.909 -3.088 -1.631 1.00 70.31 O ATOM 994 CB TYR A2074 5.470 -4.841 -2.421 1.00 74.12 C ATOM 995 CG TYR A2074 4.501 -5.579 -3.346 1.00 35.42 C ATOM 996 CD1 TYR A2074 4.552 -5.369 -4.709 1.00 5.32 C ATOM 997 CD2 TYR A2074 3.577 -6.458 -2.819 1.00 32.15 C ATOM 998 CE1 TYR A2074 3.642 -6.065 -5.582 1.00 15.13 C ATOM 999 CE2 TYR A2074 2.666 -7.155 -3.690 1.00 71.44 C ATOM 1000 CZ TYR A2074 2.743 -6.922 -5.028 1.00 25.21 C ATOM 1001 OH TYR A2074 1.884 -7.581 -5.851 1.00 22.32 O ATOM 0 H TYR A2074 6.747 -6.938 -2.477 1.00 40.12 H new ATOM 0 HA TYR A2074 7.104 -4.309 -3.783 1.00 21.30 H new ATOM 0 HB2 TYR A2074 5.399 -5.270 -1.421 1.00 74.12 H new ATOM 0 HB3 TYR A2074 5.159 -3.799 -2.344 1.00 74.12 H new ATOM 0 HD1 TYR A2074 5.276 -4.682 -5.122 1.00 5.32 H new ATOM 0 HD2 TYR A2074 3.537 -6.623 -1.753 1.00 32.15 H new ATOM 0 HE1 TYR A2074 3.673 -5.910 -6.650 1.00 15.13 H new ATOM 0 HE2 TYR A2074 1.939 -7.846 -3.290 1.00 71.44 H new ATOM 0 HH TYR A2074 1.300 -8.160 -5.318 1.00 22.32 H new ATOM 1011 N GLY A2075 8.444 -5.201 -1.032 1.00 13.42 N ATOM 1012 CA GLY A2075 9.321 -4.791 0.052 1.00 64.34 C ATOM 1013 C GLY A2075 10.127 -3.550 -0.334 1.00 62.41 C ATOM 1014 O GLY A2075 10.308 -2.644 0.478 1.00 50.24 O ATOM 0 H GLY A2075 8.363 -6.210 -1.157 1.00 13.42 H new ATOM 0 HA2 GLY A2075 8.730 -4.582 0.944 1.00 64.34 H new ATOM 0 HA3 GLY A2075 10.000 -5.606 0.303 1.00 64.34 H new ATOM 1018 N ARG A2076 10.588 -3.547 -1.577 1.00 11.40 N ATOM 1019 CA ARG A2076 11.371 -2.431 -2.082 1.00 74.12 C ATOM 1020 C ARG A2076 10.451 -1.279 -2.491 1.00 13.53 C ATOM 1021 O ARG A2076 10.645 -0.142 -2.063 1.00 43.43 O ATOM 1022 CB ARG A2076 12.215 -2.851 -3.286 1.00 51.25 C ATOM 1023 CG ARG A2076 13.417 -1.921 -3.464 1.00 65.45 C ATOM 1024 CD ARG A2076 13.034 -0.680 -4.277 1.00 22.32 C ATOM 1025 NE ARG A2076 14.094 -0.376 -5.264 1.00 34.31 N ATOM 1026 CZ ARG A2076 14.321 -1.103 -6.378 1.00 65.24 C ATOM 1027 NH1 ARG A2076 13.563 -2.185 -6.657 1.00 43.23 N ATOM 1028 NH2 ARG A2076 15.294 -0.739 -7.192 1.00 4.45 N ATOM 0 H ARG A2076 10.434 -4.299 -2.249 1.00 11.40 H new ATOM 0 HA ARG A2076 12.036 -2.104 -1.282 1.00 74.12 H new ATOM 0 HB2 ARG A2076 12.560 -3.876 -3.153 1.00 51.25 H new ATOM 0 HB3 ARG A2076 11.602 -2.836 -4.187 1.00 51.25 H new ATOM 0 HG2 ARG A2076 13.795 -1.618 -2.488 1.00 65.45 H new ATOM 0 HG3 ARG A2076 14.223 -2.455 -3.967 1.00 65.45 H new ATOM 0 HD2 ARG A2076 12.086 -0.848 -4.789 1.00 22.32 H new ATOM 0 HD3 ARG A2076 12.890 0.171 -3.611 1.00 22.32 H new ATOM 0 HE ARG A2076 14.690 0.433 -5.091 1.00 34.31 H new ATOM 0 HH11 ARG A2076 12.812 -2.459 -6.023 1.00 43.23 H new ATOM 0 HH12 ARG A2076 13.742 -2.729 -7.501 1.00 43.23 H new ATOM 0 HH21 ARG A2076 15.861 0.081 -6.975 1.00 4.45 H new ATOM 0 HH22 ARG A2076 15.479 -1.277 -8.038 1.00 4.45 H new ATOM 1040 N ASP A2077 9.465 -1.613 -3.311 1.00 2.54 N ATOM 1041 CA ASP A2077 8.513 -0.621 -3.781 1.00 42.42 C ATOM 1042 C ASP A2077 7.952 0.150 -2.584 1.00 44.15 C ATOM 1043 O ASP A2077 8.051 1.374 -2.527 1.00 15.33 O ATOM 1044 CB ASP A2077 7.344 -1.282 -4.510 1.00 73.20 C ATOM 1045 CG ASP A2077 7.691 -1.901 -5.864 1.00 5.10 C ATOM 1046 OD1 ASP A2077 8.437 -2.889 -5.943 1.00 20.21 O ATOM 1047 OD2 ASP A2077 7.154 -1.321 -6.884 1.00 55.40 O ATOM 0 H ASP A2077 9.305 -2.557 -3.662 1.00 2.54 H new ATOM 0 HA ASP A2077 9.033 0.047 -4.468 1.00 42.42 H new ATOM 0 HB2 ASP A2077 6.929 -2.059 -3.868 1.00 73.20 H new ATOM 0 HB3 ASP A2077 6.561 -0.538 -4.658 1.00 73.20 H new ATOM 1053 N LEU A2078 7.375 -0.601 -1.657 1.00 53.44 N ATOM 1054 CA LEU A2078 6.798 -0.005 -0.464 1.00 72.33 C ATOM 1055 C LEU A2078 7.838 0.895 0.205 1.00 75.40 C ATOM 1056 O LEU A2078 7.509 1.977 0.689 1.00 63.41 O ATOM 1057 CB LEU A2078 6.237 -1.088 0.459 1.00 62.31 C ATOM 1058 CG LEU A2078 4.970 -1.795 -0.030 1.00 5.43 C ATOM 1059 CD1 LEU A2078 4.305 -2.577 1.108 1.00 41.14 C ATOM 1060 CD2 LEU A2078 4.006 -0.804 -0.682 1.00 62.22 C ATOM 0 H LEU A2078 7.295 -1.617 -1.708 1.00 53.44 H new ATOM 0 HA LEU A2078 5.950 0.627 -0.726 1.00 72.33 H new ATOM 0 HB2 LEU A2078 7.011 -1.839 0.617 1.00 62.31 H new ATOM 0 HB3 LEU A2078 6.027 -0.638 1.429 1.00 62.31 H new ATOM 0 HG LEU A2078 5.255 -2.517 -0.795 1.00 5.43 H new ATOM 0 HD11 LEU A2078 3.407 -3.070 0.735 1.00 41.14 H new ATOM 0 HD12 LEU A2078 4.999 -3.326 1.489 1.00 41.14 H new ATOM 0 HD13 LEU A2078 4.035 -1.891 1.911 1.00 41.14 H new ATOM 0 HD21 LEU A2078 3.115 -1.332 -1.020 1.00 62.22 H new ATOM 0 HD22 LEU A2078 3.722 -0.041 0.043 1.00 62.22 H new ATOM 0 HD23 LEU A2078 4.493 -0.330 -1.535 1.00 62.22 H new ATOM 1072 N MET A2079 9.071 0.414 0.213 1.00 14.34 N ATOM 1073 CA MET A2079 10.163 1.162 0.815 1.00 32.13 C ATOM 1074 C MET A2079 10.283 2.553 0.193 1.00 40.40 C ATOM 1075 O MET A2079 10.417 3.548 0.904 1.00 14.04 O ATOM 1076 CB MET A2079 11.475 0.399 0.621 1.00 63.10 C ATOM 1077 CG MET A2079 12.402 0.586 1.822 1.00 54.44 C ATOM 1078 SD MET A2079 13.737 -0.595 1.753 1.00 4.41 S ATOM 1079 CE MET A2079 12.828 -2.107 2.021 1.00 30.13 C ATOM 0 H MET A2079 9.340 -0.485 -0.188 1.00 14.34 H new ATOM 0 HA MET A2079 9.955 1.278 1.879 1.00 32.13 H new ATOM 0 HB2 MET A2079 11.265 -0.661 0.481 1.00 63.10 H new ATOM 0 HB3 MET A2079 11.972 0.748 -0.284 1.00 63.10 H new ATOM 0 HG2 MET A2079 12.802 1.600 1.828 1.00 54.44 H new ATOM 0 HG3 MET A2079 11.841 0.459 2.748 1.00 54.44 H new ATOM 0 HE1 MET A2079 13.349 -2.719 2.758 1.00 30.13 H new ATOM 0 HE2 MET A2079 11.829 -1.871 2.386 1.00 30.13 H new ATOM 0 HE3 MET A2079 12.751 -2.656 1.083 1.00 30.13 H new ATOM 1089 N GLU A2080 10.233 2.581 -1.131 1.00 23.33 N ATOM 1090 CA GLU A2080 10.334 3.834 -1.859 1.00 54.00 C ATOM 1091 C GLU A2080 9.160 4.750 -1.506 1.00 65.01 C ATOM 1092 O GLU A2080 9.361 5.883 -1.071 1.00 70.52 O ATOM 1093 CB GLU A2080 10.404 3.589 -3.367 1.00 41.35 C ATOM 1094 CG GLU A2080 10.513 4.909 -4.133 1.00 4.43 C ATOM 1095 CD GLU A2080 11.234 4.708 -5.469 1.00 61.22 C ATOM 1096 OE1 GLU A2080 12.328 4.127 -5.503 1.00 34.15 O ATOM 1097 OE2 GLU A2080 10.615 5.182 -6.497 1.00 10.34 O ATOM 0 H GLU A2080 10.124 1.755 -1.719 1.00 23.33 H new ATOM 0 HA GLU A2080 11.258 4.330 -1.562 1.00 54.00 H new ATOM 0 HB2 GLU A2080 11.263 2.959 -3.597 1.00 41.35 H new ATOM 0 HB3 GLU A2080 9.516 3.048 -3.693 1.00 41.35 H new ATOM 0 HG2 GLU A2080 9.517 5.314 -4.310 1.00 4.43 H new ATOM 0 HG3 GLU A2080 11.052 5.640 -3.531 1.00 4.43 H new ATOM 1105 N ALA A2081 7.961 4.224 -1.709 1.00 74.34 N ATOM 1106 CA ALA A2081 6.754 4.981 -1.417 1.00 15.31 C ATOM 1107 C ALA A2081 6.819 5.504 0.020 1.00 33.13 C ATOM 1108 O ALA A2081 6.464 6.652 0.283 1.00 24.43 O ATOM 1109 CB ALA A2081 5.528 4.099 -1.660 1.00 61.22 C ATOM 0 H ALA A2081 7.799 3.284 -2.071 1.00 74.34 H new ATOM 0 HA ALA A2081 6.673 5.844 -2.078 1.00 15.31 H new ATOM 0 HB1 ALA A2081 4.623 4.666 -1.441 1.00 61.22 H new ATOM 0 HB2 ALA A2081 5.512 3.777 -2.701 1.00 61.22 H new ATOM 0 HB3 ALA A2081 5.574 3.225 -1.011 1.00 61.22 H new ATOM 1115 N GLN A2082 7.276 4.637 0.912 1.00 5.14 N ATOM 1116 CA GLN A2082 7.392 4.996 2.316 1.00 5.21 C ATOM 1117 C GLN A2082 8.289 6.225 2.474 1.00 35.25 C ATOM 1118 O GLN A2082 7.979 7.126 3.253 1.00 50.22 O ATOM 1119 CB GLN A2082 7.921 3.821 3.140 1.00 1.14 C ATOM 1120 CG GLN A2082 7.841 4.123 4.638 1.00 63.15 C ATOM 1121 CD GLN A2082 9.193 3.893 5.316 1.00 11.34 C ATOM 1122 OE1 GLN A2082 10.195 4.506 4.987 1.00 51.55 O ATOM 1123 NE2 GLN A2082 9.165 2.974 6.278 1.00 34.01 N ATOM 0 H GLN A2082 7.571 3.686 0.690 1.00 5.14 H new ATOM 0 HA GLN A2082 6.399 5.243 2.693 1.00 5.21 H new ATOM 0 HB2 GLN A2082 7.343 2.925 2.915 1.00 1.14 H new ATOM 0 HB3 GLN A2082 8.954 3.613 2.862 1.00 1.14 H new ATOM 0 HG2 GLN A2082 7.526 5.156 4.788 1.00 63.15 H new ATOM 0 HG3 GLN A2082 7.085 3.488 5.101 1.00 63.15 H new ATOM 0 HE21 GLN A2082 8.291 2.498 6.503 1.00 34.01 H new ATOM 0 HE22 GLN A2082 10.017 2.746 6.790 1.00 34.01 H new ATOM 1132 N GLU A2083 9.381 6.224 1.726 1.00 23.32 N ATOM 1133 CA GLU A2083 10.325 7.327 1.774 1.00 62.32 C ATOM 1134 C GLU A2083 9.640 8.628 1.349 1.00 10.20 C ATOM 1135 O GLU A2083 9.873 9.679 1.944 1.00 13.32 O ATOM 1136 CB GLU A2083 11.548 7.042 0.901 1.00 24.20 C ATOM 1137 CG GLU A2083 11.726 8.123 -0.166 1.00 62.33 C ATOM 1138 CD GLU A2083 13.012 7.901 -0.964 1.00 53.41 C ATOM 1139 OE1 GLU A2083 12.982 7.253 -2.021 1.00 42.24 O ATOM 1140 OE2 GLU A2083 14.071 8.429 -0.449 1.00 13.22 O ATOM 0 H GLU A2083 9.634 5.475 1.081 1.00 23.32 H new ATOM 0 HA GLU A2083 10.672 7.438 2.801 1.00 62.32 H new ATOM 0 HB2 GLU A2083 12.440 6.992 1.525 1.00 24.20 H new ATOM 0 HB3 GLU A2083 11.438 6.069 0.423 1.00 24.20 H new ATOM 0 HG2 GLU A2083 10.870 8.117 -0.841 1.00 62.33 H new ATOM 0 HG3 GLU A2083 11.752 9.105 0.307 1.00 62.33 H new ATOM 1148 N TRP A2084 8.811 8.516 0.323 1.00 74.24 N ATOM 1149 CA TRP A2084 8.091 9.671 -0.188 1.00 21.33 C ATOM 1150 C TRP A2084 7.067 10.095 0.868 1.00 31.42 C ATOM 1151 O TRP A2084 6.779 11.282 1.016 1.00 21.34 O ATOM 1152 CB TRP A2084 7.457 9.365 -1.546 1.00 11.42 C ATOM 1153 CG TRP A2084 8.470 9.052 -2.649 1.00 14.55 C ATOM 1154 CD1 TRP A2084 8.829 7.850 -3.122 1.00 52.51 C ATOM 1155 CD2 TRP A2084 9.245 10.009 -3.400 1.00 4.11 C ATOM 1156 NE1 TRP A2084 9.775 7.962 -4.120 1.00 61.42 N ATOM 1157 CE2 TRP A2084 10.036 9.316 -4.295 1.00 52.32 C ATOM 1158 CE3 TRP A2084 9.278 11.412 -3.328 1.00 43.34 C ATOM 1159 CZ2 TRP A2084 10.917 9.944 -5.185 1.00 44.41 C ATOM 1160 CZ3 TRP A2084 10.164 12.025 -4.224 1.00 25.50 C ATOM 1161 CH2 TRP A2084 10.966 11.342 -5.131 1.00 15.23 C ATOM 0 H TRP A2084 8.621 7.643 -0.169 1.00 74.24 H new ATOM 0 HA TRP A2084 8.773 10.503 -0.366 1.00 21.33 H new ATOM 0 HB2 TRP A2084 6.780 8.517 -1.437 1.00 11.42 H new ATOM 0 HB3 TRP A2084 6.852 10.218 -1.854 1.00 11.42 H new ATOM 0 HD1 TRP A2084 8.428 6.912 -2.767 1.00 52.51 H new ATOM 0 HE1 TRP A2084 10.204 7.193 -4.635 1.00 61.42 H new ATOM 0 HE3 TRP A2084 8.668 11.974 -2.636 1.00 43.34 H new ATOM 0 HZ2 TRP A2084 11.526 9.380 -5.876 1.00 44.41 H new ATOM 0 HZ3 TRP A2084 10.228 13.103 -4.209 1.00 25.50 H new ATOM 0 HH2 TRP A2084 11.624 11.888 -5.791 1.00 15.23 H new ATOM 1172 N CYS A2085 6.546 9.102 1.574 1.00 64.41 N ATOM 1173 CA CYS A2085 5.561 9.357 2.610 1.00 11.24 C ATOM 1174 C CYS A2085 6.232 10.166 3.723 1.00 71.51 C ATOM 1175 O CYS A2085 5.761 11.244 4.082 1.00 21.03 O ATOM 1176 CB CYS A2085 4.947 8.060 3.139 1.00 34.14 C ATOM 1177 SG CYS A2085 3.821 7.343 1.887 1.00 74.33 S ATOM 0 H CYS A2085 6.788 8.119 1.448 1.00 64.41 H new ATOM 0 HA CYS A2085 4.733 9.930 2.194 1.00 11.24 H new ATOM 0 HB2 CYS A2085 5.735 7.347 3.381 1.00 34.14 H new ATOM 0 HB3 CYS A2085 4.400 8.257 4.061 1.00 34.14 H new ATOM 0 HG CYS A2085 4.514 6.684 1.007 1.00 74.33 H new ATOM 1183 N ARG A2086 7.321 9.613 4.236 1.00 54.44 N ATOM 1184 CA ARG A2086 8.062 10.271 5.300 1.00 21.01 C ATOM 1185 C ARG A2086 8.447 11.691 4.881 1.00 72.41 C ATOM 1186 O ARG A2086 8.441 12.607 5.702 1.00 54.13 O ATOM 1187 CB ARG A2086 9.330 9.489 5.652 1.00 4.42 C ATOM 1188 CG ARG A2086 9.059 8.478 6.769 1.00 55.24 C ATOM 1189 CD ARG A2086 8.578 7.144 6.194 1.00 30.15 C ATOM 1190 NE ARG A2086 8.084 6.273 7.285 1.00 2.14 N ATOM 1191 CZ ARG A2086 8.885 5.607 8.144 1.00 40.25 C ATOM 1192 NH1 ARG A2086 10.227 5.705 8.045 1.00 11.50 N ATOM 1193 NH2 ARG A2086 8.336 4.856 9.081 1.00 44.24 N ATOM 0 H ARG A2086 7.708 8.718 3.936 1.00 54.44 H new ATOM 0 HA ARG A2086 7.417 10.311 6.178 1.00 21.01 H new ATOM 0 HB2 ARG A2086 9.698 8.969 4.768 1.00 4.42 H new ATOM 0 HB3 ARG A2086 10.113 10.180 5.964 1.00 4.42 H new ATOM 0 HG2 ARG A2086 9.967 8.321 7.351 1.00 55.24 H new ATOM 0 HG3 ARG A2086 8.308 8.876 7.451 1.00 55.24 H new ATOM 0 HD2 ARG A2086 7.784 7.317 5.467 1.00 30.15 H new ATOM 0 HD3 ARG A2086 9.393 6.651 5.665 1.00 30.15 H new ATOM 0 HE ARG A2086 7.075 6.170 7.394 1.00 2.14 H new ATOM 0 HH11 ARG A2086 10.644 6.286 7.317 1.00 11.50 H new ATOM 0 HH12 ARG A2086 10.825 5.199 8.698 1.00 11.50 H new ATOM 0 HH21 ARG A2086 7.321 4.785 9.148 1.00 44.24 H new ATOM 0 HH22 ARG A2086 8.927 4.346 9.738 1.00 44.24 H new ATOM 1205 N LYS A2087 8.773 11.829 3.604 1.00 75.12 N ATOM 1206 CA LYS A2087 9.159 13.123 3.066 1.00 23.34 C ATOM 1207 C LYS A2087 7.978 14.089 3.177 1.00 23.30 C ATOM 1208 O LYS A2087 8.153 15.250 3.543 1.00 11.22 O ATOM 1209 CB LYS A2087 9.699 12.970 1.642 1.00 15.51 C ATOM 1210 CG LYS A2087 9.796 14.329 0.946 1.00 1.24 C ATOM 1211 CD LYS A2087 8.977 14.343 -0.344 1.00 64.24 C ATOM 1212 CE LYS A2087 9.887 14.367 -1.573 1.00 44.00 C ATOM 1213 NZ LYS A2087 10.763 13.173 -1.594 1.00 13.20 N ATOM 0 H LYS A2087 8.778 11.067 2.926 1.00 75.12 H new ATOM 0 HA LYS A2087 9.976 13.551 3.648 1.00 23.34 H new ATOM 0 HB2 LYS A2087 10.682 12.500 1.670 1.00 15.51 H new ATOM 0 HB3 LYS A2087 9.047 12.310 1.070 1.00 15.51 H new ATOM 0 HG2 LYS A2087 9.439 15.111 1.616 1.00 1.24 H new ATOM 0 HG3 LYS A2087 10.839 14.553 0.721 1.00 1.24 H new ATOM 0 HD2 LYS A2087 8.335 13.463 -0.380 1.00 64.24 H new ATOM 0 HD3 LYS A2087 8.324 15.215 -0.354 1.00 64.24 H new ATOM 0 HE2 LYS A2087 9.283 14.398 -2.480 1.00 44.00 H new ATOM 0 HE3 LYS A2087 10.495 15.271 -1.565 1.00 44.00 H new ATOM 0 HZ1 LYS A2087 11.757 13.473 -1.659 1.00 13.20 H new ATOM 0 HZ2 LYS A2087 10.623 12.624 -0.722 1.00 13.20 H new ATOM 0 HZ3 LYS A2087 10.525 12.582 -2.416 1.00 13.20 H new ATOM 1226 N TYR A2088 6.801 13.575 2.850 1.00 11.20 N ATOM 1227 CA TYR A2088 5.591 14.378 2.907 1.00 44.44 C ATOM 1228 C TYR A2088 5.200 14.677 4.356 1.00 21.10 C ATOM 1229 O TYR A2088 4.911 15.820 4.701 1.00 33.01 O ATOM 1230 CB TYR A2088 4.494 13.535 2.258 1.00 23.42 C ATOM 1231 CG TYR A2088 3.108 14.183 2.291 1.00 0.53 C ATOM 1232 CD1 TYR A2088 2.727 15.049 1.287 1.00 24.22 C ATOM 1233 CD2 TYR A2088 2.241 13.901 3.326 1.00 61.24 C ATOM 1234 CE1 TYR A2088 1.423 15.660 1.319 1.00 22.01 C ATOM 1235 CE2 TYR A2088 0.935 14.511 3.357 1.00 33.42 C ATOM 1236 CZ TYR A2088 0.591 15.360 2.353 1.00 1.32 C ATOM 1237 OH TYR A2088 -0.639 15.937 2.383 1.00 23.52 O ATOM 0 H TYR A2088 6.660 12.612 2.545 1.00 11.20 H new ATOM 0 HA TYR A2088 5.739 15.332 2.400 1.00 44.44 H new ATOM 0 HB2 TYR A2088 4.767 13.338 1.221 1.00 23.42 H new ATOM 0 HB3 TYR A2088 4.445 12.570 2.763 1.00 23.42 H new ATOM 0 HD1 TYR A2088 3.407 15.269 0.477 1.00 24.22 H new ATOM 0 HD2 TYR A2088 2.540 13.224 4.112 1.00 61.24 H new ATOM 0 HE1 TYR A2088 1.113 16.341 0.540 1.00 22.01 H new ATOM 0 HE2 TYR A2088 0.245 14.298 4.160 1.00 33.42 H new ATOM 0 HH TYR A2088 -1.125 15.631 3.177 1.00 23.52 H new ATOM 1247 N MET A2089 5.201 13.627 5.164 1.00 41.32 N ATOM 1248 CA MET A2089 4.849 13.761 6.568 1.00 5.52 C ATOM 1249 C MET A2089 5.767 14.766 7.268 1.00 11.24 C ATOM 1250 O MET A2089 5.326 15.506 8.144 1.00 54.45 O ATOM 1251 CB MET A2089 4.962 12.399 7.255 1.00 41.32 C ATOM 1252 CG MET A2089 3.779 11.501 6.889 1.00 21.21 C ATOM 1253 SD MET A2089 3.023 10.853 8.369 1.00 32.31 S ATOM 1254 CE MET A2089 1.316 11.274 8.057 1.00 14.01 C ATOM 0 H MET A2089 5.440 12.679 4.873 1.00 41.32 H new ATOM 0 HA MET A2089 3.824 14.126 6.634 1.00 5.52 H new ATOM 0 HB2 MET A2089 5.894 11.916 6.962 1.00 41.32 H new ATOM 0 HB3 MET A2089 4.999 12.535 8.336 1.00 41.32 H new ATOM 0 HG2 MET A2089 3.046 12.068 6.315 1.00 21.21 H new ATOM 0 HG3 MET A2089 4.117 10.681 6.255 1.00 21.21 H new ATOM 0 HE1 MET A2089 0.954 11.933 8.846 1.00 14.01 H new ATOM 0 HE2 MET A2089 1.236 11.782 7.096 1.00 14.01 H new ATOM 0 HE3 MET A2089 0.715 10.365 8.038 1.00 14.01 H new ATOM 1264 N LYS A2090 7.026 14.754 6.857 1.00 54.35 N ATOM 1265 CA LYS A2090 8.010 15.654 7.435 1.00 22.20 C ATOM 1266 C LYS A2090 7.746 17.078 6.941 1.00 32.41 C ATOM 1267 O LYS A2090 7.514 17.984 7.741 1.00 51.51 O ATOM 1268 CB LYS A2090 9.427 15.156 7.144 1.00 10.42 C ATOM 1269 CG LYS A2090 10.379 15.513 8.289 1.00 34.31 C ATOM 1270 CD LYS A2090 10.696 17.009 8.292 1.00 54.42 C ATOM 1271 CE LYS A2090 10.631 17.582 9.709 1.00 20.34 C ATOM 1272 NZ LYS A2090 11.992 17.748 10.265 1.00 13.34 N ATOM 0 H LYS A2090 7.388 14.136 6.131 1.00 54.35 H new ATOM 0 HA LYS A2090 7.919 15.671 8.521 1.00 22.20 H new ATOM 0 HB2 LYS A2090 9.414 14.076 7.000 1.00 10.42 H new ATOM 0 HB3 LYS A2090 9.788 15.597 6.215 1.00 10.42 H new ATOM 0 HG2 LYS A2090 9.930 15.231 9.241 1.00 34.31 H new ATOM 0 HG3 LYS A2090 11.302 14.942 8.190 1.00 34.31 H new ATOM 0 HD2 LYS A2090 11.689 17.174 7.875 1.00 54.42 H new ATOM 0 HD3 LYS A2090 9.989 17.535 7.651 1.00 54.42 H new ATOM 0 HE2 LYS A2090 10.118 18.544 9.695 1.00 20.34 H new ATOM 0 HE3 LYS A2090 10.049 16.919 10.349 1.00 20.34 H new ATOM 0 HZ1 LYS A2090 11.929 18.138 11.227 1.00 13.34 H new ATOM 0 HZ2 LYS A2090 12.469 16.824 10.296 1.00 13.34 H new ATOM 0 HZ3 LYS A2090 12.536 18.399 9.663 1.00 13.34 H new ATOM 1285 N SER A2091 7.786 17.231 5.625 1.00 24.51 N ATOM 1286 CA SER A2091 7.553 18.529 5.016 1.00 45.54 C ATOM 1287 C SER A2091 7.740 18.436 3.499 1.00 43.32 C ATOM 1288 O SER A2091 8.558 19.153 2.926 1.00 60.00 O ATOM 1289 CB SER A2091 8.489 19.589 5.601 1.00 64.31 C ATOM 1290 OG SER A2091 7.800 20.799 5.905 1.00 43.43 O ATOM 0 H SER A2091 7.976 16.478 4.964 1.00 24.51 H new ATOM 0 HA SER A2091 6.528 18.829 5.233 1.00 45.54 H new ATOM 0 HB2 SER A2091 8.956 19.201 6.506 1.00 64.31 H new ATOM 0 HB3 SER A2091 9.291 19.796 4.892 1.00 64.31 H new ATOM 0 HG SER A2091 8.431 21.450 6.278 1.00 43.43 H new ATOM 1296 N GLY A2092 6.967 17.545 2.894 1.00 54.42 N ATOM 1297 CA GLY A2092 7.036 17.351 1.456 1.00 3.35 C ATOM 1298 C GLY A2092 5.932 18.131 0.742 1.00 51.32 C ATOM 1299 O GLY A2092 5.487 19.168 1.229 1.00 73.40 O ATOM 0 H GLY A2092 6.291 16.950 3.373 1.00 54.42 H new ATOM 0 HA2 GLY A2092 8.010 17.674 1.089 1.00 3.35 H new ATOM 0 HA3 GLY A2092 6.944 16.290 1.224 1.00 3.35 H new ATOM 1303 N ASN A2093 5.523 17.604 -0.402 1.00 30.31 N ATOM 1304 CA ASN A2093 4.479 18.238 -1.189 1.00 22.22 C ATOM 1305 C ASN A2093 3.539 17.165 -1.742 1.00 32.54 C ATOM 1306 O ASN A2093 3.841 15.975 -1.672 1.00 22.03 O ATOM 1307 CB ASN A2093 5.071 19.004 -2.374 1.00 34.45 C ATOM 1308 CG ASN A2093 4.692 20.486 -2.312 1.00 22.33 C ATOM 1309 OD1 ASN A2093 3.546 20.852 -2.113 1.00 75.41 O ATOM 1310 ND2 ASN A2093 5.717 21.313 -2.493 1.00 75.02 N ATOM 0 H ASN A2093 5.896 16.744 -0.804 1.00 30.31 H new ATOM 0 HA ASN A2093 3.944 18.932 -0.541 1.00 22.22 H new ATOM 0 HB2 ASN A2093 6.156 18.902 -2.372 1.00 34.45 H new ATOM 0 HB3 ASN A2093 4.712 18.571 -3.308 1.00 34.45 H new ATOM 0 HD21 ASN A2093 5.569 22.322 -2.470 1.00 75.02 H new ATOM 0 HD22 ASN A2093 6.652 20.939 -2.655 1.00 75.02 H new ATOM 1317 N VAL A2094 2.418 17.625 -2.277 1.00 5.14 N ATOM 1318 CA VAL A2094 1.431 16.718 -2.841 1.00 41.31 C ATOM 1319 C VAL A2094 2.089 15.872 -3.935 1.00 33.02 C ATOM 1320 O VAL A2094 1.825 14.675 -4.040 1.00 30.12 O ATOM 1321 CB VAL A2094 0.222 17.509 -3.345 1.00 12.24 C ATOM 1322 CG1 VAL A2094 0.358 17.833 -4.834 1.00 72.51 C ATOM 1323 CG2 VAL A2094 -1.080 16.756 -3.064 1.00 40.14 C ATOM 0 H VAL A2094 2.171 18.613 -2.332 1.00 5.14 H new ATOM 0 HA VAL A2094 1.061 16.034 -2.078 1.00 41.31 H new ATOM 0 HB VAL A2094 0.189 18.453 -2.800 1.00 12.24 H new ATOM 0 HG11 VAL A2094 -0.515 18.395 -5.165 1.00 72.51 H new ATOM 0 HG12 VAL A2094 1.256 18.429 -4.996 1.00 72.51 H new ATOM 0 HG13 VAL A2094 0.430 16.906 -5.403 1.00 72.51 H new ATOM 0 HG21 VAL A2094 -1.924 17.339 -3.432 1.00 40.14 H new ATOM 0 HG22 VAL A2094 -1.058 15.791 -3.569 1.00 40.14 H new ATOM 0 HG23 VAL A2094 -1.186 16.601 -1.990 1.00 40.14 H new ATOM 1333 N LYS A2095 2.933 16.528 -4.718 1.00 30.54 N ATOM 1334 CA LYS A2095 3.629 15.850 -5.799 1.00 41.41 C ATOM 1335 C LYS A2095 4.275 14.572 -5.261 1.00 24.01 C ATOM 1336 O LYS A2095 4.129 13.503 -5.850 1.00 65.14 O ATOM 1337 CB LYS A2095 4.617 16.801 -6.478 1.00 2.44 C ATOM 1338 CG LYS A2095 4.596 16.622 -7.996 1.00 31.13 C ATOM 1339 CD LYS A2095 5.873 17.175 -8.631 1.00 65.54 C ATOM 1340 CE LYS A2095 6.872 16.052 -8.920 1.00 64.44 C ATOM 1341 NZ LYS A2095 8.196 16.376 -8.341 1.00 4.11 N ATOM 0 H LYS A2095 3.150 17.520 -4.626 1.00 30.54 H new ATOM 0 HA LYS A2095 2.926 15.549 -6.576 1.00 41.41 H new ATOM 0 HB2 LYS A2095 4.366 17.832 -6.226 1.00 2.44 H new ATOM 0 HB3 LYS A2095 5.623 16.616 -6.101 1.00 2.44 H new ATOM 0 HG2 LYS A2095 4.493 15.565 -8.240 1.00 31.13 H new ATOM 0 HG3 LYS A2095 3.728 17.132 -8.414 1.00 31.13 H new ATOM 0 HD2 LYS A2095 5.627 17.695 -9.557 1.00 65.54 H new ATOM 0 HD3 LYS A2095 6.327 17.908 -7.964 1.00 65.54 H new ATOM 0 HE2 LYS A2095 6.505 15.114 -8.503 1.00 64.44 H new ATOM 0 HE3 LYS A2095 6.964 15.907 -9.996 1.00 64.44 H new ATOM 0 HZ1 LYS A2095 8.863 15.604 -8.546 1.00 4.11 H new ATOM 0 HZ2 LYS A2095 8.551 17.260 -8.759 1.00 4.11 H new ATOM 0 HZ3 LYS A2095 8.106 16.492 -7.311 1.00 4.11 H new ATOM 1354 N ASP A2096 4.976 14.725 -4.147 1.00 65.43 N ATOM 1355 CA ASP A2096 5.645 13.596 -3.523 1.00 42.32 C ATOM 1356 C ASP A2096 4.597 12.605 -3.015 1.00 34.24 C ATOM 1357 O ASP A2096 4.763 11.393 -3.151 1.00 61.44 O ATOM 1358 CB ASP A2096 6.489 14.046 -2.329 1.00 43.14 C ATOM 1359 CG ASP A2096 5.838 13.833 -0.960 1.00 74.22 C ATOM 1360 OD1 ASP A2096 5.533 14.797 -0.242 1.00 0.33 O ATOM 1361 OD2 ASP A2096 5.644 12.600 -0.637 1.00 35.31 O ATOM 0 H ASP A2096 5.095 15.614 -3.661 1.00 65.43 H new ATOM 0 HA ASP A2096 6.293 13.135 -4.268 1.00 42.32 H new ATOM 0 HB2 ASP A2096 7.438 13.510 -2.351 1.00 43.14 H new ATOM 0 HB3 ASP A2096 6.719 15.105 -2.444 1.00 43.14 H new ATOM 1367 N LEU A2097 3.539 13.157 -2.438 1.00 13.01 N ATOM 1368 CA LEU A2097 2.464 12.335 -1.906 1.00 63.40 C ATOM 1369 C LEU A2097 1.914 11.440 -3.019 1.00 43.02 C ATOM 1370 O LEU A2097 1.659 10.256 -2.800 1.00 64.13 O ATOM 1371 CB LEU A2097 1.400 13.211 -1.240 1.00 72.34 C ATOM 1372 CG LEU A2097 0.051 12.539 -0.970 1.00 12.43 C ATOM 1373 CD1 LEU A2097 0.242 11.192 -0.270 1.00 74.41 C ATOM 1374 CD2 LEU A2097 -0.874 13.468 -0.181 1.00 25.03 C ATOM 0 H LEU A2097 3.403 14.162 -2.327 1.00 13.01 H new ATOM 0 HA LEU A2097 2.839 11.677 -1.122 1.00 63.40 H new ATOM 0 HB2 LEU A2097 1.798 13.575 -0.293 1.00 72.34 H new ATOM 0 HB3 LEU A2097 1.229 14.084 -1.871 1.00 72.34 H new ATOM 0 HG LEU A2097 -0.431 12.340 -1.927 1.00 12.43 H new ATOM 0 HD11 LEU A2097 -0.731 10.735 -0.089 1.00 74.41 H new ATOM 0 HD12 LEU A2097 0.840 10.535 -0.902 1.00 74.41 H new ATOM 0 HD13 LEU A2097 0.753 11.345 0.680 1.00 74.41 H new ATOM 0 HD21 LEU A2097 -1.826 12.968 -0.002 1.00 25.03 H new ATOM 0 HD22 LEU A2097 -0.410 13.718 0.773 1.00 25.03 H new ATOM 0 HD23 LEU A2097 -1.046 14.381 -0.751 1.00 25.03 H new ATOM 1386 N THR A2098 1.748 12.039 -4.190 1.00 53.34 N ATOM 1387 CA THR A2098 1.235 11.313 -5.337 1.00 23.35 C ATOM 1388 C THR A2098 2.215 10.216 -5.758 1.00 4.24 C ATOM 1389 O THR A2098 1.814 9.082 -6.016 1.00 24.21 O ATOM 1390 CB THR A2098 0.942 12.324 -6.447 1.00 21.44 C ATOM 1391 OG1 THR A2098 -0.311 12.893 -6.075 1.00 44.15 O ATOM 1392 CG2 THR A2098 0.662 11.652 -7.793 1.00 62.32 C ATOM 0 H THR A2098 1.961 13.021 -4.368 1.00 53.34 H new ATOM 0 HA THR A2098 0.305 10.798 -5.093 1.00 23.35 H new ATOM 0 HB THR A2098 1.787 13.005 -6.551 1.00 21.44 H new ATOM 0 HG1 THR A2098 -0.577 13.562 -6.740 1.00 44.15 H new ATOM 0 HG21 THR A2098 0.460 12.414 -8.545 1.00 62.32 H new ATOM 0 HG22 THR A2098 1.530 11.065 -8.094 1.00 62.32 H new ATOM 0 HG23 THR A2098 -0.204 10.997 -7.699 1.00 62.32 H new ATOM 1400 N GLN A2099 3.486 10.592 -5.810 1.00 64.25 N ATOM 1401 CA GLN A2099 4.529 9.656 -6.195 1.00 21.42 C ATOM 1402 C GLN A2099 4.424 8.375 -5.365 1.00 13.53 C ATOM 1403 O GLN A2099 4.374 7.277 -5.914 1.00 5.10 O ATOM 1404 CB GLN A2099 5.914 10.290 -6.054 1.00 32.33 C ATOM 1405 CG GLN A2099 6.678 10.238 -7.379 1.00 11.05 C ATOM 1406 CD GLN A2099 8.048 9.584 -7.195 1.00 11.11 C ATOM 1407 OE1 GLN A2099 8.314 8.904 -6.218 1.00 4.02 O ATOM 1408 NE2 GLN A2099 8.901 9.826 -8.188 1.00 33.12 N ATOM 0 H GLN A2099 3.816 11.532 -5.592 1.00 64.25 H new ATOM 0 HA GLN A2099 4.390 9.398 -7.245 1.00 21.42 H new ATOM 0 HB2 GLN A2099 5.813 11.325 -5.729 1.00 32.33 H new ATOM 0 HB3 GLN A2099 6.480 9.768 -5.283 1.00 32.33 H new ATOM 0 HG2 GLN A2099 6.100 9.679 -8.115 1.00 11.05 H new ATOM 0 HG3 GLN A2099 6.802 11.247 -7.771 1.00 11.05 H new ATOM 0 HE21 GLN A2099 8.614 10.404 -8.978 1.00 33.12 H new ATOM 0 HE22 GLN A2099 9.842 9.433 -8.159 1.00 33.12 H new ATOM 1417 N ALA A2100 4.393 8.559 -4.052 1.00 70.41 N ATOM 1418 CA ALA A2100 4.294 7.433 -3.140 1.00 4.35 C ATOM 1419 C ALA A2100 3.031 6.630 -3.461 1.00 51.44 C ATOM 1420 O ALA A2100 3.083 5.409 -3.584 1.00 12.15 O ATOM 1421 CB ALA A2100 4.313 7.940 -1.697 1.00 24.12 C ATOM 0 H ALA A2100 4.435 9.472 -3.599 1.00 70.41 H new ATOM 0 HA ALA A2100 5.147 6.766 -3.261 1.00 4.35 H new ATOM 0 HB1 ALA A2100 4.239 7.094 -1.013 1.00 24.12 H new ATOM 0 HB2 ALA A2100 5.244 8.476 -1.512 1.00 24.12 H new ATOM 0 HB3 ALA A2100 3.470 8.612 -1.536 1.00 24.12 H new ATOM 1427 N TRP A2101 1.927 7.352 -3.588 1.00 54.33 N ATOM 1428 CA TRP A2101 0.654 6.724 -3.891 1.00 33.20 C ATOM 1429 C TRP A2101 0.807 5.954 -5.203 1.00 62.14 C ATOM 1430 O TRP A2101 0.311 4.837 -5.333 1.00 23.34 O ATOM 1431 CB TRP A2101 -0.473 7.759 -3.932 1.00 53.53 C ATOM 1432 CG TRP A2101 -1.574 7.524 -2.898 1.00 30.42 C ATOM 1433 CD1 TRP A2101 -1.967 8.341 -1.911 1.00 23.51 C ATOM 1434 CD2 TRP A2101 -2.413 6.354 -2.788 1.00 74.34 C ATOM 1435 NE1 TRP A2101 -2.995 7.785 -1.175 1.00 55.41 N ATOM 1436 CE2 TRP A2101 -3.275 6.541 -1.725 1.00 31.03 C ATOM 1437 CE3 TRP A2101 -2.445 5.181 -3.560 1.00 15.24 C ATOM 1438 CZ2 TRP A2101 -4.230 5.594 -1.338 1.00 34.13 C ATOM 1439 CZ3 TRP A2101 -3.405 4.243 -3.159 1.00 13.11 C ATOM 1440 CH2 TRP A2101 -4.280 4.414 -2.091 1.00 4.20 C ATOM 0 H TRP A2101 1.889 8.366 -3.486 1.00 54.33 H new ATOM 0 HA TRP A2101 0.374 6.021 -3.106 1.00 33.20 H new ATOM 0 HB2 TRP A2101 -0.047 8.750 -3.775 1.00 53.53 H new ATOM 0 HB3 TRP A2101 -0.918 7.757 -4.927 1.00 53.53 H new ATOM 0 HD1 TRP A2101 -1.535 9.311 -1.716 1.00 23.51 H new ATOM 0 HE1 TRP A2101 -3.463 8.210 -0.374 1.00 55.41 H new ATOM 0 HE3 TRP A2101 -1.782 5.015 -4.396 1.00 15.24 H new ATOM 0 HZ2 TRP A2101 -4.893 5.764 -0.503 1.00 34.13 H new ATOM 0 HZ3 TRP A2101 -3.471 3.322 -3.719 1.00 13.11 H new ATOM 0 HH2 TRP A2101 -4.993 3.642 -1.844 1.00 4.20 H new ATOM 1451 N ASP A2102 1.496 6.582 -6.145 1.00 53.44 N ATOM 1452 CA ASP A2102 1.721 5.970 -7.443 1.00 41.43 C ATOM 1453 C ASP A2102 2.381 4.603 -7.250 1.00 31.42 C ATOM 1454 O ASP A2102 1.911 3.601 -7.787 1.00 74.25 O ATOM 1455 CB ASP A2102 2.654 6.828 -8.301 1.00 3.03 C ATOM 1456 CG ASP A2102 2.184 7.050 -9.741 1.00 52.40 C ATOM 1457 OD1 ASP A2102 1.167 6.489 -10.175 1.00 14.01 O ATOM 1458 OD2 ASP A2102 2.920 7.849 -10.437 1.00 51.51 O ATOM 0 H ASP A2102 1.906 7.509 -6.034 1.00 53.44 H new ATOM 0 HA ASP A2102 0.757 5.874 -7.943 1.00 41.43 H new ATOM 0 HB2 ASP A2102 2.775 7.799 -7.820 1.00 3.03 H new ATOM 0 HB3 ASP A2102 3.637 6.358 -8.324 1.00 3.03 H new ATOM 1464 N LEU A2103 3.458 4.606 -6.479 1.00 24.52 N ATOM 1465 CA LEU A2103 4.187 3.377 -6.207 1.00 62.42 C ATOM 1466 C LEU A2103 3.236 2.350 -5.590 1.00 41.14 C ATOM 1467 O LEU A2103 3.132 1.223 -6.074 1.00 51.53 O ATOM 1468 CB LEU A2103 5.422 3.665 -5.353 1.00 14.33 C ATOM 1469 CG LEU A2103 6.683 4.080 -6.113 1.00 54.32 C ATOM 1470 CD1 LEU A2103 6.668 5.577 -6.425 1.00 35.41 C ATOM 1471 CD2 LEU A2103 7.945 3.667 -5.350 1.00 73.42 C ATOM 0 H LEU A2103 3.844 5.439 -6.034 1.00 24.52 H new ATOM 0 HA LEU A2103 4.564 2.944 -7.134 1.00 62.42 H new ATOM 0 HB2 LEU A2103 5.173 4.455 -4.644 1.00 14.33 H new ATOM 0 HB3 LEU A2103 5.651 2.774 -4.769 1.00 14.33 H new ATOM 0 HG LEU A2103 6.695 3.552 -7.067 1.00 54.32 H new ATOM 0 HD11 LEU A2103 7.576 5.845 -6.966 1.00 35.41 H new ATOM 0 HD12 LEU A2103 5.798 5.812 -7.038 1.00 35.41 H new ATOM 0 HD13 LEU A2103 6.620 6.142 -5.494 1.00 35.41 H new ATOM 0 HD21 LEU A2103 8.827 3.974 -5.912 1.00 73.42 H new ATOM 0 HD22 LEU A2103 7.953 4.148 -4.372 1.00 73.42 H new ATOM 0 HD23 LEU A2103 7.955 2.585 -5.222 1.00 73.42 H new ATOM 1483 N TYR A2104 2.565 2.777 -4.531 1.00 71.42 N ATOM 1484 CA TYR A2104 1.625 1.908 -3.841 1.00 74.31 C ATOM 1485 C TYR A2104 0.588 1.341 -4.812 1.00 45.24 C ATOM 1486 O TYR A2104 0.434 0.126 -4.920 1.00 32.31 O ATOM 1487 CB TYR A2104 0.914 2.790 -2.812 1.00 14.12 C ATOM 1488 CG TYR A2104 1.615 2.848 -1.453 1.00 12.24 C ATOM 1489 CD1 TYR A2104 2.952 2.524 -1.352 1.00 34.32 C ATOM 1490 CD2 TYR A2104 0.908 3.223 -0.328 1.00 62.52 C ATOM 1491 CE1 TYR A2104 3.611 2.578 -0.071 1.00 21.00 C ATOM 1492 CE2 TYR A2104 1.568 3.277 0.952 1.00 73.24 C ATOM 1493 CZ TYR A2104 2.886 2.953 1.016 1.00 61.14 C ATOM 1494 OH TYR A2104 3.507 3.003 2.225 1.00 75.14 O ATOM 0 H TYR A2104 2.653 3.712 -4.133 1.00 71.42 H new ATOM 0 HA TYR A2104 2.145 1.066 -3.383 1.00 74.31 H new ATOM 0 HB2 TYR A2104 0.831 3.801 -3.210 1.00 14.12 H new ATOM 0 HB3 TYR A2104 -0.101 2.419 -2.670 1.00 14.12 H new ATOM 0 HD1 TYR A2104 3.505 2.230 -2.232 1.00 34.32 H new ATOM 0 HD2 TYR A2104 -0.139 3.476 -0.407 1.00 62.52 H new ATOM 0 HE1 TYR A2104 4.657 2.326 0.023 1.00 21.00 H new ATOM 0 HE2 TYR A2104 1.027 3.568 1.840 1.00 73.24 H new ATOM 0 HH TYR A2104 2.867 3.287 2.910 1.00 75.14 H new ATOM 1504 N TYR A2105 -0.094 2.248 -5.495 1.00 75.52 N ATOM 1505 CA TYR A2105 -1.112 1.854 -6.455 1.00 34.23 C ATOM 1506 C TYR A2105 -0.591 0.758 -7.387 1.00 14.25 C ATOM 1507 O TYR A2105 -1.329 -0.159 -7.746 1.00 51.43 O ATOM 1508 CB TYR A2105 -1.422 3.105 -7.280 1.00 15.43 C ATOM 1509 CG TYR A2105 -2.876 3.198 -7.745 1.00 2.31 C ATOM 1510 CD1 TYR A2105 -3.555 2.058 -8.118 1.00 3.01 C ATOM 1511 CD2 TYR A2105 -3.507 4.425 -7.793 1.00 24.42 C ATOM 1512 CE1 TYR A2105 -4.925 2.145 -8.558 1.00 55.34 C ATOM 1513 CE2 TYR A2105 -4.877 4.512 -8.230 1.00 53.21 C ATOM 1514 CZ TYR A2105 -5.517 3.369 -8.591 1.00 61.11 C ATOM 1515 OH TYR A2105 -6.810 3.453 -9.006 1.00 15.34 O ATOM 0 H TYR A2105 0.038 3.255 -5.403 1.00 75.52 H new ATOM 0 HA TYR A2105 -1.992 1.463 -5.943 1.00 34.23 H new ATOM 0 HB2 TYR A2105 -1.184 3.988 -6.686 1.00 15.43 H new ATOM 0 HB3 TYR A2105 -0.770 3.123 -8.153 1.00 15.43 H new ATOM 0 HD1 TYR A2105 -3.060 1.099 -8.081 1.00 3.01 H new ATOM 0 HD2 TYR A2105 -2.974 5.319 -7.503 1.00 24.42 H new ATOM 0 HE1 TYR A2105 -5.468 1.260 -8.854 1.00 55.34 H new ATOM 0 HE2 TYR A2105 -5.384 5.465 -8.270 1.00 53.21 H new ATOM 0 HH TYR A2105 -7.103 4.388 -8.977 1.00 15.34 H new ATOM 1525 N HIS A2106 0.675 0.889 -7.752 1.00 35.03 N ATOM 1526 CA HIS A2106 1.303 -0.080 -8.634 1.00 44.31 C ATOM 1527 C HIS A2106 1.301 -1.457 -7.970 1.00 11.25 C ATOM 1528 O HIS A2106 0.965 -2.456 -8.605 1.00 2.24 O ATOM 1529 CB HIS A2106 2.705 0.382 -9.037 1.00 43.23 C ATOM 1530 CG HIS A2106 2.759 1.091 -10.370 1.00 52.43 C ATOM 1531 ND1 HIS A2106 3.809 0.938 -11.260 1.00 55.12 N ATOM 1532 CD2 HIS A2106 1.883 1.959 -10.954 1.00 74.40 C ATOM 1533 CE1 HIS A2106 3.564 1.684 -12.327 1.00 73.51 C ATOM 1534 NE2 HIS A2106 2.370 2.316 -12.135 1.00 42.14 N ATOM 0 H HIS A2106 1.283 1.651 -7.453 1.00 35.03 H new ATOM 0 HA HIS A2106 0.730 -0.161 -9.558 1.00 44.31 H new ATOM 0 HB2 HIS A2106 3.092 1.049 -8.267 1.00 43.23 H new ATOM 0 HB3 HIS A2106 3.366 -0.484 -9.071 1.00 43.23 H new ATOM 0 HD2 HIS A2106 0.951 2.298 -10.527 1.00 74.40 H new ATOM 0 HE1 HIS A2106 4.198 1.776 -13.196 1.00 73.51 H new ATOM 0 HE2 HIS A2106 1.925 2.957 -12.792 1.00 42.14 H new ATOM 1543 N VAL A2107 1.681 -1.467 -6.701 1.00 20.41 N ATOM 1544 CA VAL A2107 1.727 -2.707 -5.944 1.00 0.31 C ATOM 1545 C VAL A2107 0.305 -3.122 -5.565 1.00 53.31 C ATOM 1546 O VAL A2107 -0.010 -4.310 -5.525 1.00 52.34 O ATOM 1547 CB VAL A2107 2.647 -2.545 -4.731 1.00 73.33 C ATOM 1548 CG1 VAL A2107 3.680 -1.441 -4.970 1.00 30.40 C ATOM 1549 CG2 VAL A2107 1.836 -2.272 -3.462 1.00 74.00 C ATOM 0 H VAL A2107 1.960 -0.637 -6.178 1.00 20.41 H new ATOM 0 HA VAL A2107 2.148 -3.509 -6.550 1.00 0.31 H new ATOM 0 HB VAL A2107 3.185 -3.482 -4.590 1.00 73.33 H new ATOM 0 HG11 VAL A2107 4.321 -1.346 -4.093 1.00 30.40 H new ATOM 0 HG12 VAL A2107 4.288 -1.694 -5.839 1.00 30.40 H new ATOM 0 HG13 VAL A2107 3.168 -0.496 -5.149 1.00 30.40 H new ATOM 0 HG21 VAL A2107 2.513 -2.161 -2.615 1.00 74.00 H new ATOM 0 HG22 VAL A2107 1.260 -1.356 -3.589 1.00 74.00 H new ATOM 0 HG23 VAL A2107 1.157 -3.105 -3.278 1.00 74.00 H new ATOM 1559 N PHE A2108 -0.518 -2.119 -5.295 1.00 74.45 N ATOM 1560 CA PHE A2108 -1.899 -2.364 -4.921 1.00 54.03 C ATOM 1561 C PHE A2108 -2.723 -2.813 -6.129 1.00 72.45 C ATOM 1562 O PHE A2108 -3.667 -3.589 -5.987 1.00 4.20 O ATOM 1563 CB PHE A2108 -2.463 -1.040 -4.397 1.00 74.31 C ATOM 1564 CG PHE A2108 -2.331 -0.863 -2.884 1.00 13.41 C ATOM 1565 CD1 PHE A2108 -1.167 -0.399 -2.352 1.00 42.25 C ATOM 1566 CD2 PHE A2108 -3.375 -1.168 -2.069 1.00 32.34 C ATOM 1567 CE1 PHE A2108 -1.043 -0.234 -0.947 1.00 23.01 C ATOM 1568 CE2 PHE A2108 -3.252 -1.003 -0.664 1.00 30.22 C ATOM 1569 CZ PHE A2108 -2.090 -0.540 -0.133 1.00 51.52 C ATOM 0 H PHE A2108 -0.254 -1.134 -5.328 1.00 74.45 H new ATOM 0 HA PHE A2108 -1.946 -3.152 -4.170 1.00 54.03 H new ATOM 0 HB2 PHE A2108 -1.951 -0.216 -4.895 1.00 74.31 H new ATOM 0 HB3 PHE A2108 -3.516 -0.972 -4.670 1.00 74.31 H new ATOM 0 HD1 PHE A2108 -0.337 -0.156 -2.999 1.00 42.25 H new ATOM 0 HD2 PHE A2108 -4.299 -1.536 -2.490 1.00 32.34 H new ATOM 0 HE1 PHE A2108 -0.119 0.134 -0.525 1.00 23.01 H new ATOM 0 HE2 PHE A2108 -4.082 -1.246 -0.017 1.00 30.22 H new ATOM 0 HZ PHE A2108 -1.997 -0.415 0.936 1.00 51.52 H new ATOM 1579 N ARG A2109 -2.338 -2.303 -7.290 1.00 1.42 N ATOM 1580 CA ARG A2109 -3.031 -2.644 -8.522 1.00 51.10 C ATOM 1581 C ARG A2109 -2.568 -4.011 -9.031 1.00 73.43 C ATOM 1582 O ARG A2109 -3.305 -4.693 -9.740 1.00 5.42 O ATOM 1583 CB ARG A2109 -2.777 -1.592 -9.603 1.00 43.24 C ATOM 1584 CG ARG A2109 -1.435 -1.834 -10.301 1.00 41.11 C ATOM 1585 CD ARG A2109 -1.641 -2.450 -11.686 1.00 62.42 C ATOM 1586 NE ARG A2109 -0.439 -2.229 -12.521 1.00 33.02 N ATOM 1587 CZ ARG A2109 -0.121 -1.048 -13.093 1.00 31.50 C ATOM 1588 NH1 ARG A2109 -0.915 0.030 -12.923 1.00 13.20 N ATOM 1589 NH2 ARG A2109 0.977 -0.965 -13.821 1.00 12.33 N ATOM 0 H ARG A2109 -1.557 -1.657 -7.404 1.00 1.42 H new ATOM 0 HA ARG A2109 -4.099 -2.677 -8.305 1.00 51.10 H new ATOM 0 HB2 ARG A2109 -3.582 -1.618 -10.337 1.00 43.24 H new ATOM 0 HB3 ARG A2109 -2.785 -0.598 -9.157 1.00 43.24 H new ATOM 0 HG2 ARG A2109 -0.895 -0.892 -10.395 1.00 41.11 H new ATOM 0 HG3 ARG A2109 -0.819 -2.496 -9.693 1.00 41.11 H new ATOM 0 HD2 ARG A2109 -1.838 -3.518 -11.593 1.00 62.42 H new ATOM 0 HD3 ARG A2109 -2.514 -2.006 -12.165 1.00 62.42 H new ATOM 0 HE ARG A2109 0.189 -3.018 -12.674 1.00 33.02 H new ATOM 0 HH11 ARG A2109 -1.762 -0.044 -12.359 1.00 13.20 H new ATOM 0 HH12 ARG A2109 -0.668 0.919 -13.358 1.00 13.20 H new ATOM 0 HH21 ARG A2109 1.570 -1.785 -13.944 1.00 12.33 H new ATOM 0 HH22 ARG A2109 1.232 -0.080 -14.260 1.00 12.33 H new ATOM 1601 N ARG A2110 -1.352 -4.369 -8.648 1.00 50.24 N ATOM 1602 CA ARG A2110 -0.783 -5.641 -9.056 1.00 44.25 C ATOM 1603 C ARG A2110 -1.410 -6.784 -8.256 1.00 22.51 C ATOM 1604 O ARG A2110 -1.859 -7.775 -8.829 1.00 72.32 O ATOM 1605 CB ARG A2110 0.734 -5.658 -8.854 1.00 1.03 C ATOM 1606 CG ARG A2110 1.466 -5.378 -10.169 1.00 13.24 C ATOM 1607 CD ARG A2110 1.620 -6.657 -10.992 1.00 23.42 C ATOM 1608 NE ARG A2110 2.800 -7.420 -10.529 1.00 2.44 N ATOM 1609 CZ ARG A2110 3.314 -8.489 -11.175 1.00 14.01 C ATOM 1610 NH1 ARG A2110 2.752 -8.931 -12.320 1.00 42.14 N ATOM 1611 NH2 ARG A2110 4.373 -9.094 -10.671 1.00 31.22 N ATOM 0 H ARG A2110 -0.744 -3.800 -8.059 1.00 50.24 H new ATOM 0 HA ARG A2110 -0.998 -5.774 -10.116 1.00 44.25 H new ATOM 0 HB2 ARG A2110 1.014 -4.911 -8.112 1.00 1.03 H new ATOM 0 HB3 ARG A2110 1.041 -6.627 -8.462 1.00 1.03 H new ATOM 0 HG2 ARG A2110 0.915 -4.635 -10.745 1.00 13.24 H new ATOM 0 HG3 ARG A2110 2.449 -4.955 -9.960 1.00 13.24 H new ATOM 0 HD2 ARG A2110 0.722 -7.269 -10.900 1.00 23.42 H new ATOM 0 HD3 ARG A2110 1.729 -6.409 -12.048 1.00 23.42 H new ATOM 0 HE ARG A2110 3.254 -7.119 -9.667 1.00 2.44 H new ATOM 0 HH11 ARG A2110 1.934 -8.457 -12.703 1.00 42.14 H new ATOM 0 HH12 ARG A2110 3.146 -9.739 -12.803 1.00 42.14 H new ATOM 0 HH21 ARG A2110 4.791 -8.753 -9.806 1.00 31.22 H new ATOM 0 HH22 ARG A2110 4.773 -9.903 -11.147 1.00 31.22 H new ATOM 1623 N ILE A2111 -1.419 -6.609 -6.943 1.00 61.55 N ATOM 1624 CA ILE A2111 -1.984 -7.613 -6.057 1.00 43.52 C ATOM 1625 C ILE A2111 -3.287 -8.142 -6.659 1.00 11.12 C ATOM 1626 O ILE A2111 -3.584 -9.333 -6.557 1.00 51.43 O ATOM 1627 CB ILE A2111 -2.141 -7.052 -4.642 1.00 24.34 C ATOM 1628 CG1 ILE A2111 -2.763 -5.655 -4.674 1.00 31.13 C ATOM 1629 CG2 ILE A2111 -0.808 -7.070 -3.893 1.00 4.14 C ATOM 1630 CD1 ILE A2111 -2.914 -5.090 -3.259 1.00 22.35 C ATOM 0 H ILE A2111 -1.044 -5.786 -6.471 1.00 61.55 H new ATOM 0 HA ILE A2111 -1.308 -8.463 -5.963 1.00 43.52 H new ATOM 0 HB ILE A2111 -2.826 -7.697 -4.092 1.00 24.34 H new ATOM 0 HG12 ILE A2111 -2.140 -4.989 -5.271 1.00 31.13 H new ATOM 0 HG13 ILE A2111 -3.739 -5.698 -5.158 1.00 31.13 H new ATOM 0 HG21 ILE A2111 -0.948 -6.666 -2.890 1.00 4.14 H new ATOM 0 HG22 ILE A2111 -0.444 -8.095 -3.823 1.00 4.14 H new ATOM 0 HG23 ILE A2111 -0.080 -6.462 -4.431 1.00 4.14 H new ATOM 0 HD11 ILE A2111 -3.358 -4.096 -3.310 1.00 22.35 H new ATOM 0 HD12 ILE A2111 -3.557 -5.746 -2.672 1.00 22.35 H new ATOM 0 HD13 ILE A2111 -1.934 -5.025 -2.786 1.00 22.35 H new ATOM 1642 N SER A2112 -4.030 -7.232 -7.271 1.00 45.10 N ATOM 1643 CA SER A2112 -5.296 -7.593 -7.889 1.00 3.55 C ATOM 1644 C SER A2112 -5.049 -8.188 -9.276 1.00 60.14 C ATOM 1645 O SER A2112 -5.627 -9.216 -9.626 1.00 55.31 O ATOM 1646 CB SER A2112 -6.225 -6.383 -7.987 1.00 44.44 C ATOM 1647 OG SER A2112 -5.628 -5.310 -8.711 1.00 63.03 O ATOM 0 H SER A2112 -3.781 -6.246 -7.353 1.00 45.10 H new ATOM 0 HA SER A2112 -5.783 -8.340 -7.262 1.00 3.55 H new ATOM 0 HB2 SER A2112 -7.154 -6.678 -8.475 1.00 44.44 H new ATOM 0 HB3 SER A2112 -6.486 -6.044 -6.985 1.00 44.44 H new ATOM 0 HG SER A2112 -4.654 -5.420 -8.715 1.00 63.03 H new ATOM 1653 N LYS A2113 -4.190 -7.517 -10.029 1.00 23.11 N ATOM 1654 CA LYS A2113 -3.861 -7.966 -11.371 1.00 11.11 C ATOM 1655 C LYS A2113 -3.369 -9.414 -11.312 1.00 5.43 C ATOM 1656 O LYS A2113 -2.625 -9.786 -10.406 1.00 71.41 O ATOM 1657 CB LYS A2113 -2.869 -7.007 -12.031 1.00 32.22 C ATOM 1658 CG LYS A2113 -3.460 -6.397 -13.303 1.00 4.44 C ATOM 1659 CD LYS A2113 -4.482 -5.311 -12.966 1.00 71.54 C ATOM 1660 CE LYS A2113 -5.424 -5.060 -14.148 1.00 0.14 C ATOM 1661 NZ LYS A2113 -6.833 -5.238 -13.733 1.00 2.41 N ATOM 0 H LYS A2113 -3.712 -6.665 -9.735 1.00 23.11 H new ATOM 0 HA LYS A2113 -4.748 -7.954 -12.004 1.00 11.11 H new ATOM 0 HB2 LYS A2113 -2.605 -6.214 -11.332 1.00 32.22 H new ATOM 0 HB3 LYS A2113 -1.949 -7.539 -12.272 1.00 32.22 H new ATOM 0 HG2 LYS A2113 -2.662 -5.974 -13.912 1.00 4.44 H new ATOM 0 HG3 LYS A2113 -3.935 -7.177 -13.898 1.00 4.44 H new ATOM 0 HD2 LYS A2113 -5.061 -5.609 -12.092 1.00 71.54 H new ATOM 0 HD3 LYS A2113 -3.965 -4.388 -12.706 1.00 71.54 H new ATOM 0 HE2 LYS A2113 -5.276 -4.050 -14.531 1.00 0.14 H new ATOM 0 HE3 LYS A2113 -5.188 -5.747 -14.961 1.00 0.14 H new ATOM 0 HZ1 LYS A2113 -7.459 -5.064 -14.545 1.00 2.41 H new ATOM 0 HZ2 LYS A2113 -6.974 -6.209 -13.389 1.00 2.41 H new ATOM 0 HZ3 LYS A2113 -7.058 -4.565 -12.972 1.00 2.41 H new