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: A2085 CYS SG : rot 63:sc= 0.234 USER MOD Set 1.2: A2104 TYR OH : rot 159:sc= 0.0344 USER MOD Set 2.1: A2069 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A2072 GLN : amide:sc= -1.92! X(o=-1.9!,f=-1.7) USER MOD Set 3.1: A2026 MET CE :methyl 160:sc= -6.95! (180deg=-2.56) USER MOD Set 3.2: A2057 MET CE :methyl 165:sc= -1.18 (180deg=-1.3) USER MOD Set 3.3: A2058 MET CE :methyl -176:sc= -14.5! (180deg=-8.14!) USER MOD Single : A2024 HIS : no HD1:sc= -4.98! C(o=-5!,f=-9.1!) USER MOD Single : A2028 HIS : no HE2:sc= 0 X(o=0,f=-0.067) USER MOD Single : A2035 SER OG : rot 180:sc= 0 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.103 X(o=-0.1,f=0.24) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -139:sc= -5.79! (180deg=-7.98!) USER MOD Single : A2055 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-1.3!) USER MOD Single : A2063 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.1!) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.511 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 : A2071 ASN : amide:sc= -0.0635 X(o=-0.063,f=-0.42) USER MOD Single : A2074 TYR OH : rot 165:sc= -1.45 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc=-0.00143 USER MOD Single : A2089 MET CE :methyl -112:sc= -8.63! (180deg=-13.9!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.408 K(o=-0.41,f=-3.1!) 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=-0.00744 X(o=-0.0074,f=-0.28) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.29) USER MOD Single : A2112 SER OG : rot 12:sc= -0.221 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A2022 -7.989 -12.612 2.379 1.00 54.23 N ATOM 144 CA LEU A2022 -6.547 -12.777 2.383 1.00 44.01 C ATOM 145 C LEU A2022 -5.879 -11.410 2.540 1.00 50.30 C ATOM 146 O LEU A2022 -6.559 -10.386 2.595 1.00 31.23 O ATOM 147 CB LEU A2022 -6.093 -13.542 1.138 1.00 44.03 C ATOM 148 CG LEU A2022 -5.097 -14.680 1.374 1.00 11.42 C ATOM 149 CD1 LEU A2022 -3.655 -14.174 1.288 1.00 63.51 C ATOM 150 CD2 LEU A2022 -5.379 -15.387 2.702 1.00 43.12 C ATOM 0 HA LEU A2022 -6.237 -13.382 3.235 1.00 44.01 H new ATOM 0 HB2 LEU A2022 -6.975 -13.954 0.648 1.00 44.03 H new ATOM 0 HB3 LEU A2022 -5.645 -12.832 0.443 1.00 44.03 H new ATOM 0 HG LEU A2022 -5.226 -15.418 0.582 1.00 11.42 H new ATOM 0 HD11 LEU A2022 -2.968 -15.003 1.459 1.00 63.51 H new ATOM 0 HD12 LEU A2022 -3.476 -13.753 0.299 1.00 63.51 H new ATOM 0 HD13 LEU A2022 -3.493 -13.406 2.044 1.00 63.51 H new ATOM 0 HD21 LEU A2022 -4.658 -16.191 2.846 1.00 43.12 H new ATOM 0 HD22 LEU A2022 -5.294 -14.672 3.520 1.00 43.12 H new ATOM 0 HD23 LEU A2022 -6.387 -15.802 2.687 1.00 43.12 H new ATOM 162 N TRP A2023 -4.557 -11.436 2.608 1.00 54.24 N ATOM 163 CA TRP A2023 -3.790 -10.210 2.759 1.00 11.23 C ATOM 164 C TRP A2023 -4.272 -9.218 1.700 1.00 4.04 C ATOM 165 O TRP A2023 -4.547 -8.060 2.009 1.00 45.02 O ATOM 166 CB TRP A2023 -2.288 -10.490 2.678 1.00 61.54 C ATOM 167 CG TRP A2023 -1.642 -10.823 4.024 1.00 32.40 C ATOM 168 CD1 TRP A2023 -2.252 -11.161 5.170 1.00 14.14 C ATOM 169 CD2 TRP A2023 -0.230 -10.838 4.321 1.00 42.13 C ATOM 170 NE1 TRP A2023 -1.338 -11.390 6.179 1.00 35.14 N ATOM 171 CE2 TRP A2023 -0.070 -11.188 5.647 1.00 41.05 C ATOM 172 CE3 TRP A2023 0.875 -10.563 3.497 1.00 11.32 C ATOM 173 CZ2 TRP A2023 1.181 -11.296 6.265 1.00 11.33 C ATOM 174 CZ3 TRP A2023 2.118 -10.676 4.131 1.00 0.34 C ATOM 175 CH2 TRP A2023 2.297 -11.028 5.464 1.00 74.44 C ATOM 0 H TRP A2023 -3.996 -12.287 2.561 1.00 54.24 H new ATOM 0 HA TRP A2023 -3.951 -9.772 3.744 1.00 11.23 H new ATOM 0 HB2 TRP A2023 -2.120 -11.320 1.991 1.00 61.54 H new ATOM 0 HB3 TRP A2023 -1.789 -9.619 2.253 1.00 61.54 H new ATOM 0 HD1 TRP A2023 -3.322 -11.243 5.288 1.00 14.14 H new ATOM 0 HE1 TRP A2023 -1.554 -11.658 7.139 1.00 35.14 H new ATOM 0 HE3 TRP A2023 0.773 -10.287 2.458 1.00 11.32 H new ATOM 0 HZ2 TRP A2023 1.280 -11.571 7.305 1.00 11.33 H new ATOM 0 HZ3 TRP A2023 3.001 -10.475 3.542 1.00 0.34 H new ATOM 0 HH2 TRP A2023 3.292 -11.094 5.879 1.00 74.44 H new ATOM 186 N HIS A2024 -4.359 -9.708 0.472 1.00 21.51 N ATOM 187 CA HIS A2024 -4.804 -8.879 -0.635 1.00 51.03 C ATOM 188 C HIS A2024 -6.082 -8.138 -0.241 1.00 62.30 C ATOM 189 O HIS A2024 -6.385 -7.077 -0.787 1.00 44.42 O ATOM 190 CB HIS A2024 -4.970 -9.713 -1.906 1.00 44.20 C ATOM 191 CG HIS A2024 -3.911 -10.774 -2.087 1.00 64.41 C ATOM 192 ND1 HIS A2024 -4.168 -12.124 -1.921 1.00 10.42 N ATOM 193 CD2 HIS A2024 -2.593 -10.671 -2.422 1.00 44.22 C ATOM 194 CE1 HIS A2024 -3.047 -12.794 -2.146 1.00 42.32 C ATOM 195 NE2 HIS A2024 -2.073 -11.893 -2.457 1.00 45.15 N ATOM 0 H HIS A2024 -4.129 -10.669 0.219 1.00 21.51 H new ATOM 0 HA HIS A2024 -4.046 -8.129 -0.859 1.00 51.03 H new ATOM 0 HB2 HIS A2024 -5.949 -10.191 -1.889 1.00 44.20 H new ATOM 0 HB3 HIS A2024 -4.955 -9.048 -2.769 1.00 44.20 H new ATOM 0 HD2 HIS A2024 -2.062 -9.752 -2.624 1.00 44.22 H new ATOM 0 HE1 HIS A2024 -2.926 -13.866 -2.092 1.00 42.32 H new ATOM 0 HE2 HIS A2024 -1.104 -12.120 -2.680 1.00 45.15 H new ATOM 204 N GLU A2025 -6.801 -8.725 0.705 1.00 51.54 N ATOM 205 CA GLU A2025 -8.041 -8.134 1.179 1.00 12.21 C ATOM 206 C GLU A2025 -7.749 -6.872 1.995 1.00 52.31 C ATOM 207 O GLU A2025 -8.531 -5.924 1.977 1.00 41.53 O ATOM 208 CB GLU A2025 -8.850 -9.141 1.999 1.00 45.01 C ATOM 209 CG GLU A2025 -10.288 -8.658 2.194 1.00 13.23 C ATOM 210 CD GLU A2025 -11.028 -9.534 3.207 1.00 5.24 C ATOM 211 OE1 GLU A2025 -10.401 -10.362 3.885 1.00 4.24 O ATOM 212 OE2 GLU A2025 -12.300 -9.331 3.279 1.00 43.55 O ATOM 0 H GLU A2025 -6.548 -9.604 1.156 1.00 51.54 H new ATOM 0 HA GLU A2025 -8.641 -7.854 0.314 1.00 12.21 H new ATOM 0 HB2 GLU A2025 -8.852 -10.108 1.495 1.00 45.01 H new ATOM 0 HB3 GLU A2025 -8.377 -9.289 2.970 1.00 45.01 H new ATOM 0 HG2 GLU A2025 -10.285 -7.623 2.537 1.00 13.23 H new ATOM 0 HG3 GLU A2025 -10.814 -8.676 1.240 1.00 13.23 H new ATOM 220 N MET A2026 -6.623 -6.903 2.691 1.00 51.24 N ATOM 221 CA MET A2026 -6.218 -5.775 3.512 1.00 71.35 C ATOM 222 C MET A2026 -5.690 -4.629 2.647 1.00 4.04 C ATOM 223 O MET A2026 -5.816 -3.461 3.013 1.00 65.34 O ATOM 224 CB MET A2026 -5.130 -6.219 4.492 1.00 41.33 C ATOM 225 CG MET A2026 -3.736 -6.017 3.892 1.00 64.33 C ATOM 226 SD MET A2026 -3.184 -4.346 4.182 1.00 53.30 S ATOM 227 CE MET A2026 -1.416 -4.588 4.112 1.00 73.22 C ATOM 0 H MET A2026 -5.977 -7.693 2.703 1.00 51.24 H new ATOM 0 HA MET A2026 -7.090 -5.419 4.061 1.00 71.35 H new ATOM 0 HB2 MET A2026 -5.217 -5.652 5.419 1.00 41.33 H new ATOM 0 HB3 MET A2026 -5.272 -7.269 4.747 1.00 41.33 H new ATOM 0 HG2 MET A2026 -3.034 -6.723 4.336 1.00 64.33 H new ATOM 0 HG3 MET A2026 -3.759 -6.221 2.821 1.00 64.33 H new ATOM 0 HE1 MET A2026 -0.926 -3.634 3.918 1.00 73.22 H new ATOM 0 HE2 MET A2026 -1.066 -4.989 5.063 1.00 73.22 H new ATOM 0 HE3 MET A2026 -1.176 -5.289 3.312 1.00 73.22 H new ATOM 237 N TRP A2027 -5.108 -5.003 1.516 1.00 60.33 N ATOM 238 CA TRP A2027 -4.561 -4.022 0.596 1.00 13.11 C ATOM 239 C TRP A2027 -5.730 -3.282 -0.059 1.00 40.41 C ATOM 240 O TRP A2027 -5.767 -2.053 -0.061 1.00 15.21 O ATOM 241 CB TRP A2027 -3.628 -4.684 -0.421 1.00 30.11 C ATOM 242 CG TRP A2027 -2.331 -5.223 0.184 1.00 43.14 C ATOM 243 CD1 TRP A2027 -2.159 -6.332 0.915 1.00 32.10 C ATOM 244 CD2 TRP A2027 -1.021 -4.626 0.077 1.00 61.31 C ATOM 245 NE1 TRP A2027 -0.840 -6.494 1.288 1.00 73.05 N ATOM 246 CE2 TRP A2027 -0.126 -5.423 0.761 1.00 3.21 C ATOM 247 CE3 TRP A2027 -0.606 -3.452 -0.574 1.00 24.15 C ATOM 248 CZ2 TRP A2027 1.240 -5.133 0.860 1.00 51.01 C ATOM 249 CZ3 TRP A2027 0.764 -3.177 -0.467 1.00 55.31 C ATOM 250 CH2 TRP A2027 1.678 -3.968 0.218 1.00 22.04 C ATOM 0 H TRP A2027 -5.004 -5.973 1.217 1.00 60.33 H new ATOM 0 HA TRP A2027 -3.945 -3.297 1.128 1.00 13.11 H new ATOM 0 HB2 TRP A2027 -4.159 -5.503 -0.906 1.00 30.11 H new ATOM 0 HB3 TRP A2027 -3.381 -3.960 -1.198 1.00 30.11 H new ATOM 0 HD1 TRP A2027 -2.953 -7.014 1.180 1.00 32.10 H new ATOM 0 HE1 TRP A2027 -0.459 -7.258 1.847 1.00 73.05 H new ATOM 0 HE3 TRP A2027 -1.289 -2.812 -1.114 1.00 24.15 H new ATOM 0 HZ2 TRP A2027 1.920 -5.773 1.402 1.00 51.01 H new ATOM 0 HZ3 TRP A2027 1.136 -2.286 -0.952 1.00 55.31 H new ATOM 0 HH2 TRP A2027 2.720 -3.686 0.255 1.00 22.04 H new ATOM 261 N HIS A2028 -6.655 -4.063 -0.596 1.00 64.43 N ATOM 262 CA HIS A2028 -7.821 -3.497 -1.252 1.00 32.23 C ATOM 263 C HIS A2028 -8.595 -2.623 -0.262 1.00 4.44 C ATOM 264 O HIS A2028 -8.786 -1.432 -0.498 1.00 41.45 O ATOM 265 CB HIS A2028 -8.685 -4.599 -1.870 1.00 32.51 C ATOM 266 CG HIS A2028 -8.809 -4.513 -3.372 1.00 21.54 C ATOM 267 ND1 HIS A2028 -9.917 -3.976 -4.004 1.00 62.44 N ATOM 268 CD2 HIS A2028 -7.952 -4.901 -4.361 1.00 71.35 C ATOM 269 CE1 HIS A2028 -9.725 -4.043 -5.313 1.00 23.12 C ATOM 270 NE2 HIS A2028 -8.507 -4.617 -5.533 1.00 71.23 N ATOM 0 H HIS A2028 -6.621 -5.082 -0.590 1.00 64.43 H new ATOM 0 HA HIS A2028 -7.504 -2.858 -2.076 1.00 32.23 H new ATOM 0 HB2 HIS A2028 -8.263 -5.569 -1.606 1.00 32.51 H new ATOM 0 HB3 HIS A2028 -9.681 -4.555 -1.430 1.00 32.51 H new ATOM 0 HD1 HIS A2028 -10.741 -3.594 -3.541 1.00 62.44 H new ATOM 0 HD2 HIS A2028 -6.986 -5.361 -4.215 1.00 71.35 H new ATOM 0 HE1 HIS A2028 -10.413 -3.703 -6.073 1.00 23.12 H new ATOM 279 N GLU A2029 -9.017 -3.251 0.827 1.00 43.44 N ATOM 280 CA GLU A2029 -9.764 -2.545 1.854 1.00 20.15 C ATOM 281 C GLU A2029 -8.929 -1.395 2.422 1.00 71.50 C ATOM 282 O GLU A2029 -9.476 -0.382 2.856 1.00 61.44 O ATOM 283 CB GLU A2029 -10.207 -3.502 2.964 1.00 12.14 C ATOM 284 CG GLU A2029 -9.126 -3.631 4.038 1.00 34.02 C ATOM 285 CD GLU A2029 -9.472 -4.742 5.032 1.00 75.31 C ATOM 286 OE1 GLU A2029 -9.341 -4.548 6.249 1.00 14.42 O ATOM 287 OE2 GLU A2029 -9.891 -5.839 4.498 1.00 22.03 O ATOM 0 H GLU A2029 -8.856 -4.240 1.020 1.00 43.44 H new ATOM 0 HA GLU A2029 -10.662 -2.126 1.400 1.00 20.15 H new ATOM 0 HB2 GLU A2029 -11.131 -3.140 3.414 1.00 12.14 H new ATOM 0 HB3 GLU A2029 -10.422 -4.483 2.540 1.00 12.14 H new ATOM 0 HG2 GLU A2029 -8.165 -3.844 3.569 1.00 34.02 H new ATOM 0 HG3 GLU A2029 -9.019 -2.684 4.568 1.00 34.02 H new ATOM 295 N GLY A2030 -7.619 -1.591 2.402 1.00 23.32 N ATOM 296 CA GLY A2030 -6.704 -0.583 2.910 1.00 3.35 C ATOM 297 C GLY A2030 -6.846 0.727 2.132 1.00 20.43 C ATOM 298 O GLY A2030 -7.247 1.746 2.692 1.00 42.51 O ATOM 0 H GLY A2030 -7.169 -2.433 2.042 1.00 23.32 H new ATOM 0 HA2 GLY A2030 -6.903 -0.406 3.967 1.00 3.35 H new ATOM 0 HA3 GLY A2030 -5.679 -0.946 2.835 1.00 3.35 H new ATOM 302 N LEU A2031 -6.508 0.659 0.853 1.00 31.43 N ATOM 303 CA LEU A2031 -6.592 1.826 -0.008 1.00 13.40 C ATOM 304 C LEU A2031 -8.052 2.267 -0.119 1.00 60.02 C ATOM 305 O LEU A2031 -8.337 3.456 -0.260 1.00 43.03 O ATOM 306 CB LEU A2031 -5.931 1.545 -1.358 1.00 64.21 C ATOM 307 CG LEU A2031 -4.409 1.387 -1.341 1.00 1.34 C ATOM 308 CD1 LEU A2031 -3.869 1.104 -2.742 1.00 23.14 C ATOM 309 CD2 LEU A2031 -3.738 2.605 -0.703 1.00 44.23 C ATOM 0 H LEU A2031 -6.175 -0.188 0.392 1.00 31.43 H new ATOM 0 HA LEU A2031 -6.038 2.659 0.424 1.00 13.40 H new ATOM 0 HB2 LEU A2031 -6.366 0.635 -1.770 1.00 64.21 H new ATOM 0 HB3 LEU A2031 -6.184 2.357 -2.040 1.00 64.21 H new ATOM 0 HG LEU A2031 -4.164 0.523 -0.723 1.00 1.34 H new ATOM 0 HD11 LEU A2031 -2.785 0.996 -2.699 1.00 23.14 H new ATOM 0 HD12 LEU A2031 -4.310 0.183 -3.123 1.00 23.14 H new ATOM 0 HD13 LEU A2031 -4.126 1.930 -3.405 1.00 23.14 H new ATOM 0 HD21 LEU A2031 -2.657 2.467 -0.704 1.00 44.23 H new ATOM 0 HD22 LEU A2031 -3.990 3.499 -1.273 1.00 44.23 H new ATOM 0 HD23 LEU A2031 -4.089 2.718 0.323 1.00 44.23 H new ATOM 321 N GLU A2032 -8.941 1.288 -0.050 1.00 52.11 N ATOM 322 CA GLU A2032 -10.366 1.561 -0.139 1.00 44.13 C ATOM 323 C GLU A2032 -10.764 2.641 0.866 1.00 11.33 C ATOM 324 O GLU A2032 -11.404 3.627 0.503 1.00 61.24 O ATOM 325 CB GLU A2032 -11.183 0.285 0.073 1.00 31.30 C ATOM 326 CG GLU A2032 -11.911 -0.121 -1.210 1.00 2.55 C ATOM 327 CD GLU A2032 -12.790 1.019 -1.725 1.00 52.25 C ATOM 328 OE1 GLU A2032 -13.276 1.836 -0.929 1.00 72.15 O ATOM 329 OE2 GLU A2032 -12.963 1.041 -3.005 1.00 3.24 O ATOM 0 H GLU A2032 -8.702 0.303 0.067 1.00 52.11 H new ATOM 0 HA GLU A2032 -10.583 1.929 -1.142 1.00 44.13 H new ATOM 0 HB2 GLU A2032 -10.525 -0.523 0.393 1.00 31.30 H new ATOM 0 HB3 GLU A2032 -11.908 0.442 0.872 1.00 31.30 H new ATOM 0 HG2 GLU A2032 -11.184 -0.397 -1.973 1.00 2.55 H new ATOM 0 HG3 GLU A2032 -12.525 -1.002 -1.021 1.00 2.55 H new ATOM 337 N GLU A2033 -10.369 2.421 2.111 1.00 12.21 N ATOM 338 CA GLU A2033 -10.676 3.364 3.172 1.00 13.14 C ATOM 339 C GLU A2033 -9.772 4.596 3.067 1.00 35.34 C ATOM 340 O GLU A2033 -10.253 5.727 3.108 1.00 52.40 O ATOM 341 CB GLU A2033 -10.545 2.705 4.547 1.00 73.34 C ATOM 342 CG GLU A2033 -11.511 3.337 5.551 1.00 11.12 C ATOM 343 CD GLU A2033 -11.972 2.312 6.590 1.00 24.22 C ATOM 344 OE1 GLU A2033 -11.235 1.360 6.889 1.00 14.23 O ATOM 345 OE2 GLU A2033 -13.140 2.530 7.092 1.00 43.21 O ATOM 0 H GLU A2033 -9.838 1.602 2.409 1.00 12.21 H new ATOM 0 HA GLU A2033 -11.711 3.686 3.056 1.00 13.14 H new ATOM 0 HB2 GLU A2033 -10.748 1.637 4.464 1.00 73.34 H new ATOM 0 HB3 GLU A2033 -9.521 2.807 4.907 1.00 73.34 H new ATOM 0 HG2 GLU A2033 -11.024 4.174 6.052 1.00 11.12 H new ATOM 0 HG3 GLU A2033 -12.376 3.740 5.024 1.00 11.12 H new ATOM 353 N ALA A2034 -8.481 4.332 2.933 1.00 32.13 N ATOM 354 CA ALA A2034 -7.507 5.404 2.820 1.00 55.33 C ATOM 355 C ALA A2034 -7.939 6.367 1.714 1.00 42.53 C ATOM 356 O ALA A2034 -7.959 7.581 1.915 1.00 3.14 O ATOM 357 CB ALA A2034 -6.119 4.810 2.569 1.00 4.34 C ATOM 0 H ALA A2034 -8.087 3.392 2.900 1.00 32.13 H new ATOM 0 HA ALA A2034 -7.454 5.973 3.748 1.00 55.33 H new ATOM 0 HB1 ALA A2034 -5.389 5.615 2.484 1.00 4.34 H new ATOM 0 HB2 ALA A2034 -5.846 4.159 3.399 1.00 4.34 H new ATOM 0 HB3 ALA A2034 -6.132 4.233 1.644 1.00 4.34 H new ATOM 363 N SER A2035 -8.271 5.790 0.569 1.00 35.40 N ATOM 364 CA SER A2035 -8.702 6.583 -0.571 1.00 35.42 C ATOM 365 C SER A2035 -10.055 7.232 -0.275 1.00 31.10 C ATOM 366 O SER A2035 -10.273 8.399 -0.601 1.00 71.21 O ATOM 367 CB SER A2035 -8.791 5.725 -1.835 1.00 55.04 C ATOM 368 OG SER A2035 -9.492 6.390 -2.882 1.00 62.24 O ATOM 0 H SER A2035 -8.251 4.783 0.405 1.00 35.40 H new ATOM 0 HA SER A2035 -7.962 7.364 -0.745 1.00 35.42 H new ATOM 0 HB2 SER A2035 -7.786 5.473 -2.174 1.00 55.04 H new ATOM 0 HB3 SER A2035 -9.293 4.786 -1.602 1.00 55.04 H new ATOM 0 HG SER A2035 -9.526 5.811 -3.672 1.00 62.24 H new ATOM 374 N ARG A2036 -10.930 6.451 0.341 1.00 62.21 N ATOM 375 CA ARG A2036 -12.256 6.937 0.684 1.00 31.11 C ATOM 376 C ARG A2036 -12.157 8.275 1.420 1.00 21.44 C ATOM 377 O ARG A2036 -12.803 9.248 1.034 1.00 72.13 O ATOM 378 CB ARG A2036 -13.000 5.930 1.567 1.00 44.55 C ATOM 379 CG ARG A2036 -14.258 5.414 0.867 1.00 4.12 C ATOM 380 CD ARG A2036 -15.469 5.476 1.800 1.00 15.35 C ATOM 381 NE ARG A2036 -15.872 4.107 2.197 1.00 62.14 N ATOM 382 CZ ARG A2036 -16.559 3.818 3.323 1.00 1.13 C ATOM 383 NH1 ARG A2036 -16.925 4.799 4.175 1.00 62.23 N ATOM 384 NH2 ARG A2036 -16.867 2.559 3.577 1.00 72.11 N ATOM 0 H ARG A2036 -10.747 5.485 0.612 1.00 62.21 H new ATOM 0 HA ARG A2036 -12.812 7.070 -0.244 1.00 31.11 H new ATOM 0 HB2 ARG A2036 -12.343 5.094 1.805 1.00 44.55 H new ATOM 0 HB3 ARG A2036 -13.272 6.400 2.512 1.00 44.55 H new ATOM 0 HG2 ARG A2036 -14.451 6.009 -0.026 1.00 4.12 H new ATOM 0 HG3 ARG A2036 -14.100 4.387 0.538 1.00 4.12 H new ATOM 0 HD2 ARG A2036 -15.227 6.064 2.685 1.00 15.35 H new ATOM 0 HD3 ARG A2036 -16.298 5.978 1.301 1.00 15.35 H new ATOM 0 HE ARG A2036 -15.615 3.335 1.582 1.00 62.14 H new ATOM 0 HH11 ARG A2036 -16.683 5.769 3.971 1.00 62.23 H new ATOM 0 HH12 ARG A2036 -17.444 4.571 5.023 1.00 62.23 H new ATOM 0 HH21 ARG A2036 -16.586 1.824 2.928 1.00 72.11 H new ATOM 0 HH22 ARG A2036 -17.386 2.321 4.423 1.00 72.11 H new ATOM 396 N LEU A2037 -11.345 8.279 2.466 1.00 54.54 N ATOM 397 CA LEU A2037 -11.154 9.483 3.260 1.00 21.13 C ATOM 398 C LEU A2037 -10.339 10.495 2.453 1.00 64.33 C ATOM 399 O LEU A2037 -10.619 11.692 2.490 1.00 73.34 O ATOM 400 CB LEU A2037 -10.535 9.137 4.615 1.00 34.34 C ATOM 401 CG LEU A2037 -9.200 8.389 4.573 1.00 74.43 C ATOM 402 CD1 LEU A2037 -8.026 9.367 4.506 1.00 54.02 C ATOM 403 CD2 LEU A2037 -9.076 7.423 5.754 1.00 71.25 C ATOM 0 H LEU A2037 -10.812 7.469 2.783 1.00 54.54 H new ATOM 0 HA LEU A2037 -12.113 9.950 3.483 1.00 21.13 H new ATOM 0 HB2 LEU A2037 -10.393 10.062 5.174 1.00 34.34 H new ATOM 0 HB3 LEU A2037 -11.249 8.533 5.175 1.00 34.34 H new ATOM 0 HG LEU A2037 -9.172 7.790 3.663 1.00 74.43 H new ATOM 0 HD11 LEU A2037 -7.090 8.810 4.477 1.00 54.02 H new ATOM 0 HD12 LEU A2037 -8.112 9.978 3.608 1.00 54.02 H new ATOM 0 HD13 LEU A2037 -8.038 10.011 5.385 1.00 54.02 H new ATOM 0 HD21 LEU A2037 -8.119 6.904 5.701 1.00 71.25 H new ATOM 0 HD22 LEU A2037 -9.135 7.981 6.688 1.00 71.25 H new ATOM 0 HD23 LEU A2037 -9.886 6.695 5.715 1.00 71.25 H new ATOM 415 N TYR A2038 -9.347 9.979 1.742 1.00 13.10 N ATOM 416 CA TYR A2038 -8.490 10.823 0.928 1.00 63.42 C ATOM 417 C TYR A2038 -9.319 11.689 -0.023 1.00 61.35 C ATOM 418 O TYR A2038 -9.188 12.912 -0.030 1.00 64.12 O ATOM 419 CB TYR A2038 -7.619 9.872 0.105 1.00 22.20 C ATOM 420 CG TYR A2038 -6.608 10.580 -0.799 1.00 53.43 C ATOM 421 CD1 TYR A2038 -5.710 11.478 -0.259 1.00 13.32 C ATOM 422 CD2 TYR A2038 -6.594 10.319 -2.153 1.00 42.52 C ATOM 423 CE1 TYR A2038 -4.758 12.144 -1.110 1.00 31.35 C ATOM 424 CE2 TYR A2038 -5.642 10.986 -3.004 1.00 24.10 C ATOM 425 CZ TYR A2038 -4.771 11.865 -2.442 1.00 54.54 C ATOM 426 OH TYR A2038 -3.872 12.494 -3.245 1.00 32.02 O ATOM 0 H TYR A2038 -9.118 8.986 1.713 1.00 13.10 H new ATOM 0 HA TYR A2038 -7.900 11.491 1.556 1.00 63.42 H new ATOM 0 HB2 TYR A2038 -7.082 9.208 0.783 1.00 22.20 H new ATOM 0 HB3 TYR A2038 -8.264 9.245 -0.510 1.00 22.20 H new ATOM 0 HD1 TYR A2038 -5.721 11.681 0.802 1.00 13.32 H new ATOM 0 HD2 TYR A2038 -7.296 9.615 -2.575 1.00 42.52 H new ATOM 0 HE1 TYR A2038 -4.050 12.849 -0.700 1.00 31.35 H new ATOM 0 HE2 TYR A2038 -5.621 10.792 -4.066 1.00 24.10 H new ATOM 0 HH TYR A2038 -3.996 12.197 -4.171 1.00 32.02 H new ATOM 501 N ASN A2043 -7.641 14.781 4.104 1.00 74.15 N ATOM 502 CA ASN A2043 -6.873 14.297 5.238 1.00 24.22 C ATOM 503 C ASN A2043 -6.105 13.039 4.827 1.00 51.40 C ATOM 504 O ASN A2043 -6.616 11.927 4.946 1.00 74.25 O ATOM 505 CB ASN A2043 -7.788 13.929 6.409 1.00 24.44 C ATOM 506 CG ASN A2043 -8.278 15.183 7.135 1.00 0.31 C ATOM 507 OD1 ASN A2043 -8.511 16.224 6.546 1.00 25.41 O ATOM 508 ND2 ASN A2043 -8.417 15.026 8.448 1.00 30.40 N ATOM 0 HA ASN A2043 -6.193 15.091 5.548 1.00 24.22 H new ATOM 0 HB2 ASN A2043 -8.642 13.359 6.043 1.00 24.44 H new ATOM 0 HB3 ASN A2043 -7.251 13.286 7.107 1.00 24.44 H new ATOM 0 HD21 ASN A2043 -8.736 15.805 9.024 1.00 30.40 H new ATOM 0 HD22 ASN A2043 -8.205 14.126 8.879 1.00 30.40 H new ATOM 515 N VAL A2044 -4.887 13.258 4.350 1.00 53.01 N ATOM 516 CA VAL A2044 -4.042 12.156 3.921 1.00 70.20 C ATOM 517 C VAL A2044 -3.658 11.310 5.135 1.00 14.54 C ATOM 518 O VAL A2044 -3.289 10.145 4.994 1.00 20.21 O ATOM 519 CB VAL A2044 -2.830 12.694 3.158 1.00 31.14 C ATOM 520 CG1 VAL A2044 -1.785 11.595 2.945 1.00 34.44 C ATOM 521 CG2 VAL A2044 -3.252 13.313 1.823 1.00 54.33 C ATOM 0 H VAL A2044 -4.466 14.182 4.251 1.00 53.01 H new ATOM 0 HA VAL A2044 -4.581 11.506 3.232 1.00 70.20 H new ATOM 0 HB VAL A2044 -2.375 13.479 3.763 1.00 31.14 H new ATOM 0 HG11 VAL A2044 -0.934 12.003 2.400 1.00 34.44 H new ATOM 0 HG12 VAL A2044 -1.451 11.219 3.912 1.00 34.44 H new ATOM 0 HG13 VAL A2044 -2.226 10.780 2.371 1.00 34.44 H new ATOM 0 HG21 VAL A2044 -2.371 13.688 1.301 1.00 54.33 H new ATOM 0 HG22 VAL A2044 -3.743 12.557 1.210 1.00 54.33 H new ATOM 0 HG23 VAL A2044 -3.943 14.136 2.006 1.00 54.33 H new ATOM 531 N LYS A2045 -3.757 11.929 6.304 1.00 24.32 N ATOM 532 CA LYS A2045 -3.423 11.248 7.543 1.00 43.55 C ATOM 533 C LYS A2045 -4.171 9.914 7.603 1.00 60.13 C ATOM 534 O LYS A2045 -3.624 8.912 8.059 1.00 30.44 O ATOM 535 CB LYS A2045 -3.689 12.159 8.743 1.00 10.13 C ATOM 536 CG LYS A2045 -5.023 12.892 8.589 1.00 21.32 C ATOM 537 CD LYS A2045 -4.803 14.344 8.162 1.00 44.40 C ATOM 538 CE LYS A2045 -4.733 15.271 9.377 1.00 24.52 C ATOM 539 NZ LYS A2045 -3.932 16.476 9.066 1.00 42.14 N ATOM 0 H LYS A2045 -4.064 12.895 6.418 1.00 24.32 H new ATOM 0 HA LYS A2045 -2.358 11.018 7.578 1.00 43.55 H new ATOM 0 HB2 LYS A2045 -3.699 11.567 9.658 1.00 10.13 H new ATOM 0 HB3 LYS A2045 -2.881 12.884 8.840 1.00 10.13 H new ATOM 0 HG2 LYS A2045 -5.640 12.381 7.850 1.00 21.32 H new ATOM 0 HG3 LYS A2045 -5.568 12.865 9.532 1.00 21.32 H new ATOM 0 HD2 LYS A2045 -3.880 14.422 7.588 1.00 44.40 H new ATOM 0 HD3 LYS A2045 -5.614 14.660 7.506 1.00 44.40 H new ATOM 0 HE2 LYS A2045 -5.739 15.564 9.677 1.00 24.52 H new ATOM 0 HE3 LYS A2045 -4.291 14.741 10.221 1.00 24.52 H new ATOM 0 HZ1 LYS A2045 -3.895 17.094 9.902 1.00 42.14 H new ATOM 0 HZ2 LYS A2045 -2.967 16.193 8.802 1.00 42.14 H new ATOM 0 HZ3 LYS A2045 -4.370 16.990 8.275 1.00 42.14 H new ATOM 552 N GLY A2046 -5.413 9.947 7.139 1.00 4.41 N ATOM 553 CA GLY A2046 -6.241 8.753 7.135 1.00 51.14 C ATOM 554 C GLY A2046 -5.531 7.595 6.432 1.00 62.40 C ATOM 555 O GLY A2046 -5.399 6.511 6.996 1.00 11.04 O ATOM 0 H GLY A2046 -5.865 10.781 6.764 1.00 4.41 H new ATOM 0 HA2 GLY A2046 -6.480 8.469 8.160 1.00 51.14 H new ATOM 0 HA3 GLY A2046 -7.186 8.963 6.633 1.00 51.14 H new ATOM 559 N MET A2047 -5.095 7.865 5.211 1.00 0.11 N ATOM 560 CA MET A2047 -4.401 6.858 4.426 1.00 30.31 C ATOM 561 C MET A2047 -3.111 6.413 5.118 1.00 31.41 C ATOM 562 O MET A2047 -2.810 5.222 5.172 1.00 64.20 O ATOM 563 CB MET A2047 -4.069 7.428 3.045 1.00 1.33 C ATOM 564 CG MET A2047 -3.020 6.569 2.335 1.00 51.44 C ATOM 565 SD MET A2047 -2.268 7.496 1.008 1.00 1.11 S ATOM 566 CE MET A2047 -1.309 8.669 1.953 1.00 3.21 C ATOM 0 H MET A2047 -5.208 8.766 4.746 1.00 0.11 H new ATOM 0 HA MET A2047 -5.053 5.991 4.325 1.00 30.31 H new ATOM 0 HB2 MET A2047 -4.975 7.476 2.440 1.00 1.33 H new ATOM 0 HB3 MET A2047 -3.700 8.448 3.148 1.00 1.33 H new ATOM 0 HG2 MET A2047 -2.257 6.251 3.045 1.00 51.44 H new ATOM 0 HG3 MET A2047 -3.485 5.665 1.941 1.00 51.44 H new ATOM 0 HE1 MET A2047 -1.378 9.653 1.489 1.00 3.21 H new ATOM 0 HE2 MET A2047 -1.696 8.720 2.971 1.00 3.21 H new ATOM 0 HE3 MET A2047 -0.267 8.351 1.977 1.00 3.21 H new ATOM 576 N PHE A2048 -2.385 7.395 5.634 1.00 32.30 N ATOM 577 CA PHE A2048 -1.135 7.119 6.321 1.00 60.14 C ATOM 578 C PHE A2048 -1.369 6.246 7.554 1.00 13.51 C ATOM 579 O PHE A2048 -0.605 5.319 7.818 1.00 51.30 O ATOM 580 CB PHE A2048 -0.563 8.466 6.764 1.00 71.04 C ATOM 581 CG PHE A2048 0.131 9.246 5.647 1.00 44.31 C ATOM 582 CD1 PHE A2048 0.938 8.597 4.763 1.00 60.42 C ATOM 583 CD2 PHE A2048 -0.057 10.590 5.534 1.00 33.33 C ATOM 584 CE1 PHE A2048 1.582 9.322 3.724 1.00 34.22 C ATOM 585 CE2 PHE A2048 0.588 11.313 4.497 1.00 74.45 C ATOM 586 CZ PHE A2048 1.392 10.664 3.615 1.00 0.31 C ATOM 0 H PHE A2048 -2.639 8.382 5.590 1.00 32.30 H new ATOM 0 HA PHE A2048 -0.454 6.587 5.657 1.00 60.14 H new ATOM 0 HB2 PHE A2048 -1.370 9.075 7.171 1.00 71.04 H new ATOM 0 HB3 PHE A2048 0.149 8.298 7.572 1.00 71.04 H new ATOM 0 HD1 PHE A2048 1.089 7.531 4.851 1.00 60.42 H new ATOM 0 HD2 PHE A2048 -0.697 11.106 6.234 1.00 33.33 H new ATOM 0 HE1 PHE A2048 2.221 8.808 3.022 1.00 34.22 H new ATOM 0 HE2 PHE A2048 0.440 12.379 4.409 1.00 74.45 H new ATOM 0 HZ PHE A2048 1.881 11.215 2.826 1.00 0.31 H new ATOM 596 N GLU A2049 -2.429 6.573 8.279 1.00 32.24 N ATOM 597 CA GLU A2049 -2.774 5.830 9.480 1.00 51.24 C ATOM 598 C GLU A2049 -3.408 4.488 9.109 1.00 70.53 C ATOM 599 O GLU A2049 -3.555 3.611 9.959 1.00 11.42 O ATOM 600 CB GLU A2049 -3.701 6.646 10.381 1.00 75.30 C ATOM 601 CG GLU A2049 -5.087 6.795 9.752 1.00 45.12 C ATOM 602 CD GLU A2049 -6.090 7.357 10.760 1.00 33.44 C ATOM 603 OE1 GLU A2049 -5.778 8.322 11.476 1.00 71.41 O ATOM 604 OE2 GLU A2049 -7.232 6.757 10.787 1.00 22.12 O ATOM 0 H GLU A2049 -3.061 7.343 8.058 1.00 32.24 H new ATOM 0 HA GLU A2049 -1.859 5.634 10.040 1.00 51.24 H new ATOM 0 HB2 GLU A2049 -3.789 6.160 11.353 1.00 75.30 H new ATOM 0 HB3 GLU A2049 -3.269 7.632 10.555 1.00 75.30 H new ATOM 0 HG2 GLU A2049 -5.028 7.455 8.886 1.00 45.12 H new ATOM 0 HG3 GLU A2049 -5.433 5.826 9.392 1.00 45.12 H new ATOM 612 N VAL A2050 -3.772 4.371 7.842 1.00 43.11 N ATOM 613 CA VAL A2050 -4.389 3.152 7.348 1.00 74.15 C ATOM 614 C VAL A2050 -3.299 2.134 7.011 1.00 33.33 C ATOM 615 O VAL A2050 -3.415 0.959 7.358 1.00 3.31 O ATOM 616 CB VAL A2050 -5.298 3.469 6.158 1.00 54.20 C ATOM 617 CG1 VAL A2050 -5.619 2.204 5.362 1.00 64.11 C ATOM 618 CG2 VAL A2050 -6.580 4.167 6.619 1.00 3.33 C ATOM 0 H VAL A2050 -3.651 5.102 7.141 1.00 43.11 H new ATOM 0 HA VAL A2050 -5.023 2.708 8.115 1.00 74.15 H new ATOM 0 HB VAL A2050 -4.762 4.152 5.499 1.00 54.20 H new ATOM 0 HG11 VAL A2050 -6.266 2.457 4.522 1.00 64.11 H new ATOM 0 HG12 VAL A2050 -4.694 1.765 4.988 1.00 64.11 H new ATOM 0 HG13 VAL A2050 -6.126 1.487 6.008 1.00 64.11 H new ATOM 0 HG21 VAL A2050 -7.209 4.381 5.755 1.00 3.33 H new ATOM 0 HG22 VAL A2050 -7.120 3.518 7.308 1.00 3.33 H new ATOM 0 HG23 VAL A2050 -6.326 5.100 7.123 1.00 3.33 H new ATOM 628 N LEU A2051 -2.265 2.622 6.342 1.00 41.02 N ATOM 629 CA LEU A2051 -1.153 1.768 5.956 1.00 53.20 C ATOM 630 C LEU A2051 -0.268 1.508 7.176 1.00 10.12 C ATOM 631 O LEU A2051 0.126 0.370 7.430 1.00 73.22 O ATOM 632 CB LEU A2051 -0.402 2.372 4.768 1.00 72.04 C ATOM 633 CG LEU A2051 -1.238 2.648 3.517 1.00 23.41 C ATOM 634 CD1 LEU A2051 -2.722 2.393 3.780 1.00 13.30 C ATOM 635 CD2 LEU A2051 -0.983 4.061 2.987 1.00 22.31 C ATOM 0 H LEU A2051 -2.173 3.597 6.057 1.00 41.02 H new ATOM 0 HA LEU A2051 -1.517 0.799 5.614 1.00 53.20 H new ATOM 0 HB2 LEU A2051 0.054 3.308 5.090 1.00 72.04 H new ATOM 0 HB3 LEU A2051 0.411 1.698 4.497 1.00 72.04 H new ATOM 0 HG LEU A2051 -0.926 1.951 2.739 1.00 23.41 H new ATOM 0 HD11 LEU A2051 -3.292 2.597 2.874 1.00 13.30 H new ATOM 0 HD12 LEU A2051 -2.866 1.353 4.073 1.00 13.30 H new ATOM 0 HD13 LEU A2051 -3.067 3.047 4.581 1.00 13.30 H new ATOM 0 HD21 LEU A2051 -1.590 4.231 2.098 1.00 22.31 H new ATOM 0 HD22 LEU A2051 -1.249 4.790 3.752 1.00 22.31 H new ATOM 0 HD23 LEU A2051 0.071 4.170 2.733 1.00 22.31 H new ATOM 647 N GLU A2052 0.020 2.580 7.898 1.00 70.34 N ATOM 648 CA GLU A2052 0.851 2.482 9.086 1.00 45.14 C ATOM 649 C GLU A2052 0.605 1.151 9.797 1.00 12.32 C ATOM 650 O GLU A2052 1.541 0.388 10.035 1.00 32.50 O ATOM 651 CB GLU A2052 0.604 3.662 10.027 1.00 41.13 C ATOM 652 CG GLU A2052 1.861 4.523 10.169 1.00 2.42 C ATOM 653 CD GLU A2052 2.625 4.171 11.449 1.00 44.14 C ATOM 654 OE1 GLU A2052 2.891 2.988 11.704 1.00 53.40 O ATOM 655 OE2 GLU A2052 2.944 5.179 12.187 1.00 11.33 O ATOM 0 H GLU A2052 -0.307 3.522 7.683 1.00 70.34 H new ATOM 0 HA GLU A2052 1.896 2.519 8.779 1.00 45.14 H new ATOM 0 HB2 GLU A2052 -0.216 4.270 9.646 1.00 41.13 H new ATOM 0 HB3 GLU A2052 0.299 3.293 11.006 1.00 41.13 H new ATOM 0 HG2 GLU A2052 2.507 4.376 9.303 1.00 2.42 H new ATOM 0 HG3 GLU A2052 1.584 5.577 10.184 1.00 2.42 H new ATOM 663 N PRO A2053 -0.691 0.907 10.126 1.00 53.42 N ATOM 664 CA PRO A2053 -1.071 -0.319 10.808 1.00 61.44 C ATOM 665 C PRO A2053 -1.057 -1.508 9.845 1.00 65.42 C ATOM 666 O PRO A2053 -0.456 -2.541 10.138 1.00 20.23 O ATOM 667 CB PRO A2053 -2.452 -0.038 11.382 1.00 60.10 C ATOM 668 CG PRO A2053 -2.986 1.161 10.615 1.00 22.52 C ATOM 669 CD PRO A2053 -1.824 1.788 9.862 1.00 35.51 C ATOM 0 HA PRO A2053 -0.373 -0.594 11.599 1.00 61.44 H new ATOM 0 HB2 PRO A2053 -3.107 -0.901 11.263 1.00 60.10 H new ATOM 0 HB3 PRO A2053 -2.395 0.175 12.450 1.00 60.10 H new ATOM 0 HG2 PRO A2053 -3.768 0.853 9.921 1.00 22.52 H new ATOM 0 HG3 PRO A2053 -3.432 1.883 11.298 1.00 22.52 H new ATOM 0 HD2 PRO A2053 -2.034 1.854 8.794 1.00 35.51 H new ATOM 0 HD3 PRO A2053 -1.627 2.802 10.211 1.00 35.51 H new ATOM 677 N LEU A2054 -1.726 -1.322 8.715 1.00 33.33 N ATOM 678 CA LEU A2054 -1.796 -2.368 7.709 1.00 60.21 C ATOM 679 C LEU A2054 -0.389 -2.901 7.433 1.00 35.55 C ATOM 680 O LEU A2054 -0.135 -4.097 7.572 1.00 34.12 O ATOM 681 CB LEU A2054 -2.516 -1.859 6.458 1.00 74.50 C ATOM 682 CG LEU A2054 -4.043 -1.968 6.471 1.00 34.21 C ATOM 683 CD1 LEU A2054 -4.644 -1.398 5.185 1.00 31.13 C ATOM 684 CD2 LEU A2054 -4.486 -3.410 6.722 1.00 3.10 C ATOM 0 H LEU A2054 -2.223 -0.464 8.475 1.00 33.33 H new ATOM 0 HA LEU A2054 -2.389 -3.207 8.073 1.00 60.21 H new ATOM 0 HB2 LEU A2054 -2.248 -0.813 6.309 1.00 74.50 H new ATOM 0 HB3 LEU A2054 -2.140 -2.411 5.597 1.00 74.50 H new ATOM 0 HG LEU A2054 -4.423 -1.366 7.297 1.00 34.21 H new ATOM 0 HD11 LEU A2054 -5.730 -1.488 5.220 1.00 31.13 H new ATOM 0 HD12 LEU A2054 -4.370 -0.347 5.090 1.00 31.13 H new ATOM 0 HD13 LEU A2054 -4.262 -1.952 4.328 1.00 31.13 H new ATOM 0 HD21 LEU A2054 -5.575 -3.461 6.727 1.00 3.10 H new ATOM 0 HD22 LEU A2054 -4.096 -4.053 5.933 1.00 3.10 H new ATOM 0 HD23 LEU A2054 -4.103 -3.746 7.686 1.00 3.10 H new ATOM 696 N HIS A2055 0.491 -1.988 7.047 1.00 60.44 N ATOM 697 CA HIS A2055 1.865 -2.353 6.751 1.00 55.24 C ATOM 698 C HIS A2055 2.509 -2.977 7.990 1.00 23.24 C ATOM 699 O HIS A2055 3.069 -4.071 7.917 1.00 50.32 O ATOM 700 CB HIS A2055 2.646 -1.145 6.224 1.00 13.13 C ATOM 701 CG HIS A2055 2.345 -0.798 4.788 1.00 24.30 C ATOM 702 ND1 HIS A2055 2.537 0.470 4.266 1.00 21.25 N ATOM 703 CD2 HIS A2055 1.864 -1.567 3.767 1.00 13.41 C ATOM 704 CE1 HIS A2055 2.182 0.453 2.987 1.00 53.52 C ATOM 705 NE2 HIS A2055 1.767 -0.808 2.681 1.00 35.03 N ATOM 0 H HIS A2055 0.279 -0.997 6.933 1.00 60.44 H new ATOM 0 HA HIS A2055 1.883 -3.101 5.958 1.00 55.24 H new ATOM 0 HB2 HIS A2055 2.424 -0.281 6.850 1.00 13.13 H new ATOM 0 HB3 HIS A2055 3.713 -1.344 6.323 1.00 13.13 H new ATOM 0 HD2 HIS A2055 1.606 -2.614 3.831 1.00 13.41 H new ATOM 0 HE1 HIS A2055 2.216 1.292 2.308 1.00 53.52 H new ATOM 0 HE2 HIS A2055 1.436 -1.119 1.768 1.00 35.03 H new ATOM 714 N ALA A2056 2.406 -2.261 9.099 1.00 51.23 N ATOM 715 CA ALA A2056 2.971 -2.733 10.352 1.00 34.44 C ATOM 716 C ALA A2056 2.492 -4.163 10.615 1.00 73.24 C ATOM 717 O ALA A2056 3.291 -5.040 10.938 1.00 24.51 O ATOM 718 CB ALA A2056 2.585 -1.774 11.479 1.00 42.22 C ATOM 0 H ALA A2056 1.939 -1.356 9.157 1.00 51.23 H new ATOM 0 HA ALA A2056 4.060 -2.753 10.299 1.00 34.44 H new ATOM 0 HB1 ALA A2056 3.009 -2.128 12.419 1.00 42.22 H new ATOM 0 HB2 ALA A2056 2.972 -0.779 11.258 1.00 42.22 H new ATOM 0 HB3 ALA A2056 1.499 -1.731 11.564 1.00 42.22 H new ATOM 724 N MET A2057 1.189 -4.354 10.468 1.00 71.03 N ATOM 725 CA MET A2057 0.595 -5.660 10.685 1.00 0.24 C ATOM 726 C MET A2057 1.334 -6.738 9.889 1.00 23.20 C ATOM 727 O MET A2057 1.552 -7.842 10.387 1.00 64.23 O ATOM 728 CB MET A2057 -0.875 -5.632 10.260 1.00 73.41 C ATOM 729 CG MET A2057 -1.120 -6.560 9.069 1.00 73.54 C ATOM 730 SD MET A2057 -2.851 -6.550 8.634 1.00 35.44 S ATOM 731 CE MET A2057 -2.747 -7.074 6.932 1.00 43.44 C ATOM 0 H MET A2057 0.528 -3.624 10.201 1.00 71.03 H new ATOM 0 HA MET A2057 0.671 -5.899 11.746 1.00 0.24 H new ATOM 0 HB2 MET A2057 -1.505 -5.935 11.097 1.00 73.41 H new ATOM 0 HB3 MET A2057 -1.162 -4.614 9.997 1.00 73.41 H new ATOM 0 HG2 MET A2057 -0.521 -6.238 8.217 1.00 73.54 H new ATOM 0 HG3 MET A2057 -0.804 -7.574 9.316 1.00 73.54 H new ATOM 0 HE1 MET A2057 -3.734 -7.377 6.584 1.00 43.44 H new ATOM 0 HE2 MET A2057 -2.384 -6.249 6.319 1.00 43.44 H new ATOM 0 HE3 MET A2057 -2.060 -7.916 6.852 1.00 43.44 H new ATOM 741 N MET A2058 1.699 -6.379 8.667 1.00 33.15 N ATOM 742 CA MET A2058 2.410 -7.303 7.797 1.00 34.25 C ATOM 743 C MET A2058 3.823 -7.570 8.320 1.00 23.03 C ATOM 744 O MET A2058 4.347 -8.672 8.164 1.00 13.31 O ATOM 745 CB MET A2058 2.487 -6.717 6.386 1.00 41.52 C ATOM 746 CG MET A2058 1.090 -6.477 5.813 1.00 53.55 C ATOM 747 SD MET A2058 0.978 -7.164 4.170 1.00 13.33 S ATOM 748 CE MET A2058 -0.750 -7.612 4.140 1.00 5.42 C ATOM 0 H MET A2058 1.516 -5.462 8.258 1.00 33.15 H new ATOM 0 HA MET A2058 1.867 -8.248 7.777 1.00 34.25 H new ATOM 0 HB2 MET A2058 3.041 -5.778 6.408 1.00 41.52 H new ATOM 0 HB3 MET A2058 3.038 -7.397 5.736 1.00 41.52 H new ATOM 0 HG2 MET A2058 0.340 -6.933 6.459 1.00 53.55 H new ATOM 0 HG3 MET A2058 0.878 -5.408 5.784 1.00 53.55 H new ATOM 0 HE1 MET A2058 -0.977 -8.124 3.205 1.00 5.42 H new ATOM 0 HE2 MET A2058 -0.969 -8.274 4.978 1.00 5.42 H new ATOM 0 HE3 MET A2058 -1.361 -6.712 4.219 1.00 5.42 H new ATOM 758 N GLU A2059 4.399 -6.544 8.928 1.00 72.32 N ATOM 759 CA GLU A2059 5.741 -6.654 9.473 1.00 74.31 C ATOM 760 C GLU A2059 5.734 -7.536 10.724 1.00 24.43 C ATOM 761 O GLU A2059 6.358 -8.595 10.743 1.00 43.43 O ATOM 762 CB GLU A2059 6.323 -5.272 9.781 1.00 61.12 C ATOM 763 CG GLU A2059 6.023 -4.288 8.647 1.00 34.45 C ATOM 764 CD GLU A2059 6.117 -4.976 7.284 1.00 54.22 C ATOM 765 OE1 GLU A2059 5.110 -5.065 6.566 1.00 24.11 O ATOM 766 OE2 GLU A2059 7.286 -5.424 6.979 1.00 1.32 O ATOM 0 H GLU A2059 3.961 -5.632 9.055 1.00 72.32 H new ATOM 0 HA GLU A2059 6.379 -7.122 8.724 1.00 74.31 H new ATOM 0 HB2 GLU A2059 5.904 -4.896 10.714 1.00 61.12 H new ATOM 0 HB3 GLU A2059 7.401 -5.350 9.924 1.00 61.12 H new ATOM 0 HG2 GLU A2059 5.025 -3.869 8.779 1.00 34.45 H new ATOM 0 HG3 GLU A2059 6.726 -3.456 8.687 1.00 34.45 H new ATOM 774 N ARG A2060 5.022 -7.066 11.737 1.00 73.31 N ATOM 775 CA ARG A2060 4.926 -7.798 12.989 1.00 22.31 C ATOM 776 C ARG A2060 4.034 -9.030 12.815 1.00 74.43 C ATOM 777 O ARG A2060 4.058 -9.939 13.643 1.00 45.31 O ATOM 778 CB ARG A2060 4.355 -6.917 14.101 1.00 15.53 C ATOM 779 CG ARG A2060 2.912 -6.516 13.797 1.00 54.01 C ATOM 780 CD ARG A2060 2.347 -5.619 14.901 1.00 12.42 C ATOM 781 NE ARG A2060 0.943 -5.991 15.189 1.00 25.15 N ATOM 782 CZ ARG A2060 0.580 -7.015 15.991 1.00 41.31 C ATOM 783 NH1 ARG A2060 1.517 -7.776 16.595 1.00 32.33 N ATOM 784 NH2 ARG A2060 -0.704 -7.258 16.176 1.00 22.22 N ATOM 0 H ARG A2060 4.506 -6.187 11.717 1.00 73.31 H new ATOM 0 HA ARG A2060 5.932 -8.109 13.269 1.00 22.31 H new ATOM 0 HB2 ARG A2060 4.395 -7.452 15.050 1.00 15.53 H new ATOM 0 HB3 ARG A2060 4.969 -6.023 14.213 1.00 15.53 H new ATOM 0 HG2 ARG A2060 2.870 -5.993 12.842 1.00 54.01 H new ATOM 0 HG3 ARG A2060 2.296 -7.410 13.699 1.00 54.01 H new ATOM 0 HD2 ARG A2060 2.950 -5.716 15.804 1.00 12.42 H new ATOM 0 HD3 ARG A2060 2.399 -4.574 14.594 1.00 12.42 H new ATOM 0 HE ARG A2060 0.204 -5.439 14.754 1.00 25.15 H new ATOM 0 HH11 ARG A2060 2.507 -7.579 16.447 1.00 32.33 H new ATOM 0 HH12 ARG A2060 1.235 -8.548 17.199 1.00 32.33 H new ATOM 0 HH21 ARG A2060 -1.405 -6.676 15.716 1.00 22.22 H new ATOM 0 HH22 ARG A2060 -0.996 -8.028 16.779 1.00 22.22 H new ATOM 796 N GLY A2061 3.266 -9.017 11.735 1.00 10.53 N ATOM 797 CA GLY A2061 2.369 -10.122 11.444 1.00 22.12 C ATOM 798 C GLY A2061 2.722 -10.780 10.108 1.00 44.24 C ATOM 799 O GLY A2061 2.041 -10.566 9.105 1.00 15.13 O ATOM 0 H GLY A2061 3.247 -8.260 11.052 1.00 10.53 H new ATOM 0 HA2 GLY A2061 2.426 -10.861 12.243 1.00 22.12 H new ATOM 0 HA3 GLY A2061 1.341 -9.762 11.415 1.00 22.12 H new ATOM 803 N PRO A2062 3.819 -11.586 10.137 1.00 75.34 N ATOM 804 CA PRO A2062 4.271 -12.275 8.941 1.00 51.04 C ATOM 805 C PRO A2062 3.363 -13.462 8.615 1.00 31.12 C ATOM 806 O PRO A2062 2.237 -13.538 9.103 1.00 70.31 O ATOM 807 CB PRO A2062 5.702 -12.688 9.244 1.00 54.43 C ATOM 808 CG PRO A2062 5.842 -12.626 10.756 1.00 4.31 C ATOM 809 CD PRO A2062 4.650 -11.860 11.304 1.00 25.25 C ATOM 0 HA PRO A2062 4.231 -11.646 8.052 1.00 51.04 H new ATOM 0 HB2 PRO A2062 5.905 -13.693 8.874 1.00 54.43 H new ATOM 0 HB3 PRO A2062 6.413 -12.019 8.758 1.00 54.43 H new ATOM 0 HG2 PRO A2062 5.877 -13.631 11.178 1.00 4.31 H new ATOM 0 HG3 PRO A2062 6.773 -12.132 11.033 1.00 4.31 H new ATOM 0 HD2 PRO A2062 4.109 -12.447 12.046 1.00 25.25 H new ATOM 0 HD3 PRO A2062 4.963 -10.937 11.793 1.00 25.25 H new ATOM 817 N GLN A2063 3.886 -14.359 7.792 1.00 51.31 N ATOM 818 CA GLN A2063 3.137 -15.538 7.395 1.00 64.20 C ATOM 819 C GLN A2063 4.085 -16.719 7.173 1.00 62.51 C ATOM 820 O GLN A2063 4.092 -17.670 7.955 1.00 62.52 O ATOM 821 CB GLN A2063 2.303 -15.263 6.143 1.00 71.33 C ATOM 822 CG GLN A2063 1.365 -16.433 5.838 1.00 53.51 C ATOM 823 CD GLN A2063 -0.093 -15.973 5.798 1.00 22.20 C ATOM 824 OE1 GLN A2063 -0.397 -14.801 5.645 1.00 31.23 O ATOM 825 NE2 GLN A2063 -0.975 -16.957 5.945 1.00 61.34 N ATOM 0 H GLN A2063 4.821 -14.292 7.389 1.00 51.31 H new ATOM 0 HA GLN A2063 2.449 -15.795 8.200 1.00 64.20 H new ATOM 0 HB2 GLN A2063 1.720 -14.353 6.283 1.00 71.33 H new ATOM 0 HB3 GLN A2063 2.963 -15.091 5.293 1.00 71.33 H new ATOM 0 HG2 GLN A2063 1.635 -16.880 4.881 1.00 53.51 H new ATOM 0 HG3 GLN A2063 1.485 -17.207 6.596 1.00 53.51 H new ATOM 0 HE21 GLN A2063 -0.652 -17.917 6.069 1.00 61.34 H new ATOM 0 HE22 GLN A2063 -1.974 -16.752 5.934 1.00 61.34 H new ATOM 834 N THR A2064 4.860 -16.621 6.104 1.00 53.24 N ATOM 835 CA THR A2064 5.810 -17.668 5.770 1.00 23.32 C ATOM 836 C THR A2064 6.700 -17.230 4.604 1.00 4.21 C ATOM 837 O THR A2064 6.448 -16.201 3.979 1.00 52.21 O ATOM 838 CB THR A2064 5.020 -18.949 5.483 1.00 53.32 C ATOM 839 OG1 THR A2064 6.007 -19.873 5.037 1.00 12.44 O ATOM 840 CG2 THR A2064 4.080 -18.800 4.285 1.00 21.33 C ATOM 0 H THR A2064 4.850 -15.832 5.457 1.00 53.24 H new ATOM 0 HA THR A2064 6.489 -17.865 6.600 1.00 23.32 H new ATOM 0 HB THR A2064 4.443 -19.225 6.365 1.00 53.32 H new ATOM 0 HG1 THR A2064 5.582 -20.731 4.831 1.00 12.44 H new ATOM 0 HG21 THR A2064 3.544 -19.736 4.124 1.00 21.33 H new ATOM 0 HG22 THR A2064 3.365 -18.001 4.481 1.00 21.33 H new ATOM 0 HG23 THR A2064 4.661 -18.557 3.395 1.00 21.33 H new ATOM 848 N LEU A2065 7.721 -18.035 4.348 1.00 74.04 N ATOM 849 CA LEU A2065 8.650 -17.742 3.269 1.00 41.24 C ATOM 850 C LEU A2065 7.874 -17.596 1.958 1.00 53.41 C ATOM 851 O LEU A2065 8.305 -16.882 1.055 1.00 1.31 O ATOM 852 CB LEU A2065 9.755 -18.798 3.213 1.00 23.33 C ATOM 853 CG LEU A2065 11.036 -18.470 3.982 1.00 41.53 C ATOM 854 CD1 LEU A2065 11.605 -17.116 3.547 1.00 1.21 C ATOM 855 CD2 LEU A2065 10.803 -18.536 5.492 1.00 34.22 C ATOM 0 H LEU A2065 7.925 -18.888 4.868 1.00 74.04 H new ATOM 0 HA LEU A2065 9.155 -16.793 3.449 1.00 41.24 H new ATOM 0 HB2 LEU A2065 9.354 -19.736 3.598 1.00 23.33 H new ATOM 0 HB3 LEU A2065 10.015 -18.968 2.168 1.00 23.33 H new ATOM 0 HG LEU A2065 11.783 -19.226 3.740 1.00 41.53 H new ATOM 0 HD11 LEU A2065 12.515 -16.906 4.109 1.00 1.21 H new ATOM 0 HD12 LEU A2065 11.834 -17.143 2.482 1.00 1.21 H new ATOM 0 HD13 LEU A2065 10.871 -16.334 3.741 1.00 1.21 H new ATOM 0 HD21 LEU A2065 11.730 -18.299 6.014 1.00 34.22 H new ATOM 0 HD22 LEU A2065 10.034 -17.817 5.773 1.00 34.22 H new ATOM 0 HD23 LEU A2065 10.479 -19.540 5.767 1.00 34.22 H new ATOM 867 N LYS A2066 6.741 -18.280 1.900 1.00 43.13 N ATOM 868 CA LYS A2066 5.901 -18.234 0.715 1.00 25.11 C ATOM 869 C LYS A2066 5.298 -16.836 0.576 1.00 43.44 C ATOM 870 O LYS A2066 5.117 -16.342 -0.537 1.00 14.03 O ATOM 871 CB LYS A2066 4.857 -19.352 0.756 1.00 75.33 C ATOM 872 CG LYS A2066 5.499 -20.713 0.480 1.00 33.22 C ATOM 873 CD LYS A2066 5.022 -21.284 -0.857 1.00 53.20 C ATOM 874 CE LYS A2066 5.355 -22.774 -0.967 1.00 3.23 C ATOM 875 NZ LYS A2066 4.849 -23.324 -2.243 1.00 4.42 N ATOM 0 H LYS A2066 6.385 -18.868 2.653 1.00 43.13 H new ATOM 0 HA LYS A2066 6.495 -18.415 -0.180 1.00 25.11 H new ATOM 0 HB2 LYS A2066 4.372 -19.366 1.732 1.00 75.33 H new ATOM 0 HB3 LYS A2066 4.080 -19.156 0.017 1.00 75.33 H new ATOM 0 HG2 LYS A2066 6.584 -20.612 0.470 1.00 33.22 H new ATOM 0 HG3 LYS A2066 5.251 -21.406 1.284 1.00 33.22 H new ATOM 0 HD2 LYS A2066 3.946 -21.140 -0.955 1.00 53.20 H new ATOM 0 HD3 LYS A2066 5.492 -20.741 -1.677 1.00 53.20 H new ATOM 0 HE2 LYS A2066 6.434 -22.917 -0.905 1.00 3.23 H new ATOM 0 HE3 LYS A2066 4.913 -23.314 -0.130 1.00 3.23 H new ATOM 0 HZ1 LYS A2066 5.083 -24.336 -2.302 1.00 4.42 H new ATOM 0 HZ2 LYS A2066 3.817 -23.204 -2.288 1.00 4.42 H new ATOM 0 HZ3 LYS A2066 5.291 -22.820 -3.038 1.00 4.42 H new ATOM 888 N GLU A2067 5.006 -16.235 1.720 1.00 54.21 N ATOM 889 CA GLU A2067 4.429 -14.902 1.740 1.00 75.35 C ATOM 890 C GLU A2067 5.531 -13.845 1.649 1.00 41.35 C ATOM 891 O GLU A2067 5.277 -12.712 1.243 1.00 54.04 O ATOM 892 CB GLU A2067 3.572 -14.695 2.990 1.00 13.24 C ATOM 893 CG GLU A2067 2.640 -13.493 2.823 1.00 55.40 C ATOM 894 CD GLU A2067 1.420 -13.858 1.973 1.00 44.34 C ATOM 895 OE1 GLU A2067 1.576 -14.376 0.858 1.00 44.34 O ATOM 896 OE2 GLU A2067 0.280 -13.584 2.511 1.00 23.04 O ATOM 0 H GLU A2067 5.158 -16.647 2.640 1.00 54.21 H new ATOM 0 HA GLU A2067 3.779 -14.795 0.872 1.00 75.35 H new ATOM 0 HB2 GLU A2067 2.984 -15.592 3.184 1.00 13.24 H new ATOM 0 HB3 GLU A2067 4.216 -14.543 3.856 1.00 13.24 H new ATOM 0 HG2 GLU A2067 2.314 -13.143 3.802 1.00 55.40 H new ATOM 0 HG3 GLU A2067 3.181 -12.671 2.354 1.00 55.40 H new ATOM 904 N THR A2068 6.731 -14.253 2.033 1.00 45.24 N ATOM 905 CA THR A2068 7.873 -13.355 2.000 1.00 71.04 C ATOM 906 C THR A2068 8.039 -12.754 0.603 1.00 33.21 C ATOM 907 O THR A2068 8.256 -11.550 0.463 1.00 72.01 O ATOM 908 CB THR A2068 9.102 -14.134 2.475 1.00 35.34 C ATOM 909 OG1 THR A2068 9.054 -14.024 3.895 1.00 53.53 O ATOM 910 CG2 THR A2068 10.414 -13.448 2.091 1.00 61.41 C ATOM 0 H THR A2068 6.938 -15.194 2.369 1.00 45.24 H new ATOM 0 HA THR A2068 7.728 -12.507 2.670 1.00 71.04 H new ATOM 0 HB THR A2068 9.081 -15.139 2.053 1.00 35.34 H new ATOM 0 HG1 THR A2068 9.814 -14.503 4.286 1.00 53.53 H new ATOM 0 HG21 THR A2068 11.254 -14.042 2.452 1.00 61.41 H new ATOM 0 HG22 THR A2068 10.473 -13.357 1.006 1.00 61.41 H new ATOM 0 HG23 THR A2068 10.451 -12.456 2.541 1.00 61.41 H new ATOM 918 N SER A2069 7.926 -13.618 -0.395 1.00 43.43 N ATOM 919 CA SER A2069 8.061 -13.186 -1.776 1.00 32.24 C ATOM 920 C SER A2069 7.106 -12.022 -2.056 1.00 3.24 C ATOM 921 O SER A2069 7.433 -11.120 -2.827 1.00 2.11 O ATOM 922 CB SER A2069 7.786 -14.340 -2.742 1.00 44.02 C ATOM 923 OG SER A2069 8.973 -14.785 -3.392 1.00 52.44 O ATOM 0 H SER A2069 7.743 -14.614 -0.275 1.00 43.43 H new ATOM 0 HA SER A2069 9.087 -12.852 -1.932 1.00 32.24 H new ATOM 0 HB2 SER A2069 7.338 -15.171 -2.197 1.00 44.02 H new ATOM 0 HB3 SER A2069 7.060 -14.022 -3.490 1.00 44.02 H new ATOM 0 HG SER A2069 8.756 -15.523 -3.999 1.00 52.44 H new ATOM 929 N PHE A2070 5.950 -12.079 -1.415 1.00 30.12 N ATOM 930 CA PHE A2070 4.947 -11.041 -1.584 1.00 4.42 C ATOM 931 C PHE A2070 5.350 -9.765 -0.845 1.00 74.35 C ATOM 932 O PHE A2070 5.384 -8.685 -1.435 1.00 3.15 O ATOM 933 CB PHE A2070 3.645 -11.575 -0.986 1.00 34.41 C ATOM 934 CG PHE A2070 2.401 -11.258 -1.818 1.00 1.44 C ATOM 935 CD1 PHE A2070 2.097 -12.023 -2.903 1.00 63.43 C ATOM 936 CD2 PHE A2070 1.601 -10.214 -1.476 1.00 30.45 C ATOM 937 CE1 PHE A2070 0.943 -11.729 -3.676 1.00 22.12 C ATOM 938 CE2 PHE A2070 0.446 -9.922 -2.251 1.00 71.21 C ATOM 939 CZ PHE A2070 0.142 -10.685 -3.334 1.00 52.03 C ATOM 0 H PHE A2070 5.684 -12.829 -0.776 1.00 30.12 H new ATOM 0 HA PHE A2070 4.838 -10.797 -2.641 1.00 4.42 H new ATOM 0 HB2 PHE A2070 3.727 -12.656 -0.871 1.00 34.41 H new ATOM 0 HB3 PHE A2070 3.518 -11.157 0.013 1.00 34.41 H new ATOM 0 HD1 PHE A2070 2.733 -12.852 -3.175 1.00 63.43 H new ATOM 0 HD2 PHE A2070 1.843 -9.607 -0.616 1.00 30.45 H new ATOM 0 HE1 PHE A2070 0.701 -12.335 -4.536 1.00 22.12 H new ATOM 0 HE2 PHE A2070 -0.191 -9.093 -1.979 1.00 71.21 H new ATOM 0 HZ PHE A2070 -0.736 -10.462 -3.923 1.00 52.03 H new ATOM 949 N ASN A2071 5.645 -9.928 0.437 1.00 34.20 N ATOM 950 CA ASN A2071 6.044 -8.803 1.263 1.00 13.34 C ATOM 951 C ASN A2071 7.323 -8.186 0.694 1.00 42.31 C ATOM 952 O ASN A2071 7.528 -6.977 0.788 1.00 60.24 O ATOM 953 CB ASN A2071 6.331 -9.247 2.700 1.00 5.03 C ATOM 954 CG ASN A2071 5.984 -8.141 3.695 1.00 15.42 C ATOM 955 OD1 ASN A2071 4.924 -7.540 3.652 1.00 14.24 O ATOM 956 ND2 ASN A2071 6.935 -7.904 4.595 1.00 4.44 N ATOM 0 H ASN A2071 5.615 -10.824 0.923 1.00 34.20 H new ATOM 0 HA ASN A2071 5.227 -8.081 1.266 1.00 13.34 H new ATOM 0 HB2 ASN A2071 5.753 -10.142 2.930 1.00 5.03 H new ATOM 0 HB3 ASN A2071 7.383 -9.513 2.799 1.00 5.03 H new ATOM 0 HD21 ASN A2071 6.798 -7.183 5.304 1.00 4.44 H new ATOM 0 HD22 ASN A2071 7.801 -8.443 4.576 1.00 4.44 H new ATOM 963 N GLN A2072 8.150 -9.044 0.118 1.00 11.52 N ATOM 964 CA GLN A2072 9.405 -8.599 -0.467 1.00 52.13 C ATOM 965 C GLN A2072 9.160 -7.996 -1.851 1.00 30.12 C ATOM 966 O GLN A2072 9.773 -6.993 -2.213 1.00 74.41 O ATOM 967 CB GLN A2072 10.414 -9.746 -0.537 1.00 60.32 C ATOM 968 CG GLN A2072 10.449 -10.360 -1.939 1.00 50.03 C ATOM 969 CD GLN A2072 11.375 -11.576 -1.980 1.00 11.44 C ATOM 970 OE1 GLN A2072 12.294 -11.719 -1.191 1.00 33.33 O ATOM 971 NE2 GLN A2072 11.083 -12.445 -2.945 1.00 0.04 N ATOM 0 H GLN A2072 7.977 -10.046 0.043 1.00 11.52 H new ATOM 0 HA GLN A2072 9.829 -7.826 0.174 1.00 52.13 H new ATOM 0 HB2 GLN A2072 11.406 -9.380 -0.272 1.00 60.32 H new ATOM 0 HB3 GLN A2072 10.151 -10.512 0.193 1.00 60.32 H new ATOM 0 HG2 GLN A2072 9.443 -10.654 -2.237 1.00 50.03 H new ATOM 0 HG3 GLN A2072 10.789 -9.615 -2.658 1.00 50.03 H new ATOM 0 HE21 GLN A2072 10.299 -12.266 -3.573 1.00 0.04 H new ATOM 0 HE22 GLN A2072 11.643 -13.290 -3.057 1.00 0.04 H new ATOM 980 N ALA A2073 8.265 -8.634 -2.588 1.00 72.44 N ATOM 981 CA ALA A2073 7.932 -8.174 -3.926 1.00 60.04 C ATOM 982 C ALA A2073 7.612 -6.678 -3.882 1.00 33.54 C ATOM 983 O ALA A2073 7.810 -5.968 -4.865 1.00 70.11 O ATOM 984 CB ALA A2073 6.769 -9.001 -4.477 1.00 70.32 C ATOM 0 H ALA A2073 7.759 -9.466 -2.285 1.00 72.44 H new ATOM 0 HA ALA A2073 8.778 -8.312 -4.599 1.00 60.04 H new ATOM 0 HB1 ALA A2073 6.520 -8.655 -5.480 1.00 70.32 H new ATOM 0 HB2 ALA A2073 7.056 -10.052 -4.516 1.00 70.32 H new ATOM 0 HB3 ALA A2073 5.901 -8.886 -3.828 1.00 70.32 H new ATOM 990 N TYR A2074 7.124 -6.244 -2.730 1.00 33.34 N ATOM 991 CA TYR A2074 6.776 -4.846 -2.543 1.00 13.42 C ATOM 992 C TYR A2074 7.654 -4.200 -1.468 1.00 10.02 C ATOM 993 O TYR A2074 7.822 -2.982 -1.450 1.00 0.23 O ATOM 994 CB TYR A2074 5.321 -4.833 -2.070 1.00 63.35 C ATOM 995 CG TYR A2074 4.336 -5.436 -3.073 1.00 34.04 C ATOM 996 CD1 TYR A2074 4.202 -4.879 -4.329 1.00 23.24 C ATOM 997 CD2 TYR A2074 3.580 -6.537 -2.722 1.00 42.53 C ATOM 998 CE1 TYR A2074 3.274 -5.447 -5.274 1.00 5.50 C ATOM 999 CE2 TYR A2074 2.652 -7.104 -3.667 1.00 3.24 C ATOM 1000 CZ TYR A2074 2.546 -6.532 -4.895 1.00 52.33 C ATOM 1001 OH TYR A2074 1.671 -7.068 -5.786 1.00 32.31 O ATOM 0 H TYR A2074 6.961 -6.836 -1.916 1.00 33.34 H new ATOM 0 HA TYR A2074 6.921 -4.288 -3.468 1.00 13.42 H new ATOM 0 HB2 TYR A2074 5.250 -5.382 -1.131 1.00 63.35 H new ATOM 0 HB3 TYR A2074 5.027 -3.805 -1.861 1.00 63.35 H new ATOM 0 HD1 TYR A2074 4.793 -4.017 -4.603 1.00 23.24 H new ATOM 0 HD2 TYR A2074 3.684 -6.973 -1.739 1.00 42.53 H new ATOM 0 HE1 TYR A2074 3.159 -5.021 -6.260 1.00 5.50 H new ATOM 0 HE2 TYR A2074 2.054 -7.964 -3.405 1.00 3.24 H new ATOM 0 HH TYR A2074 1.401 -7.960 -5.483 1.00 32.31 H new ATOM 1011 N GLY A2075 8.190 -5.046 -0.601 1.00 61.54 N ATOM 1012 CA GLY A2075 9.047 -4.572 0.472 1.00 30.25 C ATOM 1013 C GLY A2075 9.895 -3.384 0.016 1.00 24.01 C ATOM 1014 O GLY A2075 10.190 -2.488 0.803 1.00 25.04 O ATOM 0 H GLY A2075 8.048 -6.056 -0.620 1.00 61.54 H new ATOM 0 HA2 GLY A2075 8.437 -4.280 1.327 1.00 30.25 H new ATOM 0 HA3 GLY A2075 9.698 -5.380 0.806 1.00 30.25 H new ATOM 1018 N ARG A2076 10.263 -3.417 -1.258 1.00 11.30 N ATOM 1019 CA ARG A2076 11.071 -2.353 -1.829 1.00 64.01 C ATOM 1020 C ARG A2076 10.195 -1.148 -2.178 1.00 15.14 C ATOM 1021 O ARG A2076 10.496 -0.022 -1.784 1.00 21.42 O ATOM 1022 CB ARG A2076 11.795 -2.829 -3.091 1.00 61.12 C ATOM 1023 CG ARG A2076 12.520 -1.671 -3.777 1.00 0.11 C ATOM 1024 CD ARG A2076 13.517 -1.007 -2.826 1.00 63.12 C ATOM 1025 NE ARG A2076 14.847 -0.915 -3.468 1.00 61.44 N ATOM 1026 CZ ARG A2076 15.849 -0.127 -3.026 1.00 70.25 C ATOM 1027 NH1 ARG A2076 15.681 0.648 -1.933 1.00 25.44 N ATOM 1028 NH2 ARG A2076 16.997 -0.123 -3.679 1.00 71.30 N ATOM 0 H ARG A2076 10.017 -4.163 -1.909 1.00 11.30 H new ATOM 0 HA ARG A2076 11.812 -2.064 -1.084 1.00 64.01 H new ATOM 0 HB2 ARG A2076 12.511 -3.608 -2.831 1.00 61.12 H new ATOM 0 HB3 ARG A2076 11.077 -3.273 -3.781 1.00 61.12 H new ATOM 0 HG2 ARG A2076 13.043 -2.037 -4.660 1.00 0.11 H new ATOM 0 HG3 ARG A2076 11.793 -0.934 -4.120 1.00 0.11 H new ATOM 0 HD2 ARG A2076 13.166 -0.011 -2.555 1.00 63.12 H new ATOM 0 HD3 ARG A2076 13.589 -1.582 -1.903 1.00 63.12 H new ATOM 0 HE ARG A2076 15.017 -1.484 -4.298 1.00 61.44 H new ATOM 0 HH11 ARG A2076 14.791 0.641 -1.435 1.00 25.44 H new ATOM 0 HH12 ARG A2076 16.444 1.241 -1.606 1.00 25.44 H new ATOM 0 HH21 ARG A2076 17.116 -0.710 -4.505 1.00 71.30 H new ATOM 0 HH22 ARG A2076 17.764 0.467 -3.358 1.00 71.30 H new ATOM 1040 N ASP A2077 9.127 -1.425 -2.910 1.00 23.55 N ATOM 1041 CA ASP A2077 8.204 -0.379 -3.315 1.00 32.30 C ATOM 1042 C ASP A2077 7.664 0.330 -2.071 1.00 31.14 C ATOM 1043 O ASP A2077 7.698 1.555 -1.985 1.00 23.22 O ATOM 1044 CB ASP A2077 7.015 -0.960 -4.084 1.00 44.14 C ATOM 1045 CG ASP A2077 7.385 -1.796 -5.310 1.00 33.43 C ATOM 1046 OD1 ASP A2077 8.120 -2.789 -5.206 1.00 22.24 O ATOM 1047 OD2 ASP A2077 6.874 -1.389 -6.421 1.00 24.23 O ATOM 0 H ASP A2077 8.880 -2.360 -3.234 1.00 23.55 H new ATOM 0 HA ASP A2077 8.744 0.316 -3.958 1.00 32.30 H new ATOM 0 HB2 ASP A2077 6.429 -1.579 -3.404 1.00 44.14 H new ATOM 0 HB3 ASP A2077 6.372 -0.140 -4.403 1.00 44.14 H new ATOM 1053 N LEU A2078 7.176 -0.476 -1.139 1.00 11.44 N ATOM 1054 CA LEU A2078 6.630 0.057 0.097 1.00 75.53 C ATOM 1055 C LEU A2078 7.654 0.992 0.744 1.00 3.03 C ATOM 1056 O LEU A2078 7.287 1.981 1.375 1.00 12.22 O ATOM 1057 CB LEU A2078 6.169 -1.079 1.015 1.00 62.12 C ATOM 1058 CG LEU A2078 5.064 -1.980 0.461 1.00 53.10 C ATOM 1059 CD1 LEU A2078 4.524 -2.915 1.546 1.00 52.40 C ATOM 1060 CD2 LEU A2078 3.952 -1.151 -0.184 1.00 5.12 C ATOM 0 H LEU A2078 7.148 -1.493 -1.215 1.00 11.44 H new ATOM 0 HA LEU A2078 5.740 0.652 -0.108 1.00 75.53 H new ATOM 0 HB2 LEU A2078 7.032 -1.700 1.253 1.00 62.12 H new ATOM 0 HB3 LEU A2078 5.821 -0.644 1.952 1.00 62.12 H new ATOM 0 HG LEU A2078 5.494 -2.606 -0.321 1.00 53.10 H new ATOM 0 HD11 LEU A2078 3.740 -3.545 1.126 1.00 52.40 H new ATOM 0 HD12 LEU A2078 5.332 -3.543 1.920 1.00 52.40 H new ATOM 0 HD13 LEU A2078 4.115 -2.324 2.365 1.00 52.40 H new ATOM 0 HD21 LEU A2078 3.179 -1.816 -0.570 1.00 5.12 H new ATOM 0 HD22 LEU A2078 3.518 -0.483 0.560 1.00 5.12 H new ATOM 0 HD23 LEU A2078 4.365 -0.562 -1.003 1.00 5.12 H new ATOM 1072 N MET A2079 8.921 0.644 0.564 1.00 62.44 N ATOM 1073 CA MET A2079 10.002 1.438 1.120 1.00 52.52 C ATOM 1074 C MET A2079 10.105 2.793 0.417 1.00 64.21 C ATOM 1075 O MET A2079 10.187 3.831 1.071 1.00 2.34 O ATOM 1076 CB MET A2079 11.323 0.682 0.968 1.00 24.02 C ATOM 1077 CG MET A2079 12.111 0.686 2.280 1.00 24.42 C ATOM 1078 SD MET A2079 12.159 -0.961 2.968 1.00 63.20 S ATOM 1079 CE MET A2079 10.733 -0.889 4.043 1.00 44.24 C ATOM 0 H MET A2079 9.222 -0.178 0.040 1.00 62.44 H new ATOM 0 HA MET A2079 9.793 1.612 2.176 1.00 52.52 H new ATOM 0 HB2 MET A2079 11.125 -0.345 0.662 1.00 24.02 H new ATOM 0 HB3 MET A2079 11.920 1.140 0.180 1.00 24.02 H new ATOM 0 HG2 MET A2079 13.125 1.045 2.104 1.00 24.42 H new ATOM 0 HG3 MET A2079 11.649 1.372 2.990 1.00 24.42 H new ATOM 0 HE1 MET A2079 10.615 -1.844 4.555 1.00 44.24 H new ATOM 0 HE2 MET A2079 10.872 -0.097 4.779 1.00 44.24 H new ATOM 0 HE3 MET A2079 9.841 -0.682 3.451 1.00 44.24 H new ATOM 1089 N GLU A2080 10.099 2.738 -0.906 1.00 64.34 N ATOM 1090 CA GLU A2080 10.191 3.948 -1.706 1.00 52.31 C ATOM 1091 C GLU A2080 9.013 4.877 -1.402 1.00 51.32 C ATOM 1092 O GLU A2080 9.210 6.022 -0.998 1.00 14.22 O ATOM 1093 CB GLU A2080 10.255 3.616 -3.198 1.00 3.42 C ATOM 1094 CG GLU A2080 10.406 4.886 -4.037 1.00 53.13 C ATOM 1095 CD GLU A2080 11.139 4.596 -5.348 1.00 14.34 C ATOM 1096 OE1 GLU A2080 10.616 4.894 -6.431 1.00 53.12 O ATOM 1097 OE2 GLU A2080 12.295 4.039 -5.212 1.00 2.24 O ATOM 0 H GLU A2080 10.032 1.875 -1.445 1.00 64.34 H new ATOM 0 HA GLU A2080 11.114 4.464 -1.442 1.00 52.31 H new ATOM 0 HB2 GLU A2080 11.094 2.948 -3.390 1.00 3.42 H new ATOM 0 HB3 GLU A2080 9.351 3.085 -3.495 1.00 3.42 H new ATOM 0 HG2 GLU A2080 9.422 5.303 -4.251 1.00 53.13 H new ATOM 0 HG3 GLU A2080 10.954 5.638 -3.469 1.00 53.13 H new ATOM 1105 N ALA A2081 7.815 4.347 -1.607 1.00 51.44 N ATOM 1106 CA ALA A2081 6.606 5.115 -1.360 1.00 70.21 C ATOM 1107 C ALA A2081 6.650 5.681 0.061 1.00 75.33 C ATOM 1108 O ALA A2081 6.287 6.836 0.283 1.00 43.44 O ATOM 1109 CB ALA A2081 5.382 4.229 -1.595 1.00 3.21 C ATOM 0 H ALA A2081 7.656 3.396 -1.941 1.00 51.44 H new ATOM 0 HA ALA A2081 6.537 5.956 -2.050 1.00 70.21 H new ATOM 0 HB1 ALA A2081 4.475 4.805 -1.410 1.00 3.21 H new ATOM 0 HB2 ALA A2081 5.382 3.874 -2.626 1.00 3.21 H new ATOM 0 HB3 ALA A2081 5.415 3.376 -0.917 1.00 3.21 H new ATOM 1115 N GLN A2082 7.094 4.845 0.987 1.00 4.12 N ATOM 1116 CA GLN A2082 7.190 5.247 2.378 1.00 51.43 C ATOM 1117 C GLN A2082 8.084 6.482 2.513 1.00 51.30 C ATOM 1118 O GLN A2082 7.777 7.394 3.280 1.00 3.23 O ATOM 1119 CB GLN A2082 7.704 4.101 3.248 1.00 11.53 C ATOM 1120 CG GLN A2082 7.804 4.525 4.716 1.00 24.44 C ATOM 1121 CD GLN A2082 6.745 3.815 5.564 1.00 45.41 C ATOM 1122 OE1 GLN A2082 6.946 2.719 6.061 1.00 14.44 O ATOM 1123 NE2 GLN A2082 5.613 4.498 5.698 1.00 52.42 N ATOM 0 H GLN A2082 7.392 3.888 0.800 1.00 4.12 H new ATOM 0 HA GLN A2082 6.191 5.504 2.730 1.00 51.43 H new ATOM 0 HB2 GLN A2082 7.036 3.244 3.158 1.00 11.53 H new ATOM 0 HB3 GLN A2082 8.683 3.780 2.891 1.00 11.53 H new ATOM 0 HG2 GLN A2082 8.798 4.293 5.099 1.00 24.44 H new ATOM 0 HG3 GLN A2082 7.676 5.604 4.796 1.00 24.44 H new ATOM 0 HE21 GLN A2082 5.513 5.411 5.254 1.00 52.42 H new ATOM 0 HE22 GLN A2082 4.844 4.109 6.244 1.00 52.42 H new ATOM 1132 N GLU A2083 9.172 6.471 1.757 1.00 32.12 N ATOM 1133 CA GLU A2083 10.111 7.578 1.782 1.00 41.51 C ATOM 1134 C GLU A2083 9.438 8.859 1.287 1.00 72.23 C ATOM 1135 O GLU A2083 9.690 9.941 1.813 1.00 54.20 O ATOM 1136 CB GLU A2083 11.358 7.258 0.954 1.00 61.41 C ATOM 1137 CG GLU A2083 11.570 8.302 -0.143 1.00 12.22 C ATOM 1138 CD GLU A2083 12.872 8.045 -0.903 1.00 72.32 C ATOM 1139 OE1 GLU A2083 12.939 7.118 -1.724 1.00 32.43 O ATOM 1140 OE2 GLU A2083 13.839 8.847 -0.613 1.00 2.41 O ATOM 0 H GLU A2083 9.424 5.712 1.123 1.00 32.12 H new ATOM 0 HA GLU A2083 10.429 7.735 2.813 1.00 41.51 H new ATOM 0 HB2 GLU A2083 12.232 7.226 1.604 1.00 61.41 H new ATOM 0 HB3 GLU A2083 11.258 6.270 0.506 1.00 61.41 H new ATOM 0 HG2 GLU A2083 10.730 8.281 -0.837 1.00 12.22 H new ATOM 0 HG3 GLU A2083 11.593 9.298 0.298 1.00 12.22 H new ATOM 1148 N TRP A2084 8.594 8.694 0.279 1.00 73.02 N ATOM 1149 CA TRP A2084 7.882 9.824 -0.294 1.00 14.53 C ATOM 1150 C TRP A2084 6.794 10.247 0.694 1.00 20.10 C ATOM 1151 O TRP A2084 6.346 11.392 0.677 1.00 60.22 O ATOM 1152 CB TRP A2084 7.330 9.478 -1.679 1.00 62.33 C ATOM 1153 CG TRP A2084 8.406 9.123 -2.708 1.00 10.21 C ATOM 1154 CD1 TRP A2084 8.769 7.906 -3.135 1.00 34.50 C ATOM 1155 CD2 TRP A2084 9.250 10.049 -3.424 1.00 55.35 C ATOM 1156 NE1 TRP A2084 9.780 7.979 -4.072 1.00 15.13 N ATOM 1157 CE2 TRP A2084 10.082 9.324 -4.253 1.00 33.35 C ATOM 1158 CE3 TRP A2084 9.308 11.452 -3.373 1.00 40.33 C ATOM 1159 CZ2 TRP A2084 11.031 9.917 -5.092 1.00 23.45 C ATOM 1160 CZ3 TRP A2084 10.264 12.029 -4.220 1.00 75.45 C ATOM 1161 CH2 TRP A2084 11.108 11.313 -5.059 1.00 20.31 C ATOM 0 H TRP A2084 8.387 7.795 -0.156 1.00 73.02 H new ATOM 0 HA TRP A2084 8.556 10.666 -0.451 1.00 14.53 H new ATOM 0 HB2 TRP A2084 6.641 8.639 -1.585 1.00 62.33 H new ATOM 0 HB3 TRP A2084 6.752 10.324 -2.050 1.00 62.33 H new ATOM 0 HD1 TRP A2084 8.326 6.984 -2.789 1.00 34.50 H new ATOM 0 HE1 TRP A2084 10.224 7.191 -4.544 1.00 15.13 H new ATOM 0 HE3 TRP A2084 8.667 12.039 -2.732 1.00 40.33 H new ATOM 0 HZ2 TRP A2084 11.671 9.328 -5.732 1.00 23.45 H new ATOM 0 HZ3 TRP A2084 10.350 13.106 -4.220 1.00 75.45 H new ATOM 0 HH2 TRP A2084 11.821 11.832 -5.683 1.00 20.31 H new ATOM 1172 N CYS A2085 6.400 9.300 1.534 1.00 61.31 N ATOM 1173 CA CYS A2085 5.373 9.560 2.529 1.00 45.14 C ATOM 1174 C CYS A2085 5.988 10.408 3.644 1.00 1.24 C ATOM 1175 O CYS A2085 5.529 11.518 3.909 1.00 11.12 O ATOM 1176 CB CYS A2085 4.765 8.265 3.066 1.00 2.45 C ATOM 1177 SG CYS A2085 3.939 7.352 1.712 1.00 52.04 S ATOM 0 H CYS A2085 6.774 8.351 1.546 1.00 61.31 H new ATOM 0 HA CYS A2085 4.549 10.107 2.070 1.00 45.14 H new ATOM 0 HB2 CYS A2085 5.543 7.645 3.511 1.00 2.45 H new ATOM 0 HB3 CYS A2085 4.047 8.490 3.855 1.00 2.45 H new ATOM 0 HG CYS A2085 4.821 7.003 0.823 1.00 52.04 H new ATOM 1183 N ARG A2086 7.019 9.853 4.265 1.00 73.33 N ATOM 1184 CA ARG A2086 7.702 10.544 5.345 1.00 11.32 C ATOM 1185 C ARG A2086 8.337 11.836 4.830 1.00 53.32 C ATOM 1186 O ARG A2086 8.410 12.828 5.556 1.00 44.41 O ATOM 1187 CB ARG A2086 8.788 9.661 5.963 1.00 13.21 C ATOM 1188 CG ARG A2086 9.867 9.316 4.934 1.00 30.25 C ATOM 1189 CD ARG A2086 10.375 7.886 5.132 1.00 70.12 C ATOM 1190 NE ARG A2086 11.770 7.774 4.652 1.00 24.05 N ATOM 1191 CZ ARG A2086 12.511 6.648 4.734 1.00 31.50 C ATOM 1192 NH1 ARG A2086 11.994 5.526 5.278 1.00 24.24 N ATOM 1193 NH2 ARG A2086 13.747 6.661 4.274 1.00 31.42 N ATOM 0 H ARG A2086 7.398 8.933 4.041 1.00 73.33 H new ATOM 0 HA ARG A2086 6.962 10.779 6.110 1.00 11.32 H new ATOM 0 HB2 ARG A2086 9.240 10.175 6.811 1.00 13.21 H new ATOM 0 HB3 ARG A2086 8.341 8.744 6.348 1.00 13.21 H new ATOM 0 HG2 ARG A2086 9.464 9.427 3.927 1.00 30.25 H new ATOM 0 HG3 ARG A2086 10.697 10.017 5.023 1.00 30.25 H new ATOM 0 HD2 ARG A2086 10.322 7.615 6.186 1.00 70.12 H new ATOM 0 HD3 ARG A2086 9.738 7.187 4.590 1.00 70.12 H new ATOM 0 HE ARG A2086 12.199 8.599 4.233 1.00 24.05 H new ATOM 0 HH11 ARG A2086 11.037 5.525 5.631 1.00 24.24 H new ATOM 0 HH12 ARG A2086 12.560 4.680 5.336 1.00 24.24 H new ATOM 0 HH21 ARG A2086 14.130 7.513 3.864 1.00 31.42 H new ATOM 0 HH22 ARG A2086 14.320 5.819 4.328 1.00 31.42 H new ATOM 1205 N LYS A2087 8.781 11.784 3.583 1.00 51.23 N ATOM 1206 CA LYS A2087 9.408 12.941 2.964 1.00 31.54 C ATOM 1207 C LYS A2087 8.368 14.048 2.791 1.00 14.13 C ATOM 1208 O LYS A2087 8.655 15.217 3.042 1.00 54.04 O ATOM 1209 CB LYS A2087 10.100 12.538 1.659 1.00 14.52 C ATOM 1210 CG LYS A2087 10.597 13.770 0.899 1.00 3.41 C ATOM 1211 CD LYS A2087 9.698 14.073 -0.301 1.00 61.11 C ATOM 1212 CE LYS A2087 10.470 13.924 -1.615 1.00 32.32 C ATOM 1213 NZ LYS A2087 11.331 15.103 -1.846 1.00 2.00 N ATOM 0 H LYS A2087 8.720 10.960 2.985 1.00 51.23 H new ATOM 0 HA LYS A2087 10.193 13.339 3.607 1.00 31.54 H new ATOM 0 HB2 LYS A2087 10.939 11.878 1.877 1.00 14.52 H new ATOM 0 HB3 LYS A2087 9.406 11.976 1.034 1.00 14.52 H new ATOM 0 HG2 LYS A2087 10.619 14.630 1.568 1.00 3.41 H new ATOM 0 HG3 LYS A2087 11.619 13.604 0.559 1.00 3.41 H new ATOM 0 HD2 LYS A2087 8.842 13.398 -0.299 1.00 61.11 H new ATOM 0 HD3 LYS A2087 9.305 15.086 -0.219 1.00 61.11 H new ATOM 0 HE2 LYS A2087 11.080 13.021 -1.585 1.00 32.32 H new ATOM 0 HE3 LYS A2087 9.771 13.809 -2.443 1.00 32.32 H new ATOM 0 HZ1 LYS A2087 11.847 14.986 -2.741 1.00 2.00 H new ATOM 0 HZ2 LYS A2087 10.742 15.959 -1.896 1.00 2.00 H new ATOM 0 HZ3 LYS A2087 12.010 15.195 -1.064 1.00 2.00 H new ATOM 1226 N TYR A2088 7.182 13.642 2.364 1.00 41.20 N ATOM 1227 CA TYR A2088 6.097 14.586 2.156 1.00 65.15 C ATOM 1228 C TYR A2088 5.551 15.097 3.490 1.00 32.54 C ATOM 1229 O TYR A2088 5.225 16.275 3.623 1.00 25.22 O ATOM 1230 CB TYR A2088 4.997 13.811 1.428 1.00 1.12 C ATOM 1231 CG TYR A2088 3.588 14.359 1.666 1.00 42.43 C ATOM 1232 CD1 TYR A2088 2.893 14.007 2.806 1.00 5.45 C ATOM 1233 CD2 TYR A2088 3.014 15.206 0.741 1.00 33.20 C ATOM 1234 CE1 TYR A2088 1.568 14.522 3.030 1.00 41.32 C ATOM 1235 CE2 TYR A2088 1.687 15.724 0.966 1.00 23.33 C ATOM 1236 CZ TYR A2088 1.030 15.355 2.098 1.00 63.15 C ATOM 1237 OH TYR A2088 -0.221 15.844 2.309 1.00 61.20 O ATOM 0 H TYR A2088 6.948 12.671 2.156 1.00 41.20 H new ATOM 0 HA TYR A2088 6.443 15.450 1.589 1.00 65.15 H new ATOM 0 HB2 TYR A2088 5.205 13.824 0.358 1.00 1.12 H new ATOM 0 HB3 TYR A2088 5.029 12.769 1.746 1.00 1.12 H new ATOM 0 HD1 TYR A2088 3.344 13.345 3.530 1.00 5.45 H new ATOM 0 HD2 TYR A2088 3.558 15.481 -0.151 1.00 33.20 H new ATOM 0 HE1 TYR A2088 1.014 14.254 3.917 1.00 41.32 H new ATOM 0 HE2 TYR A2088 1.226 16.390 0.252 1.00 23.33 H new ATOM 0 HH TYR A2088 -0.475 16.426 1.562 1.00 61.20 H new ATOM 1247 N MET A2089 5.464 14.181 4.446 1.00 74.12 N ATOM 1248 CA MET A2089 4.962 14.523 5.766 1.00 64.43 C ATOM 1249 C MET A2089 5.836 15.592 6.425 1.00 62.11 C ATOM 1250 O MET A2089 5.324 16.521 7.048 1.00 21.02 O ATOM 1251 CB MET A2089 4.937 13.270 6.644 1.00 24.24 C ATOM 1252 CG MET A2089 3.739 12.382 6.297 1.00 42.13 C ATOM 1253 SD MET A2089 3.205 11.487 7.744 1.00 43.22 S ATOM 1254 CE MET A2089 1.438 11.709 7.612 1.00 23.14 C ATOM 0 H MET A2089 5.733 13.204 4.332 1.00 74.12 H new ATOM 0 HA MET A2089 3.953 14.921 5.658 1.00 64.43 H new ATOM 0 HB2 MET A2089 5.862 12.709 6.510 1.00 24.24 H new ATOM 0 HB3 MET A2089 4.889 13.558 7.694 1.00 24.24 H new ATOM 0 HG2 MET A2089 2.921 12.993 5.915 1.00 42.13 H new ATOM 0 HG3 MET A2089 4.011 11.683 5.506 1.00 42.13 H new ATOM 0 HE1 MET A2089 1.090 12.348 8.424 1.00 23.14 H new ATOM 0 HE2 MET A2089 1.200 12.175 6.656 1.00 23.14 H new ATOM 0 HE3 MET A2089 0.944 10.740 7.676 1.00 23.14 H new ATOM 1264 N LYS A2090 7.140 15.424 6.265 1.00 4.12 N ATOM 1265 CA LYS A2090 8.092 16.362 6.837 1.00 65.24 C ATOM 1266 C LYS A2090 8.278 17.541 5.880 1.00 23.21 C ATOM 1267 O LYS A2090 8.211 18.698 6.293 1.00 73.20 O ATOM 1268 CB LYS A2090 9.396 15.650 7.197 1.00 35.02 C ATOM 1269 CG LYS A2090 9.697 15.780 8.692 1.00 31.02 C ATOM 1270 CD LYS A2090 10.252 17.165 9.022 1.00 42.25 C ATOM 1271 CE LYS A2090 9.687 17.684 10.345 1.00 72.20 C ATOM 1272 NZ LYS A2090 8.719 18.777 10.103 1.00 12.44 N ATOM 0 H LYS A2090 7.560 14.652 5.747 1.00 4.12 H new ATOM 0 HA LYS A2090 7.710 16.769 7.773 1.00 65.24 H new ATOM 0 HB2 LYS A2090 9.326 14.596 6.927 1.00 35.02 H new ATOM 0 HB3 LYS A2090 10.217 16.073 6.619 1.00 35.02 H new ATOM 0 HG2 LYS A2090 8.788 15.603 9.266 1.00 31.02 H new ATOM 0 HG3 LYS A2090 10.416 15.016 8.989 1.00 31.02 H new ATOM 0 HD2 LYS A2090 11.340 17.120 9.080 1.00 42.25 H new ATOM 0 HD3 LYS A2090 10.004 17.860 8.220 1.00 42.25 H new ATOM 0 HE2 LYS A2090 9.199 16.871 10.883 1.00 72.20 H new ATOM 0 HE3 LYS A2090 10.499 18.043 10.978 1.00 72.20 H new ATOM 0 HZ1 LYS A2090 8.345 19.117 11.012 1.00 12.44 H new ATOM 0 HZ2 LYS A2090 9.195 19.559 9.609 1.00 12.44 H new ATOM 0 HZ3 LYS A2090 7.936 18.424 9.517 1.00 12.44 H new ATOM 1285 N SER A2091 8.508 17.207 4.617 1.00 15.32 N ATOM 1286 CA SER A2091 8.705 18.224 3.598 1.00 10.11 C ATOM 1287 C SER A2091 7.374 18.908 3.278 1.00 34.10 C ATOM 1288 O SER A2091 7.171 20.070 3.626 1.00 0.32 O ATOM 1289 CB SER A2091 9.310 17.620 2.330 1.00 53.33 C ATOM 1290 OG SER A2091 9.871 18.618 1.480 1.00 31.30 O ATOM 0 H SER A2091 8.562 16.247 4.277 1.00 15.32 H new ATOM 0 HA SER A2091 9.404 18.966 3.984 1.00 10.11 H new ATOM 0 HB2 SER A2091 10.082 16.901 2.603 1.00 53.33 H new ATOM 0 HB3 SER A2091 8.541 17.071 1.787 1.00 53.33 H new ATOM 0 HG SER A2091 10.249 18.193 0.682 1.00 31.30 H new ATOM 1296 N GLY A2092 6.504 18.158 2.618 1.00 35.24 N ATOM 1297 CA GLY A2092 5.199 18.677 2.248 1.00 20.22 C ATOM 1298 C GLY A2092 5.159 19.052 0.764 1.00 14.44 C ATOM 1299 O GLY A2092 5.515 20.168 0.393 1.00 20.22 O ATOM 0 H GLY A2092 6.678 17.195 2.330 1.00 35.24 H new ATOM 0 HA2 GLY A2092 4.433 17.930 2.459 1.00 20.22 H new ATOM 0 HA3 GLY A2092 4.966 19.552 2.854 1.00 20.22 H new ATOM 1303 N ASN A2093 4.722 18.094 -0.044 1.00 15.15 N ATOM 1304 CA ASN A2093 4.633 18.309 -1.476 1.00 75.52 C ATOM 1305 C ASN A2093 3.745 17.227 -2.095 1.00 31.24 C ATOM 1306 O ASN A2093 4.149 16.067 -2.187 1.00 21.10 O ATOM 1307 CB ASN A2093 6.010 18.224 -2.135 1.00 11.41 C ATOM 1308 CG ASN A2093 6.289 19.464 -2.987 1.00 41.51 C ATOM 1309 OD1 ASN A2093 5.513 20.405 -3.033 1.00 51.03 O ATOM 1310 ND2 ASN A2093 7.436 19.413 -3.657 1.00 1.42 N ATOM 0 H ASN A2093 4.427 17.169 0.268 1.00 15.15 H new ATOM 0 HA ASN A2093 4.216 19.303 -1.641 1.00 75.52 H new ATOM 0 HB2 ASN A2093 6.778 18.125 -1.368 1.00 11.41 H new ATOM 0 HB3 ASN A2093 6.064 17.331 -2.758 1.00 11.41 H new ATOM 0 HD21 ASN A2093 7.713 20.192 -4.254 1.00 1.42 H new ATOM 0 HD22 ASN A2093 8.039 18.595 -3.574 1.00 1.42 H new ATOM 1317 N VAL A2094 2.555 17.642 -2.504 1.00 14.40 N ATOM 1318 CA VAL A2094 1.610 16.721 -3.109 1.00 31.11 C ATOM 1319 C VAL A2094 2.330 15.876 -4.163 1.00 31.21 C ATOM 1320 O VAL A2094 2.071 14.680 -4.286 1.00 32.31 O ATOM 1321 CB VAL A2094 0.418 17.496 -3.679 1.00 34.25 C ATOM 1322 CG1 VAL A2094 -0.293 16.687 -4.764 1.00 32.54 C ATOM 1323 CG2 VAL A2094 -0.555 17.895 -2.567 1.00 51.20 C ATOM 0 H VAL A2094 2.224 18.604 -2.428 1.00 14.40 H new ATOM 0 HA VAL A2094 1.211 16.037 -2.360 1.00 31.11 H new ATOM 0 HB VAL A2094 0.798 18.409 -4.137 1.00 34.25 H new ATOM 0 HG11 VAL A2094 -1.135 17.260 -5.152 1.00 32.54 H new ATOM 0 HG12 VAL A2094 0.404 16.473 -5.574 1.00 32.54 H new ATOM 0 HG13 VAL A2094 -0.656 15.750 -4.341 1.00 32.54 H new ATOM 0 HG21 VAL A2094 -1.393 18.444 -2.996 1.00 51.20 H new ATOM 0 HG22 VAL A2094 -0.925 16.999 -2.069 1.00 51.20 H new ATOM 0 HG23 VAL A2094 -0.041 18.526 -1.843 1.00 51.20 H new ATOM 1333 N LYS A2095 3.219 16.531 -4.893 1.00 41.40 N ATOM 1334 CA LYS A2095 3.980 15.855 -5.931 1.00 71.51 C ATOM 1335 C LYS A2095 4.578 14.567 -5.362 1.00 54.03 C ATOM 1336 O LYS A2095 4.488 13.508 -5.983 1.00 54.44 O ATOM 1337 CB LYS A2095 5.019 16.799 -6.537 1.00 60.53 C ATOM 1338 CG LYS A2095 5.504 16.283 -7.892 1.00 42.34 C ATOM 1339 CD LYS A2095 6.930 16.761 -8.181 1.00 21.54 C ATOM 1340 CE LYS A2095 7.660 15.777 -9.097 1.00 43.31 C ATOM 1341 NZ LYS A2095 7.479 16.157 -10.516 1.00 71.13 N ATOM 0 H LYS A2095 3.430 17.523 -4.787 1.00 41.40 H new ATOM 0 HA LYS A2095 3.327 15.568 -6.755 1.00 71.51 H new ATOM 0 HB2 LYS A2095 4.587 17.793 -6.656 1.00 60.53 H new ATOM 0 HB3 LYS A2095 5.865 16.898 -5.858 1.00 60.53 H new ATOM 0 HG2 LYS A2095 5.472 15.194 -7.903 1.00 42.34 H new ATOM 0 HG3 LYS A2095 4.834 16.630 -8.679 1.00 42.34 H new ATOM 0 HD2 LYS A2095 6.900 17.745 -8.648 1.00 21.54 H new ATOM 0 HD3 LYS A2095 7.479 16.869 -7.245 1.00 21.54 H new ATOM 0 HE2 LYS A2095 8.722 15.762 -8.851 1.00 43.31 H new ATOM 0 HE3 LYS A2095 7.280 14.768 -8.933 1.00 43.31 H new ATOM 0 HZ1 LYS A2095 7.981 15.479 -11.124 1.00 71.13 H new ATOM 0 HZ2 LYS A2095 6.466 16.149 -10.751 1.00 71.13 H new ATOM 0 HZ3 LYS A2095 7.863 17.111 -10.672 1.00 71.13 H new ATOM 1354 N ASP A2096 5.175 14.699 -4.187 1.00 33.54 N ATOM 1355 CA ASP A2096 5.787 13.558 -3.526 1.00 2.12 C ATOM 1356 C ASP A2096 4.696 12.576 -3.096 1.00 2.12 C ATOM 1357 O ASP A2096 4.919 11.367 -3.075 1.00 11.24 O ATOM 1358 CB ASP A2096 6.552 13.992 -2.273 1.00 70.10 C ATOM 1359 CG ASP A2096 7.605 15.077 -2.502 1.00 52.15 C ATOM 1360 OD1 ASP A2096 7.763 15.998 -1.686 1.00 23.21 O ATOM 1361 OD2 ASP A2096 8.293 14.950 -3.587 1.00 23.41 O ATOM 0 H ASP A2096 5.248 15.578 -3.675 1.00 33.54 H new ATOM 0 HA ASP A2096 6.479 13.093 -4.229 1.00 2.12 H new ATOM 0 HB2 ASP A2096 5.836 14.352 -1.535 1.00 70.10 H new ATOM 0 HB3 ASP A2096 7.041 13.118 -1.843 1.00 70.10 H new ATOM 1367 N LEU A2097 3.540 13.132 -2.767 1.00 54.13 N ATOM 1368 CA LEU A2097 2.413 12.319 -2.341 1.00 55.23 C ATOM 1369 C LEU A2097 1.886 11.520 -3.533 1.00 71.30 C ATOM 1370 O LEU A2097 1.656 10.316 -3.426 1.00 52.05 O ATOM 1371 CB LEU A2097 1.351 13.190 -1.665 1.00 1.34 C ATOM 1372 CG LEU A2097 0.573 12.531 -0.522 1.00 1.30 C ATOM 1373 CD1 LEU A2097 -0.532 13.455 -0.010 1.00 12.40 C ATOM 1374 CD2 LEU A2097 0.030 11.164 -0.944 1.00 50.35 C ATOM 0 H LEU A2097 3.359 14.136 -2.787 1.00 54.13 H new ATOM 0 HA LEU A2097 2.727 11.596 -1.588 1.00 55.23 H new ATOM 0 HB2 LEU A2097 1.836 14.086 -1.279 1.00 1.34 H new ATOM 0 HB3 LEU A2097 0.639 13.515 -2.423 1.00 1.34 H new ATOM 0 HG LEU A2097 1.260 12.361 0.307 1.00 1.30 H new ATOM 0 HD11 LEU A2097 -1.070 12.964 0.801 1.00 12.40 H new ATOM 0 HD12 LEU A2097 -0.091 14.382 0.356 1.00 12.40 H new ATOM 0 HD13 LEU A2097 -1.225 13.678 -0.822 1.00 12.40 H new ATOM 0 HD21 LEU A2097 -0.518 10.718 -0.114 1.00 50.35 H new ATOM 0 HD22 LEU A2097 -0.638 11.285 -1.797 1.00 50.35 H new ATOM 0 HD23 LEU A2097 0.859 10.513 -1.222 1.00 50.35 H new ATOM 1386 N THR A2098 1.706 12.222 -4.643 1.00 23.23 N ATOM 1387 CA THR A2098 1.210 11.592 -5.855 1.00 61.21 C ATOM 1388 C THR A2098 2.157 10.477 -6.302 1.00 41.42 C ATOM 1389 O THR A2098 1.711 9.425 -6.760 1.00 72.41 O ATOM 1390 CB THR A2098 1.015 12.684 -6.908 1.00 65.14 C ATOM 1391 OG1 THR A2098 -0.190 13.334 -6.517 1.00 41.15 O ATOM 1392 CG2 THR A2098 0.698 12.113 -8.291 1.00 73.01 C ATOM 0 H THR A2098 1.895 13.221 -4.728 1.00 23.23 H new ATOM 0 HA THR A2098 0.248 11.109 -5.686 1.00 61.21 H new ATOM 0 HB THR A2098 1.915 13.297 -6.965 1.00 65.14 H new ATOM 0 HG1 THR A2098 -0.390 14.058 -7.146 1.00 41.15 H new ATOM 0 HG21 THR A2098 0.569 12.930 -9.001 1.00 73.01 H new ATOM 0 HG22 THR A2098 1.519 11.474 -8.618 1.00 73.01 H new ATOM 0 HG23 THR A2098 -0.220 11.527 -8.241 1.00 73.01 H new ATOM 1400 N GLN A2099 3.447 10.746 -6.158 1.00 24.32 N ATOM 1401 CA GLN A2099 4.460 9.778 -6.544 1.00 33.21 C ATOM 1402 C GLN A2099 4.361 8.530 -5.664 1.00 4.34 C ATOM 1403 O GLN A2099 4.388 7.408 -6.169 1.00 0.01 O ATOM 1404 CB GLN A2099 5.860 10.391 -6.470 1.00 2.31 C ATOM 1405 CG GLN A2099 6.594 10.242 -7.804 1.00 2.12 C ATOM 1406 CD GLN A2099 7.758 11.230 -7.903 1.00 52.24 C ATOM 1407 OE1 GLN A2099 7.620 12.418 -7.660 1.00 30.22 O ATOM 1408 NE2 GLN A2099 8.909 10.676 -8.272 1.00 20.02 N ATOM 0 H GLN A2099 3.813 11.620 -5.780 1.00 24.32 H new ATOM 0 HA GLN A2099 4.282 9.486 -7.579 1.00 33.21 H new ATOM 0 HB2 GLN A2099 5.786 11.446 -6.208 1.00 2.31 H new ATOM 0 HB3 GLN A2099 6.432 9.906 -5.680 1.00 2.31 H new ATOM 0 HG2 GLN A2099 6.968 9.223 -7.906 1.00 2.12 H new ATOM 0 HG3 GLN A2099 5.899 10.410 -8.626 1.00 2.12 H new ATOM 0 HE21 GLN A2099 8.956 9.675 -8.460 1.00 20.02 H new ATOM 0 HE22 GLN A2099 9.745 11.252 -8.367 1.00 20.02 H new ATOM 1417 N ALA A2100 4.252 8.766 -4.366 1.00 10.02 N ATOM 1418 CA ALA A2100 4.150 7.674 -3.412 1.00 3.12 C ATOM 1419 C ALA A2100 2.854 6.902 -3.665 1.00 13.13 C ATOM 1420 O ALA A2100 2.847 5.672 -3.644 1.00 73.41 O ATOM 1421 CB ALA A2100 4.230 8.230 -1.989 1.00 43.44 C ATOM 0 H ALA A2100 4.232 9.698 -3.951 1.00 10.02 H new ATOM 0 HA ALA A2100 4.979 6.977 -3.536 1.00 3.12 H new ATOM 0 HB1 ALA A2100 4.153 7.411 -1.274 1.00 43.44 H new ATOM 0 HB2 ALA A2100 5.182 8.744 -1.852 1.00 43.44 H new ATOM 0 HB3 ALA A2100 3.412 8.932 -1.826 1.00 43.44 H new ATOM 1427 N TRP A2101 1.789 7.655 -3.897 1.00 13.02 N ATOM 1428 CA TRP A2101 0.490 7.056 -4.153 1.00 4.03 C ATOM 1429 C TRP A2101 0.605 6.198 -5.413 1.00 44.52 C ATOM 1430 O TRP A2101 -0.032 5.151 -5.517 1.00 11.23 O ATOM 1431 CB TRP A2101 -0.596 8.128 -4.257 1.00 52.13 C ATOM 1432 CG TRP A2101 -1.686 8.015 -3.188 1.00 42.22 C ATOM 1433 CD1 TRP A2101 -2.053 8.933 -2.283 1.00 31.11 C ATOM 1434 CD2 TRP A2101 -2.541 6.877 -2.949 1.00 33.31 C ATOM 1435 NE1 TRP A2101 -3.078 8.473 -1.482 1.00 4.22 N ATOM 1436 CE2 TRP A2101 -3.384 7.183 -1.900 1.00 5.43 C ATOM 1437 CE3 TRP A2101 -2.601 5.631 -3.600 1.00 54.04 C ATOM 1438 CZ2 TRP A2101 -4.347 6.292 -1.407 1.00 61.15 C ATOM 1439 CZ3 TRP A2101 -3.569 4.755 -3.095 1.00 10.05 C ATOM 1440 CH2 TRP A2101 -4.424 5.047 -2.040 1.00 32.24 C ATOM 0 H TRP A2101 1.799 8.675 -3.913 1.00 13.02 H new ATOM 0 HA TRP A2101 0.190 6.416 -3.323 1.00 4.03 H new ATOM 0 HB2 TRP A2101 -0.130 9.111 -4.184 1.00 52.13 H new ATOM 0 HB3 TRP A2101 -1.059 8.067 -5.242 1.00 52.13 H new ATOM 0 HD1 TRP A2101 -1.603 9.910 -2.192 1.00 31.11 H new ATOM 0 HE1 TRP A2101 -3.528 8.985 -0.723 1.00 4.22 H new ATOM 0 HE3 TRP A2101 -1.952 5.371 -4.423 1.00 54.04 H new ATOM 0 HZ2 TRP A2101 -4.995 6.553 -0.583 1.00 61.15 H new ATOM 0 HZ3 TRP A2101 -3.657 3.783 -3.558 1.00 10.05 H new ATOM 0 HH2 TRP A2101 -5.146 4.315 -1.709 1.00 32.24 H new ATOM 1451 N ASP A2102 1.423 6.674 -6.342 1.00 2.02 N ATOM 1452 CA ASP A2102 1.631 5.963 -7.591 1.00 32.41 C ATOM 1453 C ASP A2102 2.300 4.616 -7.304 1.00 54.45 C ATOM 1454 O ASP A2102 1.867 3.582 -7.810 1.00 33.03 O ATOM 1455 CB ASP A2102 2.544 6.753 -8.529 1.00 21.42 C ATOM 1456 CG ASP A2102 1.899 7.182 -9.850 1.00 21.14 C ATOM 1457 OD1 ASP A2102 0.765 7.684 -9.873 1.00 22.25 O ATOM 1458 OD2 ASP A2102 2.621 6.981 -10.901 1.00 14.04 O ATOM 0 H ASP A2102 1.949 7.543 -6.254 1.00 2.02 H new ATOM 0 HA ASP A2102 0.659 5.825 -8.065 1.00 32.41 H new ATOM 0 HB2 ASP A2102 2.894 7.644 -8.007 1.00 21.42 H new ATOM 0 HB3 ASP A2102 3.423 6.148 -8.751 1.00 21.42 H new ATOM 1464 N LEU A2103 3.344 4.674 -6.492 1.00 5.23 N ATOM 1465 CA LEU A2103 4.079 3.473 -6.130 1.00 14.11 C ATOM 1466 C LEU A2103 3.115 2.459 -5.510 1.00 34.42 C ATOM 1467 O LEU A2103 3.042 1.314 -5.955 1.00 61.20 O ATOM 1468 CB LEU A2103 5.266 3.821 -5.230 1.00 43.40 C ATOM 1469 CG LEU A2103 6.566 4.188 -5.949 1.00 73.34 C ATOM 1470 CD1 LEU A2103 6.605 5.681 -6.282 1.00 11.21 C ATOM 1471 CD2 LEU A2103 7.785 3.752 -5.133 1.00 43.01 C ATOM 0 H LEU A2103 3.699 5.534 -6.074 1.00 5.23 H new ATOM 0 HA LEU A2103 4.508 3.007 -7.017 1.00 14.11 H new ATOM 0 HB2 LEU A2103 4.979 4.656 -4.590 1.00 43.40 H new ATOM 0 HB3 LEU A2103 5.463 2.971 -4.576 1.00 43.40 H new ATOM 0 HG LEU A2103 6.599 3.646 -6.894 1.00 73.34 H new ATOM 0 HD11 LEU A2103 7.539 5.916 -6.792 1.00 11.21 H new ATOM 0 HD12 LEU A2103 5.765 5.931 -6.930 1.00 11.21 H new ATOM 0 HD13 LEU A2103 6.539 6.261 -5.361 1.00 11.21 H new ATOM 0 HD21 LEU A2103 8.696 4.024 -5.666 1.00 43.01 H new ATOM 0 HD22 LEU A2103 7.770 4.249 -4.163 1.00 43.01 H new ATOM 0 HD23 LEU A2103 7.759 2.672 -4.988 1.00 43.01 H new ATOM 1483 N TYR A2104 2.397 2.916 -4.494 1.00 2.41 N ATOM 1484 CA TYR A2104 1.440 2.063 -3.810 1.00 52.11 C ATOM 1485 C TYR A2104 0.402 1.509 -4.788 1.00 41.51 C ATOM 1486 O TYR A2104 0.147 0.306 -4.812 1.00 15.42 O ATOM 1487 CB TYR A2104 0.736 2.957 -2.787 1.00 33.41 C ATOM 1488 CG TYR A2104 1.525 3.164 -1.492 1.00 22.31 C ATOM 1489 CD1 TYR A2104 2.218 2.111 -0.930 1.00 40.01 C ATOM 1490 CD2 TYR A2104 1.543 4.405 -0.888 1.00 0.24 C ATOM 1491 CE1 TYR A2104 2.960 2.307 0.287 1.00 11.21 C ATOM 1492 CE2 TYR A2104 2.287 4.598 0.331 1.00 62.11 C ATOM 1493 CZ TYR A2104 2.959 3.539 0.858 1.00 44.34 C ATOM 1494 OH TYR A2104 3.660 3.725 2.009 1.00 1.43 O ATOM 0 H TYR A2104 2.459 3.866 -4.128 1.00 2.41 H new ATOM 0 HA TYR A2104 1.943 1.214 -3.347 1.00 52.11 H new ATOM 0 HB2 TYR A2104 0.543 3.929 -3.241 1.00 33.41 H new ATOM 0 HB3 TYR A2104 -0.233 2.520 -2.544 1.00 33.41 H new ATOM 0 HD1 TYR A2104 2.203 1.140 -1.403 1.00 40.01 H new ATOM 0 HD2 TYR A2104 1.001 5.229 -1.328 1.00 0.24 H new ATOM 0 HE1 TYR A2104 3.506 1.491 0.737 1.00 11.21 H new ATOM 0 HE2 TYR A2104 2.311 5.563 0.816 1.00 62.11 H new ATOM 0 HH TYR A2104 3.850 4.679 2.126 1.00 1.43 H new ATOM 1504 N TYR A2105 -0.169 2.413 -5.569 1.00 61.14 N ATOM 1505 CA TYR A2105 -1.174 2.030 -6.546 1.00 10.35 C ATOM 1506 C TYR A2105 -0.706 0.831 -7.372 1.00 25.34 C ATOM 1507 O TYR A2105 -1.443 -0.140 -7.537 1.00 13.10 O ATOM 1508 CB TYR A2105 -1.346 3.237 -7.470 1.00 33.12 C ATOM 1509 CG TYR A2105 -2.589 3.168 -8.360 1.00 64.23 C ATOM 1510 CD1 TYR A2105 -3.396 2.050 -8.331 1.00 41.14 C ATOM 1511 CD2 TYR A2105 -2.902 4.224 -9.190 1.00 73.43 C ATOM 1512 CE1 TYR A2105 -4.566 1.986 -9.168 1.00 22.42 C ATOM 1513 CE2 TYR A2105 -4.072 4.160 -10.027 1.00 12.14 C ATOM 1514 CZ TYR A2105 -4.846 3.044 -9.974 1.00 25.33 C ATOM 1515 OH TYR A2105 -5.952 2.983 -10.765 1.00 52.43 O ATOM 0 H TYR A2105 0.045 3.410 -5.545 1.00 61.14 H new ATOM 0 HA TYR A2105 -2.103 1.748 -6.051 1.00 10.35 H new ATOM 0 HB2 TYR A2105 -1.396 4.141 -6.864 1.00 33.12 H new ATOM 0 HB3 TYR A2105 -0.463 3.326 -8.103 1.00 33.12 H new ATOM 0 HD1 TYR A2105 -3.151 1.223 -7.681 1.00 41.14 H new ATOM 0 HD2 TYR A2105 -2.269 5.099 -9.212 1.00 73.43 H new ATOM 0 HE1 TYR A2105 -5.207 1.117 -9.156 1.00 22.42 H new ATOM 0 HE2 TYR A2105 -4.329 4.980 -10.682 1.00 12.14 H new ATOM 0 HH TYR A2105 -6.027 3.809 -11.286 1.00 52.43 H new ATOM 1525 N HIS A2106 0.516 0.938 -7.872 1.00 53.51 N ATOM 1526 CA HIS A2106 1.092 -0.125 -8.677 1.00 24.24 C ATOM 1527 C HIS A2106 1.173 -1.409 -7.849 1.00 4.34 C ATOM 1528 O HIS A2106 0.871 -2.493 -8.344 1.00 65.32 O ATOM 1529 CB HIS A2106 2.446 0.299 -9.250 1.00 70.31 C ATOM 1530 CG HIS A2106 2.490 0.340 -10.758 1.00 72.42 C ATOM 1531 ND1 HIS A2106 1.472 0.882 -11.523 1.00 73.31 N ATOM 1532 CD2 HIS A2106 3.436 -0.100 -11.635 1.00 43.52 C ATOM 1533 CE1 HIS A2106 1.802 0.768 -12.801 1.00 73.02 C ATOM 1534 NE2 HIS A2106 3.020 0.159 -12.870 1.00 54.40 N ATOM 0 H HIS A2106 1.124 1.746 -7.735 1.00 53.51 H new ATOM 0 HA HIS A2106 0.449 -0.327 -9.534 1.00 24.24 H new ATOM 0 HB2 HIS A2106 2.700 1.286 -8.863 1.00 70.31 H new ATOM 0 HB3 HIS A2106 3.212 -0.390 -8.893 1.00 70.31 H new ATOM 0 HD2 HIS A2106 4.367 -0.579 -11.371 1.00 43.52 H new ATOM 0 HE1 HIS A2106 1.210 1.099 -13.641 1.00 73.02 H new ATOM 0 HE2 HIS A2106 3.527 -0.061 -13.727 1.00 54.40 H new ATOM 1543 N VAL A2107 1.587 -1.244 -6.600 1.00 25.31 N ATOM 1544 CA VAL A2107 1.714 -2.377 -5.699 1.00 73.03 C ATOM 1545 C VAL A2107 0.332 -2.986 -5.456 1.00 74.03 C ATOM 1546 O VAL A2107 0.114 -4.168 -5.716 1.00 23.12 O ATOM 1547 CB VAL A2107 2.412 -1.944 -4.410 1.00 32.15 C ATOM 1548 CG1 VAL A2107 2.072 -2.891 -3.257 1.00 4.31 C ATOM 1549 CG2 VAL A2107 3.925 -1.845 -4.612 1.00 3.43 C ATOM 0 H VAL A2107 1.838 -0.344 -6.192 1.00 25.31 H new ATOM 0 HA VAL A2107 2.337 -3.152 -6.145 1.00 73.03 H new ATOM 0 HB VAL A2107 2.044 -0.952 -4.147 1.00 32.15 H new ATOM 0 HG11 VAL A2107 2.582 -2.560 -2.352 1.00 4.31 H new ATOM 0 HG12 VAL A2107 0.995 -2.888 -3.089 1.00 4.31 H new ATOM 0 HG13 VAL A2107 2.397 -3.901 -3.508 1.00 4.31 H new ATOM 0 HG21 VAL A2107 4.397 -1.535 -3.680 1.00 3.43 H new ATOM 0 HG22 VAL A2107 4.316 -2.817 -4.911 1.00 3.43 H new ATOM 0 HG23 VAL A2107 4.141 -1.112 -5.389 1.00 3.43 H new ATOM 1559 N PHE A2108 -0.569 -2.151 -4.956 1.00 42.53 N ATOM 1560 CA PHE A2108 -1.923 -2.592 -4.674 1.00 72.34 C ATOM 1561 C PHE A2108 -2.646 -3.000 -5.959 1.00 61.32 C ATOM 1562 O PHE A2108 -3.545 -3.840 -5.929 1.00 71.31 O ATOM 1563 CB PHE A2108 -2.658 -1.405 -4.046 1.00 12.23 C ATOM 1564 CG PHE A2108 -2.356 -1.202 -2.560 1.00 60.11 C ATOM 1565 CD1 PHE A2108 -1.125 -0.773 -2.169 1.00 21.33 C ATOM 1566 CD2 PHE A2108 -3.317 -1.449 -1.631 1.00 1.25 C ATOM 1567 CE1 PHE A2108 -0.845 -0.585 -0.790 1.00 3.13 C ATOM 1568 CE2 PHE A2108 -3.035 -1.260 -0.251 1.00 73.34 C ATOM 1569 CZ PHE A2108 -1.805 -0.832 0.140 1.00 40.21 C ATOM 0 H PHE A2108 -0.386 -1.171 -4.739 1.00 42.53 H new ATOM 0 HA PHE A2108 -1.902 -3.456 -4.010 1.00 72.34 H new ATOM 0 HB2 PHE A2108 -2.391 -0.498 -4.588 1.00 12.23 H new ATOM 0 HB3 PHE A2108 -3.731 -1.547 -4.172 1.00 12.23 H new ATOM 0 HD1 PHE A2108 -0.362 -0.576 -2.907 1.00 21.33 H new ATOM 0 HD2 PHE A2108 -4.294 -1.789 -1.941 1.00 1.25 H new ATOM 0 HE1 PHE A2108 0.132 -0.245 -0.479 1.00 3.13 H new ATOM 0 HE2 PHE A2108 -3.798 -1.456 0.488 1.00 73.34 H new ATOM 0 HZ PHE A2108 -1.591 -0.688 1.189 1.00 40.21 H new ATOM 1579 N ARG A2109 -2.227 -2.389 -7.057 1.00 44.51 N ATOM 1580 CA ARG A2109 -2.823 -2.679 -8.350 1.00 14.25 C ATOM 1581 C ARG A2109 -2.355 -4.045 -8.856 1.00 44.23 C ATOM 1582 O ARG A2109 -3.094 -4.740 -9.549 1.00 33.33 O ATOM 1583 CB ARG A2109 -2.455 -1.607 -9.378 1.00 64.31 C ATOM 1584 CG ARG A2109 -3.016 -1.957 -10.757 1.00 63.24 C ATOM 1585 CD ARG A2109 -2.003 -1.641 -11.859 1.00 32.15 C ATOM 1586 NE ARG A2109 -2.660 -1.697 -13.184 1.00 70.14 N ATOM 1587 CZ ARG A2109 -2.000 -1.628 -14.360 1.00 32.44 C ATOM 1588 NH1 ARG A2109 -0.656 -1.502 -14.384 1.00 24.52 N ATOM 1589 NH2 ARG A2109 -2.689 -1.688 -15.484 1.00 41.25 N ATOM 0 H ARG A2109 -1.481 -1.694 -7.078 1.00 44.51 H new ATOM 0 HA ARG A2109 -3.905 -2.687 -8.223 1.00 14.25 H new ATOM 0 HB2 ARG A2109 -2.845 -0.641 -9.057 1.00 64.31 H new ATOM 0 HB3 ARG A2109 -1.371 -1.510 -9.436 1.00 64.31 H new ATOM 0 HG2 ARG A2109 -3.276 -3.015 -10.790 1.00 63.24 H new ATOM 0 HG3 ARG A2109 -3.935 -1.398 -10.932 1.00 63.24 H new ATOM 0 HD2 ARG A2109 -1.575 -0.651 -11.698 1.00 32.15 H new ATOM 0 HD3 ARG A2109 -1.179 -2.354 -11.822 1.00 32.15 H new ATOM 0 HE ARG A2109 -3.675 -1.794 -13.211 1.00 70.14 H new ATOM 0 HH11 ARG A2109 -0.132 -1.458 -13.510 1.00 24.52 H new ATOM 0 HH12 ARG A2109 -0.164 -1.451 -15.276 1.00 24.52 H new ATOM 0 HH21 ARG A2109 -3.704 -1.785 -15.455 1.00 41.25 H new ATOM 0 HH22 ARG A2109 -2.207 -1.637 -16.381 1.00 41.25 H new ATOM 1601 N ARG A2110 -1.128 -4.386 -8.489 1.00 24.11 N ATOM 1602 CA ARG A2110 -0.552 -5.657 -8.897 1.00 54.32 C ATOM 1603 C ARG A2110 -1.235 -6.810 -8.159 1.00 42.23 C ATOM 1604 O ARG A2110 -1.688 -7.768 -8.783 1.00 31.02 O ATOM 1605 CB ARG A2110 0.951 -5.697 -8.611 1.00 33.13 C ATOM 1606 CG ARG A2110 1.755 -5.702 -9.913 1.00 11.20 C ATOM 1607 CD ARG A2110 1.912 -7.124 -10.455 1.00 73.54 C ATOM 1608 NE ARG A2110 2.368 -7.080 -11.862 1.00 64.30 N ATOM 1609 CZ ARG A2110 3.621 -6.755 -12.242 1.00 64.11 C ATOM 1610 NH1 ARG A2110 4.557 -6.442 -11.321 1.00 31.45 N ATOM 1611 NH2 ARG A2110 3.920 -6.749 -13.528 1.00 11.44 N ATOM 0 H ARG A2110 -0.517 -3.805 -7.914 1.00 24.11 H new ATOM 0 HA ARG A2110 -0.710 -5.764 -9.970 1.00 54.32 H new ATOM 0 HB2 ARG A2110 1.233 -4.834 -8.008 1.00 33.13 H new ATOM 0 HB3 ARG A2110 1.191 -6.586 -8.028 1.00 33.13 H new ATOM 0 HG2 ARG A2110 1.256 -5.079 -10.655 1.00 11.20 H new ATOM 0 HG3 ARG A2110 2.738 -5.265 -9.739 1.00 11.20 H new ATOM 0 HD2 ARG A2110 2.630 -7.676 -9.848 1.00 73.54 H new ATOM 0 HD3 ARG A2110 0.962 -7.655 -10.388 1.00 73.54 H new ATOM 0 HE ARG A2110 1.692 -7.310 -12.591 1.00 64.30 H new ATOM 0 HH11 ARG A2110 4.319 -6.450 -10.329 1.00 31.45 H new ATOM 0 HH12 ARG A2110 5.502 -6.197 -11.617 1.00 31.45 H new ATOM 0 HH21 ARG A2110 3.208 -6.988 -14.218 1.00 11.44 H new ATOM 0 HH22 ARG A2110 4.863 -6.505 -13.831 1.00 11.44 H new ATOM 1623 N ILE A2111 -1.286 -6.680 -6.841 1.00 64.21 N ATOM 1624 CA ILE A2111 -1.906 -7.700 -6.013 1.00 11.24 C ATOM 1625 C ILE A2111 -3.241 -8.117 -6.637 1.00 72.35 C ATOM 1626 O ILE A2111 -3.659 -9.266 -6.505 1.00 71.13 O ATOM 1627 CB ILE A2111 -2.028 -7.216 -4.568 1.00 22.11 C ATOM 1628 CG1 ILE A2111 -2.656 -5.824 -4.507 1.00 74.44 C ATOM 1629 CG2 ILE A2111 -0.673 -7.266 -3.858 1.00 42.50 C ATOM 1630 CD1 ILE A2111 -2.852 -5.372 -3.059 1.00 53.33 C ATOM 0 H ILE A2111 -0.908 -5.884 -6.327 1.00 64.21 H new ATOM 0 HA ILE A2111 -1.280 -8.591 -5.975 1.00 11.24 H new ATOM 0 HB ILE A2111 -2.696 -7.893 -4.036 1.00 22.11 H new ATOM 0 HG12 ILE A2111 -2.019 -5.111 -5.031 1.00 74.44 H new ATOM 0 HG13 ILE A2111 -3.617 -5.832 -5.022 1.00 74.44 H new ATOM 0 HG21 ILE A2111 -0.787 -6.917 -2.832 1.00 42.50 H new ATOM 0 HG22 ILE A2111 -0.302 -8.291 -3.853 1.00 42.50 H new ATOM 0 HG23 ILE A2111 0.036 -6.626 -4.382 1.00 42.50 H new ATOM 0 HD11 ILE A2111 -3.300 -4.379 -3.045 1.00 53.33 H new ATOM 0 HD12 ILE A2111 -3.509 -6.074 -2.545 1.00 53.33 H new ATOM 0 HD13 ILE A2111 -1.887 -5.341 -2.554 1.00 53.33 H new ATOM 1642 N SER A2112 -3.871 -7.159 -7.301 1.00 12.00 N ATOM 1643 CA SER A2112 -5.149 -7.411 -7.944 1.00 50.44 C ATOM 1644 C SER A2112 -4.925 -7.973 -9.350 1.00 75.11 C ATOM 1645 O SER A2112 -5.483 -9.010 -9.704 1.00 41.22 O ATOM 1646 CB SER A2112 -5.993 -6.136 -8.010 1.00 31.02 C ATOM 1647 OG SER A2112 -5.245 -5.025 -8.496 1.00 14.01 O ATOM 0 H SER A2112 -3.520 -6.207 -7.407 1.00 12.00 H new ATOM 0 HA SER A2112 -5.693 -8.144 -7.349 1.00 50.44 H new ATOM 0 HB2 SER A2112 -6.854 -6.304 -8.657 1.00 31.02 H new ATOM 0 HB3 SER A2112 -6.380 -5.906 -7.017 1.00 31.02 H new ATOM 0 HG SER A2112 -4.392 -5.340 -8.862 1.00 14.01 H new ATOM 1653 N LYS A2113 -4.108 -7.261 -10.114 1.00 51.11 N ATOM 1654 CA LYS A2113 -3.805 -7.676 -11.473 1.00 71.43 C ATOM 1655 C LYS A2113 -3.624 -9.194 -11.510 1.00 21.14 C ATOM 1656 O LYS A2113 -2.956 -9.765 -10.648 1.00 70.41 O ATOM 1657 CB LYS A2113 -2.602 -6.900 -12.013 1.00 11.43 C ATOM 1658 CG LYS A2113 -2.998 -6.041 -13.217 1.00 32.22 C ATOM 1659 CD LYS A2113 -2.623 -6.731 -14.529 1.00 10.42 C ATOM 1660 CE LYS A2113 -3.872 -7.133 -15.315 1.00 54.33 C ATOM 1661 NZ LYS A2113 -4.245 -6.070 -16.276 1.00 12.30 N ATOM 0 H LYS A2113 -3.647 -6.401 -9.818 1.00 51.11 H new ATOM 0 HA LYS A2113 -4.635 -7.438 -12.138 1.00 71.43 H new ATOM 0 HB2 LYS A2113 -2.192 -6.265 -11.228 1.00 11.43 H new ATOM 0 HB3 LYS A2113 -1.815 -7.597 -12.302 1.00 11.43 H new ATOM 0 HG2 LYS A2113 -4.071 -5.851 -13.196 1.00 32.22 H new ATOM 0 HG3 LYS A2113 -2.502 -5.073 -13.156 1.00 32.22 H new ATOM 0 HD2 LYS A2113 -2.009 -6.063 -15.133 1.00 10.42 H new ATOM 0 HD3 LYS A2113 -2.021 -7.615 -14.320 1.00 10.42 H new ATOM 0 HE2 LYS A2113 -3.688 -8.066 -15.849 1.00 54.33 H new ATOM 0 HE3 LYS A2113 -4.698 -7.316 -14.628 1.00 54.33 H new ATOM 0 HZ1 LYS A2113 -5.095 -6.359 -16.801 1.00 12.30 H new ATOM 0 HZ2 LYS A2113 -4.440 -5.188 -15.760 1.00 12.30 H new ATOM 0 HZ3 LYS A2113 -3.462 -5.915 -16.943 1.00 12.30 H new