USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 831 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: A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A2099 GLN : amide:sc= -0.576 K(o=-0.58,f=-0.03) USER MOD Set 2.1: A2026 MET CE :methyl -113:sc= -5.88! (180deg=-8.27!) USER MOD Set 2.2: A2057 MET CE :methyl 172:sc= -3.4! (180deg=-0.00572) USER MOD Set 2.3: A2058 MET CE :methyl 151:sc= -19.7! (180deg=-16.9!) USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -0.814 X(o=-0.81,f=-0.39) USER MOD Single : A2028 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A2035 SER OG : rot -99:sc= 0.956 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.6) USER MOD Single : A2045 LYS NZ :NH3+ -162:sc= -0.0108 (180deg=-0.244) USER MOD Single : A2047 MET CE :methyl -110:sc= -0.997 (180deg=-2.79!) USER MOD Single : A2055 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-4.3!) USER MOD Single : A2063 GLN : amide:sc= -4.76! C(o=-4.8!,f=-4.1!) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 87:sc= 0.0408 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.32) USER MOD Single : A2072 GLN : amide:sc= -0.093 K(o=-0.093,f=-0.91) USER MOD Single : A2074 TYR OH : rot 180:sc= 0 USER MOD Single : A2079 MET CE :methyl -146:sc= -0.0643 (180deg=-0.535) USER MOD Single : A2082 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2085 CYS SG : rot 99:sc= -1.23! USER MOD Single : A2087 LYS NZ :NH3+ 169:sc= 0.285 (180deg=0.255) USER MOD Single : A2088 TYR OH : rot 50:sc= -2.52! USER MOD Single : A2089 MET CE :methyl -113:sc= -3.94! (180deg=-9.3!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.3!) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2112 SER OG : rot 180:sc= 0 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -4.940 -19.190 -10.159 1.00 12.35 N ATOM 2 CA MET A2014 -5.181 -20.604 -9.919 1.00 74.23 C ATOM 3 C MET A2014 -6.609 -20.838 -9.421 1.00 22.31 C ATOM 4 O MET A2014 -7.339 -21.653 -9.983 1.00 21.05 O ATOM 5 CB MET A2014 -4.187 -21.122 -8.880 1.00 34.22 C ATOM 6 CG MET A2014 -3.702 -22.529 -9.238 1.00 60.34 C ATOM 7 SD MET A2014 -2.063 -22.448 -9.944 1.00 35.31 S ATOM 8 CE MET A2014 -2.398 -23.077 -11.580 1.00 60.51 C ATOM 0 HA MET A2014 -5.050 -21.141 -10.858 1.00 74.23 H new ATOM 0 HB2 MET A2014 -3.335 -20.445 -8.817 1.00 34.22 H new ATOM 0 HB3 MET A2014 -4.657 -21.135 -7.897 1.00 34.22 H new ATOM 0 HG2 MET A2014 -3.693 -23.157 -8.347 1.00 60.34 H new ATOM 0 HG3 MET A2014 -4.390 -22.991 -9.946 1.00 60.34 H new ATOM 0 HE1 MET A2014 -1.475 -23.094 -12.159 1.00 60.51 H new ATOM 0 HE2 MET A2014 -2.799 -24.088 -11.506 1.00 60.51 H new ATOM 0 HE3 MET A2014 -3.125 -22.434 -12.075 1.00 60.51 H new ATOM 18 N GLU A2015 -6.965 -20.109 -8.373 1.00 1.31 N ATOM 19 CA GLU A2015 -8.290 -20.230 -7.794 1.00 72.34 C ATOM 20 C GLU A2015 -9.242 -19.212 -8.429 1.00 41.33 C ATOM 21 O GLU A2015 -10.429 -19.485 -8.596 1.00 14.41 O ATOM 22 CB GLU A2015 -8.243 -20.060 -6.274 1.00 54.32 C ATOM 23 CG GLU A2015 -8.715 -21.331 -5.565 1.00 70.22 C ATOM 24 CD GLU A2015 -10.225 -21.517 -5.721 1.00 41.14 C ATOM 25 OE1 GLU A2015 -11.001 -20.615 -5.369 1.00 62.04 O ATOM 26 OE2 GLU A2015 -10.586 -22.646 -6.231 1.00 71.34 O ATOM 0 H GLU A2015 -6.358 -19.432 -7.911 1.00 1.31 H new ATOM 0 HA GLU A2015 -8.666 -21.232 -8.003 1.00 72.34 H new ATOM 0 HB2 GLU A2015 -7.226 -19.822 -5.962 1.00 54.32 H new ATOM 0 HB3 GLU A2015 -8.872 -19.220 -5.979 1.00 54.32 H new ATOM 0 HG2 GLU A2015 -8.194 -22.196 -5.976 1.00 70.22 H new ATOM 0 HG3 GLU A2015 -8.459 -21.278 -4.507 1.00 70.22 H new ATOM 34 N LEU A2016 -8.683 -18.059 -8.767 1.00 54.23 N ATOM 35 CA LEU A2016 -9.465 -16.999 -9.380 1.00 62.02 C ATOM 36 C LEU A2016 -8.632 -15.716 -9.426 1.00 74.32 C ATOM 37 O LEU A2016 -7.440 -15.735 -9.124 1.00 24.10 O ATOM 38 CB LEU A2016 -10.806 -16.837 -8.660 1.00 33.33 C ATOM 39 CG LEU A2016 -12.052 -17.167 -9.482 1.00 44.13 C ATOM 40 CD1 LEU A2016 -12.919 -18.207 -8.770 1.00 62.52 C ATOM 41 CD2 LEU A2016 -12.840 -15.898 -9.819 1.00 54.32 C ATOM 0 H LEU A2016 -7.697 -17.836 -8.628 1.00 54.23 H new ATOM 0 HA LEU A2016 -9.712 -17.255 -10.410 1.00 62.02 H new ATOM 0 HB2 LEU A2016 -10.800 -17.473 -7.775 1.00 33.33 H new ATOM 0 HB3 LEU A2016 -10.887 -15.807 -8.312 1.00 33.33 H new ATOM 0 HG LEU A2016 -11.731 -17.607 -10.426 1.00 44.13 H new ATOM 0 HD11 LEU A2016 -13.799 -18.424 -9.376 1.00 62.52 H new ATOM 0 HD12 LEU A2016 -12.344 -19.122 -8.624 1.00 62.52 H new ATOM 0 HD13 LEU A2016 -13.233 -17.818 -7.801 1.00 62.52 H new ATOM 0 HD21 LEU A2016 -13.721 -16.161 -10.404 1.00 54.32 H new ATOM 0 HD22 LEU A2016 -13.150 -15.407 -8.897 1.00 54.32 H new ATOM 0 HD23 LEU A2016 -12.210 -15.221 -10.396 1.00 54.32 H new ATOM 53 N ILE A2017 -9.293 -14.632 -9.804 1.00 33.10 N ATOM 54 CA ILE A2017 -8.630 -13.343 -9.893 1.00 1.44 C ATOM 55 C ILE A2017 -7.788 -13.121 -8.634 1.00 52.41 C ATOM 56 O ILE A2017 -6.600 -12.820 -8.722 1.00 53.21 O ATOM 57 CB ILE A2017 -9.647 -12.233 -10.157 1.00 12.40 C ATOM 58 CG1 ILE A2017 -9.802 -11.976 -11.658 1.00 0.41 C ATOM 59 CG2 ILE A2017 -9.281 -10.959 -9.392 1.00 54.23 C ATOM 60 CD1 ILE A2017 -11.212 -12.330 -12.133 1.00 53.31 C ATOM 0 H ILE A2017 -10.282 -14.620 -10.052 1.00 33.10 H new ATOM 0 HA ILE A2017 -7.947 -13.323 -10.742 1.00 1.44 H new ATOM 0 HB ILE A2017 -10.617 -12.564 -9.785 1.00 12.40 H new ATOM 0 HG12 ILE A2017 -9.594 -10.928 -11.874 1.00 0.41 H new ATOM 0 HG13 ILE A2017 -9.070 -12.567 -12.209 1.00 0.41 H new ATOM 0 HG21 ILE A2017 -10.021 -10.186 -9.598 1.00 54.23 H new ATOM 0 HG22 ILE A2017 -9.264 -11.169 -8.323 1.00 54.23 H new ATOM 0 HG23 ILE A2017 -8.297 -10.614 -9.710 1.00 54.23 H new ATOM 0 HD11 ILE A2017 -11.295 -12.138 -13.203 1.00 53.31 H new ATOM 0 HD12 ILE A2017 -11.408 -13.384 -11.938 1.00 53.31 H new ATOM 0 HD13 ILE A2017 -11.940 -11.720 -11.598 1.00 53.31 H new ATOM 72 N ARG A2018 -8.440 -13.276 -7.491 1.00 15.03 N ATOM 73 CA ARG A2018 -7.767 -13.096 -6.216 1.00 72.04 C ATOM 74 C ARG A2018 -8.597 -13.708 -5.086 1.00 21.10 C ATOM 75 O ARG A2018 -9.643 -14.308 -5.334 1.00 15.33 O ATOM 76 CB ARG A2018 -7.534 -11.613 -5.920 1.00 53.31 C ATOM 77 CG ARG A2018 -8.863 -10.871 -5.753 1.00 13.44 C ATOM 78 CD ARG A2018 -9.311 -10.877 -4.289 1.00 11.44 C ATOM 79 NE ARG A2018 -10.388 -9.883 -4.087 1.00 71.35 N ATOM 80 CZ ARG A2018 -10.201 -8.546 -4.125 1.00 22.35 C ATOM 81 NH1 ARG A2018 -8.975 -8.033 -4.359 1.00 4.23 N ATOM 82 NH2 ARG A2018 -11.235 -7.749 -3.929 1.00 45.30 N ATOM 0 H ARG A2018 -9.427 -13.524 -7.421 1.00 15.03 H new ATOM 0 HA ARG A2018 -6.802 -13.599 -6.278 1.00 72.04 H new ATOM 0 HB2 ARG A2018 -6.939 -11.509 -5.013 1.00 53.31 H new ATOM 0 HB3 ARG A2018 -6.961 -11.162 -6.731 1.00 53.31 H new ATOM 0 HG2 ARG A2018 -8.757 -9.843 -6.101 1.00 13.44 H new ATOM 0 HG3 ARG A2018 -9.627 -11.340 -6.373 1.00 13.44 H new ATOM 0 HD2 ARG A2018 -9.664 -11.870 -4.012 1.00 11.44 H new ATOM 0 HD3 ARG A2018 -8.466 -10.647 -3.640 1.00 11.44 H new ATOM 0 HE ARG A2018 -11.331 -10.229 -3.908 1.00 71.35 H new ATOM 0 HH11 ARG A2018 -8.181 -8.656 -4.509 1.00 4.23 H new ATOM 0 HH12 ARG A2018 -8.842 -7.022 -4.386 1.00 4.23 H new ATOM 0 HH21 ARG A2018 -12.158 -8.145 -3.752 1.00 45.30 H new ATOM 0 HH22 ARG A2018 -11.111 -6.737 -3.954 1.00 45.30 H new ATOM 94 N VAL A2019 -8.102 -13.537 -3.869 1.00 42.40 N ATOM 95 CA VAL A2019 -8.785 -14.065 -2.701 1.00 62.11 C ATOM 96 C VAL A2019 -9.321 -12.905 -1.860 1.00 50.12 C ATOM 97 O VAL A2019 -8.572 -11.999 -1.498 1.00 13.15 O ATOM 98 CB VAL A2019 -7.847 -14.986 -1.919 1.00 12.22 C ATOM 99 CG1 VAL A2019 -6.413 -14.453 -1.936 1.00 14.01 C ATOM 100 CG2 VAL A2019 -8.341 -15.183 -0.484 1.00 4.13 C ATOM 0 H VAL A2019 -7.235 -13.039 -3.667 1.00 42.40 H new ATOM 0 HA VAL A2019 -9.640 -14.671 -3.001 1.00 62.11 H new ATOM 0 HB VAL A2019 -7.848 -15.959 -2.411 1.00 12.22 H new ATOM 0 HG11 VAL A2019 -5.768 -15.127 -1.373 1.00 14.01 H new ATOM 0 HG12 VAL A2019 -6.061 -14.389 -2.966 1.00 14.01 H new ATOM 0 HG13 VAL A2019 -6.388 -13.462 -1.482 1.00 14.01 H new ATOM 0 HG21 VAL A2019 -7.656 -15.842 0.049 1.00 4.13 H new ATOM 0 HG22 VAL A2019 -8.384 -14.218 0.022 1.00 4.13 H new ATOM 0 HG23 VAL A2019 -9.335 -15.629 -0.500 1.00 4.13 H new ATOM 110 N PRO A2020 -10.646 -12.972 -1.566 1.00 71.02 N ATOM 111 CA PRO A2020 -11.291 -11.937 -0.776 1.00 72.53 C ATOM 112 C PRO A2020 -10.922 -12.069 0.703 1.00 21.23 C ATOM 113 O PRO A2020 -11.012 -11.101 1.458 1.00 33.01 O ATOM 114 CB PRO A2020 -12.779 -12.114 -1.034 1.00 21.21 C ATOM 115 CG PRO A2020 -12.942 -13.521 -1.587 1.00 44.12 C ATOM 116 CD PRO A2020 -11.565 -14.029 -1.980 1.00 14.14 C ATOM 0 HA PRO A2020 -10.969 -10.933 -1.054 1.00 72.53 H new ATOM 0 HB2 PRO A2020 -13.352 -11.986 -0.116 1.00 21.21 H new ATOM 0 HB3 PRO A2020 -13.143 -11.371 -1.743 1.00 21.21 H new ATOM 0 HG2 PRO A2020 -13.391 -14.175 -0.840 1.00 44.12 H new ATOM 0 HG3 PRO A2020 -13.608 -13.517 -2.450 1.00 44.12 H new ATOM 0 HD2 PRO A2020 -11.334 -14.971 -1.483 1.00 14.14 H new ATOM 0 HD3 PRO A2020 -11.502 -14.211 -3.053 1.00 14.14 H new ATOM 124 N ILE A2021 -10.516 -13.275 1.074 1.00 53.14 N ATOM 125 CA ILE A2021 -10.131 -13.545 2.449 1.00 72.25 C ATOM 126 C ILE A2021 -8.625 -13.807 2.513 1.00 21.52 C ATOM 127 O ILE A2021 -8.195 -14.956 2.594 1.00 32.45 O ATOM 128 CB ILE A2021 -10.979 -14.680 3.027 1.00 54.31 C ATOM 129 CG1 ILE A2021 -11.177 -15.794 2.000 1.00 74.42 C ATOM 130 CG2 ILE A2021 -12.311 -14.151 3.564 1.00 52.21 C ATOM 131 CD1 ILE A2021 -12.412 -15.531 1.134 1.00 11.34 C ATOM 0 H ILE A2021 -10.445 -14.076 0.446 1.00 53.14 H new ATOM 0 HA ILE A2021 -10.328 -12.677 3.078 1.00 72.25 H new ATOM 0 HB ILE A2021 -10.441 -15.113 3.871 1.00 54.31 H new ATOM 0 HG12 ILE A2021 -10.294 -15.870 1.366 1.00 74.42 H new ATOM 0 HG13 ILE A2021 -11.285 -16.750 2.512 1.00 74.42 H new ATOM 0 HG21 ILE A2021 -12.894 -14.978 3.969 1.00 52.21 H new ATOM 0 HG22 ILE A2021 -12.122 -13.421 4.351 1.00 52.21 H new ATOM 0 HG23 ILE A2021 -12.867 -13.677 2.755 1.00 52.21 H new ATOM 0 HD11 ILE A2021 -12.529 -16.339 0.412 1.00 11.34 H new ATOM 0 HD12 ILE A2021 -13.297 -15.480 1.768 1.00 11.34 H new ATOM 0 HD13 ILE A2021 -12.290 -14.586 0.604 1.00 11.34 H new ATOM 143 N LEU A2022 -7.867 -12.723 2.472 1.00 14.11 N ATOM 144 CA LEU A2022 -6.418 -12.821 2.524 1.00 13.25 C ATOM 145 C LEU A2022 -5.824 -11.427 2.736 1.00 44.20 C ATOM 146 O LEU A2022 -6.545 -10.480 3.043 1.00 1.02 O ATOM 147 CB LEU A2022 -5.884 -13.535 1.280 1.00 73.25 C ATOM 148 CG LEU A2022 -4.869 -14.651 1.531 1.00 21.22 C ATOM 149 CD1 LEU A2022 -5.508 -16.028 1.335 1.00 13.32 C ATOM 150 CD2 LEU A2022 -3.626 -14.468 0.659 1.00 52.12 C ATOM 0 H LEU A2022 -8.228 -11.772 2.403 1.00 14.11 H new ATOM 0 HA LEU A2022 -6.108 -13.432 3.372 1.00 13.25 H new ATOM 0 HB2 LEU A2022 -6.730 -13.956 0.736 1.00 73.25 H new ATOM 0 HB3 LEU A2022 -5.424 -12.792 0.629 1.00 73.25 H new ATOM 0 HG LEU A2022 -4.546 -14.591 2.570 1.00 21.22 H new ATOM 0 HD11 LEU A2022 -4.765 -16.804 1.520 1.00 13.32 H new ATOM 0 HD12 LEU A2022 -6.337 -16.147 2.032 1.00 13.32 H new ATOM 0 HD13 LEU A2022 -5.878 -16.115 0.313 1.00 13.32 H new ATOM 0 HD21 LEU A2022 -2.920 -15.275 0.857 1.00 52.12 H new ATOM 0 HD22 LEU A2022 -3.913 -14.487 -0.392 1.00 52.12 H new ATOM 0 HD23 LEU A2022 -3.157 -13.511 0.890 1.00 52.12 H new ATOM 162 N TRP A2023 -4.512 -11.346 2.563 1.00 73.21 N ATOM 163 CA TRP A2023 -3.812 -10.082 2.732 1.00 23.21 C ATOM 164 C TRP A2023 -4.371 -9.092 1.708 1.00 22.12 C ATOM 165 O TRP A2023 -4.722 -7.966 2.055 1.00 14.32 O ATOM 166 CB TRP A2023 -2.298 -10.275 2.613 1.00 32.34 C ATOM 167 CG TRP A2023 -1.601 -10.560 3.945 1.00 25.01 C ATOM 168 CD1 TRP A2023 -2.164 -10.868 5.121 1.00 12.54 C ATOM 169 CD2 TRP A2023 -0.179 -10.553 4.188 1.00 33.01 C ATOM 170 NE1 TRP A2023 -1.212 -11.058 6.102 1.00 73.45 N ATOM 171 CE2 TRP A2023 0.032 -10.860 5.517 1.00 11.34 C ATOM 172 CE3 TRP A2023 0.892 -10.295 3.316 1.00 3.54 C ATOM 173 CZ2 TRP A2023 1.307 -10.938 6.092 1.00 3.10 C ATOM 174 CZ3 TRP A2023 2.159 -10.377 3.906 1.00 40.14 C ATOM 175 CH2 TRP A2023 2.390 -10.685 5.242 1.00 63.23 C ATOM 0 H TRP A2023 -3.916 -12.133 2.308 1.00 73.21 H new ATOM 0 HA TRP A2023 -3.977 -9.679 3.731 1.00 23.21 H new ATOM 0 HB2 TRP A2023 -2.100 -11.099 1.927 1.00 32.34 H new ATOM 0 HB3 TRP A2023 -1.861 -9.380 2.170 1.00 32.34 H new ATOM 0 HD1 TRP A2023 -3.228 -10.956 5.281 1.00 12.54 H new ATOM 0 HE1 TRP A2023 -1.389 -11.299 7.077 1.00 73.45 H new ATOM 0 HE3 TRP A2023 0.749 -10.053 2.273 1.00 3.54 H new ATOM 0 HZ2 TRP A2023 1.447 -11.180 7.135 1.00 3.10 H new ATOM 0 HZ3 TRP A2023 3.018 -10.188 3.279 1.00 40.14 H new ATOM 0 HH2 TRP A2023 3.400 -10.729 5.622 1.00 63.23 H new ATOM 186 N HIS A2024 -4.437 -9.549 0.466 1.00 41.12 N ATOM 187 CA HIS A2024 -4.947 -8.717 -0.611 1.00 73.54 C ATOM 188 C HIS A2024 -6.242 -8.035 -0.163 1.00 22.24 C ATOM 189 O HIS A2024 -6.608 -6.985 -0.689 1.00 73.55 O ATOM 190 CB HIS A2024 -5.119 -9.533 -1.894 1.00 71.22 C ATOM 191 CG HIS A2024 -4.050 -10.578 -2.106 1.00 52.15 C ATOM 192 ND1 HIS A2024 -4.310 -11.813 -2.673 1.00 43.30 N ATOM 193 CD2 HIS A2024 -2.716 -10.557 -1.822 1.00 51.22 C ATOM 194 CE1 HIS A2024 -3.176 -12.497 -2.721 1.00 65.02 C ATOM 195 NE2 HIS A2024 -2.189 -11.717 -2.194 1.00 62.44 N ATOM 0 H HIS A2024 -4.146 -10.484 0.182 1.00 41.12 H new ATOM 0 HA HIS A2024 -4.226 -7.933 -0.843 1.00 73.54 H new ATOM 0 HB2 HIS A2024 -6.092 -10.023 -1.873 1.00 71.22 H new ATOM 0 HB3 HIS A2024 -5.123 -8.854 -2.746 1.00 71.22 H new ATOM 0 HD2 HIS A2024 -2.179 -9.735 -1.371 1.00 51.22 H new ATOM 0 HE1 HIS A2024 -3.055 -13.497 -3.110 1.00 65.02 H new ATOM 0 HE2 HIS A2024 -1.208 -11.981 -2.101 1.00 62.44 H new ATOM 204 N GLU A2025 -6.898 -8.662 0.801 1.00 73.41 N ATOM 205 CA GLU A2025 -8.146 -8.128 1.326 1.00 11.34 C ATOM 206 C GLU A2025 -7.884 -6.838 2.104 1.00 40.30 C ATOM 207 O GLU A2025 -8.664 -5.890 2.023 1.00 63.22 O ATOM 208 CB GLU A2025 -8.858 -9.163 2.201 1.00 10.33 C ATOM 209 CG GLU A2025 -10.310 -8.755 2.457 1.00 54.30 C ATOM 210 CD GLU A2025 -11.029 -8.430 1.146 1.00 14.42 C ATOM 211 OE1 GLU A2025 -10.695 -9.001 0.099 1.00 24.15 O ATOM 212 OE2 GLU A2025 -11.968 -7.549 1.243 1.00 11.14 O ATOM 0 H GLU A2025 -6.591 -9.534 1.233 1.00 73.41 H new ATOM 0 HA GLU A2025 -8.803 -7.896 0.488 1.00 11.34 H new ATOM 0 HB2 GLU A2025 -8.830 -10.138 1.714 1.00 10.33 H new ATOM 0 HB3 GLU A2025 -8.332 -9.266 3.150 1.00 10.33 H new ATOM 0 HG2 GLU A2025 -10.832 -9.561 2.972 1.00 54.30 H new ATOM 0 HG3 GLU A2025 -10.337 -7.887 3.115 1.00 54.30 H new ATOM 220 N MET A2026 -6.784 -6.840 2.844 1.00 1.12 N ATOM 221 CA MET A2026 -6.412 -5.682 3.635 1.00 15.21 C ATOM 222 C MET A2026 -5.885 -4.556 2.744 1.00 34.24 C ATOM 223 O MET A2026 -6.054 -3.378 3.062 1.00 72.11 O ATOM 224 CB MET A2026 -5.334 -6.080 4.646 1.00 70.42 C ATOM 225 CG MET A2026 -3.938 -5.989 4.025 1.00 24.21 C ATOM 226 SD MET A2026 -3.238 -4.375 4.328 1.00 31.01 S ATOM 227 CE MET A2026 -1.522 -4.711 3.970 1.00 12.20 C ATOM 0 H MET A2026 -6.139 -7.627 2.911 1.00 1.12 H new ATOM 0 HA MET A2026 -7.298 -5.322 4.157 1.00 15.21 H new ATOM 0 HB2 MET A2026 -5.391 -5.429 5.518 1.00 70.42 H new ATOM 0 HB3 MET A2026 -5.515 -7.097 4.995 1.00 70.42 H new ATOM 0 HG2 MET A2026 -3.293 -6.759 4.447 1.00 24.21 H new ATOM 0 HG3 MET A2026 -3.996 -6.174 2.952 1.00 24.21 H new ATOM 0 HE1 MET A2026 -0.937 -4.630 4.886 1.00 12.20 H new ATOM 0 HE2 MET A2026 -1.425 -5.718 3.565 1.00 12.20 H new ATOM 0 HE3 MET A2026 -1.155 -3.990 3.240 1.00 12.20 H new ATOM 237 N TRP A2027 -5.259 -4.955 1.647 1.00 53.23 N ATOM 238 CA TRP A2027 -4.706 -3.993 0.709 1.00 42.44 C ATOM 239 C TRP A2027 -5.872 -3.250 0.052 1.00 22.13 C ATOM 240 O TRP A2027 -5.870 -2.022 -0.019 1.00 25.31 O ATOM 241 CB TRP A2027 -3.789 -4.682 -0.305 1.00 74.21 C ATOM 242 CG TRP A2027 -2.480 -5.201 0.294 1.00 52.41 C ATOM 243 CD1 TRP A2027 -2.300 -6.273 1.077 1.00 53.43 C ATOM 244 CD2 TRP A2027 -1.169 -4.623 0.124 1.00 2.31 C ATOM 245 NE1 TRP A2027 -0.972 -6.428 1.423 1.00 30.42 N ATOM 246 CE2 TRP A2027 -0.262 -5.393 0.825 1.00 72.41 C ATOM 247 CE3 TRP A2027 -0.760 -3.487 -0.599 1.00 4.23 C ATOM 248 CZ2 TRP A2027 1.108 -5.112 0.872 1.00 34.01 C ATOM 249 CZ3 TRP A2027 0.612 -3.220 -0.541 1.00 4.13 C ATOM 250 CH2 TRP A2027 1.538 -3.986 0.160 1.00 74.22 C ATOM 0 H TRP A2027 -5.122 -5.932 1.387 1.00 53.23 H new ATOM 0 HA TRP A2027 -4.077 -3.268 1.225 1.00 42.44 H new ATOM 0 HB2 TRP A2027 -4.326 -5.516 -0.757 1.00 74.21 H new ATOM 0 HB3 TRP A2027 -3.557 -3.980 -1.106 1.00 74.21 H new ATOM 0 HD1 TRP A2027 -3.093 -6.933 1.397 1.00 53.43 H new ATOM 0 HE1 TRP A2027 -0.583 -7.166 2.010 1.00 30.42 H new ATOM 0 HE3 TRP A2027 -1.451 -2.870 -1.155 1.00 4.23 H new ATOM 0 HZ2 TRP A2027 1.797 -5.731 1.428 1.00 34.01 H new ATOM 0 HZ3 TRP A2027 0.978 -2.358 -1.079 1.00 4.13 H new ATOM 0 HH2 TRP A2027 2.583 -3.713 0.155 1.00 74.22 H new ATOM 261 N HIS A2028 -6.841 -4.026 -0.411 1.00 30.34 N ATOM 262 CA HIS A2028 -8.010 -3.458 -1.060 1.00 31.11 C ATOM 263 C HIS A2028 -8.826 -2.661 -0.038 1.00 1.35 C ATOM 264 O HIS A2028 -9.281 -1.557 -0.330 1.00 34.22 O ATOM 265 CB HIS A2028 -8.831 -4.548 -1.752 1.00 30.31 C ATOM 266 CG HIS A2028 -10.325 -4.345 -1.658 1.00 20.14 C ATOM 267 ND1 HIS A2028 -11.058 -3.704 -2.641 1.00 4.33 N ATOM 268 CD2 HIS A2028 -11.213 -4.708 -0.688 1.00 53.32 C ATOM 269 CE1 HIS A2028 -12.330 -3.686 -2.269 1.00 51.40 C ATOM 270 NE2 HIS A2028 -12.424 -4.307 -1.059 1.00 14.53 N ATOM 0 H HIS A2028 -6.840 -5.044 -0.349 1.00 30.34 H new ATOM 0 HA HIS A2028 -7.697 -2.768 -1.843 1.00 31.11 H new ATOM 0 HB2 HIS A2028 -8.546 -4.591 -2.803 1.00 30.31 H new ATOM 0 HB3 HIS A2028 -8.577 -5.513 -1.313 1.00 30.31 H new ATOM 0 HD2 HIS A2028 -10.973 -5.232 0.225 1.00 53.32 H new ATOM 0 HE1 HIS A2028 -13.148 -3.255 -2.827 1.00 51.40 H new ATOM 0 HE2 HIS A2028 -13.283 -4.442 -0.526 1.00 14.53 H new ATOM 279 N GLU A2029 -8.985 -3.252 1.137 1.00 11.21 N ATOM 280 CA GLU A2029 -9.737 -2.612 2.202 1.00 43.43 C ATOM 281 C GLU A2029 -9.027 -1.335 2.660 1.00 23.14 C ATOM 282 O GLU A2029 -9.656 -0.289 2.809 1.00 33.35 O ATOM 283 CB GLU A2029 -9.953 -3.571 3.373 1.00 45.14 C ATOM 284 CG GLU A2029 -9.997 -2.810 4.701 1.00 21.44 C ATOM 285 CD GLU A2029 -10.859 -3.549 5.727 1.00 21.23 C ATOM 286 OE1 GLU A2029 -11.935 -3.061 6.101 1.00 51.32 O ATOM 287 OE2 GLU A2029 -10.377 -4.675 6.136 1.00 4.45 O ATOM 0 H GLU A2029 -8.605 -4.168 1.375 1.00 11.21 H new ATOM 0 HA GLU A2029 -10.718 -2.339 1.815 1.00 43.43 H new ATOM 0 HB2 GLU A2029 -10.885 -4.119 3.232 1.00 45.14 H new ATOM 0 HB3 GLU A2029 -9.150 -4.308 3.398 1.00 45.14 H new ATOM 0 HG2 GLU A2029 -8.986 -2.690 5.089 1.00 21.44 H new ATOM 0 HG3 GLU A2029 -10.397 -1.809 4.538 1.00 21.44 H new ATOM 295 N GLY A2030 -7.725 -1.465 2.870 1.00 42.24 N ATOM 296 CA GLY A2030 -6.921 -0.336 3.307 1.00 32.50 C ATOM 297 C GLY A2030 -7.112 0.865 2.379 1.00 0.03 C ATOM 298 O GLY A2030 -7.519 1.938 2.821 1.00 14.23 O ATOM 0 H GLY A2030 -7.207 -2.335 2.746 1.00 42.24 H new ATOM 0 HA2 GLY A2030 -7.197 -0.061 4.325 1.00 32.50 H new ATOM 0 HA3 GLY A2030 -5.869 -0.620 3.328 1.00 32.50 H new ATOM 302 N LEU A2031 -6.808 0.645 1.109 1.00 4.21 N ATOM 303 CA LEU A2031 -6.940 1.695 0.114 1.00 52.23 C ATOM 304 C LEU A2031 -8.404 2.131 0.030 1.00 13.13 C ATOM 305 O LEU A2031 -8.694 3.296 -0.236 1.00 45.22 O ATOM 306 CB LEU A2031 -6.357 1.241 -1.226 1.00 13.05 C ATOM 307 CG LEU A2031 -4.923 0.705 -1.187 1.00 75.52 C ATOM 308 CD1 LEU A2031 -4.209 0.954 -2.516 1.00 10.23 C ATOM 309 CD2 LEU A2031 -4.153 1.291 -0.002 1.00 15.32 C ATOM 0 H LEU A2031 -6.470 -0.246 0.746 1.00 4.21 H new ATOM 0 HA LEU A2031 -6.361 2.571 0.407 1.00 52.23 H new ATOM 0 HB2 LEU A2031 -7.003 0.465 -1.636 1.00 13.05 H new ATOM 0 HB3 LEU A2031 -6.391 2.082 -1.918 1.00 13.05 H new ATOM 0 HG LEU A2031 -4.964 -0.375 -1.042 1.00 75.52 H new ATOM 0 HD11 LEU A2031 -3.193 0.564 -2.462 1.00 10.23 H new ATOM 0 HD12 LEU A2031 -4.748 0.451 -3.319 1.00 10.23 H new ATOM 0 HD13 LEU A2031 -4.176 2.025 -2.716 1.00 10.23 H new ATOM 0 HD21 LEU A2031 -3.138 0.895 0.004 1.00 15.32 H new ATOM 0 HD22 LEU A2031 -4.119 2.377 -0.092 1.00 15.32 H new ATOM 0 HD23 LEU A2031 -4.654 1.019 0.927 1.00 15.32 H new ATOM 321 N GLU A2032 -9.289 1.173 0.264 1.00 11.44 N ATOM 322 CA GLU A2032 -10.715 1.443 0.219 1.00 4.23 C ATOM 323 C GLU A2032 -11.057 2.638 1.112 1.00 44.12 C ATOM 324 O GLU A2032 -11.691 3.592 0.662 1.00 4.52 O ATOM 325 CB GLU A2032 -11.521 0.208 0.623 1.00 35.44 C ATOM 326 CG GLU A2032 -12.294 -0.360 -0.568 1.00 43.40 C ATOM 327 CD GLU A2032 -13.791 -0.441 -0.261 1.00 43.42 C ATOM 328 OE1 GLU A2032 -14.610 0.087 -1.028 1.00 62.23 O ATOM 329 OE2 GLU A2032 -14.092 -1.083 0.816 1.00 20.21 O ATOM 0 H GLU A2032 -9.045 0.208 0.486 1.00 11.44 H new ATOM 0 HA GLU A2032 -10.985 1.692 -0.807 1.00 4.23 H new ATOM 0 HB2 GLU A2032 -10.850 -0.553 1.021 1.00 35.44 H new ATOM 0 HB3 GLU A2032 -12.217 0.469 1.421 1.00 35.44 H new ATOM 0 HG2 GLU A2032 -12.132 0.268 -1.444 1.00 43.40 H new ATOM 0 HG3 GLU A2032 -11.915 -1.352 -0.813 1.00 43.40 H new ATOM 337 N GLU A2033 -10.625 2.547 2.361 1.00 5.03 N ATOM 338 CA GLU A2033 -10.877 3.608 3.321 1.00 45.24 C ATOM 339 C GLU A2033 -9.889 4.758 3.110 1.00 34.33 C ATOM 340 O GLU A2033 -10.291 5.917 3.017 1.00 53.33 O ATOM 341 CB GLU A2033 -10.807 3.079 4.754 1.00 14.31 C ATOM 342 CG GLU A2033 -11.760 3.851 5.669 1.00 43.41 C ATOM 343 CD GLU A2033 -12.672 2.896 6.443 1.00 1.42 C ATOM 344 OE1 GLU A2033 -13.846 2.733 6.083 1.00 24.41 O ATOM 345 OE2 GLU A2033 -12.118 2.311 7.450 1.00 73.21 O ATOM 0 H GLU A2033 -10.101 1.754 2.731 1.00 5.03 H new ATOM 0 HA GLU A2033 -11.886 3.987 3.159 1.00 45.24 H new ATOM 0 HB2 GLU A2033 -11.062 2.019 4.767 1.00 14.31 H new ATOM 0 HB3 GLU A2033 -9.787 3.166 5.128 1.00 14.31 H new ATOM 0 HG2 GLU A2033 -11.186 4.458 6.369 1.00 43.41 H new ATOM 0 HG3 GLU A2033 -12.365 4.536 5.075 1.00 43.41 H new ATOM 353 N ALA A2034 -8.616 4.398 3.047 1.00 24.25 N ATOM 354 CA ALA A2034 -7.566 5.384 2.851 1.00 71.43 C ATOM 355 C ALA A2034 -7.890 6.227 1.615 1.00 1.31 C ATOM 356 O ALA A2034 -7.845 7.455 1.668 1.00 60.14 O ATOM 357 CB ALA A2034 -6.215 4.678 2.739 1.00 73.32 C ATOM 0 H ALA A2034 -8.287 3.436 3.128 1.00 24.25 H new ATOM 0 HA ALA A2034 -7.509 6.059 3.705 1.00 71.43 H new ATOM 0 HB1 ALA A2034 -5.429 5.418 2.592 1.00 73.32 H new ATOM 0 HB2 ALA A2034 -6.020 4.118 3.654 1.00 73.32 H new ATOM 0 HB3 ALA A2034 -6.232 3.993 1.891 1.00 73.32 H new ATOM 363 N SER A2035 -8.207 5.532 0.532 1.00 41.14 N ATOM 364 CA SER A2035 -8.537 6.201 -0.715 1.00 20.43 C ATOM 365 C SER A2035 -9.892 6.902 -0.593 1.00 33.43 C ATOM 366 O SER A2035 -10.085 7.988 -1.135 1.00 4.24 O ATOM 367 CB SER A2035 -8.556 5.211 -1.882 1.00 44.32 C ATOM 368 OG SER A2035 -9.789 4.501 -1.960 1.00 30.52 O ATOM 0 H SER A2035 -8.242 4.513 0.492 1.00 41.14 H new ATOM 0 HA SER A2035 -7.767 6.946 -0.916 1.00 20.43 H new ATOM 0 HB2 SER A2035 -8.387 5.748 -2.816 1.00 44.32 H new ATOM 0 HB3 SER A2035 -7.736 4.502 -1.769 1.00 44.32 H new ATOM 0 HG SER A2035 -9.685 3.619 -1.546 1.00 30.52 H new ATOM 374 N ARG A2036 -10.795 6.251 0.126 1.00 14.43 N ATOM 375 CA ARG A2036 -12.126 6.797 0.330 1.00 41.22 C ATOM 376 C ARG A2036 -12.038 8.210 0.911 1.00 5.40 C ATOM 377 O ARG A2036 -12.631 9.144 0.374 1.00 3.51 O ATOM 378 CB ARG A2036 -12.946 5.915 1.273 1.00 60.42 C ATOM 379 CG ARG A2036 -14.136 6.686 1.848 1.00 64.52 C ATOM 380 CD ARG A2036 -15.060 5.758 2.640 1.00 72.34 C ATOM 381 NE ARG A2036 -16.095 5.194 1.747 1.00 0.03 N ATOM 382 CZ ARG A2036 -17.032 4.304 2.142 1.00 45.32 C ATOM 383 NH1 ARG A2036 -17.070 3.871 3.420 1.00 44.34 N ATOM 384 NH2 ARG A2036 -17.910 3.865 1.258 1.00 55.24 N ATOM 0 H ARG A2036 -10.631 5.350 0.575 1.00 14.43 H new ATOM 0 HA ARG A2036 -12.622 6.830 -0.640 1.00 41.22 H new ATOM 0 HB2 ARG A2036 -13.303 5.036 0.736 1.00 60.42 H new ATOM 0 HB3 ARG A2036 -12.313 5.558 2.085 1.00 60.42 H new ATOM 0 HG2 ARG A2036 -13.777 7.486 2.495 1.00 64.52 H new ATOM 0 HG3 ARG A2036 -14.694 7.157 1.039 1.00 64.52 H new ATOM 0 HD2 ARG A2036 -14.480 4.953 3.092 1.00 72.34 H new ATOM 0 HD3 ARG A2036 -15.531 6.308 3.454 1.00 72.34 H new ATOM 0 HE ARG A2036 -16.102 5.495 0.773 1.00 0.03 H new ATOM 0 HH11 ARG A2036 -16.388 4.216 4.096 1.00 44.34 H new ATOM 0 HH12 ARG A2036 -17.781 3.199 3.710 1.00 44.34 H new ATOM 0 HH21 ARG A2036 -17.874 4.198 0.295 1.00 55.24 H new ATOM 0 HH22 ARG A2036 -18.624 3.193 1.539 1.00 55.24 H new ATOM 396 N LEU A2037 -11.292 8.321 2.000 1.00 4.34 N ATOM 397 CA LEU A2037 -11.117 9.603 2.661 1.00 32.14 C ATOM 398 C LEU A2037 -10.216 10.494 1.804 1.00 30.10 C ATOM 399 O LEU A2037 -10.474 11.689 1.662 1.00 52.12 O ATOM 400 CB LEU A2037 -10.607 9.406 4.090 1.00 4.50 C ATOM 401 CG LEU A2037 -9.129 9.028 4.227 1.00 53.22 C ATOM 402 CD1 LEU A2037 -8.291 10.240 4.639 1.00 72.51 C ATOM 403 CD2 LEU A2037 -8.952 7.854 5.191 1.00 2.23 C ATOM 0 H LEU A2037 -10.801 7.543 2.442 1.00 4.34 H new ATOM 0 HA LEU A2037 -12.074 10.115 2.758 1.00 32.14 H new ATOM 0 HB2 LEU A2037 -10.780 10.327 4.647 1.00 4.50 H new ATOM 0 HB3 LEU A2037 -11.206 8.629 4.565 1.00 4.50 H new ATOM 0 HG LEU A2037 -8.766 8.702 3.252 1.00 53.22 H new ATOM 0 HD11 LEU A2037 -7.245 9.946 4.730 1.00 72.51 H new ATOM 0 HD12 LEU A2037 -8.384 11.020 3.884 1.00 72.51 H new ATOM 0 HD13 LEU A2037 -8.646 10.619 5.598 1.00 72.51 H new ATOM 0 HD21 LEU A2037 -7.894 7.605 5.271 1.00 2.23 H new ATOM 0 HD22 LEU A2037 -9.335 8.129 6.174 1.00 2.23 H new ATOM 0 HD23 LEU A2037 -9.501 6.990 4.817 1.00 2.23 H new ATOM 415 N TYR A2038 -9.180 9.880 1.253 1.00 71.11 N ATOM 416 CA TYR A2038 -8.241 10.603 0.413 1.00 41.51 C ATOM 417 C TYR A2038 -8.948 11.225 -0.791 1.00 73.15 C ATOM 418 O TYR A2038 -8.872 12.435 -1.004 1.00 43.50 O ATOM 419 CB TYR A2038 -7.233 9.565 -0.084 1.00 4.23 C ATOM 420 CG TYR A2038 -6.172 10.130 -1.030 1.00 4.31 C ATOM 421 CD1 TYR A2038 -5.405 11.209 -0.641 1.00 44.14 C ATOM 422 CD2 TYR A2038 -5.981 9.559 -2.273 1.00 74.02 C ATOM 423 CE1 TYR A2038 -4.408 11.742 -1.532 1.00 1.52 C ATOM 424 CE2 TYR A2038 -4.983 10.091 -3.163 1.00 3.44 C ATOM 425 CZ TYR A2038 -4.245 11.155 -2.749 1.00 72.31 C ATOM 426 OH TYR A2038 -3.303 11.659 -3.591 1.00 21.14 O ATOM 0 H TYR A2038 -8.970 8.889 1.372 1.00 71.11 H new ATOM 0 HA TYR A2038 -7.769 11.410 0.973 1.00 41.51 H new ATOM 0 HB2 TYR A2038 -6.736 9.116 0.776 1.00 4.23 H new ATOM 0 HB3 TYR A2038 -7.771 8.766 -0.594 1.00 4.23 H new ATOM 0 HD1 TYR A2038 -5.553 11.654 0.332 1.00 44.14 H new ATOM 0 HD2 TYR A2038 -6.580 8.714 -2.577 1.00 74.02 H new ATOM 0 HE1 TYR A2038 -3.803 12.588 -1.241 1.00 1.52 H new ATOM 0 HE2 TYR A2038 -4.824 9.655 -4.138 1.00 3.44 H new ATOM 0 HH TYR A2038 -3.297 11.141 -4.423 1.00 21.14 H new ATOM 436 N PHE A2039 -9.622 10.372 -1.550 1.00 32.05 N ATOM 437 CA PHE A2039 -10.342 10.822 -2.728 1.00 70.42 C ATOM 438 C PHE A2039 -11.550 11.677 -2.337 1.00 4.34 C ATOM 439 O PHE A2039 -11.773 12.742 -2.911 1.00 52.43 O ATOM 440 CB PHE A2039 -10.832 9.571 -3.458 1.00 74.43 C ATOM 441 CG PHE A2039 -9.750 8.867 -4.279 1.00 13.22 C ATOM 442 CD1 PHE A2039 -8.658 8.345 -3.659 1.00 73.51 C ATOM 443 CD2 PHE A2039 -9.881 8.762 -5.628 1.00 23.35 C ATOM 444 CE1 PHE A2039 -7.654 7.690 -4.419 1.00 25.10 C ATOM 445 CE2 PHE A2039 -8.876 8.106 -6.389 1.00 70.03 C ATOM 446 CZ PHE A2039 -7.784 7.586 -5.770 1.00 14.24 C ATOM 0 H PHE A2039 -9.684 9.370 -1.371 1.00 32.05 H new ATOM 0 HA PHE A2039 -9.689 11.428 -3.355 1.00 70.42 H new ATOM 0 HB2 PHE A2039 -11.233 8.869 -2.727 1.00 74.43 H new ATOM 0 HB3 PHE A2039 -11.654 9.847 -4.119 1.00 74.43 H new ATOM 0 HD1 PHE A2039 -8.555 8.429 -2.587 1.00 73.51 H new ATOM 0 HD2 PHE A2039 -10.748 9.177 -6.121 1.00 23.35 H new ATOM 0 HE1 PHE A2039 -6.788 7.274 -3.926 1.00 25.10 H new ATOM 0 HE2 PHE A2039 -8.980 8.021 -7.461 1.00 70.03 H new ATOM 0 HZ PHE A2039 -7.019 7.090 -6.350 1.00 14.24 H new ATOM 456 N GLY A2040 -12.299 11.178 -1.363 1.00 3.25 N ATOM 457 CA GLY A2040 -13.479 11.881 -0.891 1.00 52.45 C ATOM 458 C GLY A2040 -13.095 13.191 -0.198 1.00 11.02 C ATOM 459 O GLY A2040 -13.420 14.272 -0.684 1.00 52.11 O ATOM 0 H GLY A2040 -12.111 10.295 -0.888 1.00 3.25 H new ATOM 0 HA2 GLY A2040 -14.142 12.090 -1.730 1.00 52.45 H new ATOM 0 HA3 GLY A2040 -14.032 11.247 -0.198 1.00 52.45 H new ATOM 463 N GLU A2041 -12.407 13.049 0.925 1.00 75.31 N ATOM 464 CA GLU A2041 -11.976 14.207 1.690 1.00 63.14 C ATOM 465 C GLU A2041 -11.917 13.869 3.180 1.00 35.13 C ATOM 466 O GLU A2041 -12.841 13.264 3.720 1.00 74.35 O ATOM 467 CB GLU A2041 -12.895 15.405 1.436 1.00 2.41 C ATOM 468 CG GLU A2041 -12.782 16.432 2.565 1.00 15.14 C ATOM 469 CD GLU A2041 -13.442 17.754 2.172 1.00 42.25 C ATOM 470 OE1 GLU A2041 -14.652 17.787 1.905 1.00 73.35 O ATOM 471 OE2 GLU A2041 -12.651 18.772 2.151 1.00 4.24 O ATOM 0 H GLU A2041 -12.137 12.150 1.324 1.00 75.31 H new ATOM 0 HA GLU A2041 -10.974 14.482 1.361 1.00 63.14 H new ATOM 0 HB2 GLU A2041 -12.635 15.873 0.487 1.00 2.41 H new ATOM 0 HB3 GLU A2041 -13.927 15.065 1.351 1.00 2.41 H new ATOM 0 HG2 GLU A2041 -13.253 16.040 3.466 1.00 15.14 H new ATOM 0 HG3 GLU A2041 -11.732 16.602 2.803 1.00 15.14 H new ATOM 479 N ARG A2042 -10.818 14.272 3.803 1.00 73.42 N ATOM 480 CA ARG A2042 -10.626 14.017 5.222 1.00 61.04 C ATOM 481 C ARG A2042 -9.218 14.435 5.649 1.00 0.44 C ATOM 482 O ARG A2042 -9.054 15.185 6.610 1.00 22.14 O ATOM 483 CB ARG A2042 -10.832 12.537 5.548 1.00 32.51 C ATOM 484 CG ARG A2042 -11.199 12.348 7.022 1.00 13.21 C ATOM 485 CD ARG A2042 -10.522 13.407 7.894 1.00 51.34 C ATOM 486 NE ARG A2042 -10.866 13.185 9.318 1.00 10.53 N ATOM 487 CZ ARG A2042 -12.075 13.449 9.854 1.00 23.50 C ATOM 488 NH1 ARG A2042 -13.071 13.947 9.089 1.00 54.04 N ATOM 489 NH2 ARG A2042 -12.272 13.212 11.137 1.00 74.41 N ATOM 0 H ARG A2042 -10.052 14.773 3.352 1.00 73.42 H new ATOM 0 HA ARG A2042 -11.365 14.604 5.768 1.00 61.04 H new ATOM 0 HB2 ARG A2042 -11.621 12.128 4.917 1.00 32.51 H new ATOM 0 HB3 ARG A2042 -9.923 11.981 5.321 1.00 32.51 H new ATOM 0 HG2 ARG A2042 -12.281 12.410 7.142 1.00 13.21 H new ATOM 0 HG3 ARG A2042 -10.898 11.354 7.351 1.00 13.21 H new ATOM 0 HD2 ARG A2042 -9.441 13.363 7.761 1.00 51.34 H new ATOM 0 HD3 ARG A2042 -10.841 14.403 7.585 1.00 51.34 H new ATOM 0 HE ARG A2042 -10.143 12.809 9.931 1.00 10.53 H new ATOM 0 HH11 ARG A2042 -12.912 14.126 8.098 1.00 54.04 H new ATOM 0 HH12 ARG A2042 -13.982 14.144 9.503 1.00 54.04 H new ATOM 0 HH21 ARG A2042 -11.516 12.835 11.708 1.00 74.41 H new ATOM 0 HH22 ARG A2042 -13.181 13.406 11.558 1.00 74.41 H new ATOM 501 N ASN A2043 -8.237 13.931 4.913 1.00 55.13 N ATOM 502 CA ASN A2043 -6.847 14.243 5.205 1.00 64.24 C ATOM 503 C ASN A2043 -5.961 13.093 4.727 1.00 64.32 C ATOM 504 O ASN A2043 -6.450 11.997 4.457 1.00 74.21 O ATOM 505 CB ASN A2043 -6.626 14.417 6.709 1.00 62.22 C ATOM 506 CG ASN A2043 -6.446 15.894 7.070 1.00 74.51 C ATOM 507 OD1 ASN A2043 -5.822 16.663 6.357 1.00 24.05 O ATOM 508 ND2 ASN A2043 -7.025 16.245 8.213 1.00 63.22 N ATOM 0 H ASN A2043 -8.377 13.310 4.116 1.00 55.13 H new ATOM 0 HA ASN A2043 -6.595 15.172 4.694 1.00 64.24 H new ATOM 0 HB2 ASN A2043 -7.475 14.006 7.255 1.00 62.22 H new ATOM 0 HB3 ASN A2043 -5.746 13.853 7.018 1.00 62.22 H new ATOM 0 HD21 ASN A2043 -6.962 17.209 8.542 1.00 63.22 H new ATOM 0 HD22 ASN A2043 -7.532 15.551 8.762 1.00 63.22 H new ATOM 515 N VAL A2044 -4.671 13.381 4.637 1.00 1.24 N ATOM 516 CA VAL A2044 -3.711 12.384 4.195 1.00 0.45 C ATOM 517 C VAL A2044 -3.306 11.509 5.384 1.00 61.31 C ATOM 518 O VAL A2044 -2.667 10.474 5.208 1.00 21.33 O ATOM 519 CB VAL A2044 -2.517 13.067 3.524 1.00 23.24 C ATOM 520 CG1 VAL A2044 -2.985 14.098 2.494 1.00 23.23 C ATOM 521 CG2 VAL A2044 -1.598 13.709 4.564 1.00 25.05 C ATOM 0 H VAL A2044 -4.268 14.291 4.863 1.00 1.24 H new ATOM 0 HA VAL A2044 -4.158 11.730 3.446 1.00 0.45 H new ATOM 0 HB VAL A2044 -1.945 12.303 2.998 1.00 23.24 H new ATOM 0 HG11 VAL A2044 -2.118 14.569 2.031 1.00 23.23 H new ATOM 0 HG12 VAL A2044 -3.581 13.602 1.728 1.00 23.23 H new ATOM 0 HG13 VAL A2044 -3.590 14.858 2.989 1.00 23.23 H new ATOM 0 HG21 VAL A2044 -0.758 14.187 4.061 1.00 25.05 H new ATOM 0 HG22 VAL A2044 -2.155 14.456 5.130 1.00 25.05 H new ATOM 0 HG23 VAL A2044 -1.226 12.942 5.243 1.00 25.05 H new ATOM 531 N LYS A2045 -3.699 11.958 6.567 1.00 23.45 N ATOM 532 CA LYS A2045 -3.386 11.228 7.785 1.00 62.25 C ATOM 533 C LYS A2045 -4.197 9.931 7.820 1.00 1.52 C ATOM 534 O LYS A2045 -3.706 8.900 8.278 1.00 41.45 O ATOM 535 CB LYS A2045 -3.597 12.118 9.011 1.00 54.21 C ATOM 536 CG LYS A2045 -5.064 12.532 9.144 1.00 24.31 C ATOM 537 CD LYS A2045 -5.725 11.832 10.332 1.00 74.02 C ATOM 538 CE LYS A2045 -7.024 12.540 10.732 1.00 0.35 C ATOM 539 NZ LYS A2045 -6.727 13.830 11.392 1.00 11.11 N ATOM 0 H LYS A2045 -4.231 12.817 6.709 1.00 23.45 H new ATOM 0 HA LYS A2045 -2.333 10.946 7.801 1.00 62.25 H new ATOM 0 HB2 LYS A2045 -3.283 11.586 9.909 1.00 54.21 H new ATOM 0 HB3 LYS A2045 -2.971 13.007 8.932 1.00 54.21 H new ATOM 0 HG2 LYS A2045 -5.131 13.613 9.271 1.00 24.31 H new ATOM 0 HG3 LYS A2045 -5.600 12.285 8.228 1.00 24.31 H new ATOM 0 HD2 LYS A2045 -5.936 10.794 10.076 1.00 74.02 H new ATOM 0 HD3 LYS A2045 -5.039 11.818 11.179 1.00 74.02 H new ATOM 0 HE2 LYS A2045 -7.640 12.710 9.849 1.00 0.35 H new ATOM 0 HE3 LYS A2045 -7.600 11.904 11.405 1.00 0.35 H new ATOM 0 HZ1 LYS A2045 -7.563 14.150 11.921 1.00 11.11 H new ATOM 0 HZ2 LYS A2045 -5.929 13.709 12.047 1.00 11.11 H new ATOM 0 HZ3 LYS A2045 -6.480 14.539 10.673 1.00 11.11 H new ATOM 552 N GLY A2046 -5.423 10.025 7.329 1.00 22.33 N ATOM 553 CA GLY A2046 -6.308 8.871 7.299 1.00 2.12 C ATOM 554 C GLY A2046 -5.701 7.737 6.470 1.00 52.53 C ATOM 555 O GLY A2046 -5.536 6.622 6.963 1.00 55.54 O ATOM 0 H GLY A2046 -5.826 10.881 6.949 1.00 22.33 H new ATOM 0 HA2 GLY A2046 -6.494 8.524 8.315 1.00 2.12 H new ATOM 0 HA3 GLY A2046 -7.272 9.158 6.879 1.00 2.12 H new ATOM 559 N MET A2047 -5.384 8.060 5.226 1.00 51.25 N ATOM 560 CA MET A2047 -4.799 7.084 4.324 1.00 22.41 C ATOM 561 C MET A2047 -3.437 6.610 4.835 1.00 75.10 C ATOM 562 O MET A2047 -3.103 5.432 4.727 1.00 60.55 O ATOM 563 CB MET A2047 -4.635 7.705 2.934 1.00 54.22 C ATOM 564 CG MET A2047 -4.607 9.232 3.016 1.00 12.43 C ATOM 565 SD MET A2047 -3.889 9.910 1.528 1.00 72.24 S ATOM 566 CE MET A2047 -2.166 9.552 1.823 1.00 11.21 C ATOM 0 H MET A2047 -5.522 8.986 4.821 1.00 51.25 H new ATOM 0 HA MET A2047 -5.465 6.223 4.271 1.00 22.41 H new ATOM 0 HB2 MET A2047 -3.713 7.345 2.477 1.00 54.22 H new ATOM 0 HB3 MET A2047 -5.455 7.387 2.290 1.00 54.22 H new ATOM 0 HG2 MET A2047 -5.618 9.616 3.149 1.00 12.43 H new ATOM 0 HG3 MET A2047 -4.029 9.547 3.885 1.00 12.43 H new ATOM 0 HE1 MET A2047 -1.629 10.481 2.014 1.00 11.21 H new ATOM 0 HE2 MET A2047 -2.074 8.895 2.688 1.00 11.21 H new ATOM 0 HE3 MET A2047 -1.741 9.061 0.947 1.00 11.21 H new ATOM 576 N PHE A2048 -2.686 7.556 5.384 1.00 31.53 N ATOM 577 CA PHE A2048 -1.369 7.250 5.914 1.00 31.23 C ATOM 578 C PHE A2048 -1.471 6.402 7.182 1.00 52.13 C ATOM 579 O PHE A2048 -0.692 5.471 7.376 1.00 54.33 O ATOM 580 CB PHE A2048 -0.705 8.584 6.258 1.00 42.35 C ATOM 581 CG PHE A2048 -0.008 9.257 5.073 1.00 3.23 C ATOM 582 CD1 PHE A2048 0.696 8.506 4.184 1.00 61.13 C ATOM 583 CD2 PHE A2048 -0.093 10.604 4.909 1.00 52.20 C ATOM 584 CE1 PHE A2048 1.344 9.131 3.084 1.00 31.51 C ATOM 585 CE2 PHE A2048 0.553 11.229 3.809 1.00 2.02 C ATOM 586 CZ PHE A2048 1.257 10.479 2.920 1.00 41.41 C ATOM 0 H PHE A2048 -2.965 8.533 5.472 1.00 31.53 H new ATOM 0 HA PHE A2048 -0.794 6.687 5.179 1.00 31.23 H new ATOM 0 HB2 PHE A2048 -1.460 9.262 6.655 1.00 42.35 H new ATOM 0 HB3 PHE A2048 0.025 8.421 7.051 1.00 42.35 H new ATOM 0 HD1 PHE A2048 0.763 7.436 4.314 1.00 61.13 H new ATOM 0 HD2 PHE A2048 -0.652 11.199 5.616 1.00 52.20 H new ATOM 0 HE1 PHE A2048 1.905 8.536 2.379 1.00 31.51 H new ATOM 0 HE2 PHE A2048 0.485 12.299 3.679 1.00 2.02 H new ATOM 0 HZ PHE A2048 1.748 10.953 2.083 1.00 41.41 H new ATOM 596 N GLU A2049 -2.440 6.755 8.016 1.00 44.54 N ATOM 597 CA GLU A2049 -2.655 6.038 9.261 1.00 2.43 C ATOM 598 C GLU A2049 -3.318 4.688 8.988 1.00 3.35 C ATOM 599 O GLU A2049 -3.364 3.827 9.866 1.00 70.01 O ATOM 600 CB GLU A2049 -3.486 6.872 10.237 1.00 74.41 C ATOM 601 CG GLU A2049 -4.968 6.841 9.857 1.00 14.34 C ATOM 602 CD GLU A2049 -5.823 7.516 10.931 1.00 35.30 C ATOM 603 OE1 GLU A2049 -5.352 8.441 11.607 1.00 34.10 O ATOM 604 OE2 GLU A2049 -7.021 7.048 11.049 1.00 34.10 O ATOM 0 H GLU A2049 -3.085 7.528 7.853 1.00 44.54 H new ATOM 0 HA GLU A2049 -1.686 5.856 9.726 1.00 2.43 H new ATOM 0 HB2 GLU A2049 -3.358 6.489 11.249 1.00 74.41 H new ATOM 0 HB3 GLU A2049 -3.128 7.902 10.238 1.00 74.41 H new ATOM 0 HG2 GLU A2049 -5.113 7.345 8.902 1.00 14.34 H new ATOM 0 HG3 GLU A2049 -5.292 5.809 9.725 1.00 14.34 H new ATOM 612 N VAL A2050 -3.812 4.543 7.768 1.00 60.13 N ATOM 613 CA VAL A2050 -4.471 3.310 7.370 1.00 24.15 C ATOM 614 C VAL A2050 -3.415 2.291 6.935 1.00 34.13 C ATOM 615 O VAL A2050 -3.471 1.128 7.331 1.00 24.44 O ATOM 616 CB VAL A2050 -5.506 3.598 6.281 1.00 50.23 C ATOM 617 CG1 VAL A2050 -5.921 2.312 5.565 1.00 43.00 C ATOM 618 CG2 VAL A2050 -6.724 4.320 6.860 1.00 44.15 C ATOM 0 H VAL A2050 -3.770 5.258 7.042 1.00 60.13 H new ATOM 0 HA VAL A2050 -5.014 2.878 8.211 1.00 24.15 H new ATOM 0 HB VAL A2050 -5.044 4.257 5.546 1.00 50.23 H new ATOM 0 HG11 VAL A2050 -6.657 2.545 4.796 1.00 43.00 H new ATOM 0 HG12 VAL A2050 -5.046 1.854 5.103 1.00 43.00 H new ATOM 0 HG13 VAL A2050 -6.356 1.619 6.285 1.00 43.00 H new ATOM 0 HG21 VAL A2050 -7.444 4.513 6.065 1.00 44.15 H new ATOM 0 HG22 VAL A2050 -7.186 3.697 7.626 1.00 44.15 H new ATOM 0 HG23 VAL A2050 -6.410 5.265 7.303 1.00 44.15 H new ATOM 628 N LEU A2051 -2.477 2.765 6.129 1.00 2.02 N ATOM 629 CA LEU A2051 -1.411 1.910 5.637 1.00 30.33 C ATOM 630 C LEU A2051 -0.376 1.703 6.745 1.00 74.54 C ATOM 631 O LEU A2051 0.080 0.583 6.971 1.00 33.35 O ATOM 632 CB LEU A2051 -0.822 2.476 4.343 1.00 73.32 C ATOM 633 CG LEU A2051 -1.793 2.614 3.168 1.00 44.32 C ATOM 634 CD1 LEU A2051 -3.242 2.473 3.635 1.00 20.42 C ATOM 635 CD2 LEU A2051 -1.557 3.924 2.414 1.00 52.21 C ATOM 0 H LEU A2051 -2.433 3.731 5.804 1.00 2.02 H new ATOM 0 HA LEU A2051 -1.802 0.926 5.377 1.00 30.33 H new ATOM 0 HB2 LEU A2051 -0.401 3.458 4.558 1.00 73.32 H new ATOM 0 HB3 LEU A2051 0.004 1.836 4.033 1.00 73.32 H new ATOM 0 HG LEU A2051 -1.601 1.801 2.468 1.00 44.32 H new ATOM 0 HD11 LEU A2051 -3.911 2.575 2.781 1.00 20.42 H new ATOM 0 HD12 LEU A2051 -3.383 1.493 4.092 1.00 20.42 H new ATOM 0 HD13 LEU A2051 -3.466 3.250 4.366 1.00 20.42 H new ATOM 0 HD21 LEU A2051 -2.260 3.998 1.584 1.00 52.21 H new ATOM 0 HD22 LEU A2051 -1.706 4.765 3.091 1.00 52.21 H new ATOM 0 HD23 LEU A2051 -0.537 3.944 2.029 1.00 52.21 H new ATOM 647 N GLU A2052 -0.038 2.800 7.407 1.00 22.23 N ATOM 648 CA GLU A2052 0.934 2.753 8.485 1.00 55.41 C ATOM 649 C GLU A2052 0.801 1.442 9.263 1.00 14.22 C ATOM 650 O GLU A2052 1.771 0.698 9.403 1.00 22.12 O ATOM 651 CB GLU A2052 0.781 3.959 9.414 1.00 31.25 C ATOM 652 CG GLU A2052 1.964 4.918 9.267 1.00 43.41 C ATOM 653 CD GLU A2052 1.868 6.066 10.273 1.00 3.11 C ATOM 654 OE1 GLU A2052 2.192 5.883 11.455 1.00 34.22 O ATOM 655 OE2 GLU A2052 1.439 7.181 9.788 1.00 53.54 O ATOM 0 H GLU A2052 -0.420 3.726 7.217 1.00 22.23 H new ATOM 0 HA GLU A2052 1.932 2.795 8.050 1.00 55.41 H new ATOM 0 HB2 GLU A2052 -0.147 4.483 9.186 1.00 31.25 H new ATOM 0 HB3 GLU A2052 0.710 3.620 10.447 1.00 31.25 H new ATOM 0 HG2 GLU A2052 2.897 4.375 9.417 1.00 43.41 H new ATOM 0 HG3 GLU A2052 1.988 5.319 8.254 1.00 43.41 H new ATOM 663 N PRO A2053 -0.440 1.192 9.760 1.00 12.13 N ATOM 664 CA PRO A2053 -0.712 -0.016 10.520 1.00 34.14 C ATOM 665 C PRO A2053 -0.798 -1.236 9.600 1.00 2.10 C ATOM 666 O PRO A2053 -0.161 -2.257 9.856 1.00 34.30 O ATOM 667 CB PRO A2053 -2.013 0.266 11.255 1.00 30.24 C ATOM 668 CG PRO A2053 -2.660 1.431 10.523 1.00 53.00 C ATOM 669 CD PRO A2053 -1.612 2.049 9.611 1.00 14.00 C ATOM 0 HA PRO A2053 0.084 -0.257 11.224 1.00 34.14 H new ATOM 0 HB2 PRO A2053 -2.663 -0.609 11.249 1.00 30.24 H new ATOM 0 HB3 PRO A2053 -1.826 0.516 12.299 1.00 30.24 H new ATOM 0 HG2 PRO A2053 -3.517 1.089 9.943 1.00 53.00 H new ATOM 0 HG3 PRO A2053 -3.031 2.170 11.234 1.00 53.00 H new ATOM 0 HD2 PRO A2053 -1.954 2.076 8.576 1.00 14.00 H new ATOM 0 HD3 PRO A2053 -1.391 3.076 9.901 1.00 14.00 H new ATOM 677 N LEU A2054 -1.588 -1.088 8.547 1.00 32.44 N ATOM 678 CA LEU A2054 -1.765 -2.165 7.587 1.00 61.43 C ATOM 679 C LEU A2054 -0.395 -2.709 7.180 1.00 13.35 C ATOM 680 O LEU A2054 -0.129 -3.901 7.324 1.00 61.20 O ATOM 681 CB LEU A2054 -2.616 -1.694 6.406 1.00 31.14 C ATOM 682 CG LEU A2054 -4.132 -1.782 6.593 1.00 72.11 C ATOM 683 CD1 LEU A2054 -4.869 -1.240 5.368 1.00 65.10 C ATOM 684 CD2 LEU A2054 -4.561 -3.209 6.938 1.00 63.25 C ATOM 0 H LEU A2054 -2.113 -0.239 8.337 1.00 32.44 H new ATOM 0 HA LEU A2054 -2.315 -2.991 8.037 1.00 61.43 H new ATOM 0 HB2 LEU A2054 -2.357 -0.658 6.187 1.00 31.14 H new ATOM 0 HB3 LEU A2054 -2.343 -2.283 5.530 1.00 31.14 H new ATOM 0 HG LEU A2054 -4.408 -1.151 7.438 1.00 72.11 H new ATOM 0 HD11 LEU A2054 -5.945 -1.315 5.528 1.00 65.10 H new ATOM 0 HD12 LEU A2054 -4.597 -0.196 5.212 1.00 65.10 H new ATOM 0 HD13 LEU A2054 -4.592 -1.822 4.489 1.00 65.10 H new ATOM 0 HD21 LEU A2054 -5.643 -3.243 7.065 1.00 63.25 H new ATOM 0 HD22 LEU A2054 -4.269 -3.882 6.131 1.00 63.25 H new ATOM 0 HD23 LEU A2054 -4.077 -3.521 7.863 1.00 63.25 H new ATOM 696 N HIS A2055 0.438 -1.809 6.680 1.00 52.44 N ATOM 697 CA HIS A2055 1.775 -2.185 6.250 1.00 64.24 C ATOM 698 C HIS A2055 2.551 -2.762 7.434 1.00 30.43 C ATOM 699 O HIS A2055 3.113 -3.852 7.342 1.00 43.15 O ATOM 700 CB HIS A2055 2.488 -1.000 5.595 1.00 64.44 C ATOM 701 CG HIS A2055 1.932 -0.619 4.243 1.00 55.32 C ATOM 702 ND1 HIS A2055 1.964 0.676 3.757 1.00 54.23 N ATOM 703 CD2 HIS A2055 1.331 -1.378 3.281 1.00 74.25 C ATOM 704 CE1 HIS A2055 1.405 0.688 2.557 1.00 21.11 C ATOM 705 NE2 HIS A2055 1.013 -0.586 2.263 1.00 33.30 N ATOM 0 H HIS A2055 0.214 -0.821 6.563 1.00 52.44 H new ATOM 0 HA HIS A2055 1.711 -2.962 5.489 1.00 64.24 H new ATOM 0 HB2 HIS A2055 2.423 -0.138 6.259 1.00 64.44 H new ATOM 0 HB3 HIS A2055 3.546 -1.240 5.487 1.00 64.44 H new ATOM 0 HD2 HIS A2055 1.146 -2.440 3.338 1.00 74.25 H new ATOM 0 HE1 HIS A2055 1.281 1.553 1.923 1.00 21.11 H new ATOM 0 HE2 HIS A2055 0.552 -0.881 1.403 1.00 33.30 H new ATOM 714 N ALA A2056 2.558 -2.005 8.521 1.00 0.03 N ATOM 715 CA ALA A2056 3.257 -2.429 9.724 1.00 32.41 C ATOM 716 C ALA A2056 2.826 -3.852 10.085 1.00 43.33 C ATOM 717 O ALA A2056 3.666 -4.713 10.341 1.00 54.34 O ATOM 718 CB ALA A2056 2.980 -1.432 10.852 1.00 12.20 C ATOM 0 H ALA A2056 2.091 -1.101 8.595 1.00 0.03 H new ATOM 0 HA ALA A2056 4.334 -2.444 9.558 1.00 32.41 H new ATOM 0 HB1 ALA A2056 3.503 -1.749 11.754 1.00 12.20 H new ATOM 0 HB2 ALA A2056 3.331 -0.443 10.558 1.00 12.20 H new ATOM 0 HB3 ALA A2056 1.909 -1.394 11.049 1.00 12.20 H new ATOM 724 N MET A2057 1.517 -4.056 10.091 1.00 71.24 N ATOM 725 CA MET A2057 0.964 -5.359 10.417 1.00 2.23 C ATOM 726 C MET A2057 1.620 -6.457 9.577 1.00 53.51 C ATOM 727 O MET A2057 1.890 -7.549 10.077 1.00 21.40 O ATOM 728 CB MET A2057 -0.544 -5.353 10.160 1.00 12.25 C ATOM 729 CG MET A2057 -0.930 -6.418 9.132 1.00 63.41 C ATOM 730 SD MET A2057 -2.702 -6.449 8.920 1.00 63.10 S ATOM 731 CE MET A2057 -2.802 -7.029 7.235 1.00 42.33 C ATOM 0 H MET A2057 0.823 -3.340 9.875 1.00 71.24 H new ATOM 0 HA MET A2057 1.161 -5.564 11.469 1.00 2.23 H new ATOM 0 HB2 MET A2057 -1.076 -5.534 11.094 1.00 12.25 H new ATOM 0 HB3 MET A2057 -0.852 -4.370 9.803 1.00 12.25 H new ATOM 0 HG2 MET A2057 -0.445 -6.207 8.179 1.00 63.41 H new ATOM 0 HG3 MET A2057 -0.578 -7.396 9.460 1.00 63.41 H new ATOM 0 HE1 MET A2057 -3.841 -7.242 6.985 1.00 42.33 H new ATOM 0 HE2 MET A2057 -2.417 -6.262 6.563 1.00 42.33 H new ATOM 0 HE3 MET A2057 -2.209 -7.937 7.127 1.00 42.33 H new ATOM 741 N MET A2058 1.858 -6.131 8.315 1.00 53.21 N ATOM 742 CA MET A2058 2.478 -7.075 7.402 1.00 61.32 C ATOM 743 C MET A2058 3.924 -7.362 7.807 1.00 23.32 C ATOM 744 O MET A2058 4.412 -8.476 7.632 1.00 2.44 O ATOM 745 CB MET A2058 2.449 -6.506 5.981 1.00 53.42 C ATOM 746 CG MET A2058 1.010 -6.308 5.499 1.00 41.32 C ATOM 747 SD MET A2058 0.600 -7.546 4.280 1.00 61.24 S ATOM 748 CE MET A2058 -1.095 -7.874 4.730 1.00 41.20 C ATOM 0 H MET A2058 1.632 -5.225 7.903 1.00 53.21 H new ATOM 0 HA MET A2058 1.918 -8.009 7.441 1.00 61.32 H new ATOM 0 HB2 MET A2058 2.979 -5.554 5.956 1.00 53.42 H new ATOM 0 HB3 MET A2058 2.973 -7.181 5.304 1.00 53.42 H new ATOM 0 HG2 MET A2058 0.323 -6.374 6.342 1.00 41.32 H new ATOM 0 HG3 MET A2058 0.895 -5.312 5.071 1.00 41.32 H new ATOM 0 HE1 MET A2058 -1.652 -8.187 3.847 1.00 41.20 H new ATOM 0 HE2 MET A2058 -1.126 -8.666 5.478 1.00 41.20 H new ATOM 0 HE3 MET A2058 -1.544 -6.969 5.140 1.00 41.20 H new ATOM 758 N GLU A2059 4.571 -6.336 8.341 1.00 10.03 N ATOM 759 CA GLU A2059 5.953 -6.464 8.774 1.00 63.53 C ATOM 760 C GLU A2059 6.029 -7.263 10.076 1.00 61.43 C ATOM 761 O GLU A2059 6.605 -8.349 10.109 1.00 71.11 O ATOM 762 CB GLU A2059 6.606 -5.090 8.934 1.00 72.33 C ATOM 763 CG GLU A2059 6.166 -4.140 7.819 1.00 22.10 C ATOM 764 CD GLU A2059 6.219 -4.832 6.456 1.00 45.04 C ATOM 765 OE1 GLU A2059 5.252 -5.500 6.060 1.00 14.12 O ATOM 766 OE2 GLU A2059 7.314 -4.656 5.795 1.00 15.25 O ATOM 0 H GLU A2059 4.164 -5.412 8.484 1.00 10.03 H new ATOM 0 HA GLU A2059 6.506 -7.005 8.006 1.00 63.53 H new ATOM 0 HB2 GLU A2059 6.339 -4.667 9.903 1.00 72.33 H new ATOM 0 HB3 GLU A2059 7.691 -5.195 8.920 1.00 72.33 H new ATOM 0 HG2 GLU A2059 5.152 -3.790 8.014 1.00 22.10 H new ATOM 0 HG3 GLU A2059 6.811 -3.261 7.810 1.00 22.10 H new ATOM 774 N ARG A2060 5.438 -6.695 11.118 1.00 42.25 N ATOM 775 CA ARG A2060 5.434 -7.340 12.419 1.00 51.11 C ATOM 776 C ARG A2060 4.528 -8.574 12.397 1.00 44.23 C ATOM 777 O ARG A2060 4.633 -9.443 13.260 1.00 15.33 O ATOM 778 CB ARG A2060 4.949 -6.381 13.507 1.00 74.21 C ATOM 779 CG ARG A2060 3.489 -5.984 13.278 1.00 42.11 C ATOM 780 CD ARG A2060 3.014 -5.000 14.350 1.00 33.14 C ATOM 781 NE ARG A2060 1.549 -4.814 14.251 1.00 23.42 N ATOM 782 CZ ARG A2060 0.640 -5.687 14.735 1.00 14.14 C ATOM 783 NH1 ARG A2060 1.040 -6.817 15.358 1.00 21.11 N ATOM 784 NH2 ARG A2060 -0.644 -5.420 14.592 1.00 32.21 N ATOM 0 H ARG A2060 4.959 -5.795 11.087 1.00 42.25 H new ATOM 0 HA ARG A2060 6.458 -7.640 12.644 1.00 51.11 H new ATOM 0 HB2 ARG A2060 5.052 -6.852 14.484 1.00 74.21 H new ATOM 0 HB3 ARG A2060 5.575 -5.489 13.516 1.00 74.21 H new ATOM 0 HG2 ARG A2060 3.381 -5.533 12.292 1.00 42.11 H new ATOM 0 HG3 ARG A2060 2.860 -6.874 13.292 1.00 42.11 H new ATOM 0 HD2 ARG A2060 3.276 -5.373 15.340 1.00 33.14 H new ATOM 0 HD3 ARG A2060 3.520 -4.042 14.227 1.00 33.14 H new ATOM 0 HE ARG A2060 1.204 -3.973 13.788 1.00 23.42 H new ATOM 0 HH11 ARG A2060 2.035 -7.015 15.465 1.00 21.11 H new ATOM 0 HH12 ARG A2060 0.347 -7.472 15.721 1.00 21.11 H new ATOM 0 HH21 ARG A2060 -0.938 -4.564 14.121 1.00 32.21 H new ATOM 0 HH22 ARG A2060 -1.343 -6.070 14.952 1.00 32.21 H new ATOM 796 N GLY A2061 3.659 -8.612 11.397 1.00 52.11 N ATOM 797 CA GLY A2061 2.736 -9.724 11.248 1.00 14.03 C ATOM 798 C GLY A2061 2.984 -10.473 9.939 1.00 65.02 C ATOM 799 O GLY A2061 2.242 -10.305 8.973 1.00 52.22 O ATOM 0 H GLY A2061 3.575 -7.890 10.682 1.00 52.11 H new ATOM 0 HA2 GLY A2061 2.847 -10.408 12.089 1.00 14.03 H new ATOM 0 HA3 GLY A2061 1.711 -9.355 11.271 1.00 14.03 H new ATOM 803 N PRO A2062 4.060 -11.307 9.948 1.00 63.25 N ATOM 804 CA PRO A2062 4.416 -12.081 8.772 1.00 11.24 C ATOM 805 C PRO A2062 3.460 -13.261 8.583 1.00 22.42 C ATOM 806 O PRO A2062 2.366 -13.275 9.144 1.00 71.13 O ATOM 807 CB PRO A2062 5.854 -12.514 9.006 1.00 63.42 C ATOM 808 CG PRO A2062 6.097 -12.363 10.500 1.00 51.14 C ATOM 809 CD PRO A2062 4.962 -11.532 11.073 1.00 72.51 C ATOM 0 HA PRO A2062 4.332 -11.507 7.849 1.00 11.24 H new ATOM 0 HB2 PRO A2062 6.008 -13.545 8.687 1.00 63.42 H new ATOM 0 HB3 PRO A2062 6.546 -11.896 8.433 1.00 63.42 H new ATOM 0 HG2 PRO A2062 6.136 -13.340 10.981 1.00 51.14 H new ATOM 0 HG3 PRO A2062 7.056 -11.879 10.684 1.00 51.14 H new ATOM 0 HD2 PRO A2062 4.458 -12.057 11.885 1.00 72.51 H new ATOM 0 HD3 PRO A2062 5.328 -10.590 11.481 1.00 72.51 H new ATOM 817 N GLN A2063 3.909 -14.222 7.790 1.00 31.24 N ATOM 818 CA GLN A2063 3.108 -15.405 7.520 1.00 62.33 C ATOM 819 C GLN A2063 4.011 -16.612 7.263 1.00 23.32 C ATOM 820 O GLN A2063 4.181 -17.462 8.137 1.00 63.51 O ATOM 821 CB GLN A2063 2.160 -15.167 6.341 1.00 31.04 C ATOM 822 CG GLN A2063 0.719 -15.520 6.715 1.00 2.21 C ATOM 823 CD GLN A2063 -0.262 -14.490 6.151 1.00 51.42 C ATOM 824 OE1 GLN A2063 -0.213 -13.312 6.467 1.00 62.23 O ATOM 825 NE2 GLN A2063 -1.149 -14.997 5.302 1.00 31.20 N ATOM 0 H GLN A2063 4.817 -14.206 7.325 1.00 31.24 H new ATOM 0 HA GLN A2063 2.498 -15.615 8.399 1.00 62.33 H new ATOM 0 HB2 GLN A2063 2.214 -14.123 6.032 1.00 31.04 H new ATOM 0 HB3 GLN A2063 2.476 -15.769 5.489 1.00 31.04 H new ATOM 0 HG2 GLN A2063 0.472 -16.510 6.332 1.00 2.21 H new ATOM 0 HG3 GLN A2063 0.622 -15.564 7.800 1.00 2.21 H new ATOM 0 HE21 GLN A2063 -1.133 -15.993 5.082 1.00 31.20 H new ATOM 0 HE22 GLN A2063 -1.846 -14.390 4.870 1.00 31.20 H new ATOM 834 N THR A2064 4.567 -16.651 6.061 1.00 75.25 N ATOM 835 CA THR A2064 5.448 -17.739 5.679 1.00 31.11 C ATOM 836 C THR A2064 6.390 -17.294 4.558 1.00 3.43 C ATOM 837 O THR A2064 6.515 -16.103 4.283 1.00 40.55 O ATOM 838 CB THR A2064 4.580 -18.940 5.300 1.00 32.51 C ATOM 839 OG1 THR A2064 3.494 -18.370 4.576 1.00 15.31 O ATOM 840 CG2 THR A2064 3.916 -19.589 6.518 1.00 22.44 C ATOM 0 H THR A2064 4.424 -15.945 5.339 1.00 75.25 H new ATOM 0 HA THR A2064 6.093 -18.034 6.507 1.00 31.11 H new ATOM 0 HB THR A2064 5.190 -19.679 4.781 1.00 32.51 H new ATOM 0 HG1 THR A2064 2.882 -19.081 4.291 1.00 15.31 H new ATOM 0 HG21 THR A2064 3.311 -20.436 6.194 1.00 22.44 H new ATOM 0 HG22 THR A2064 4.684 -19.935 7.210 1.00 22.44 H new ATOM 0 HG23 THR A2064 3.279 -18.859 7.018 1.00 22.44 H new ATOM 848 N LEU A2065 7.029 -18.278 3.940 1.00 51.44 N ATOM 849 CA LEU A2065 7.957 -18.003 2.856 1.00 63.53 C ATOM 850 C LEU A2065 7.191 -17.386 1.682 1.00 43.44 C ATOM 851 O LEU A2065 7.765 -16.641 0.887 1.00 75.42 O ATOM 852 CB LEU A2065 8.738 -19.264 2.486 1.00 33.10 C ATOM 853 CG LEU A2065 10.239 -19.082 2.258 1.00 40.12 C ATOM 854 CD1 LEU A2065 10.513 -18.469 0.882 1.00 51.34 C ATOM 855 CD2 LEU A2065 10.869 -18.262 3.386 1.00 25.41 C ATOM 0 H LEU A2065 6.922 -19.266 4.170 1.00 51.44 H new ATOM 0 HA LEU A2065 8.705 -17.275 3.169 1.00 63.53 H new ATOM 0 HB2 LEU A2065 8.598 -19.999 3.278 1.00 33.10 H new ATOM 0 HB3 LEU A2065 8.302 -19.685 1.580 1.00 33.10 H new ATOM 0 HG LEU A2065 10.709 -20.065 2.273 1.00 40.12 H new ATOM 0 HD11 LEU A2065 11.588 -18.350 0.744 1.00 51.34 H new ATOM 0 HD12 LEU A2065 10.118 -19.125 0.106 1.00 51.34 H new ATOM 0 HD13 LEU A2065 10.028 -17.495 0.815 1.00 51.34 H new ATOM 0 HD21 LEU A2065 11.937 -18.147 3.200 1.00 25.41 H new ATOM 0 HD22 LEU A2065 10.400 -17.279 3.427 1.00 25.41 H new ATOM 0 HD23 LEU A2065 10.720 -18.775 4.336 1.00 25.41 H new ATOM 867 N LYS A2066 5.912 -17.721 1.609 1.00 52.21 N ATOM 868 CA LYS A2066 5.064 -17.210 0.546 1.00 0.14 C ATOM 869 C LYS A2066 4.924 -15.694 0.696 1.00 75.31 C ATOM 870 O LYS A2066 5.301 -14.940 -0.199 1.00 10.32 O ATOM 871 CB LYS A2066 3.728 -17.954 0.522 1.00 73.51 C ATOM 872 CG LYS A2066 3.252 -18.182 -0.912 1.00 21.20 C ATOM 873 CD LYS A2066 1.966 -17.404 -1.197 1.00 50.04 C ATOM 874 CE LYS A2066 0.819 -18.350 -1.551 1.00 3.13 C ATOM 875 NZ LYS A2066 -0.329 -17.592 -2.099 1.00 72.51 N ATOM 0 H LYS A2066 5.442 -18.340 2.269 1.00 52.21 H new ATOM 0 HA LYS A2066 5.520 -17.393 -0.427 1.00 0.14 H new ATOM 0 HB2 LYS A2066 3.833 -18.912 1.031 1.00 73.51 H new ATOM 0 HB3 LYS A2066 2.980 -17.382 1.070 1.00 73.51 H new ATOM 0 HG2 LYS A2066 4.030 -17.872 -1.610 1.00 21.20 H new ATOM 0 HG3 LYS A2066 3.081 -19.246 -1.077 1.00 21.20 H new ATOM 0 HD2 LYS A2066 1.696 -16.810 -0.324 1.00 50.04 H new ATOM 0 HD3 LYS A2066 2.133 -16.707 -2.018 1.00 50.04 H new ATOM 0 HE2 LYS A2066 1.158 -19.085 -2.281 1.00 3.13 H new ATOM 0 HE3 LYS A2066 0.508 -18.902 -0.664 1.00 3.13 H new ATOM 0 HZ1 LYS A2066 -1.099 -18.250 -2.334 1.00 72.51 H new ATOM 0 HZ2 LYS A2066 -0.663 -16.907 -1.391 1.00 72.51 H new ATOM 0 HZ3 LYS A2066 -0.032 -17.085 -2.957 1.00 72.51 H new ATOM 888 N GLU A2067 4.377 -15.293 1.835 1.00 72.31 N ATOM 889 CA GLU A2067 4.180 -13.880 2.115 1.00 4.14 C ATOM 890 C GLU A2067 5.516 -13.135 2.041 1.00 74.42 C ATOM 891 O GLU A2067 5.552 -11.957 1.690 1.00 2.10 O ATOM 892 CB GLU A2067 3.513 -13.679 3.477 1.00 21.13 C ATOM 893 CG GLU A2067 4.558 -13.590 4.591 1.00 4.12 C ATOM 894 CD GLU A2067 5.106 -12.167 4.716 1.00 32.32 C ATOM 895 OE1 GLU A2067 4.811 -11.312 3.868 1.00 51.03 O ATOM 896 OE2 GLU A2067 5.863 -11.962 5.740 1.00 70.44 O ATOM 0 H GLU A2067 4.064 -15.922 2.575 1.00 72.31 H new ATOM 0 HA GLU A2067 3.513 -13.467 1.358 1.00 4.14 H new ATOM 0 HB2 GLU A2067 2.914 -12.769 3.462 1.00 21.13 H new ATOM 0 HB3 GLU A2067 2.832 -14.506 3.678 1.00 21.13 H new ATOM 0 HG2 GLU A2067 4.113 -13.897 5.538 1.00 4.12 H new ATOM 0 HG3 GLU A2067 5.375 -14.281 4.384 1.00 4.12 H new ATOM 904 N THR A2068 6.577 -13.852 2.380 1.00 60.45 N ATOM 905 CA THR A2068 7.908 -13.272 2.358 1.00 4.32 C ATOM 906 C THR A2068 8.204 -12.666 0.984 1.00 20.15 C ATOM 907 O THR A2068 8.829 -11.613 0.888 1.00 11.30 O ATOM 908 CB THR A2068 8.905 -14.359 2.769 1.00 71.42 C ATOM 909 OG1 THR A2068 9.020 -14.208 4.182 1.00 63.03 O ATOM 910 CG2 THR A2068 10.316 -14.087 2.249 1.00 1.31 C ATOM 0 H THR A2068 6.542 -14.829 2.671 1.00 60.45 H new ATOM 0 HA THR A2068 7.991 -12.448 3.067 1.00 4.32 H new ATOM 0 HB THR A2068 8.562 -15.325 2.397 1.00 71.42 H new ATOM 0 HG1 THR A2068 8.313 -14.722 4.625 1.00 63.03 H new ATOM 0 HG21 THR A2068 10.982 -14.888 2.569 1.00 1.31 H new ATOM 0 HG22 THR A2068 10.300 -14.042 1.160 1.00 1.31 H new ATOM 0 HG23 THR A2068 10.673 -13.137 2.647 1.00 1.31 H new ATOM 918 N SER A2069 7.741 -13.362 -0.045 1.00 72.23 N ATOM 919 CA SER A2069 7.946 -12.906 -1.410 1.00 53.44 C ATOM 920 C SER A2069 7.019 -11.727 -1.714 1.00 31.42 C ATOM 921 O SER A2069 7.366 -10.845 -2.496 1.00 0.34 O ATOM 922 CB SER A2069 7.712 -14.038 -2.410 1.00 34.14 C ATOM 923 OG SER A2069 8.489 -15.193 -2.101 1.00 3.31 O ATOM 0 H SER A2069 7.225 -14.238 0.039 1.00 72.23 H new ATOM 0 HA SER A2069 8.981 -12.579 -1.509 1.00 53.44 H new ATOM 0 HB2 SER A2069 6.655 -14.303 -2.416 1.00 34.14 H new ATOM 0 HB3 SER A2069 7.960 -13.692 -3.414 1.00 34.14 H new ATOM 0 HG SER A2069 8.310 -15.894 -2.762 1.00 3.31 H new ATOM 929 N PHE A2070 5.855 -11.753 -1.079 1.00 74.20 N ATOM 930 CA PHE A2070 4.875 -10.699 -1.272 1.00 71.34 C ATOM 931 C PHE A2070 5.357 -9.382 -0.657 1.00 62.22 C ATOM 932 O PHE A2070 5.375 -8.350 -1.328 1.00 33.42 O ATOM 933 CB PHE A2070 3.596 -11.140 -0.559 1.00 24.52 C ATOM 934 CG PHE A2070 2.447 -10.135 -0.656 1.00 45.53 C ATOM 935 CD1 PHE A2070 1.604 -10.165 -1.723 1.00 24.31 C ATOM 936 CD2 PHE A2070 2.273 -9.205 0.322 1.00 41.50 C ATOM 937 CE1 PHE A2070 0.538 -9.231 -1.813 1.00 73.13 C ATOM 938 CE2 PHE A2070 1.208 -8.271 0.232 1.00 64.34 C ATOM 939 CZ PHE A2070 0.363 -8.304 -0.835 1.00 73.01 C ATOM 0 H PHE A2070 5.570 -12.487 -0.431 1.00 74.20 H new ATOM 0 HA PHE A2070 4.712 -10.535 -2.337 1.00 71.34 H new ATOM 0 HB2 PHE A2070 3.269 -12.091 -0.979 1.00 24.52 H new ATOM 0 HB3 PHE A2070 3.822 -11.317 0.493 1.00 24.52 H new ATOM 0 HD1 PHE A2070 1.745 -10.899 -2.502 1.00 24.31 H new ATOM 0 HD2 PHE A2070 2.945 -9.178 1.167 1.00 41.50 H new ATOM 0 HE1 PHE A2070 -0.133 -9.257 -2.659 1.00 73.13 H new ATOM 0 HE2 PHE A2070 1.068 -7.535 1.009 1.00 64.34 H new ATOM 0 HZ PHE A2070 -0.447 -7.593 -0.904 1.00 73.01 H new ATOM 949 N ASN A2071 5.735 -9.461 0.610 1.00 53.02 N ATOM 950 CA ASN A2071 6.215 -8.289 1.321 1.00 53.34 C ATOM 951 C ASN A2071 7.515 -7.802 0.675 1.00 3.53 C ATOM 952 O ASN A2071 7.816 -6.610 0.702 1.00 24.43 O ATOM 953 CB ASN A2071 6.511 -8.617 2.786 1.00 31.11 C ATOM 954 CG ASN A2071 7.291 -7.484 3.455 1.00 15.42 C ATOM 955 OD1 ASN A2071 6.985 -6.312 3.308 1.00 60.43 O ATOM 956 ND2 ASN A2071 8.315 -7.896 4.197 1.00 75.31 N ATOM 0 H ASN A2071 5.719 -10.318 1.162 1.00 53.02 H new ATOM 0 HA ASN A2071 5.440 -7.524 1.271 1.00 53.34 H new ATOM 0 HB2 ASN A2071 5.576 -8.785 3.321 1.00 31.11 H new ATOM 0 HB3 ASN A2071 7.083 -9.543 2.847 1.00 31.11 H new ATOM 0 HD21 ASN A2071 8.898 -7.216 4.685 1.00 75.31 H new ATOM 0 HD22 ASN A2071 8.517 -8.892 4.279 1.00 75.31 H new ATOM 963 N GLN A2072 8.248 -8.750 0.109 1.00 54.41 N ATOM 964 CA GLN A2072 9.507 -8.433 -0.542 1.00 44.44 C ATOM 965 C GLN A2072 9.253 -7.867 -1.941 1.00 12.44 C ATOM 966 O GLN A2072 9.775 -6.808 -2.290 1.00 61.32 O ATOM 967 CB GLN A2072 10.416 -9.661 -0.605 1.00 22.12 C ATOM 968 CG GLN A2072 11.281 -9.768 0.653 1.00 33.31 C ATOM 969 CD GLN A2072 12.559 -8.938 0.513 1.00 71.35 C ATOM 970 OE1 GLN A2072 13.172 -8.866 -0.539 1.00 64.23 O ATOM 971 NE2 GLN A2072 12.925 -8.316 1.631 1.00 61.11 N ATOM 0 H GLN A2072 7.994 -9.738 0.088 1.00 54.41 H new ATOM 0 HA GLN A2072 10.018 -7.673 0.049 1.00 44.44 H new ATOM 0 HB2 GLN A2072 9.810 -10.561 -0.712 1.00 22.12 H new ATOM 0 HB3 GLN A2072 11.055 -9.600 -1.486 1.00 22.12 H new ATOM 0 HG2 GLN A2072 10.714 -9.426 1.519 1.00 33.31 H new ATOM 0 HG3 GLN A2072 11.539 -10.812 0.833 1.00 33.31 H new ATOM 0 HE21 GLN A2072 12.366 -8.419 2.478 1.00 61.11 H new ATOM 0 HE22 GLN A2072 13.764 -7.736 1.641 1.00 61.11 H new ATOM 980 N ALA A2073 8.452 -8.597 -2.702 1.00 31.32 N ATOM 981 CA ALA A2073 8.122 -8.179 -4.056 1.00 32.14 C ATOM 982 C ALA A2073 7.873 -6.670 -4.073 1.00 20.35 C ATOM 983 O ALA A2073 8.440 -5.953 -4.896 1.00 11.12 O ATOM 984 CB ALA A2073 6.915 -8.976 -4.555 1.00 14.44 C ATOM 0 H ALA A2073 8.022 -9.474 -2.409 1.00 31.32 H new ATOM 0 HA ALA A2073 8.951 -8.383 -4.734 1.00 32.14 H new ATOM 0 HB1 ALA A2073 6.667 -8.664 -5.569 1.00 14.44 H new ATOM 0 HB2 ALA A2073 7.154 -10.039 -4.551 1.00 14.44 H new ATOM 0 HB3 ALA A2073 6.063 -8.794 -3.900 1.00 14.44 H new ATOM 990 N TYR A2074 7.022 -6.233 -3.156 1.00 44.03 N ATOM 991 CA TYR A2074 6.690 -4.821 -3.057 1.00 71.41 C ATOM 992 C TYR A2074 7.518 -4.139 -1.965 1.00 23.45 C ATOM 993 O TYR A2074 7.584 -2.912 -1.908 1.00 73.41 O ATOM 994 CB TYR A2074 5.210 -4.763 -2.669 1.00 53.20 C ATOM 995 CG TYR A2074 4.297 -5.588 -3.577 1.00 62.24 C ATOM 996 CD1 TYR A2074 4.375 -5.447 -4.947 1.00 42.32 C ATOM 997 CD2 TYR A2074 3.392 -6.472 -3.025 1.00 22.33 C ATOM 998 CE1 TYR A2074 3.516 -6.222 -5.803 1.00 74.51 C ATOM 999 CE2 TYR A2074 2.530 -7.249 -3.880 1.00 51.32 C ATOM 1000 CZ TYR A2074 2.634 -7.085 -5.226 1.00 3.23 C ATOM 1001 OH TYR A2074 1.821 -7.817 -6.033 1.00 2.12 O ATOM 0 H TYR A2074 6.553 -6.831 -2.476 1.00 44.03 H new ATOM 0 HA TYR A2074 6.897 -4.310 -3.998 1.00 71.41 H new ATOM 0 HB2 TYR A2074 5.100 -5.115 -1.643 1.00 53.20 H new ATOM 0 HB3 TYR A2074 4.881 -3.724 -2.687 1.00 53.20 H new ATOM 0 HD1 TYR A2074 5.082 -4.754 -5.378 1.00 42.32 H new ATOM 0 HD2 TYR A2074 3.330 -6.582 -1.952 1.00 22.33 H new ATOM 0 HE1 TYR A2074 3.569 -6.122 -6.877 1.00 74.51 H new ATOM 0 HE2 TYR A2074 1.818 -7.945 -3.461 1.00 51.32 H new ATOM 0 HH TYR A2074 1.245 -8.390 -5.485 1.00 2.12 H new ATOM 1011 N GLY A2075 8.129 -4.964 -1.130 1.00 13.52 N ATOM 1012 CA GLY A2075 8.950 -4.455 -0.043 1.00 4.33 C ATOM 1013 C GLY A2075 9.833 -3.299 -0.519 1.00 74.34 C ATOM 1014 O GLY A2075 10.180 -2.416 0.265 1.00 61.43 O ATOM 0 H GLY A2075 8.073 -5.981 -1.183 1.00 13.52 H new ATOM 0 HA2 GLY A2075 8.311 -4.117 0.773 1.00 4.33 H new ATOM 0 HA3 GLY A2075 9.575 -5.256 0.352 1.00 4.33 H new ATOM 1018 N ARG A2076 10.168 -3.341 -1.799 1.00 14.41 N ATOM 1019 CA ARG A2076 11.004 -2.307 -2.388 1.00 73.42 C ATOM 1020 C ARG A2076 10.171 -1.057 -2.681 1.00 55.12 C ATOM 1021 O ARG A2076 10.593 0.060 -2.381 1.00 13.41 O ATOM 1022 CB ARG A2076 11.652 -2.795 -3.684 1.00 53.14 C ATOM 1023 CG ARG A2076 10.597 -3.050 -4.764 1.00 10.34 C ATOM 1024 CD ARG A2076 11.199 -3.809 -5.948 1.00 21.42 C ATOM 1025 NE ARG A2076 11.996 -2.885 -6.787 1.00 43.52 N ATOM 1026 CZ ARG A2076 13.302 -2.610 -6.581 1.00 30.52 C ATOM 1027 NH1 ARG A2076 13.970 -3.187 -5.558 1.00 65.23 N ATOM 1028 NH2 ARG A2076 13.915 -1.769 -7.392 1.00 21.50 N ATOM 0 H ARG A2076 9.877 -4.074 -2.446 1.00 14.41 H new ATOM 0 HA ARG A2076 11.789 -2.066 -1.672 1.00 73.42 H new ATOM 0 HB2 ARG A2076 12.368 -2.053 -4.038 1.00 53.14 H new ATOM 0 HB3 ARG A2076 12.210 -3.711 -3.493 1.00 53.14 H new ATOM 0 HG2 ARG A2076 9.771 -3.622 -4.343 1.00 10.34 H new ATOM 0 HG3 ARG A2076 10.185 -2.101 -5.107 1.00 10.34 H new ATOM 0 HD2 ARG A2076 11.829 -4.622 -5.587 1.00 21.42 H new ATOM 0 HD3 ARG A2076 10.405 -4.261 -6.543 1.00 21.42 H new ATOM 0 HE ARG A2076 11.529 -2.427 -7.570 1.00 43.52 H new ATOM 0 HH11 ARG A2076 13.488 -3.835 -4.935 1.00 65.23 H new ATOM 0 HH12 ARG A2076 14.956 -2.974 -5.409 1.00 65.23 H new ATOM 0 HH21 ARG A2076 13.403 -1.337 -8.161 1.00 21.50 H new ATOM 0 HH22 ARG A2076 14.901 -1.551 -7.250 1.00 21.50 H new ATOM 1040 N ASP A2077 9.003 -1.284 -3.266 1.00 42.00 N ATOM 1041 CA ASP A2077 8.109 -0.191 -3.602 1.00 61.21 C ATOM 1042 C ASP A2077 7.649 0.501 -2.318 1.00 2.53 C ATOM 1043 O ASP A2077 7.830 1.706 -2.159 1.00 54.22 O ATOM 1044 CB ASP A2077 6.868 -0.702 -4.335 1.00 24.30 C ATOM 1045 CG ASP A2077 7.145 -1.407 -5.666 1.00 62.13 C ATOM 1046 OD1 ASP A2077 7.244 -0.763 -6.721 1.00 21.24 O ATOM 1047 OD2 ASP A2077 7.263 -2.688 -5.589 1.00 14.02 O ATOM 0 H ASP A2077 8.656 -2.210 -3.515 1.00 42.00 H new ATOM 0 HA ASP A2077 8.650 0.501 -4.247 1.00 61.21 H new ATOM 0 HB2 ASP A2077 6.336 -1.392 -3.680 1.00 24.30 H new ATOM 0 HB3 ASP A2077 6.201 0.140 -4.519 1.00 24.30 H new ATOM 1053 N LEU A2078 7.063 -0.294 -1.434 1.00 24.01 N ATOM 1054 CA LEU A2078 6.575 0.226 -0.168 1.00 74.33 C ATOM 1055 C LEU A2078 7.688 1.025 0.514 1.00 70.51 C ATOM 1056 O LEU A2078 7.451 2.118 1.024 1.00 44.10 O ATOM 1057 CB LEU A2078 6.011 -0.903 0.695 1.00 20.12 C ATOM 1058 CG LEU A2078 4.602 -1.384 0.337 1.00 40.24 C ATOM 1059 CD1 LEU A2078 4.577 -2.014 -1.058 1.00 74.52 C ATOM 1060 CD2 LEU A2078 4.058 -2.332 1.405 1.00 41.22 C ATOM 0 H LEU A2078 6.915 -1.294 -1.570 1.00 24.01 H new ATOM 0 HA LEU A2078 5.745 0.913 -0.334 1.00 74.33 H new ATOM 0 HB2 LEU A2078 6.690 -1.754 0.634 1.00 20.12 H new ATOM 0 HB3 LEU A2078 6.007 -0.572 1.734 1.00 20.12 H new ATOM 0 HG LEU A2078 3.941 -0.518 0.311 1.00 40.24 H new ATOM 0 HD11 LEU A2078 3.565 -2.348 -1.289 1.00 74.52 H new ATOM 0 HD12 LEU A2078 4.893 -1.277 -1.796 1.00 74.52 H new ATOM 0 HD13 LEU A2078 5.255 -2.867 -1.084 1.00 74.52 H new ATOM 0 HD21 LEU A2078 3.056 -2.658 1.126 1.00 41.22 H new ATOM 0 HD22 LEU A2078 4.712 -3.200 1.489 1.00 41.22 H new ATOM 0 HD23 LEU A2078 4.017 -1.815 2.364 1.00 41.22 H new ATOM 1072 N MET A2079 8.880 0.446 0.500 1.00 71.15 N ATOM 1073 CA MET A2079 10.032 1.089 1.111 1.00 22.41 C ATOM 1074 C MET A2079 10.218 2.507 0.571 1.00 71.41 C ATOM 1075 O MET A2079 10.354 3.455 1.340 1.00 41.44 O ATOM 1076 CB MET A2079 11.288 0.264 0.825 1.00 31.41 C ATOM 1077 CG MET A2079 11.535 -0.760 1.935 1.00 63.22 C ATOM 1078 SD MET A2079 12.091 0.067 3.416 1.00 52.53 S ATOM 1079 CE MET A2079 13.766 0.464 2.940 1.00 33.30 C ATOM 0 H MET A2079 9.073 -0.461 0.075 1.00 71.15 H new ATOM 0 HA MET A2079 9.864 1.149 2.186 1.00 22.41 H new ATOM 0 HB2 MET A2079 11.181 -0.249 -0.131 1.00 31.41 H new ATOM 0 HB3 MET A2079 12.150 0.925 0.737 1.00 31.41 H new ATOM 0 HG2 MET A2079 10.619 -1.314 2.140 1.00 63.22 H new ATOM 0 HG3 MET A2079 12.281 -1.486 1.612 1.00 63.22 H new ATOM 0 HE1 MET A2079 14.415 0.410 3.814 1.00 33.30 H new ATOM 0 HE2 MET A2079 14.109 -0.247 2.188 1.00 33.30 H new ATOM 0 HE3 MET A2079 13.798 1.472 2.527 1.00 33.30 H new ATOM 1089 N GLU A2080 10.216 2.608 -0.752 1.00 30.24 N ATOM 1090 CA GLU A2080 10.383 3.895 -1.404 1.00 54.51 C ATOM 1091 C GLU A2080 9.132 4.754 -1.211 1.00 33.01 C ATOM 1092 O GLU A2080 9.229 5.930 -0.862 1.00 2.41 O ATOM 1093 CB GLU A2080 10.704 3.719 -2.890 1.00 62.13 C ATOM 1094 CG GLU A2080 10.911 5.072 -3.571 1.00 72.13 C ATOM 1095 CD GLU A2080 11.738 4.923 -4.849 1.00 13.22 C ATOM 1096 OE1 GLU A2080 11.507 3.990 -5.631 1.00 40.10 O ATOM 1097 OE2 GLU A2080 12.650 5.820 -5.016 1.00 54.45 O ATOM 0 H GLU A2080 10.101 1.819 -1.388 1.00 30.24 H new ATOM 0 HA GLU A2080 11.227 4.408 -0.942 1.00 54.51 H new ATOM 0 HB2 GLU A2080 11.601 3.111 -3.002 1.00 62.13 H new ATOM 0 HB3 GLU A2080 9.892 3.182 -3.380 1.00 62.13 H new ATOM 0 HG2 GLU A2080 9.944 5.515 -3.809 1.00 72.13 H new ATOM 0 HG3 GLU A2080 11.414 5.755 -2.886 1.00 72.13 H new ATOM 1105 N ALA A2081 7.985 4.135 -1.448 1.00 10.12 N ATOM 1106 CA ALA A2081 6.717 4.829 -1.304 1.00 23.44 C ATOM 1107 C ALA A2081 6.637 5.453 0.089 1.00 73.02 C ATOM 1108 O ALA A2081 6.223 6.603 0.236 1.00 0.13 O ATOM 1109 CB ALA A2081 5.569 3.853 -1.572 1.00 72.51 C ATOM 0 H ALA A2081 7.907 3.160 -1.739 1.00 10.12 H new ATOM 0 HA ALA A2081 6.637 5.637 -2.032 1.00 23.44 H new ATOM 0 HB1 ALA A2081 4.617 4.373 -1.464 1.00 72.51 H new ATOM 0 HB2 ALA A2081 5.655 3.459 -2.585 1.00 72.51 H new ATOM 0 HB3 ALA A2081 5.616 3.031 -0.858 1.00 72.51 H new ATOM 1115 N GLN A2082 7.038 4.668 1.079 1.00 42.03 N ATOM 1116 CA GLN A2082 7.017 5.129 2.457 1.00 45.31 C ATOM 1117 C GLN A2082 7.967 6.317 2.633 1.00 2.25 C ATOM 1118 O GLN A2082 7.662 7.256 3.364 1.00 13.04 O ATOM 1119 CB GLN A2082 7.371 3.996 3.421 1.00 31.14 C ATOM 1120 CG GLN A2082 7.411 4.497 4.866 1.00 22.12 C ATOM 1121 CD GLN A2082 6.271 3.891 5.688 1.00 4.14 C ATOM 1122 OE1 GLN A2082 6.410 2.857 6.321 1.00 73.33 O ATOM 1123 NE2 GLN A2082 5.140 4.590 5.642 1.00 23.13 N ATOM 0 H GLN A2082 7.380 3.715 0.954 1.00 42.03 H new ATOM 0 HA GLN A2082 6.005 5.459 2.694 1.00 45.31 H new ATOM 0 HB2 GLN A2082 6.638 3.195 3.331 1.00 31.14 H new ATOM 0 HB3 GLN A2082 8.339 3.574 3.152 1.00 31.14 H new ATOM 0 HG2 GLN A2082 8.368 4.238 5.318 1.00 22.12 H new ATOM 0 HG3 GLN A2082 7.336 5.584 4.880 1.00 22.12 H new ATOM 0 HE21 GLN A2082 5.093 5.448 5.092 1.00 23.13 H new ATOM 0 HE22 GLN A2082 4.320 4.268 6.157 1.00 23.13 H new ATOM 1132 N GLU A2083 9.101 6.233 1.951 1.00 64.40 N ATOM 1133 CA GLU A2083 10.096 7.290 2.023 1.00 4.44 C ATOM 1134 C GLU A2083 9.508 8.610 1.522 1.00 52.30 C ATOM 1135 O GLU A2083 9.819 9.673 2.057 1.00 20.21 O ATOM 1136 CB GLU A2083 11.351 6.912 1.232 1.00 74.33 C ATOM 1137 CG GLU A2083 11.639 7.942 0.137 1.00 32.35 C ATOM 1138 CD GLU A2083 12.933 7.604 -0.606 1.00 21.42 C ATOM 1139 OE1 GLU A2083 14.027 7.757 -0.047 1.00 21.44 O ATOM 1140 OE2 GLU A2083 12.771 7.167 -1.810 1.00 21.31 O ATOM 0 H GLU A2083 9.352 5.450 1.347 1.00 64.40 H new ATOM 0 HA GLU A2083 10.387 7.420 3.065 1.00 4.44 H new ATOM 0 HB2 GLU A2083 12.204 6.845 1.907 1.00 74.33 H new ATOM 0 HB3 GLU A2083 11.220 5.927 0.784 1.00 74.33 H new ATOM 0 HG2 GLU A2083 10.808 7.971 -0.568 1.00 32.35 H new ATOM 0 HG3 GLU A2083 11.718 8.935 0.579 1.00 32.35 H new ATOM 1148 N TRP A2084 8.671 8.498 0.502 1.00 33.31 N ATOM 1149 CA TRP A2084 8.036 9.672 -0.077 1.00 23.01 C ATOM 1150 C TRP A2084 6.919 10.119 0.867 1.00 33.01 C ATOM 1151 O TRP A2084 6.544 11.291 0.880 1.00 2.33 O ATOM 1152 CB TRP A2084 7.540 9.382 -1.495 1.00 31.04 C ATOM 1153 CG TRP A2084 8.657 9.098 -2.500 1.00 50.31 C ATOM 1154 CD1 TRP A2084 9.075 7.909 -2.956 1.00 31.02 C ATOM 1155 CD2 TRP A2084 9.491 10.075 -3.157 1.00 5.44 C ATOM 1156 NE1 TRP A2084 10.110 8.047 -3.857 1.00 12.33 N ATOM 1157 CE2 TRP A2084 10.372 9.407 -3.984 1.00 53.44 C ATOM 1158 CE3 TRP A2084 9.500 11.478 -3.059 1.00 12.24 C ATOM 1159 CZ2 TRP A2084 11.327 10.058 -4.774 1.00 71.02 C ATOM 1160 CZ3 TRP A2084 10.461 12.114 -3.855 1.00 41.11 C ATOM 1161 CH2 TRP A2084 11.354 11.455 -4.691 1.00 64.23 C ATOM 0 H TRP A2084 8.417 7.614 0.061 1.00 33.31 H new ATOM 0 HA TRP A2084 8.752 10.488 -0.179 1.00 23.01 H new ATOM 0 HB2 TRP A2084 6.866 8.526 -1.465 1.00 31.04 H new ATOM 0 HB3 TRP A2084 6.957 10.234 -1.846 1.00 31.04 H new ATOM 0 HD1 TRP A2084 8.654 6.961 -2.655 1.00 31.02 H new ATOM 0 HE1 TRP A2084 10.594 7.291 -4.341 1.00 12.33 H new ATOM 0 HE3 TRP A2084 8.820 12.022 -2.420 1.00 12.24 H new ATOM 0 HZ2 TRP A2084 12.006 9.512 -5.413 1.00 71.02 H new ATOM 0 HZ3 TRP A2084 10.511 13.192 -3.816 1.00 41.11 H new ATOM 0 HH2 TRP A2084 12.067 12.019 -5.275 1.00 64.23 H new ATOM 1172 N CYS A2085 6.418 9.162 1.636 1.00 53.23 N ATOM 1173 CA CYS A2085 5.353 9.444 2.582 1.00 70.12 C ATOM 1174 C CYS A2085 5.933 10.276 3.729 1.00 32.42 C ATOM 1175 O CYS A2085 5.482 11.391 3.981 1.00 61.52 O ATOM 1176 CB CYS A2085 4.691 8.160 3.088 1.00 32.01 C ATOM 1177 SG CYS A2085 3.762 8.500 4.627 1.00 35.54 S ATOM 0 H CYS A2085 6.731 8.191 1.622 1.00 53.23 H new ATOM 0 HA CYS A2085 4.566 10.011 2.086 1.00 70.12 H new ATOM 0 HB2 CYS A2085 4.018 7.764 2.327 1.00 32.01 H new ATOM 0 HB3 CYS A2085 5.449 7.398 3.272 1.00 32.01 H new ATOM 0 HG CYS A2085 2.502 8.655 4.348 1.00 35.54 H new ATOM 1183 N ARG A2086 6.925 9.701 4.391 1.00 42.30 N ATOM 1184 CA ARG A2086 7.573 10.375 5.503 1.00 15.01 C ATOM 1185 C ARG A2086 8.307 11.624 5.012 1.00 13.25 C ATOM 1186 O ARG A2086 8.463 12.589 5.758 1.00 41.45 O ATOM 1187 CB ARG A2086 8.568 9.448 6.205 1.00 73.14 C ATOM 1188 CG ARG A2086 9.827 9.252 5.356 1.00 70.35 C ATOM 1189 CD ARG A2086 10.303 7.799 5.409 1.00 73.43 C ATOM 1190 NE ARG A2086 11.675 7.696 4.868 1.00 12.21 N ATOM 1191 CZ ARG A2086 12.538 6.703 5.176 1.00 52.14 C ATOM 1192 NH1 ARG A2086 12.175 5.718 6.024 1.00 72.42 N ATOM 1193 NH2 ARG A2086 13.743 6.711 4.636 1.00 54.33 N ATOM 0 H ARG A2086 7.296 8.775 4.179 1.00 42.30 H new ATOM 0 HA ARG A2086 6.798 10.662 6.214 1.00 15.01 H new ATOM 0 HB2 ARG A2086 8.840 9.867 7.174 1.00 73.14 H new ATOM 0 HB3 ARG A2086 8.099 8.483 6.395 1.00 73.14 H new ATOM 0 HG2 ARG A2086 9.621 9.534 4.323 1.00 70.35 H new ATOM 0 HG3 ARG A2086 10.618 9.911 5.714 1.00 70.35 H new ATOM 0 HD2 ARG A2086 10.281 7.438 6.437 1.00 73.43 H new ATOM 0 HD3 ARG A2086 9.628 7.165 4.834 1.00 73.43 H new ATOM 0 HE ARG A2086 11.990 8.420 4.222 1.00 12.21 H new ATOM 0 HH11 ARG A2086 11.243 5.719 6.438 1.00 72.42 H new ATOM 0 HH12 ARG A2086 12.833 4.972 6.251 1.00 72.42 H new ATOM 0 HH21 ARG A2086 14.010 7.459 3.997 1.00 54.33 H new ATOM 0 HH22 ARG A2086 14.406 5.969 4.858 1.00 54.33 H new ATOM 1205 N LYS A2087 8.739 11.563 3.762 1.00 2.21 N ATOM 1206 CA LYS A2087 9.454 12.677 3.162 1.00 71.13 C ATOM 1207 C LYS A2087 8.490 13.850 2.965 1.00 35.32 C ATOM 1208 O LYS A2087 8.866 15.006 3.157 1.00 75.20 O ATOM 1209 CB LYS A2087 10.154 12.235 1.876 1.00 43.14 C ATOM 1210 CG LYS A2087 10.723 13.438 1.120 1.00 44.14 C ATOM 1211 CD LYS A2087 9.774 13.884 0.005 1.00 43.34 C ATOM 1212 CE LYS A2087 10.546 14.192 -1.280 1.00 21.50 C ATOM 1213 NZ LYS A2087 11.078 15.572 -1.246 1.00 1.41 N ATOM 0 H LYS A2087 8.608 10.760 3.147 1.00 2.21 H new ATOM 0 HA LYS A2087 10.246 13.022 3.826 1.00 71.13 H new ATOM 0 HB2 LYS A2087 10.957 11.539 2.116 1.00 43.14 H new ATOM 0 HB3 LYS A2087 9.449 11.701 1.239 1.00 43.14 H new ATOM 0 HG2 LYS A2087 10.888 14.263 1.813 1.00 44.14 H new ATOM 0 HG3 LYS A2087 11.693 13.179 0.695 1.00 44.14 H new ATOM 0 HD2 LYS A2087 9.039 13.102 -0.186 1.00 43.34 H new ATOM 0 HD3 LYS A2087 9.223 14.769 0.324 1.00 43.34 H new ATOM 0 HE2 LYS A2087 11.365 13.483 -1.398 1.00 21.50 H new ATOM 0 HE3 LYS A2087 9.891 14.069 -2.143 1.00 21.50 H new ATOM 0 HZ1 LYS A2087 11.749 15.705 -2.029 1.00 1.41 H new ATOM 0 HZ2 LYS A2087 10.294 16.249 -1.343 1.00 1.41 H new ATOM 0 HZ3 LYS A2087 11.565 15.734 -0.342 1.00 1.41 H new ATOM 1226 N TYR A2088 7.266 13.510 2.586 1.00 41.54 N ATOM 1227 CA TYR A2088 6.246 14.520 2.363 1.00 61.15 C ATOM 1228 C TYR A2088 5.714 15.067 3.690 1.00 23.44 C ATOM 1229 O TYR A2088 5.441 16.261 3.808 1.00 14.02 O ATOM 1230 CB TYR A2088 5.109 13.813 1.623 1.00 63.32 C ATOM 1231 CG TYR A2088 3.714 14.328 1.988 1.00 44.04 C ATOM 1232 CD1 TYR A2088 3.118 13.930 3.168 1.00 42.24 C ATOM 1233 CD2 TYR A2088 3.053 15.190 1.137 1.00 75.44 C ATOM 1234 CE1 TYR A2088 1.807 14.414 3.512 1.00 61.34 C ATOM 1235 CE2 TYR A2088 1.740 15.674 1.481 1.00 52.35 C ATOM 1236 CZ TYR A2088 1.183 15.264 2.650 1.00 34.11 C ATOM 1237 OH TYR A2088 -0.057 15.721 2.975 1.00 5.20 O ATOM 0 H TYR A2088 6.959 12.550 2.428 1.00 41.54 H new ATOM 0 HA TYR A2088 6.654 15.359 1.800 1.00 61.15 H new ATOM 0 HB2 TYR A2088 5.259 13.930 0.550 1.00 63.32 H new ATOM 0 HB3 TYR A2088 5.158 12.745 1.837 1.00 63.32 H new ATOM 0 HD1 TYR A2088 3.636 13.255 3.833 1.00 42.24 H new ATOM 0 HD2 TYR A2088 3.519 15.502 0.214 1.00 75.44 H new ATOM 0 HE1 TYR A2088 1.329 14.110 4.432 1.00 61.34 H new ATOM 0 HE2 TYR A2088 1.211 16.348 0.824 1.00 52.35 H new ATOM 0 HH TYR A2088 -0.048 16.069 3.891 1.00 5.20 H new ATOM 1247 N MET A2089 5.583 14.168 4.652 1.00 23.32 N ATOM 1248 CA MET A2089 5.089 14.545 5.965 1.00 33.15 C ATOM 1249 C MET A2089 6.081 15.464 6.681 1.00 34.32 C ATOM 1250 O MET A2089 5.678 16.356 7.429 1.00 32.34 O ATOM 1251 CB MET A2089 4.862 13.286 6.808 1.00 62.41 C ATOM 1252 CG MET A2089 3.654 12.498 6.296 1.00 63.31 C ATOM 1253 SD MET A2089 2.878 11.626 7.648 1.00 32.40 S ATOM 1254 CE MET A2089 1.161 11.935 7.270 1.00 1.52 C ATOM 0 H MET A2089 5.810 13.179 4.549 1.00 23.32 H new ATOM 0 HA MET A2089 4.149 15.083 5.837 1.00 33.15 H new ATOM 0 HB2 MET A2089 5.752 12.657 6.777 1.00 62.41 H new ATOM 0 HB3 MET A2089 4.705 13.564 7.850 1.00 62.41 H new ATOM 0 HG2 MET A2089 2.938 13.175 5.830 1.00 63.31 H new ATOM 0 HG3 MET A2089 3.969 11.791 5.529 1.00 63.31 H new ATOM 0 HE1 MET A2089 0.728 12.574 8.040 1.00 1.52 H new ATOM 0 HE2 MET A2089 1.085 12.430 6.302 1.00 1.52 H new ATOM 0 HE3 MET A2089 0.620 10.989 7.237 1.00 1.52 H new ATOM 1264 N LYS A2090 7.358 15.215 6.430 1.00 24.43 N ATOM 1265 CA LYS A2090 8.410 16.010 7.040 1.00 64.53 C ATOM 1266 C LYS A2090 8.722 17.209 6.143 1.00 72.24 C ATOM 1267 O LYS A2090 9.010 18.300 6.636 1.00 21.25 O ATOM 1268 CB LYS A2090 9.629 15.139 7.350 1.00 64.11 C ATOM 1269 CG LYS A2090 10.159 15.418 8.758 1.00 4.04 C ATOM 1270 CD LYS A2090 10.846 16.782 8.825 1.00 13.31 C ATOM 1271 CE LYS A2090 10.466 17.525 10.108 1.00 72.31 C ATOM 1272 NZ LYS A2090 11.679 17.876 10.881 1.00 61.45 N ATOM 0 H LYS A2090 7.688 14.474 5.812 1.00 24.43 H new ATOM 0 HA LYS A2090 8.080 16.407 8.000 1.00 64.53 H new ATOM 0 HB2 LYS A2090 9.360 14.086 7.261 1.00 64.11 H new ATOM 0 HB3 LYS A2090 10.413 15.331 6.618 1.00 64.11 H new ATOM 0 HG2 LYS A2090 9.337 15.386 9.473 1.00 4.04 H new ATOM 0 HG3 LYS A2090 10.863 14.638 9.047 1.00 4.04 H new ATOM 0 HD2 LYS A2090 11.927 16.651 8.783 1.00 13.31 H new ATOM 0 HD3 LYS A2090 10.563 17.379 7.958 1.00 13.31 H new ATOM 0 HE2 LYS A2090 9.910 18.430 9.861 1.00 72.31 H new ATOM 0 HE3 LYS A2090 9.808 16.903 10.715 1.00 72.31 H new ATOM 0 HZ1 LYS A2090 11.404 18.380 11.748 1.00 61.45 H new ATOM 0 HZ2 LYS A2090 12.193 17.008 11.133 1.00 61.45 H new ATOM 0 HZ3 LYS A2090 12.293 18.487 10.305 1.00 61.45 H new ATOM 1285 N SER A2091 8.655 16.969 4.843 1.00 34.24 N ATOM 1286 CA SER A2091 8.928 18.016 3.872 1.00 24.22 C ATOM 1287 C SER A2091 7.634 18.750 3.518 1.00 4.33 C ATOM 1288 O SER A2091 7.437 19.896 3.915 1.00 43.32 O ATOM 1289 CB SER A2091 9.577 17.442 2.611 1.00 25.34 C ATOM 1290 OG SER A2091 10.172 18.458 1.807 1.00 33.41 O ATOM 0 H SER A2091 8.415 16.064 4.438 1.00 34.24 H new ATOM 0 HA SER A2091 9.628 18.723 4.317 1.00 24.22 H new ATOM 0 HB2 SER A2091 10.336 16.713 2.894 1.00 25.34 H new ATOM 0 HB3 SER A2091 8.826 16.910 2.027 1.00 25.34 H new ATOM 0 HG SER A2091 10.577 18.051 1.013 1.00 33.41 H new ATOM 1296 N GLY A2092 6.785 18.058 2.771 1.00 34.35 N ATOM 1297 CA GLY A2092 5.514 18.629 2.359 1.00 42.52 C ATOM 1298 C GLY A2092 5.515 18.942 0.861 1.00 2.53 C ATOM 1299 O GLY A2092 6.040 19.972 0.438 1.00 32.31 O ATOM 0 H GLY A2092 6.953 17.108 2.441 1.00 34.35 H new ATOM 0 HA2 GLY A2092 4.707 17.933 2.589 1.00 42.52 H new ATOM 0 HA3 GLY A2092 5.320 19.540 2.925 1.00 42.52 H new ATOM 1303 N ASN A2093 4.922 18.035 0.099 1.00 61.44 N ATOM 1304 CA ASN A2093 4.848 18.202 -1.343 1.00 54.00 C ATOM 1305 C ASN A2093 3.879 17.168 -1.922 1.00 41.33 C ATOM 1306 O ASN A2093 4.126 15.966 -1.842 1.00 13.04 O ATOM 1307 CB ASN A2093 6.216 17.983 -1.993 1.00 21.24 C ATOM 1308 CG ASN A2093 6.553 19.123 -2.957 1.00 33.12 C ATOM 1309 OD1 ASN A2093 5.688 19.818 -3.462 1.00 45.13 O ATOM 1310 ND2 ASN A2093 7.854 19.274 -3.179 1.00 44.23 N ATOM 0 H ASN A2093 4.488 17.182 0.453 1.00 61.44 H new ATOM 0 HA ASN A2093 4.509 19.217 -1.549 1.00 54.00 H new ATOM 0 HB2 ASN A2093 6.983 17.916 -1.221 1.00 21.24 H new ATOM 0 HB3 ASN A2093 6.220 17.034 -2.530 1.00 21.24 H new ATOM 0 HD21 ASN A2093 8.182 20.008 -3.806 1.00 44.23 H new ATOM 0 HD22 ASN A2093 8.524 18.656 -2.722 1.00 44.23 H new ATOM 1317 N VAL A2094 2.795 17.675 -2.492 1.00 0.30 N ATOM 1318 CA VAL A2094 1.788 16.811 -3.083 1.00 34.20 C ATOM 1319 C VAL A2094 2.450 15.888 -4.107 1.00 43.33 C ATOM 1320 O VAL A2094 2.112 14.709 -4.196 1.00 3.14 O ATOM 1321 CB VAL A2094 0.660 17.656 -3.681 1.00 31.02 C ATOM 1322 CG1 VAL A2094 1.028 18.145 -5.083 1.00 62.32 C ATOM 1323 CG2 VAL A2094 -0.657 16.879 -3.699 1.00 12.03 C ATOM 0 H VAL A2094 2.593 18.673 -2.557 1.00 0.30 H new ATOM 0 HA VAL A2094 1.334 16.177 -2.321 1.00 34.20 H new ATOM 0 HB VAL A2094 0.523 18.531 -3.046 1.00 31.02 H new ATOM 0 HG11 VAL A2094 0.211 18.743 -5.486 1.00 62.32 H new ATOM 0 HG12 VAL A2094 1.931 18.753 -5.031 1.00 62.32 H new ATOM 0 HG13 VAL A2094 1.205 17.288 -5.733 1.00 62.32 H new ATOM 0 HG21 VAL A2094 -1.441 17.502 -4.129 1.00 12.03 H new ATOM 0 HG22 VAL A2094 -0.539 15.978 -4.301 1.00 12.03 H new ATOM 0 HG23 VAL A2094 -0.930 16.602 -2.681 1.00 12.03 H new ATOM 1333 N LYS A2095 3.384 16.459 -4.854 1.00 35.04 N ATOM 1334 CA LYS A2095 4.098 15.701 -5.868 1.00 62.14 C ATOM 1335 C LYS A2095 4.675 14.433 -5.237 1.00 4.24 C ATOM 1336 O LYS A2095 4.524 13.342 -5.784 1.00 23.02 O ATOM 1337 CB LYS A2095 5.147 16.581 -6.552 1.00 60.24 C ATOM 1338 CG LYS A2095 5.792 15.848 -7.731 1.00 44.13 C ATOM 1339 CD LYS A2095 7.201 16.376 -8.001 1.00 42.44 C ATOM 1340 CE LYS A2095 8.256 15.478 -7.352 1.00 65.41 C ATOM 1341 NZ LYS A2095 9.361 15.207 -8.299 1.00 3.30 N ATOM 0 H LYS A2095 3.663 17.437 -4.777 1.00 35.04 H new ATOM 0 HA LYS A2095 3.418 15.383 -6.658 1.00 62.14 H new ATOM 0 HB2 LYS A2095 4.682 17.502 -6.902 1.00 60.24 H new ATOM 0 HB3 LYS A2095 5.914 16.865 -5.832 1.00 60.24 H new ATOM 0 HG2 LYS A2095 5.835 14.779 -7.520 1.00 44.13 H new ATOM 0 HG3 LYS A2095 5.176 15.973 -8.622 1.00 44.13 H new ATOM 0 HD2 LYS A2095 7.374 16.428 -9.076 1.00 42.44 H new ATOM 0 HD3 LYS A2095 7.294 17.391 -7.614 1.00 42.44 H new ATOM 0 HE2 LYS A2095 8.648 15.957 -6.455 1.00 65.41 H new ATOM 0 HE3 LYS A2095 7.800 14.539 -7.038 1.00 65.41 H new ATOM 0 HZ1 LYS A2095 10.068 14.596 -7.842 1.00 3.30 H new ATOM 0 HZ2 LYS A2095 8.985 14.730 -9.143 1.00 3.30 H new ATOM 0 HZ3 LYS A2095 9.807 16.104 -8.578 1.00 3.30 H new ATOM 1354 N ASP A2096 5.325 14.618 -4.099 1.00 42.10 N ATOM 1355 CA ASP A2096 5.926 13.501 -3.389 1.00 21.43 C ATOM 1356 C ASP A2096 4.820 12.590 -2.853 1.00 31.11 C ATOM 1357 O ASP A2096 4.988 11.373 -2.794 1.00 3.42 O ATOM 1358 CB ASP A2096 6.756 13.987 -2.200 1.00 45.35 C ATOM 1359 CG ASP A2096 7.774 15.083 -2.526 1.00 34.43 C ATOM 1360 OD1 ASP A2096 8.040 15.378 -3.699 1.00 63.23 O ATOM 1361 OD2 ASP A2096 8.308 15.652 -1.498 1.00 62.44 O ATOM 0 H ASP A2096 5.449 15.525 -3.650 1.00 42.10 H new ATOM 0 HA ASP A2096 6.572 12.967 -4.085 1.00 21.43 H new ATOM 0 HB2 ASP A2096 6.079 14.358 -1.431 1.00 45.35 H new ATOM 0 HB3 ASP A2096 7.286 13.135 -1.774 1.00 45.35 H new ATOM 1367 N LEU A2097 3.713 13.213 -2.476 1.00 51.22 N ATOM 1368 CA LEU A2097 2.581 12.474 -1.947 1.00 61.13 C ATOM 1369 C LEU A2097 2.016 11.562 -3.040 1.00 53.25 C ATOM 1370 O LEU A2097 1.813 10.370 -2.814 1.00 35.31 O ATOM 1371 CB LEU A2097 1.547 13.432 -1.351 1.00 24.03 C ATOM 1372 CG LEU A2097 0.220 12.802 -0.917 1.00 45.41 C ATOM 1373 CD1 LEU A2097 0.453 11.674 0.090 1.00 23.14 C ATOM 1374 CD2 LEU A2097 -0.741 13.863 -0.378 1.00 11.42 C ATOM 0 H LEU A2097 3.577 14.223 -2.527 1.00 51.22 H new ATOM 0 HA LEU A2097 2.897 11.831 -1.126 1.00 61.13 H new ATOM 0 HB2 LEU A2097 1.993 13.924 -0.487 1.00 24.03 H new ATOM 0 HB3 LEU A2097 1.335 14.209 -2.086 1.00 24.03 H new ATOM 0 HG LEU A2097 -0.251 12.358 -1.794 1.00 45.41 H new ATOM 0 HD11 LEU A2097 -0.505 11.243 0.382 1.00 23.14 H new ATOM 0 HD12 LEU A2097 1.074 10.902 -0.365 1.00 23.14 H new ATOM 0 HD13 LEU A2097 0.956 12.071 0.972 1.00 23.14 H new ATOM 0 HD21 LEU A2097 -1.675 13.389 -0.077 1.00 11.42 H new ATOM 0 HD22 LEU A2097 -0.291 14.357 0.483 1.00 11.42 H new ATOM 0 HD23 LEU A2097 -0.942 14.600 -1.155 1.00 11.42 H new ATOM 1386 N THR A2098 1.782 12.157 -4.199 1.00 33.12 N ATOM 1387 CA THR A2098 1.246 11.414 -5.327 1.00 73.42 C ATOM 1388 C THR A2098 2.190 10.274 -5.710 1.00 24.12 C ATOM 1389 O THR A2098 1.753 9.140 -5.905 1.00 55.34 O ATOM 1390 CB THR A2098 0.992 12.403 -6.467 1.00 13.22 C ATOM 1391 OG1 THR A2098 -0.189 13.094 -6.070 1.00 63.31 O ATOM 1392 CG2 THR A2098 0.596 11.705 -7.769 1.00 14.53 C ATOM 0 H THR A2098 1.954 13.146 -4.382 1.00 33.12 H new ATOM 0 HA THR A2098 0.299 10.938 -5.074 1.00 73.42 H new ATOM 0 HB THR A2098 1.887 13.002 -6.634 1.00 13.22 H new ATOM 0 HG1 THR A2098 -0.425 13.757 -6.752 1.00 63.31 H new ATOM 0 HG21 THR A2098 0.427 12.451 -8.545 1.00 14.53 H new ATOM 0 HG22 THR A2098 1.396 11.033 -8.080 1.00 14.53 H new ATOM 0 HG23 THR A2098 -0.318 11.132 -7.611 1.00 14.53 H new ATOM 1400 N GLN A2099 3.467 10.613 -5.809 1.00 34.31 N ATOM 1401 CA GLN A2099 4.478 9.631 -6.165 1.00 22.44 C ATOM 1402 C GLN A2099 4.375 8.408 -5.252 1.00 25.22 C ATOM 1403 O GLN A2099 4.301 7.277 -5.729 1.00 70.33 O ATOM 1404 CB GLN A2099 5.879 10.242 -6.109 1.00 0.13 C ATOM 1405 CG GLN A2099 6.545 10.212 -7.486 1.00 15.13 C ATOM 1406 CD GLN A2099 7.282 11.523 -7.767 1.00 15.23 C ATOM 1407 OE1 GLN A2099 8.473 11.658 -7.537 1.00 73.01 O ATOM 1408 NE2 GLN A2099 6.511 12.480 -8.273 1.00 74.12 N ATOM 0 H GLN A2099 3.825 11.555 -5.649 1.00 34.31 H new ATOM 0 HA GLN A2099 4.299 9.309 -7.191 1.00 22.44 H new ATOM 0 HB2 GLN A2099 5.817 11.270 -5.753 1.00 0.13 H new ATOM 0 HB3 GLN A2099 6.491 9.693 -5.393 1.00 0.13 H new ATOM 0 HG2 GLN A2099 7.246 9.379 -7.537 1.00 15.13 H new ATOM 0 HG3 GLN A2099 5.791 10.042 -8.255 1.00 15.13 H new ATOM 0 HE21 GLN A2099 5.521 12.302 -8.442 1.00 74.12 H new ATOM 0 HE22 GLN A2099 6.909 13.393 -8.493 1.00 74.12 H new ATOM 1417 N ALA A2100 4.374 8.676 -3.955 1.00 31.21 N ATOM 1418 CA ALA A2100 4.282 7.612 -2.970 1.00 73.52 C ATOM 1419 C ALA A2100 3.057 6.746 -3.274 1.00 63.42 C ATOM 1420 O ALA A2100 3.159 5.522 -3.341 1.00 63.24 O ATOM 1421 CB ALA A2100 4.234 8.216 -1.566 1.00 72.10 C ATOM 0 H ALA A2100 4.435 9.616 -3.563 1.00 31.21 H new ATOM 0 HA ALA A2100 5.161 6.969 -3.018 1.00 73.52 H new ATOM 0 HB1 ALA A2100 4.165 7.417 -0.828 1.00 72.10 H new ATOM 0 HB2 ALA A2100 5.139 8.796 -1.388 1.00 72.10 H new ATOM 0 HB3 ALA A2100 3.363 8.866 -1.479 1.00 72.10 H new ATOM 1427 N TRP A2101 1.927 7.416 -3.449 1.00 21.21 N ATOM 1428 CA TRP A2101 0.684 6.723 -3.745 1.00 40.24 C ATOM 1429 C TRP A2101 0.885 5.923 -5.033 1.00 63.43 C ATOM 1430 O TRP A2101 0.318 4.843 -5.189 1.00 71.31 O ATOM 1431 CB TRP A2101 -0.484 7.707 -3.825 1.00 64.34 C ATOM 1432 CG TRP A2101 -1.585 7.455 -2.794 1.00 73.40 C ATOM 1433 CD1 TRP A2101 -2.054 8.298 -1.865 1.00 35.03 C ATOM 1434 CD2 TRP A2101 -2.338 6.237 -2.620 1.00 4.34 C ATOM 1435 NE1 TRP A2101 -3.052 7.715 -1.108 1.00 44.44 N ATOM 1436 CE2 TRP A2101 -3.229 6.421 -1.585 1.00 75.10 C ATOM 1437 CE3 TRP A2101 -2.269 5.016 -3.317 1.00 61.21 C ATOM 1438 CZ2 TRP A2101 -4.119 5.431 -1.151 1.00 34.13 C ATOM 1439 CZ3 TRP A2101 -3.165 4.037 -2.874 1.00 12.14 C ATOM 1440 CH2 TRP A2101 -4.068 4.207 -1.831 1.00 40.35 C ATOM 0 H TRP A2101 1.846 8.431 -3.392 1.00 21.21 H new ATOM 0 HA TRP A2101 0.426 6.031 -2.944 1.00 40.24 H new ATOM 0 HB2 TRP A2101 -0.102 8.719 -3.693 1.00 64.34 H new ATOM 0 HB3 TRP A2101 -0.918 7.658 -4.824 1.00 64.34 H new ATOM 0 HD1 TRP A2101 -1.697 9.308 -1.725 1.00 35.03 H new ATOM 0 HE1 TRP A2101 -3.564 8.152 -0.342 1.00 44.44 H new ATOM 0 HE3 TRP A2101 -1.578 4.848 -4.130 1.00 61.21 H new ATOM 0 HZ2 TRP A2101 -4.807 5.602 -0.336 1.00 34.13 H new ATOM 0 HZ3 TRP A2101 -3.154 3.082 -3.378 1.00 12.14 H new ATOM 0 HH2 TRP A2101 -4.727 3.400 -1.546 1.00 40.35 H new ATOM 1451 N ASP A2102 1.691 6.484 -5.922 1.00 64.20 N ATOM 1452 CA ASP A2102 1.971 5.837 -7.191 1.00 2.21 C ATOM 1453 C ASP A2102 2.600 4.466 -6.932 1.00 22.33 C ATOM 1454 O ASP A2102 2.155 3.461 -7.483 1.00 54.41 O ATOM 1455 CB ASP A2102 2.956 6.659 -8.024 1.00 54.31 C ATOM 1456 CG ASP A2102 2.661 6.697 -9.525 1.00 74.32 C ATOM 1457 OD1 ASP A2102 3.503 6.316 -10.351 1.00 73.20 O ATOM 1458 OD2 ASP A2102 1.494 7.147 -9.838 1.00 63.33 O ATOM 0 H ASP A2102 2.159 7.380 -5.788 1.00 64.20 H new ATOM 0 HA ASP A2102 1.031 5.742 -7.735 1.00 2.21 H new ATOM 0 HB2 ASP A2102 2.964 7.681 -7.645 1.00 54.31 H new ATOM 0 HB3 ASP A2102 3.958 6.256 -7.876 1.00 54.31 H new ATOM 1464 N LEU A2103 3.624 4.470 -6.091 1.00 15.41 N ATOM 1465 CA LEU A2103 4.319 3.241 -5.750 1.00 23.00 C ATOM 1466 C LEU A2103 3.312 2.226 -5.204 1.00 31.44 C ATOM 1467 O LEU A2103 3.240 1.096 -5.685 1.00 33.21 O ATOM 1468 CB LEU A2103 5.481 3.526 -4.799 1.00 41.11 C ATOM 1469 CG LEU A2103 6.740 4.117 -5.438 1.00 63.12 C ATOM 1470 CD1 LEU A2103 6.546 5.600 -5.763 1.00 52.55 C ATOM 1471 CD2 LEU A2103 7.967 3.880 -4.555 1.00 74.15 C ATOM 0 H LEU A2103 3.989 5.306 -5.635 1.00 15.41 H new ATOM 0 HA LEU A2103 4.769 2.800 -6.639 1.00 23.00 H new ATOM 0 HB2 LEU A2103 5.133 4.212 -4.027 1.00 41.11 H new ATOM 0 HB3 LEU A2103 5.753 2.596 -4.300 1.00 41.11 H new ATOM 0 HG LEU A2103 6.918 3.601 -6.381 1.00 63.12 H new ATOM 0 HD11 LEU A2103 7.455 5.995 -6.216 1.00 52.55 H new ATOM 0 HD12 LEU A2103 5.715 5.714 -6.459 1.00 52.55 H new ATOM 0 HD13 LEU A2103 6.330 6.148 -4.846 1.00 52.55 H new ATOM 0 HD21 LEU A2103 8.847 4.310 -5.033 1.00 74.15 H new ATOM 0 HD22 LEU A2103 7.814 4.352 -3.585 1.00 74.15 H new ATOM 0 HD23 LEU A2103 8.115 2.809 -4.418 1.00 74.15 H new ATOM 1483 N TYR A2104 2.561 2.666 -4.204 1.00 42.33 N ATOM 1484 CA TYR A2104 1.561 1.811 -3.588 1.00 12.40 C ATOM 1485 C TYR A2104 0.546 1.321 -4.621 1.00 34.15 C ATOM 1486 O TYR A2104 0.346 0.117 -4.776 1.00 24.43 O ATOM 1487 CB TYR A2104 0.842 2.681 -2.556 1.00 74.12 C ATOM 1488 CG TYR A2104 1.683 3.004 -1.320 1.00 54.51 C ATOM 1489 CD1 TYR A2104 2.450 2.020 -0.729 1.00 44.24 C ATOM 1490 CD2 TYR A2104 1.677 4.281 -0.793 1.00 4.03 C ATOM 1491 CE1 TYR A2104 3.241 2.325 0.434 1.00 55.43 C ATOM 1492 CE2 TYR A2104 2.469 4.587 0.368 1.00 73.22 C ATOM 1493 CZ TYR A2104 3.213 3.593 0.926 1.00 20.35 C ATOM 1494 OH TYR A2104 3.961 3.882 2.024 1.00 33.04 O ATOM 0 H TYR A2104 2.625 3.603 -3.806 1.00 42.33 H new ATOM 0 HA TYR A2104 2.029 0.933 -3.142 1.00 12.40 H new ATOM 0 HB2 TYR A2104 0.539 3.614 -3.031 1.00 74.12 H new ATOM 0 HB3 TYR A2104 -0.069 2.174 -2.240 1.00 74.12 H new ATOM 0 HD1 TYR A2104 2.456 1.021 -1.139 1.00 44.24 H new ATOM 0 HD2 TYR A2104 1.076 5.051 -1.254 1.00 4.03 H new ATOM 0 HE1 TYR A2104 3.844 1.563 0.906 1.00 55.43 H new ATOM 0 HE2 TYR A2104 2.473 5.582 0.787 1.00 73.22 H new ATOM 0 HH TYR A2104 3.843 4.826 2.261 1.00 33.04 H new ATOM 1504 N TYR A2105 -0.070 2.278 -5.298 1.00 32.22 N ATOM 1505 CA TYR A2105 -1.062 1.958 -6.311 1.00 2.32 C ATOM 1506 C TYR A2105 -0.535 0.895 -7.277 1.00 61.13 C ATOM 1507 O TYR A2105 -1.307 0.101 -7.814 1.00 40.52 O ATOM 1508 CB TYR A2105 -1.308 3.255 -7.086 1.00 14.03 C ATOM 1509 CG TYR A2105 -2.596 3.253 -7.911 1.00 71.20 C ATOM 1510 CD1 TYR A2105 -3.352 2.103 -8.006 1.00 23.31 C ATOM 1511 CD2 TYR A2105 -3.002 4.401 -8.558 1.00 44.35 C ATOM 1512 CE1 TYR A2105 -4.565 2.100 -8.784 1.00 51.35 C ATOM 1513 CE2 TYR A2105 -4.214 4.399 -9.335 1.00 60.11 C ATOM 1514 CZ TYR A2105 -4.935 3.249 -9.410 1.00 23.42 C ATOM 1515 OH TYR A2105 -6.081 3.247 -10.144 1.00 73.23 O ATOM 0 H TYR A2105 0.098 3.275 -5.165 1.00 32.22 H new ATOM 0 HA TYR A2105 -1.969 1.568 -5.850 1.00 2.32 H new ATOM 0 HB2 TYR A2105 -1.341 4.086 -6.382 1.00 14.03 H new ATOM 0 HB3 TYR A2105 -0.463 3.434 -7.751 1.00 14.03 H new ATOM 0 HD1 TYR A2105 -3.035 1.205 -7.497 1.00 23.31 H new ATOM 0 HD2 TYR A2105 -2.411 5.302 -8.482 1.00 44.35 H new ATOM 0 HE1 TYR A2105 -5.166 1.207 -8.868 1.00 51.35 H new ATOM 0 HE2 TYR A2105 -4.543 5.291 -9.847 1.00 60.11 H new ATOM 0 HH TYR A2105 -6.222 4.135 -10.533 1.00 73.23 H new ATOM 1525 N HIS A2106 0.776 0.913 -7.470 1.00 51.13 N ATOM 1526 CA HIS A2106 1.414 -0.040 -8.360 1.00 4.54 C ATOM 1527 C HIS A2106 1.349 -1.440 -7.748 1.00 54.41 C ATOM 1528 O HIS A2106 0.861 -2.376 -8.378 1.00 73.50 O ATOM 1529 CB HIS A2106 2.844 0.397 -8.691 1.00 73.12 C ATOM 1530 CG HIS A2106 3.347 -0.103 -10.022 1.00 24.52 C ATOM 1531 ND1 HIS A2106 4.314 -1.087 -10.136 1.00 14.25 N ATOM 1532 CD2 HIS A2106 3.009 0.252 -11.295 1.00 41.22 C ATOM 1533 CE1 HIS A2106 4.539 -1.305 -11.424 1.00 12.45 C ATOM 1534 NE2 HIS A2106 3.730 -0.473 -12.140 1.00 35.52 N ATOM 0 H HIS A2106 1.413 1.573 -7.025 1.00 51.13 H new ATOM 0 HA HIS A2106 0.877 -0.071 -9.308 1.00 4.54 H new ATOM 0 HB2 HIS A2106 2.891 1.486 -8.682 1.00 73.12 H new ATOM 0 HB3 HIS A2106 3.512 0.043 -7.906 1.00 73.12 H new ATOM 0 HD2 HIS A2106 2.277 0.998 -11.569 1.00 41.22 H new ATOM 0 HE1 HIS A2106 5.240 -2.017 -11.834 1.00 12.45 H new ATOM 0 HE2 HIS A2106 3.686 -0.417 -13.158 1.00 35.52 H new ATOM 1543 N VAL A2107 1.851 -1.539 -6.525 1.00 71.13 N ATOM 1544 CA VAL A2107 1.857 -2.809 -5.820 1.00 35.11 C ATOM 1545 C VAL A2107 0.414 -3.244 -5.549 1.00 13.31 C ATOM 1546 O VAL A2107 0.052 -4.394 -5.797 1.00 75.01 O ATOM 1547 CB VAL A2107 2.696 -2.696 -4.545 1.00 64.25 C ATOM 1548 CG1 VAL A2107 3.911 -1.792 -4.767 1.00 63.51 C ATOM 1549 CG2 VAL A2107 1.849 -2.200 -3.372 1.00 45.51 C ATOM 0 H VAL A2107 2.256 -0.760 -6.005 1.00 71.13 H new ATOM 0 HA VAL A2107 2.321 -3.583 -6.431 1.00 35.11 H new ATOM 0 HB VAL A2107 3.061 -3.692 -4.295 1.00 64.25 H new ATOM 0 HG11 VAL A2107 4.490 -1.728 -3.846 1.00 63.51 H new ATOM 0 HG12 VAL A2107 4.534 -2.207 -5.559 1.00 63.51 H new ATOM 0 HG13 VAL A2107 3.575 -0.795 -5.054 1.00 63.51 H new ATOM 0 HG21 VAL A2107 2.470 -2.129 -2.479 1.00 45.51 H new ATOM 0 HG22 VAL A2107 1.440 -1.218 -3.608 1.00 45.51 H new ATOM 0 HG23 VAL A2107 1.033 -2.899 -3.191 1.00 45.51 H new ATOM 1559 N PHE A2108 -0.368 -2.302 -5.044 1.00 61.42 N ATOM 1560 CA PHE A2108 -1.763 -2.573 -4.737 1.00 11.01 C ATOM 1561 C PHE A2108 -2.544 -2.929 -6.004 1.00 55.23 C ATOM 1562 O PHE A2108 -3.517 -3.678 -5.947 1.00 70.44 O ATOM 1563 CB PHE A2108 -2.345 -1.291 -4.136 1.00 3.23 C ATOM 1564 CG PHE A2108 -2.138 -1.163 -2.625 1.00 44.13 C ATOM 1565 CD1 PHE A2108 -0.925 -0.787 -2.137 1.00 35.23 C ATOM 1566 CD2 PHE A2108 -3.163 -1.424 -1.774 1.00 20.33 C ATOM 1567 CE1 PHE A2108 -0.732 -0.668 -0.734 1.00 23.45 C ATOM 1568 CE2 PHE A2108 -2.971 -1.304 -0.372 1.00 12.44 C ATOM 1569 CZ PHE A2108 -1.760 -0.929 0.118 1.00 0.21 C ATOM 0 H PHE A2108 -0.063 -1.350 -4.840 1.00 61.42 H new ATOM 0 HA PHE A2108 -1.836 -3.415 -4.049 1.00 11.01 H new ATOM 0 HB2 PHE A2108 -1.890 -0.432 -4.629 1.00 3.23 H new ATOM 0 HB3 PHE A2108 -3.413 -1.253 -4.351 1.00 3.23 H new ATOM 0 HD1 PHE A2108 -0.110 -0.579 -2.815 1.00 35.23 H new ATOM 0 HD2 PHE A2108 -4.125 -1.723 -2.163 1.00 20.33 H new ATOM 0 HE1 PHE A2108 0.230 -0.371 -0.344 1.00 23.45 H new ATOM 0 HE2 PHE A2108 -3.787 -1.511 0.305 1.00 12.44 H new ATOM 0 HZ PHE A2108 -1.614 -0.838 1.184 1.00 0.21 H new ATOM 1579 N ARG A2109 -2.088 -2.375 -7.118 1.00 42.45 N ATOM 1580 CA ARG A2109 -2.731 -2.624 -8.396 1.00 62.20 C ATOM 1581 C ARG A2109 -2.389 -4.030 -8.898 1.00 74.31 C ATOM 1582 O ARG A2109 -3.197 -4.665 -9.573 1.00 71.14 O ATOM 1583 CB ARG A2109 -2.295 -1.598 -9.442 1.00 52.24 C ATOM 1584 CG ARG A2109 -2.656 -2.065 -10.853 1.00 12.30 C ATOM 1585 CD ARG A2109 -2.282 -1.007 -11.895 1.00 42.41 C ATOM 1586 NE ARG A2109 -2.921 0.284 -11.557 1.00 52.41 N ATOM 1587 CZ ARG A2109 -2.581 1.466 -12.113 1.00 62.21 C ATOM 1588 NH1 ARG A2109 -1.601 1.530 -13.040 1.00 60.13 N ATOM 1589 NH2 ARG A2109 -3.218 2.558 -11.737 1.00 21.22 N ATOM 0 H ARG A2109 -1.280 -1.754 -7.161 1.00 42.45 H new ATOM 0 HA ARG A2109 -3.807 -2.539 -8.247 1.00 62.20 H new ATOM 0 HB2 ARG A2109 -2.774 -0.640 -9.239 1.00 52.24 H new ATOM 0 HB3 ARG A2109 -1.219 -1.437 -9.373 1.00 52.24 H new ATOM 0 HG2 ARG A2109 -2.138 -2.998 -11.075 1.00 12.30 H new ATOM 0 HG3 ARG A2109 -3.724 -2.273 -10.909 1.00 12.30 H new ATOM 0 HD2 ARG A2109 -1.199 -0.888 -11.932 1.00 42.41 H new ATOM 0 HD3 ARG A2109 -2.601 -1.332 -12.886 1.00 42.41 H new ATOM 0 HE ARG A2109 -3.665 0.281 -10.860 1.00 52.41 H new ATOM 0 HH11 ARG A2109 -1.112 0.681 -13.325 1.00 60.13 H new ATOM 0 HH12 ARG A2109 -1.350 2.427 -13.456 1.00 60.13 H new ATOM 0 HH21 ARG A2109 -3.956 2.502 -11.035 1.00 21.22 H new ATOM 0 HH22 ARG A2109 -2.972 3.459 -12.148 1.00 21.22 H new ATOM 1601 N ARG A2110 -1.191 -4.473 -8.546 1.00 50.05 N ATOM 1602 CA ARG A2110 -0.732 -5.790 -8.951 1.00 25.03 C ATOM 1603 C ARG A2110 -1.484 -6.877 -8.178 1.00 71.24 C ATOM 1604 O ARG A2110 -2.030 -7.803 -8.774 1.00 21.25 O ATOM 1605 CB ARG A2110 0.770 -5.950 -8.711 1.00 74.42 C ATOM 1606 CG ARG A2110 1.577 -5.159 -9.741 1.00 3.05 C ATOM 1607 CD ARG A2110 1.658 -5.912 -11.071 1.00 12.13 C ATOM 1608 NE ARG A2110 2.956 -6.615 -11.176 1.00 50.12 N ATOM 1609 CZ ARG A2110 3.225 -7.576 -12.084 1.00 11.40 C ATOM 1610 NH1 ARG A2110 2.285 -7.957 -12.976 1.00 3.15 N ATOM 1611 NH2 ARG A2110 4.420 -8.138 -12.089 1.00 52.13 N ATOM 0 H ARG A2110 -0.524 -3.943 -7.985 1.00 50.05 H new ATOM 0 HA ARG A2110 -0.930 -5.895 -10.018 1.00 25.03 H new ATOM 0 HB2 ARG A2110 1.020 -5.607 -7.707 1.00 74.42 H new ATOM 0 HB3 ARG A2110 1.040 -7.005 -8.764 1.00 74.42 H new ATOM 0 HG2 ARG A2110 1.116 -4.184 -9.899 1.00 3.05 H new ATOM 0 HG3 ARG A2110 2.582 -4.978 -9.360 1.00 3.05 H new ATOM 0 HD2 ARG A2110 0.840 -6.629 -11.143 1.00 12.13 H new ATOM 0 HD3 ARG A2110 1.545 -5.214 -11.901 1.00 12.13 H new ATOM 0 HE ARG A2110 3.694 -6.357 -10.521 1.00 50.12 H new ATOM 0 HH11 ARG A2110 1.365 -7.517 -12.966 1.00 3.15 H new ATOM 0 HH12 ARG A2110 2.496 -8.684 -13.660 1.00 3.15 H new ATOM 0 HH21 ARG A2110 5.125 -7.844 -11.413 1.00 52.13 H new ATOM 0 HH22 ARG A2110 4.638 -8.866 -12.769 1.00 52.13 H new ATOM 1623 N ILE A2111 -1.489 -6.723 -6.861 1.00 41.41 N ATOM 1624 CA ILE A2111 -2.165 -7.678 -6.000 1.00 2.21 C ATOM 1625 C ILE A2111 -3.542 -7.999 -6.583 1.00 31.35 C ATOM 1626 O ILE A2111 -4.044 -9.111 -6.422 1.00 64.23 O ATOM 1627 CB ILE A2111 -2.210 -7.163 -4.560 1.00 50.04 C ATOM 1628 CG1 ILE A2111 -2.738 -5.727 -4.510 1.00 71.43 C ATOM 1629 CG2 ILE A2111 -0.844 -7.296 -3.886 1.00 43.01 C ATOM 1630 CD1 ILE A2111 -2.876 -5.244 -3.064 1.00 42.00 C ATOM 0 H ILE A2111 -1.036 -5.952 -6.371 1.00 41.41 H new ATOM 0 HA ILE A2111 -1.610 -8.615 -5.961 1.00 2.21 H new ATOM 0 HB ILE A2111 -2.907 -7.783 -3.996 1.00 50.04 H new ATOM 0 HG12 ILE A2111 -2.062 -5.068 -5.055 1.00 71.43 H new ATOM 0 HG13 ILE A2111 -3.706 -5.674 -5.009 1.00 71.43 H new ATOM 0 HG21 ILE A2111 -0.905 -6.923 -2.864 1.00 43.01 H new ATOM 0 HG22 ILE A2111 -0.546 -8.344 -3.872 1.00 43.01 H new ATOM 0 HG23 ILE A2111 -0.107 -6.716 -4.441 1.00 43.01 H new ATOM 0 HD11 ILE A2111 -3.253 -4.221 -3.056 1.00 42.00 H new ATOM 0 HD12 ILE A2111 -3.571 -5.891 -2.529 1.00 42.00 H new ATOM 0 HD13 ILE A2111 -1.902 -5.275 -2.575 1.00 42.00 H new ATOM 1642 N SER A2112 -4.113 -7.005 -7.247 1.00 63.51 N ATOM 1643 CA SER A2112 -5.424 -7.168 -7.854 1.00 21.52 C ATOM 1644 C SER A2112 -5.277 -7.727 -9.272 1.00 62.41 C ATOM 1645 O SER A2112 -5.989 -8.655 -9.652 1.00 45.25 O ATOM 1646 CB SER A2112 -6.185 -5.841 -7.882 1.00 65.13 C ATOM 1647 OG SER A2112 -7.569 -6.015 -7.598 1.00 70.42 O ATOM 0 H SER A2112 -3.693 -6.085 -7.378 1.00 63.51 H new ATOM 0 HA SER A2112 -5.997 -7.872 -7.250 1.00 21.52 H new ATOM 0 HB2 SER A2112 -5.749 -5.157 -7.154 1.00 65.13 H new ATOM 0 HB3 SER A2112 -6.071 -5.378 -8.862 1.00 65.13 H new ATOM 0 HG SER A2112 -8.020 -5.145 -7.624 1.00 70.42 H new ATOM 1653 N LYS A2113 -4.351 -7.138 -10.014 1.00 71.52 N ATOM 1654 CA LYS A2113 -4.103 -7.566 -11.379 1.00 60.42 C ATOM 1655 C LYS A2113 -4.121 -9.094 -11.443 1.00 14.43 C ATOM 1656 O LYS A2113 -3.552 -9.760 -10.579 1.00 1.55 O ATOM 1657 CB LYS A2113 -2.809 -6.943 -11.910 1.00 75.53 C ATOM 1658 CG LYS A2113 -2.971 -6.498 -13.365 1.00 35.03 C ATOM 1659 CD LYS A2113 -2.351 -5.118 -13.589 1.00 5.15 C ATOM 1660 CE LYS A2113 -3.035 -4.392 -14.749 1.00 24.42 C ATOM 1661 NZ LYS A2113 -4.305 -3.778 -14.301 1.00 32.11 N ATOM 0 H LYS A2113 -3.763 -6.368 -9.695 1.00 71.52 H new ATOM 0 HA LYS A2113 -4.895 -7.211 -12.038 1.00 60.42 H new ATOM 0 HB2 LYS A2113 -2.533 -6.088 -11.293 1.00 75.53 H new ATOM 0 HB3 LYS A2113 -1.996 -7.665 -11.835 1.00 75.53 H new ATOM 0 HG2 LYS A2113 -2.498 -7.225 -14.026 1.00 35.03 H new ATOM 0 HG3 LYS A2113 -4.029 -6.472 -13.625 1.00 35.03 H new ATOM 0 HD2 LYS A2113 -2.440 -4.523 -12.680 1.00 5.15 H new ATOM 0 HD3 LYS A2113 -1.286 -5.223 -13.798 1.00 5.15 H new ATOM 0 HE2 LYS A2113 -2.372 -3.623 -15.145 1.00 24.42 H new ATOM 0 HE3 LYS A2113 -3.230 -5.093 -15.560 1.00 24.42 H new ATOM 0 HZ1 LYS A2113 -4.756 -3.290 -15.101 1.00 32.11 H new ATOM 0 HZ2 LYS A2113 -4.942 -4.519 -13.944 1.00 32.11 H new ATOM 0 HZ3 LYS A2113 -4.111 -3.094 -13.542 1.00 32.11 H new ATOM 1674 N GLN A2114 -4.779 -9.606 -12.472 1.00 40.24 N ATOM 1675 CA GLN A2114 -4.877 -11.044 -12.659 1.00 55.44 C ATOM 1676 C GLN A2114 -3.515 -11.702 -12.431 1.00 33.13 C ATOM 1677 O GLN A2114 -2.477 -11.117 -12.742 1.00 30.42 O ATOM 1678 CB GLN A2114 -5.422 -11.379 -14.047 1.00 63.33 C ATOM 1679 CG GLN A2114 -5.932 -12.821 -14.102 1.00 73.20 C ATOM 1680 CD GLN A2114 -5.836 -13.383 -15.521 1.00 44.32 C ATOM 1681 OE1 GLN A2114 -6.740 -13.255 -16.330 1.00 2.22 O ATOM 1682 NE2 GLN A2114 -4.692 -14.011 -15.778 1.00 23.21 N ATOM 0 H GLN A2114 -5.250 -9.050 -13.186 1.00 40.24 H new ATOM 0 HA GLN A2114 -5.578 -11.440 -11.924 1.00 55.44 H new ATOM 0 HB2 GLN A2114 -6.231 -10.693 -14.299 1.00 63.33 H new ATOM 0 HB3 GLN A2114 -4.640 -11.237 -14.793 1.00 63.33 H new ATOM 0 HG2 GLN A2114 -5.350 -13.442 -13.421 1.00 73.20 H new ATOM 0 HG3 GLN A2114 -6.967 -12.858 -13.762 1.00 73.20 H new ATOM 0 HE21 GLN A2114 -3.976 -14.083 -15.055 1.00 23.21 H new ATOM 0 HE22 GLN A2114 -4.531 -14.421 -16.698 1.00 23.21 H new TER 1691 GLN A2114