USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=25 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: A2082 GLN : amide:sc= -0.197 K(o=-0.5,f=-2.9!) USER MOD Set 1.2: A2085 CYS SG : rot 76:sc= -0.35 USER MOD Set 1.3: A2104 TYR OH : rot 166:sc= 0.0491 USER MOD Set 2.1: A2026 MET CE :methyl 156:sc= -9.53! (180deg=-5.83!) USER MOD Set 2.2: A2057 MET CE :methyl 153:sc= -1.45 (180deg=-0.713) USER MOD Set 2.3: A2058 MET CE :methyl -172:sc= -11! (180deg=-5.81!) USER MOD Set 3.1: A2028 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.011) USER MOD Set 3.2: A2112 SER OG : rot 180:sc= 0 USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-4.9!) USER MOD Single : A2035 SER OG : rot -44:sc= 0.742 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.3!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -140:sc= -1.23 (180deg=-4.03!) USER MOD Single : A2055 HIS :FLIP no HD1:sc= -1.74 F(o=-4.6!,f=-1.7) USER MOD Single : A2063 GLN :FLIP amide:sc= -4.68! C(o=-5.5!,f=-4.7!) 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 -22:sc= -3.63! USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -2.75 K(o=-2.7,f=-4.8!) USER MOD Single : A2072 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.4!) USER MOD Single : A2074 TYR OH : rot 180:sc= 0 USER MOD Single : A2079 MET CE :methyl 158:sc= -0.0632 (180deg=-0.532) USER MOD Single : A2087 LYS NZ :NH3+ 150:sc= 0.0806 (180deg=0) USER MOD Single : A2088 TYR OH : rot 165:sc= -0.133 USER MOD Single : A2089 MET CE :methyl -122:sc= -5.28! (180deg=-10.1!) 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 X(o=0,f=0) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN :FLIP amide:sc= 0.823 F(o=-0.37,f=0.82) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HE2:sc= -0.0968 K(o=-0.097,f=-1.6) USER MOD Single : A2113 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0895) USER MOD Single : A2114 GLN : amide:sc= -0.165 K(o=-0.17,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -17.019 -4.167 3.006 1.00 2.55 N ATOM 2 CA MET A2014 -17.047 -4.444 1.581 1.00 22.34 C ATOM 3 C MET A2014 -15.832 -5.274 1.159 1.00 63.13 C ATOM 4 O MET A2014 -14.735 -4.740 0.998 1.00 33.14 O ATOM 5 CB MET A2014 -17.060 -3.127 0.804 1.00 42.11 C ATOM 6 CG MET A2014 -18.402 -2.919 0.098 1.00 14.15 C ATOM 7 SD MET A2014 -18.493 -1.265 -0.564 1.00 40.35 S ATOM 8 CE MET A2014 -19.151 -0.400 0.853 1.00 0.40 C ATOM 0 HA MET A2014 -17.948 -5.015 1.360 1.00 22.34 H new ATOM 0 HB2 MET A2014 -16.871 -2.297 1.485 1.00 42.11 H new ATOM 0 HB3 MET A2014 -16.255 -3.126 0.069 1.00 42.11 H new ATOM 0 HG2 MET A2014 -18.517 -3.648 -0.705 1.00 14.15 H new ATOM 0 HG3 MET A2014 -19.220 -3.085 0.799 1.00 14.15 H new ATOM 0 HE1 MET A2014 -19.272 0.656 0.611 1.00 0.40 H new ATOM 0 HE2 MET A2014 -20.119 -0.824 1.121 1.00 0.40 H new ATOM 0 HE3 MET A2014 -18.465 -0.503 1.693 1.00 0.40 H new ATOM 18 N GLU A2015 -16.069 -6.568 0.991 1.00 73.34 N ATOM 19 CA GLU A2015 -15.007 -7.476 0.590 1.00 0.33 C ATOM 20 C GLU A2015 -15.185 -7.888 -0.871 1.00 64.21 C ATOM 21 O GLU A2015 -14.272 -8.445 -1.478 1.00 22.50 O ATOM 22 CB GLU A2015 -14.961 -8.702 1.505 1.00 42.24 C ATOM 23 CG GLU A2015 -14.334 -8.355 2.857 1.00 60.40 C ATOM 24 CD GLU A2015 -15.287 -8.691 4.006 1.00 74.43 C ATOM 25 OE1 GLU A2015 -15.063 -9.670 4.732 1.00 32.43 O ATOM 26 OE2 GLU A2015 -16.293 -7.892 4.132 1.00 61.32 O ATOM 0 H GLU A2015 -16.979 -7.008 1.125 1.00 73.34 H new ATOM 0 HA GLU A2015 -14.054 -6.956 0.686 1.00 0.33 H new ATOM 0 HB2 GLU A2015 -15.970 -9.085 1.656 1.00 42.24 H new ATOM 0 HB3 GLU A2015 -14.387 -9.496 1.027 1.00 42.24 H new ATOM 0 HG2 GLU A2015 -13.401 -8.905 2.981 1.00 60.40 H new ATOM 0 HG3 GLU A2015 -14.085 -7.294 2.885 1.00 60.40 H new ATOM 34 N LEU A2016 -16.367 -7.599 -1.395 1.00 35.12 N ATOM 35 CA LEU A2016 -16.676 -7.933 -2.775 1.00 35.24 C ATOM 36 C LEU A2016 -16.207 -9.360 -3.067 1.00 73.11 C ATOM 37 O LEU A2016 -15.878 -10.109 -2.149 1.00 53.01 O ATOM 38 CB LEU A2016 -16.089 -6.886 -3.724 1.00 60.42 C ATOM 39 CG LEU A2016 -17.092 -6.159 -4.623 1.00 33.22 C ATOM 40 CD1 LEU A2016 -17.817 -7.142 -5.543 1.00 63.51 C ATOM 41 CD2 LEU A2016 -18.068 -5.324 -3.793 1.00 30.53 C ATOM 0 H LEU A2016 -17.122 -7.137 -0.889 1.00 35.12 H new ATOM 0 HA LEU A2016 -17.753 -7.911 -2.940 1.00 35.24 H new ATOM 0 HB2 LEU A2016 -15.558 -6.142 -3.129 1.00 60.42 H new ATOM 0 HB3 LEU A2016 -15.349 -7.374 -4.359 1.00 60.42 H new ATOM 0 HG LEU A2016 -16.540 -5.469 -5.261 1.00 33.22 H new ATOM 0 HD11 LEU A2016 -18.524 -6.599 -6.171 1.00 63.51 H new ATOM 0 HD12 LEU A2016 -17.090 -7.654 -6.174 1.00 63.51 H new ATOM 0 HD13 LEU A2016 -18.355 -7.875 -4.941 1.00 63.51 H new ATOM 0 HD21 LEU A2016 -18.769 -4.818 -4.456 1.00 30.53 H new ATOM 0 HD22 LEU A2016 -18.617 -5.975 -3.113 1.00 30.53 H new ATOM 0 HD23 LEU A2016 -17.514 -4.583 -3.217 1.00 30.53 H new ATOM 53 N ILE A2017 -16.193 -9.692 -4.350 1.00 15.25 N ATOM 54 CA ILE A2017 -15.771 -11.017 -4.774 1.00 54.41 C ATOM 55 C ILE A2017 -14.383 -11.312 -4.201 1.00 14.41 C ATOM 56 O ILE A2017 -14.057 -12.464 -3.918 1.00 54.33 O ATOM 57 CB ILE A2017 -15.846 -11.140 -6.298 1.00 53.24 C ATOM 58 CG1 ILE A2017 -15.899 -12.607 -6.726 1.00 11.30 C ATOM 59 CG2 ILE A2017 -14.693 -10.387 -6.966 1.00 41.03 C ATOM 60 CD1 ILE A2017 -16.468 -12.745 -8.141 1.00 5.45 C ATOM 0 H ILE A2017 -16.467 -9.068 -5.109 1.00 15.25 H new ATOM 0 HA ILE A2017 -16.447 -11.777 -4.382 1.00 54.41 H new ATOM 0 HB ILE A2017 -16.772 -10.673 -6.635 1.00 53.24 H new ATOM 0 HG12 ILE A2017 -14.898 -13.037 -6.689 1.00 11.30 H new ATOM 0 HG13 ILE A2017 -16.514 -13.172 -6.026 1.00 11.30 H new ATOM 0 HG21 ILE A2017 -14.770 -10.490 -8.048 1.00 41.03 H new ATOM 0 HG22 ILE A2017 -14.744 -9.332 -6.698 1.00 41.03 H new ATOM 0 HG23 ILE A2017 -13.743 -10.802 -6.628 1.00 41.03 H new ATOM 0 HD11 ILE A2017 -16.495 -13.798 -8.421 1.00 5.45 H new ATOM 0 HD12 ILE A2017 -17.478 -12.336 -8.168 1.00 5.45 H new ATOM 0 HD13 ILE A2017 -15.837 -12.199 -8.842 1.00 5.45 H new ATOM 72 N ARG A2018 -13.603 -10.251 -4.049 1.00 1.21 N ATOM 73 CA ARG A2018 -12.257 -10.383 -3.513 1.00 64.55 C ATOM 74 C ARG A2018 -12.270 -11.247 -2.250 1.00 61.20 C ATOM 75 O ARG A2018 -13.016 -10.969 -1.313 1.00 0.44 O ATOM 76 CB ARG A2018 -11.661 -9.014 -3.182 1.00 4.13 C ATOM 77 CG ARG A2018 -10.234 -9.153 -2.651 1.00 3.50 C ATOM 78 CD ARG A2018 -9.220 -9.157 -3.798 1.00 41.22 C ATOM 79 NE ARG A2018 -8.294 -8.010 -3.661 1.00 14.43 N ATOM 80 CZ ARG A2018 -7.084 -7.939 -4.254 1.00 75.13 C ATOM 81 NH1 ARG A2018 -6.643 -8.949 -5.033 1.00 3.41 N ATOM 82 NH2 ARG A2018 -6.340 -6.866 -4.062 1.00 1.40 N ATOM 0 H ARG A2018 -13.876 -9.298 -4.287 1.00 1.21 H new ATOM 0 HA ARG A2018 -11.641 -10.860 -4.275 1.00 64.55 H new ATOM 0 HB2 ARG A2018 -11.662 -8.388 -4.074 1.00 4.13 H new ATOM 0 HB3 ARG A2018 -12.282 -8.513 -2.440 1.00 4.13 H new ATOM 0 HG2 ARG A2018 -10.014 -8.331 -1.969 1.00 3.50 H new ATOM 0 HG3 ARG A2018 -10.144 -10.076 -2.078 1.00 3.50 H new ATOM 0 HD2 ARG A2018 -8.658 -10.091 -3.794 1.00 41.22 H new ATOM 0 HD3 ARG A2018 -9.740 -9.102 -4.754 1.00 41.22 H new ATOM 0 HE ARG A2018 -8.589 -7.224 -3.082 1.00 14.43 H new ATOM 0 HH11 ARG A2018 -7.226 -9.774 -5.177 1.00 3.41 H new ATOM 0 HH12 ARG A2018 -5.727 -8.888 -5.478 1.00 3.41 H new ATOM 0 HH21 ARG A2018 -6.682 -6.107 -3.473 1.00 1.40 H new ATOM 0 HH22 ARG A2018 -5.423 -6.796 -4.503 1.00 1.40 H new ATOM 94 N VAL A2019 -11.438 -12.277 -2.269 1.00 44.24 N ATOM 95 CA VAL A2019 -11.343 -13.183 -1.137 1.00 32.42 C ATOM 96 C VAL A2019 -11.397 -12.377 0.163 1.00 43.35 C ATOM 97 O VAL A2019 -10.661 -11.402 0.323 1.00 24.30 O ATOM 98 CB VAL A2019 -10.083 -14.042 -1.257 1.00 2.51 C ATOM 99 CG1 VAL A2019 -9.802 -14.790 0.048 1.00 22.31 C ATOM 100 CG2 VAL A2019 -10.191 -15.014 -2.434 1.00 53.31 C ATOM 0 H VAL A2019 -10.823 -12.505 -3.050 1.00 44.24 H new ATOM 0 HA VAL A2019 -12.188 -13.871 -1.127 1.00 32.42 H new ATOM 0 HB VAL A2019 -9.242 -13.376 -1.449 1.00 2.51 H new ATOM 0 HG11 VAL A2019 -8.901 -15.393 -0.065 1.00 22.31 H new ATOM 0 HG12 VAL A2019 -9.659 -14.072 0.855 1.00 22.31 H new ATOM 0 HG13 VAL A2019 -10.645 -15.439 0.284 1.00 22.31 H new ATOM 0 HG21 VAL A2019 -9.282 -15.612 -2.496 1.00 53.31 H new ATOM 0 HG22 VAL A2019 -11.048 -15.671 -2.286 1.00 53.31 H new ATOM 0 HG23 VAL A2019 -10.320 -14.452 -3.359 1.00 53.31 H new ATOM 110 N PRO A2020 -12.295 -12.823 1.081 1.00 65.13 N ATOM 111 CA PRO A2020 -12.452 -12.154 2.360 1.00 75.31 C ATOM 112 C PRO A2020 -11.284 -12.475 3.296 1.00 70.55 C ATOM 113 O PRO A2020 -10.904 -11.652 4.126 1.00 2.04 O ATOM 114 CB PRO A2020 -13.791 -12.635 2.894 1.00 32.55 C ATOM 115 CG PRO A2020 -14.116 -13.903 2.121 1.00 64.14 C ATOM 116 CD PRO A2020 -13.180 -13.973 0.925 1.00 63.41 C ATOM 0 HA PRO A2020 -12.441 -11.068 2.270 1.00 75.31 H new ATOM 0 HB2 PRO A2020 -13.736 -12.833 3.964 1.00 32.55 H new ATOM 0 HB3 PRO A2020 -14.564 -11.880 2.749 1.00 32.55 H new ATOM 0 HG2 PRO A2020 -13.990 -14.780 2.756 1.00 64.14 H new ATOM 0 HG3 PRO A2020 -15.155 -13.894 1.792 1.00 64.14 H new ATOM 0 HD2 PRO A2020 -12.618 -14.907 0.916 1.00 63.41 H new ATOM 0 HD3 PRO A2020 -13.732 -13.924 -0.014 1.00 63.41 H new ATOM 124 N ILE A2021 -10.748 -13.676 3.128 1.00 31.34 N ATOM 125 CA ILE A2021 -9.632 -14.118 3.946 1.00 13.43 C ATOM 126 C ILE A2021 -8.364 -14.162 3.091 1.00 34.44 C ATOM 127 O ILE A2021 -8.045 -15.194 2.503 1.00 23.05 O ATOM 128 CB ILE A2021 -9.961 -15.447 4.629 1.00 14.51 C ATOM 129 CG1 ILE A2021 -10.780 -16.349 3.706 1.00 21.13 C ATOM 130 CG2 ILE A2021 -10.659 -15.215 5.972 1.00 44.21 C ATOM 131 CD1 ILE A2021 -12.277 -16.057 3.839 1.00 42.25 C ATOM 0 H ILE A2021 -11.066 -14.356 2.437 1.00 31.34 H new ATOM 0 HA ILE A2021 -9.447 -13.409 4.753 1.00 13.43 H new ATOM 0 HB ILE A2021 -9.025 -15.965 4.838 1.00 14.51 H new ATOM 0 HG12 ILE A2021 -10.467 -16.198 2.673 1.00 21.13 H new ATOM 0 HG13 ILE A2021 -10.587 -17.394 3.948 1.00 21.13 H new ATOM 0 HG21 ILE A2021 -10.882 -16.175 6.437 1.00 44.21 H new ATOM 0 HG22 ILE A2021 -10.006 -14.638 6.627 1.00 44.21 H new ATOM 0 HG23 ILE A2021 -11.587 -14.666 5.810 1.00 44.21 H new ATOM 0 HD11 ILE A2021 -12.836 -16.713 3.172 1.00 42.25 H new ATOM 0 HD12 ILE A2021 -12.592 -16.232 4.868 1.00 42.25 H new ATOM 0 HD13 ILE A2021 -12.470 -15.018 3.573 1.00 42.25 H new ATOM 143 N LEU A2022 -7.677 -13.030 3.047 1.00 34.35 N ATOM 144 CA LEU A2022 -6.451 -12.930 2.274 1.00 75.41 C ATOM 145 C LEU A2022 -5.826 -11.552 2.499 1.00 44.33 C ATOM 146 O LEU A2022 -6.492 -10.632 2.972 1.00 1.54 O ATOM 147 CB LEU A2022 -6.720 -13.250 0.803 1.00 44.11 C ATOM 148 CG LEU A2022 -5.826 -14.324 0.176 1.00 14.31 C ATOM 149 CD1 LEU A2022 -4.360 -13.890 0.184 1.00 55.43 C ATOM 150 CD2 LEU A2022 -6.029 -15.675 0.866 1.00 54.24 C ATOM 0 H LEU A2022 -7.946 -12.175 3.534 1.00 34.35 H new ATOM 0 HA LEU A2022 -5.725 -13.670 2.610 1.00 75.41 H new ATOM 0 HB2 LEU A2022 -7.758 -13.567 0.704 1.00 44.11 H new ATOM 0 HB3 LEU A2022 -6.611 -12.332 0.226 1.00 44.11 H new ATOM 0 HG LEU A2022 -6.118 -14.447 -0.867 1.00 14.31 H new ATOM 0 HD11 LEU A2022 -3.747 -14.671 -0.267 1.00 55.43 H new ATOM 0 HD12 LEU A2022 -4.250 -12.968 -0.387 1.00 55.43 H new ATOM 0 HD13 LEU A2022 -4.036 -13.722 1.211 1.00 55.43 H new ATOM 0 HD21 LEU A2022 -5.383 -16.421 0.403 1.00 54.24 H new ATOM 0 HD22 LEU A2022 -5.779 -15.585 1.923 1.00 54.24 H new ATOM 0 HD23 LEU A2022 -7.070 -15.983 0.764 1.00 54.24 H new ATOM 162 N TRP A2023 -4.552 -11.452 2.148 1.00 71.20 N ATOM 163 CA TRP A2023 -3.828 -10.202 2.305 1.00 4.24 C ATOM 164 C TRP A2023 -4.388 -9.199 1.294 1.00 21.35 C ATOM 165 O TRP A2023 -4.769 -8.088 1.662 1.00 5.12 O ATOM 166 CB TRP A2023 -2.319 -10.419 2.158 1.00 61.44 C ATOM 167 CG TRP A2023 -1.609 -10.766 3.467 1.00 21.10 C ATOM 168 CD1 TRP A2023 -2.162 -11.100 4.641 1.00 53.22 C ATOM 169 CD2 TRP A2023 -0.184 -10.799 3.690 1.00 32.22 C ATOM 170 NE1 TRP A2023 -1.201 -11.346 5.601 1.00 14.42 N ATOM 171 CE2 TRP A2023 0.041 -11.157 5.003 1.00 54.22 C ATOM 172 CE3 TRP A2023 0.880 -10.536 2.810 1.00 0.40 C ATOM 173 CZ2 TRP A2023 1.321 -11.282 5.555 1.00 34.25 C ATOM 174 CZ3 TRP A2023 2.154 -10.666 3.378 1.00 65.04 C ATOM 175 CH2 TRP A2023 2.396 -11.025 4.697 1.00 14.33 C ATOM 0 H TRP A2023 -4.003 -12.217 1.755 1.00 71.20 H new ATOM 0 HA TRP A2023 -3.968 -9.800 3.308 1.00 4.24 H new ATOM 0 HB2 TRP A2023 -2.146 -11.220 1.440 1.00 61.44 H new ATOM 0 HB3 TRP A2023 -1.871 -9.516 1.742 1.00 61.44 H new ATOM 0 HD1 TRP A2023 -3.226 -11.168 4.814 1.00 53.22 H new ATOM 0 HE1 TRP A2023 -1.370 -11.616 6.570 1.00 14.42 H new ATOM 0 HE3 TRP A2023 0.728 -10.256 1.778 1.00 0.40 H new ATOM 0 HZ2 TRP A2023 1.471 -11.562 6.587 1.00 34.25 H new ATOM 0 HZ3 TRP A2023 3.008 -10.473 2.745 1.00 65.04 H new ATOM 0 HH2 TRP A2023 3.410 -11.106 5.060 1.00 14.33 H new ATOM 186 N HIS A2024 -4.423 -9.627 0.042 1.00 23.23 N ATOM 187 CA HIS A2024 -4.933 -8.781 -1.024 1.00 52.21 C ATOM 188 C HIS A2024 -6.255 -8.147 -0.589 1.00 43.22 C ATOM 189 O HIS A2024 -6.635 -7.090 -1.089 1.00 44.12 O ATOM 190 CB HIS A2024 -5.054 -9.568 -2.331 1.00 24.15 C ATOM 191 CG HIS A2024 -3.983 -10.614 -2.521 1.00 4.34 C ATOM 192 ND1 HIS A2024 -4.191 -11.957 -2.263 1.00 24.32 N ATOM 193 CD2 HIS A2024 -2.691 -10.501 -2.946 1.00 40.44 C ATOM 194 CE1 HIS A2024 -3.069 -12.613 -2.525 1.00 13.15 C ATOM 195 NE2 HIS A2024 -2.141 -11.708 -2.946 1.00 71.32 N ATOM 0 H HIS A2024 -4.107 -10.549 -0.259 1.00 23.23 H new ATOM 0 HA HIS A2024 -4.229 -7.972 -1.219 1.00 52.21 H new ATOM 0 HB2 HIS A2024 -6.030 -10.053 -2.362 1.00 24.15 H new ATOM 0 HB3 HIS A2024 -5.018 -8.870 -3.168 1.00 24.15 H new ATOM 0 HD2 HIS A2024 -2.199 -9.583 -3.234 1.00 40.44 H new ATOM 0 HE1 HIS A2024 -2.917 -13.677 -2.423 1.00 13.15 H new ATOM 0 HE2 HIS A2024 -1.181 -11.923 -3.217 1.00 71.32 H new ATOM 204 N GLU A2025 -6.920 -8.819 0.339 1.00 43.43 N ATOM 205 CA GLU A2025 -8.191 -8.334 0.848 1.00 73.45 C ATOM 206 C GLU A2025 -7.982 -7.066 1.679 1.00 0.14 C ATOM 207 O GLU A2025 -8.808 -6.157 1.650 1.00 34.42 O ATOM 208 CB GLU A2025 -8.903 -9.415 1.664 1.00 72.41 C ATOM 209 CG GLU A2025 -10.346 -9.007 1.972 1.00 21.11 C ATOM 210 CD GLU A2025 -11.031 -8.434 0.731 1.00 51.44 C ATOM 211 OE1 GLU A2025 -11.434 -9.192 -0.163 1.00 35.43 O ATOM 212 OE2 GLU A2025 -11.138 -7.147 0.713 1.00 35.03 O ATOM 0 H GLU A2025 -6.602 -9.696 0.752 1.00 43.43 H new ATOM 0 HA GLU A2025 -8.829 -8.086 -0.000 1.00 73.45 H new ATOM 0 HB2 GLU A2025 -8.897 -10.355 1.113 1.00 72.41 H new ATOM 0 HB3 GLU A2025 -8.363 -9.588 2.595 1.00 72.41 H new ATOM 0 HG2 GLU A2025 -10.903 -9.872 2.332 1.00 21.11 H new ATOM 0 HG3 GLU A2025 -10.355 -8.266 2.771 1.00 21.11 H new ATOM 220 N MET A2026 -6.870 -7.048 2.401 1.00 12.41 N ATOM 221 CA MET A2026 -6.541 -5.908 3.240 1.00 30.32 C ATOM 222 C MET A2026 -6.078 -4.721 2.393 1.00 74.13 C ATOM 223 O MET A2026 -6.289 -3.567 2.766 1.00 13.24 O ATOM 224 CB MET A2026 -5.436 -6.300 4.223 1.00 54.55 C ATOM 225 CG MET A2026 -4.052 -6.071 3.609 1.00 35.30 C ATOM 226 SD MET A2026 -3.513 -4.399 3.925 1.00 41.11 S ATOM 227 CE MET A2026 -1.748 -4.604 3.751 1.00 30.24 C ATOM 0 H MET A2026 -6.186 -7.805 2.422 1.00 12.41 H new ATOM 0 HA MET A2026 -7.436 -5.611 3.787 1.00 30.32 H new ATOM 0 HB2 MET A2026 -5.534 -5.716 5.138 1.00 54.55 H new ATOM 0 HB3 MET A2026 -5.546 -7.348 4.501 1.00 54.55 H new ATOM 0 HG2 MET A2026 -3.337 -6.778 4.030 1.00 35.30 H new ATOM 0 HG3 MET A2026 -4.087 -6.254 2.535 1.00 35.30 H new ATOM 0 HE1 MET A2026 -1.294 -3.647 3.493 1.00 30.24 H new ATOM 0 HE2 MET A2026 -1.329 -4.962 4.691 1.00 30.24 H new ATOM 0 HE3 MET A2026 -1.542 -5.328 2.963 1.00 30.24 H new ATOM 237 N TRP A2027 -5.453 -5.044 1.271 1.00 20.52 N ATOM 238 CA TRP A2027 -4.958 -4.019 0.368 1.00 12.41 C ATOM 239 C TRP A2027 -6.164 -3.317 -0.259 1.00 51.35 C ATOM 240 O TRP A2027 -6.253 -2.091 -0.237 1.00 2.32 O ATOM 241 CB TRP A2027 -4.007 -4.615 -0.670 1.00 44.25 C ATOM 242 CG TRP A2027 -2.691 -5.132 -0.086 1.00 42.43 C ATOM 243 CD1 TRP A2027 -2.483 -6.255 0.617 1.00 34.40 C ATOM 244 CD2 TRP A2027 -1.398 -4.497 -0.182 1.00 14.22 C ATOM 245 NE1 TRP A2027 -1.159 -6.387 0.980 1.00 12.12 N ATOM 246 CE2 TRP A2027 -0.478 -5.284 0.478 1.00 41.30 C ATOM 247 CE3 TRP A2027 -1.021 -3.296 -0.807 1.00 41.45 C ATOM 248 CZ2 TRP A2027 0.880 -4.958 0.576 1.00 1.31 C ATOM 249 CZ3 TRP A2027 0.342 -2.983 -0.699 1.00 31.21 C ATOM 250 CH2 TRP A2027 1.281 -3.766 -0.038 1.00 53.34 C ATOM 0 H TRP A2027 -5.278 -6.002 0.966 1.00 20.52 H new ATOM 0 HA TRP A2027 -4.369 -3.280 0.911 1.00 12.41 H new ATOM 0 HB2 TRP A2027 -4.512 -5.434 -1.182 1.00 44.25 H new ATOM 0 HB3 TRP A2027 -3.786 -3.858 -1.422 1.00 44.25 H new ATOM 0 HD1 TRP A2027 -3.256 -6.967 0.868 1.00 34.40 H new ATOM 0 HE1 TRP A2027 -0.754 -7.153 1.518 1.00 12.12 H new ATOM 0 HE3 TRP A2027 -1.725 -2.664 -1.329 1.00 41.45 H new ATOM 0 HZ2 TRP A2027 1.581 -5.593 1.098 1.00 1.31 H new ATOM 0 HZ3 TRP A2027 0.686 -2.070 -1.162 1.00 31.21 H new ATOM 0 HH2 TRP A2027 2.315 -3.456 0.002 1.00 53.34 H new ATOM 261 N HIS A2028 -7.061 -4.126 -0.803 1.00 63.11 N ATOM 262 CA HIS A2028 -8.258 -3.598 -1.433 1.00 63.21 C ATOM 263 C HIS A2028 -9.029 -2.736 -0.433 1.00 70.11 C ATOM 264 O HIS A2028 -9.273 -1.555 -0.683 1.00 5.13 O ATOM 265 CB HIS A2028 -9.107 -4.728 -2.020 1.00 54.12 C ATOM 266 CG HIS A2028 -9.247 -4.676 -3.522 1.00 63.20 C ATOM 267 ND1 HIS A2028 -10.450 -4.889 -4.171 1.00 22.31 N ATOM 268 CD2 HIS A2028 -8.322 -4.431 -4.496 1.00 0.22 C ATOM 269 CE1 HIS A2028 -10.248 -4.776 -5.476 1.00 1.44 C ATOM 270 NE2 HIS A2028 -8.928 -4.493 -5.674 1.00 22.14 N ATOM 0 H HIS A2028 -6.983 -5.143 -0.820 1.00 63.11 H new ATOM 0 HA HIS A2028 -7.979 -2.958 -2.270 1.00 63.21 H new ATOM 0 HB2 HIS A2028 -8.664 -5.684 -1.740 1.00 54.12 H new ATOM 0 HB3 HIS A2028 -10.100 -4.693 -1.572 1.00 54.12 H new ATOM 0 HD2 HIS A2028 -7.275 -4.222 -4.335 1.00 0.22 H new ATOM 0 HE1 HIS A2028 -10.996 -4.888 -6.247 1.00 1.44 H new ATOM 0 HE2 HIS A2028 -8.481 -4.352 -6.580 1.00 22.14 H new ATOM 279 N GLU A2029 -9.392 -3.356 0.680 1.00 25.42 N ATOM 280 CA GLU A2029 -10.131 -2.662 1.720 1.00 41.14 C ATOM 281 C GLU A2029 -9.289 -1.518 2.294 1.00 73.44 C ATOM 282 O GLU A2029 -9.818 -0.454 2.611 1.00 11.50 O ATOM 283 CB GLU A2029 -10.568 -3.628 2.822 1.00 54.35 C ATOM 284 CG GLU A2029 -9.356 -4.193 3.566 1.00 14.30 C ATOM 285 CD GLU A2029 -9.050 -3.370 4.820 1.00 43.51 C ATOM 286 OE1 GLU A2029 -9.445 -2.198 4.903 1.00 41.42 O ATOM 287 OE2 GLU A2029 -8.375 -3.989 5.728 1.00 30.42 O ATOM 0 H GLU A2029 -9.187 -4.334 0.884 1.00 25.42 H new ATOM 0 HA GLU A2029 -11.033 -2.239 1.277 1.00 41.14 H new ATOM 0 HB2 GLU A2029 -11.223 -3.112 3.524 1.00 54.35 H new ATOM 0 HB3 GLU A2029 -11.146 -4.444 2.388 1.00 54.35 H new ATOM 0 HG2 GLU A2029 -9.546 -5.230 3.844 1.00 14.30 H new ATOM 0 HG3 GLU A2029 -8.488 -4.194 2.907 1.00 14.30 H new ATOM 295 N GLY A2030 -7.996 -1.778 2.406 1.00 13.11 N ATOM 296 CA GLY A2030 -7.077 -0.783 2.936 1.00 35.24 C ATOM 297 C GLY A2030 -7.127 0.505 2.110 1.00 21.41 C ATOM 298 O GLY A2030 -7.534 1.552 2.611 1.00 5.42 O ATOM 0 H GLY A2030 -7.562 -2.662 2.140 1.00 13.11 H new ATOM 0 HA2 GLY A2030 -7.331 -0.564 3.973 1.00 35.24 H new ATOM 0 HA3 GLY A2030 -6.063 -1.182 2.933 1.00 35.24 H new ATOM 302 N LEU A2031 -6.708 0.383 0.859 1.00 11.13 N ATOM 303 CA LEU A2031 -6.699 1.524 -0.040 1.00 45.14 C ATOM 304 C LEU A2031 -8.118 2.079 -0.167 1.00 32.32 C ATOM 305 O LEU A2031 -8.305 3.276 -0.375 1.00 65.04 O ATOM 306 CB LEU A2031 -6.065 1.144 -1.380 1.00 72.43 C ATOM 307 CG LEU A2031 -4.589 1.507 -1.551 1.00 70.12 C ATOM 308 CD1 LEU A2031 -4.165 1.407 -3.018 1.00 74.12 C ATOM 309 CD2 LEU A2031 -4.290 2.887 -0.960 1.00 72.44 C ATOM 0 H LEU A2031 -6.373 -0.488 0.447 1.00 11.13 H new ATOM 0 HA LEU A2031 -6.079 2.324 0.365 1.00 45.14 H new ATOM 0 HB2 LEU A2031 -6.172 0.068 -1.518 1.00 72.43 H new ATOM 0 HB3 LEU A2031 -6.632 1.626 -2.177 1.00 72.43 H new ATOM 0 HG LEU A2031 -3.994 0.783 -0.994 1.00 70.12 H new ATOM 0 HD11 LEU A2031 -3.111 1.670 -3.111 1.00 74.12 H new ATOM 0 HD12 LEU A2031 -4.317 0.387 -3.372 1.00 74.12 H new ATOM 0 HD13 LEU A2031 -4.764 2.092 -3.618 1.00 74.12 H new ATOM 0 HD21 LEU A2031 -3.234 3.120 -1.095 1.00 72.44 H new ATOM 0 HD22 LEU A2031 -4.895 3.639 -1.467 1.00 72.44 H new ATOM 0 HD23 LEU A2031 -4.528 2.887 0.104 1.00 72.44 H new ATOM 321 N GLU A2032 -9.084 1.181 -0.036 1.00 74.22 N ATOM 322 CA GLU A2032 -10.482 1.566 -0.133 1.00 52.32 C ATOM 323 C GLU A2032 -10.788 2.702 0.843 1.00 33.24 C ATOM 324 O GLU A2032 -11.312 3.743 0.448 1.00 72.14 O ATOM 325 CB GLU A2032 -11.401 0.367 0.115 1.00 44.14 C ATOM 326 CG GLU A2032 -12.018 -0.130 -1.193 1.00 3.11 C ATOM 327 CD GLU A2032 -13.213 0.734 -1.600 1.00 14.32 C ATOM 328 OE1 GLU A2032 -14.201 0.815 -0.856 1.00 2.42 O ATOM 329 OE2 GLU A2032 -13.089 1.338 -2.733 1.00 61.24 O ATOM 0 H GLU A2032 -8.926 0.188 0.136 1.00 74.22 H new ATOM 0 HA GLU A2032 -10.671 1.922 -1.146 1.00 52.32 H new ATOM 0 HB2 GLU A2032 -10.836 -0.438 0.584 1.00 44.14 H new ATOM 0 HB3 GLU A2032 -12.192 0.648 0.811 1.00 44.14 H new ATOM 0 HG2 GLU A2032 -11.267 -0.113 -1.983 1.00 3.11 H new ATOM 0 HG3 GLU A2032 -12.336 -1.166 -1.078 1.00 3.11 H new ATOM 337 N GLU A2033 -10.450 2.465 2.103 1.00 42.10 N ATOM 338 CA GLU A2033 -10.683 3.455 3.140 1.00 34.10 C ATOM 339 C GLU A2033 -9.712 4.627 2.983 1.00 24.20 C ATOM 340 O GLU A2033 -10.123 5.788 3.005 1.00 11.24 O ATOM 341 CB GLU A2033 -10.567 2.830 4.531 1.00 1.13 C ATOM 342 CG GLU A2033 -10.669 3.898 5.623 1.00 22.14 C ATOM 343 CD GLU A2033 -11.477 3.386 6.817 1.00 53.21 C ATOM 344 OE1 GLU A2033 -11.278 2.244 7.256 1.00 3.21 O ATOM 345 OE2 GLU A2033 -12.336 4.222 7.292 1.00 53.31 O ATOM 0 H GLU A2033 -10.016 1.601 2.428 1.00 42.10 H new ATOM 0 HA GLU A2033 -11.699 3.833 3.031 1.00 34.10 H new ATOM 0 HB2 GLU A2033 -11.355 2.089 4.667 1.00 1.13 H new ATOM 0 HB3 GLU A2033 -9.616 2.304 4.619 1.00 1.13 H new ATOM 0 HG2 GLU A2033 -9.670 4.184 5.951 1.00 22.14 H new ATOM 0 HG3 GLU A2033 -11.140 4.794 5.218 1.00 22.14 H new ATOM 353 N ALA A2034 -8.442 4.284 2.827 1.00 51.15 N ATOM 354 CA ALA A2034 -7.408 5.294 2.664 1.00 5.02 C ATOM 355 C ALA A2034 -7.779 6.214 1.500 1.00 54.42 C ATOM 356 O ALA A2034 -7.728 7.437 1.632 1.00 25.32 O ATOM 357 CB ALA A2034 -6.055 4.611 2.460 1.00 1.22 C ATOM 0 H ALA A2034 -8.105 3.322 2.810 1.00 51.15 H new ATOM 0 HA ALA A2034 -7.329 5.911 3.559 1.00 5.02 H new ATOM 0 HB1 ALA A2034 -5.280 5.368 2.338 1.00 1.22 H new ATOM 0 HB2 ALA A2034 -5.825 3.993 3.328 1.00 1.22 H new ATOM 0 HB3 ALA A2034 -6.094 3.985 1.569 1.00 1.22 H new ATOM 363 N SER A2035 -8.142 5.593 0.389 1.00 61.12 N ATOM 364 CA SER A2035 -8.520 6.342 -0.799 1.00 33.25 C ATOM 365 C SER A2035 -9.733 7.224 -0.495 1.00 4.24 C ATOM 366 O SER A2035 -9.781 8.382 -0.905 1.00 73.03 O ATOM 367 CB SER A2035 -8.825 5.405 -1.968 1.00 65.41 C ATOM 368 OG SER A2035 -10.089 4.761 -1.823 1.00 11.13 O ATOM 0 H SER A2035 -8.183 4.579 0.285 1.00 61.12 H new ATOM 0 HA SER A2035 -7.680 6.974 -1.087 1.00 33.25 H new ATOM 0 HB2 SER A2035 -8.812 5.971 -2.899 1.00 65.41 H new ATOM 0 HB3 SER A2035 -8.041 4.651 -2.042 1.00 65.41 H new ATOM 0 HG SER A2035 -10.192 4.447 -0.900 1.00 11.13 H new ATOM 374 N ARG A2036 -10.685 6.641 0.220 1.00 61.23 N ATOM 375 CA ARG A2036 -11.895 7.359 0.582 1.00 41.13 C ATOM 376 C ARG A2036 -11.548 8.597 1.414 1.00 70.34 C ATOM 377 O ARG A2036 -12.230 9.618 1.327 1.00 63.12 O ATOM 378 CB ARG A2036 -12.846 6.468 1.381 1.00 71.24 C ATOM 379 CG ARG A2036 -14.182 7.173 1.627 1.00 51.30 C ATOM 380 CD ARG A2036 -15.346 6.359 1.055 1.00 12.12 C ATOM 381 NE ARG A2036 -16.443 6.281 2.045 1.00 60.10 N ATOM 382 CZ ARG A2036 -17.649 5.727 1.795 1.00 72.12 C ATOM 383 NH1 ARG A2036 -17.923 5.199 0.582 1.00 14.25 N ATOM 384 NH2 ARG A2036 -18.556 5.712 2.753 1.00 53.31 N ATOM 0 H ARG A2036 -10.642 5.680 0.558 1.00 61.23 H new ATOM 0 HA ARG A2036 -12.389 7.663 -0.341 1.00 41.13 H new ATOM 0 HB2 ARG A2036 -13.016 5.536 0.842 1.00 71.24 H new ATOM 0 HB3 ARG A2036 -12.389 6.205 2.335 1.00 71.24 H new ATOM 0 HG2 ARG A2036 -14.328 7.320 2.697 1.00 51.30 H new ATOM 0 HG3 ARG A2036 -14.165 8.162 1.169 1.00 51.30 H new ATOM 0 HD2 ARG A2036 -15.707 6.821 0.136 1.00 12.12 H new ATOM 0 HD3 ARG A2036 -15.007 5.356 0.796 1.00 12.12 H new ATOM 0 HE ARG A2036 -16.278 6.670 2.974 1.00 60.10 H new ATOM 0 HH11 ARG A2036 -17.216 5.217 -0.153 1.00 14.25 H new ATOM 0 HH12 ARG A2036 -18.836 4.782 0.402 1.00 14.25 H new ATOM 0 HH21 ARG A2036 -18.341 6.115 3.665 1.00 53.31 H new ATOM 0 HH22 ARG A2036 -19.472 5.298 2.582 1.00 53.31 H new ATOM 396 N LEU A2037 -10.490 8.467 2.197 1.00 10.21 N ATOM 397 CA LEU A2037 -10.044 9.562 3.043 1.00 30.33 C ATOM 398 C LEU A2037 -9.450 10.667 2.168 1.00 65.34 C ATOM 399 O LEU A2037 -9.706 11.848 2.395 1.00 15.43 O ATOM 400 CB LEU A2037 -9.088 9.051 4.123 1.00 62.42 C ATOM 401 CG LEU A2037 -9.674 8.046 5.116 1.00 22.34 C ATOM 402 CD1 LEU A2037 -8.687 6.911 5.396 1.00 34.04 C ATOM 403 CD2 LEU A2037 -10.124 8.745 6.401 1.00 3.12 C ATOM 0 H LEU A2037 -9.927 7.619 2.265 1.00 10.21 H new ATOM 0 HA LEU A2037 -10.888 9.998 3.578 1.00 30.33 H new ATOM 0 HB2 LEU A2037 -8.231 8.590 3.633 1.00 62.42 H new ATOM 0 HB3 LEU A2037 -8.712 9.908 4.683 1.00 62.42 H new ATOM 0 HG LEU A2037 -10.559 7.597 4.666 1.00 22.34 H new ATOM 0 HD11 LEU A2037 -9.129 6.211 6.105 1.00 34.04 H new ATOM 0 HD12 LEU A2037 -8.458 6.390 4.466 1.00 34.04 H new ATOM 0 HD13 LEU A2037 -7.769 7.322 5.817 1.00 34.04 H new ATOM 0 HD21 LEU A2037 -10.537 8.009 7.090 1.00 3.12 H new ATOM 0 HD22 LEU A2037 -9.270 9.238 6.865 1.00 3.12 H new ATOM 0 HD23 LEU A2037 -10.886 9.487 6.164 1.00 3.12 H new ATOM 415 N TYR A2038 -8.671 10.244 1.185 1.00 42.54 N ATOM 416 CA TYR A2038 -8.037 11.183 0.274 1.00 5.32 C ATOM 417 C TYR A2038 -9.048 11.735 -0.733 1.00 75.11 C ATOM 418 O TYR A2038 -9.210 12.949 -0.854 1.00 64.22 O ATOM 419 CB TYR A2038 -6.970 10.387 -0.478 1.00 41.22 C ATOM 420 CG TYR A2038 -6.222 11.197 -1.538 1.00 40.22 C ATOM 421 CD1 TYR A2038 -5.364 12.208 -1.156 1.00 4.41 C ATOM 422 CD2 TYR A2038 -6.404 10.917 -2.877 1.00 23.25 C ATOM 423 CE1 TYR A2038 -4.660 12.971 -2.153 1.00 50.14 C ATOM 424 CE2 TYR A2038 -5.700 11.679 -3.876 1.00 61.23 C ATOM 425 CZ TYR A2038 -4.861 12.669 -3.465 1.00 54.02 C ATOM 426 OH TYR A2038 -4.197 13.388 -4.407 1.00 62.15 O ATOM 0 H TYR A2038 -8.464 9.263 0.998 1.00 42.54 H new ATOM 0 HA TYR A2038 -7.619 12.027 0.822 1.00 5.32 H new ATOM 0 HB2 TYR A2038 -6.250 9.995 0.240 1.00 41.22 H new ATOM 0 HB3 TYR A2038 -7.442 9.529 -0.957 1.00 41.22 H new ATOM 0 HD1 TYR A2038 -5.221 12.427 -0.108 1.00 4.41 H new ATOM 0 HD2 TYR A2038 -7.075 10.126 -3.176 1.00 23.25 H new ATOM 0 HE1 TYR A2038 -3.987 13.766 -1.866 1.00 50.14 H new ATOM 0 HE2 TYR A2038 -5.835 11.470 -4.927 1.00 61.23 H new ATOM 0 HH TYR A2038 -4.438 13.060 -5.299 1.00 62.15 H new ATOM 436 N PHE A2039 -9.703 10.819 -1.429 1.00 4.23 N ATOM 437 CA PHE A2039 -10.694 11.197 -2.423 1.00 51.34 C ATOM 438 C PHE A2039 -11.939 11.785 -1.757 1.00 41.02 C ATOM 439 O PHE A2039 -12.424 12.842 -2.160 1.00 40.23 O ATOM 440 CB PHE A2039 -11.084 9.924 -3.176 1.00 21.22 C ATOM 441 CG PHE A2039 -9.975 9.367 -4.071 1.00 70.43 C ATOM 442 CD1 PHE A2039 -9.333 10.186 -4.946 1.00 2.10 C ATOM 443 CD2 PHE A2039 -9.634 8.052 -3.994 1.00 55.34 C ATOM 444 CE1 PHE A2039 -8.303 9.668 -5.778 1.00 61.10 C ATOM 445 CE2 PHE A2039 -8.607 7.535 -4.824 1.00 62.31 C ATOM 446 CZ PHE A2039 -7.964 8.354 -5.700 1.00 4.33 C ATOM 0 H PHE A2039 -9.567 9.814 -1.325 1.00 4.23 H new ATOM 0 HA PHE A2039 -10.281 11.952 -3.092 1.00 51.34 H new ATOM 0 HB2 PHE A2039 -11.372 9.160 -2.453 1.00 21.22 H new ATOM 0 HB3 PHE A2039 -11.962 10.131 -3.788 1.00 21.22 H new ATOM 0 HD1 PHE A2039 -9.605 11.229 -5.009 1.00 2.10 H new ATOM 0 HD2 PHE A2039 -10.146 7.402 -3.300 1.00 55.34 H new ATOM 0 HE1 PHE A2039 -7.790 10.318 -6.471 1.00 61.10 H new ATOM 0 HE2 PHE A2039 -8.335 6.492 -4.761 1.00 62.31 H new ATOM 0 HZ PHE A2039 -7.184 7.960 -6.334 1.00 4.33 H new ATOM 456 N GLY A2040 -12.424 11.075 -0.750 1.00 2.43 N ATOM 457 CA GLY A2040 -13.604 11.511 -0.025 1.00 11.43 C ATOM 458 C GLY A2040 -13.298 12.744 0.831 1.00 2.02 C ATOM 459 O GLY A2040 -13.907 13.796 0.648 1.00 2.54 O ATOM 0 H GLY A2040 -12.020 10.199 -0.419 1.00 2.43 H new ATOM 0 HA2 GLY A2040 -14.403 11.742 -0.729 1.00 11.43 H new ATOM 0 HA3 GLY A2040 -13.964 10.702 0.611 1.00 11.43 H new ATOM 463 N GLU A2041 -12.354 12.570 1.745 1.00 64.22 N ATOM 464 CA GLU A2041 -11.959 13.655 2.627 1.00 12.04 C ATOM 465 C GLU A2041 -10.631 14.258 2.165 1.00 51.42 C ATOM 466 O GLU A2041 -10.180 13.998 1.051 1.00 32.43 O ATOM 467 CB GLU A2041 -11.869 13.175 4.077 1.00 33.41 C ATOM 468 CG GLU A2041 -12.567 14.156 5.023 1.00 55.35 C ATOM 469 CD GLU A2041 -12.946 13.473 6.338 1.00 32.13 C ATOM 470 OE1 GLU A2041 -14.118 13.117 6.536 1.00 60.23 O ATOM 471 OE2 GLU A2041 -11.975 13.315 7.171 1.00 71.52 O ATOM 0 H GLU A2041 -11.852 11.695 1.893 1.00 64.22 H new ATOM 0 HA GLU A2041 -12.722 14.432 2.582 1.00 12.04 H new ATOM 0 HB2 GLU A2041 -12.326 12.190 4.167 1.00 33.41 H new ATOM 0 HB3 GLU A2041 -10.823 13.069 4.365 1.00 33.41 H new ATOM 0 HG2 GLU A2041 -11.910 15.002 5.225 1.00 55.35 H new ATOM 0 HG3 GLU A2041 -13.462 14.554 4.545 1.00 55.35 H new ATOM 479 N ARG A2042 -10.042 15.054 3.046 1.00 12.14 N ATOM 480 CA ARG A2042 -8.775 15.696 2.743 1.00 42.35 C ATOM 481 C ARG A2042 -7.752 15.400 3.843 1.00 72.13 C ATOM 482 O ARG A2042 -6.772 16.125 3.996 1.00 74.15 O ATOM 483 CB ARG A2042 -8.943 17.210 2.608 1.00 11.22 C ATOM 484 CG ARG A2042 -8.491 17.692 1.229 1.00 43.43 C ATOM 485 CD ARG A2042 -9.128 16.853 0.118 1.00 24.44 C ATOM 486 NE ARG A2042 -9.867 17.729 -0.817 1.00 52.10 N ATOM 487 CZ ARG A2042 -10.250 17.359 -2.058 1.00 21.22 C ATOM 488 NH1 ARG A2042 -9.966 16.123 -2.522 1.00 72.54 N ATOM 489 NH2 ARG A2042 -10.904 18.223 -2.811 1.00 34.00 N ATOM 0 H ARG A2042 -10.419 15.268 3.969 1.00 12.14 H new ATOM 0 HA ARG A2042 -8.420 15.295 1.794 1.00 42.35 H new ATOM 0 HB2 ARG A2042 -9.987 17.479 2.767 1.00 11.22 H new ATOM 0 HB3 ARG A2042 -8.363 17.714 3.381 1.00 11.22 H new ATOM 0 HG2 ARG A2042 -8.762 18.740 1.099 1.00 43.43 H new ATOM 0 HG3 ARG A2042 -7.405 17.633 1.157 1.00 43.43 H new ATOM 0 HD2 ARG A2042 -8.357 16.301 -0.420 1.00 24.44 H new ATOM 0 HD3 ARG A2042 -9.805 16.116 0.550 1.00 24.44 H new ATOM 0 HE ARG A2042 -10.102 18.671 -0.505 1.00 52.10 H new ATOM 0 HH11 ARG A2042 -9.459 15.462 -1.934 1.00 72.54 H new ATOM 0 HH12 ARG A2042 -10.259 15.851 -3.460 1.00 72.54 H new ATOM 0 HH21 ARG A2042 -11.113 19.155 -2.453 1.00 34.00 H new ATOM 0 HH22 ARG A2042 -11.200 17.959 -3.751 1.00 34.00 H new ATOM 501 N ASN A2043 -8.019 14.330 4.580 1.00 44.33 N ATOM 502 CA ASN A2043 -7.133 13.930 5.661 1.00 71.14 C ATOM 503 C ASN A2043 -6.160 12.866 5.148 1.00 5.34 C ATOM 504 O ASN A2043 -6.481 11.679 5.140 1.00 65.05 O ATOM 505 CB ASN A2043 -7.924 13.328 6.823 1.00 11.44 C ATOM 506 CG ASN A2043 -8.119 14.352 7.942 1.00 52.44 C ATOM 507 OD1 ASN A2043 -8.010 15.552 7.746 1.00 11.23 O ATOM 508 ND2 ASN A2043 -8.414 13.815 9.123 1.00 22.31 N ATOM 0 H ASN A2043 -8.834 13.730 4.450 1.00 44.33 H new ATOM 0 HA ASN A2043 -6.599 14.815 6.008 1.00 71.14 H new ATOM 0 HB2 ASN A2043 -8.895 12.984 6.467 1.00 11.44 H new ATOM 0 HB3 ASN A2043 -7.399 12.455 7.211 1.00 11.44 H new ATOM 0 HD21 ASN A2043 -8.564 14.416 9.933 1.00 22.31 H new ATOM 0 HD22 ASN A2043 -8.490 12.802 9.218 1.00 22.31 H new ATOM 515 N VAL A2044 -4.990 13.329 4.737 1.00 44.03 N ATOM 516 CA VAL A2044 -3.968 12.432 4.223 1.00 41.43 C ATOM 517 C VAL A2044 -3.493 11.512 5.349 1.00 13.44 C ATOM 518 O VAL A2044 -2.786 10.536 5.102 1.00 5.32 O ATOM 519 CB VAL A2044 -2.831 13.240 3.593 1.00 12.11 C ATOM 520 CG1 VAL A2044 -1.531 12.433 3.572 1.00 33.25 C ATOM 521 CG2 VAL A2044 -3.207 13.710 2.187 1.00 45.54 C ATOM 0 H VAL A2044 -4.726 14.314 4.749 1.00 44.03 H new ATOM 0 HA VAL A2044 -4.376 11.800 3.434 1.00 41.43 H new ATOM 0 HB VAL A2044 -2.667 14.124 4.209 1.00 12.11 H new ATOM 0 HG11 VAL A2044 -0.739 13.030 3.119 1.00 33.25 H new ATOM 0 HG12 VAL A2044 -1.249 12.170 4.592 1.00 33.25 H new ATOM 0 HG13 VAL A2044 -1.677 11.523 2.990 1.00 33.25 H new ATOM 0 HG21 VAL A2044 -2.382 14.282 1.762 1.00 45.54 H new ATOM 0 HG22 VAL A2044 -3.412 12.845 1.557 1.00 45.54 H new ATOM 0 HG23 VAL A2044 -4.096 14.339 2.239 1.00 45.54 H new ATOM 531 N LYS A2045 -3.903 11.852 6.563 1.00 71.11 N ATOM 532 CA LYS A2045 -3.529 11.069 7.727 1.00 21.32 C ATOM 533 C LYS A2045 -4.295 9.746 7.713 1.00 24.44 C ATOM 534 O LYS A2045 -3.746 8.701 8.062 1.00 33.11 O ATOM 535 CB LYS A2045 -3.729 11.882 9.007 1.00 12.53 C ATOM 536 CG LYS A2045 -5.075 12.611 8.990 1.00 22.34 C ATOM 537 CD LYS A2045 -4.900 14.074 8.581 1.00 61.31 C ATOM 538 CE LYS A2045 -4.846 14.984 9.809 1.00 31.34 C ATOM 539 NZ LYS A2045 -4.130 16.239 9.494 1.00 14.41 N ATOM 0 H LYS A2045 -4.491 12.660 6.765 1.00 71.11 H new ATOM 0 HA LYS A2045 -2.467 10.824 7.696 1.00 21.32 H new ATOM 0 HB2 LYS A2045 -3.680 11.222 9.873 1.00 12.53 H new ATOM 0 HB3 LYS A2045 -2.921 12.606 9.112 1.00 12.53 H new ATOM 0 HG2 LYS A2045 -5.753 12.114 8.296 1.00 22.34 H new ATOM 0 HG3 LYS A2045 -5.534 12.558 9.977 1.00 22.34 H new ATOM 0 HD2 LYS A2045 -3.984 14.186 8.001 1.00 61.31 H new ATOM 0 HD3 LYS A2045 -5.725 14.376 7.936 1.00 61.31 H new ATOM 0 HE2 LYS A2045 -5.858 15.211 10.146 1.00 31.34 H new ATOM 0 HE3 LYS A2045 -4.345 14.469 10.629 1.00 31.34 H new ATOM 0 HZ1 LYS A2045 -4.103 16.845 10.339 1.00 14.41 H new ATOM 0 HZ2 LYS A2045 -3.159 16.019 9.195 1.00 14.41 H new ATOM 0 HZ3 LYS A2045 -4.624 16.737 8.727 1.00 14.41 H new ATOM 552 N GLY A2046 -5.553 9.830 7.304 1.00 43.51 N ATOM 553 CA GLY A2046 -6.401 8.653 7.239 1.00 42.30 C ATOM 554 C GLY A2046 -5.747 7.550 6.402 1.00 54.23 C ATOM 555 O GLY A2046 -5.557 6.433 6.879 1.00 74.21 O ATOM 0 H GLY A2046 -6.005 10.697 7.014 1.00 43.51 H new ATOM 0 HA2 GLY A2046 -6.594 8.284 8.246 1.00 42.30 H new ATOM 0 HA3 GLY A2046 -7.366 8.919 6.806 1.00 42.30 H new ATOM 559 N MET A2047 -5.419 7.906 5.169 1.00 63.41 N ATOM 560 CA MET A2047 -4.789 6.963 4.261 1.00 64.42 C ATOM 561 C MET A2047 -3.451 6.475 4.817 1.00 1.33 C ATOM 562 O MET A2047 -3.188 5.273 4.848 1.00 34.53 O ATOM 563 CB MET A2047 -4.565 7.631 2.903 1.00 53.12 C ATOM 564 CG MET A2047 -4.563 9.156 3.036 1.00 35.34 C ATOM 565 SD MET A2047 -3.723 9.889 1.644 1.00 74.00 S ATOM 566 CE MET A2047 -2.120 9.125 1.811 1.00 2.40 C ATOM 0 H MET A2047 -5.578 8.834 4.777 1.00 63.41 H new ATOM 0 HA MET A2047 -5.449 6.103 4.148 1.00 64.42 H new ATOM 0 HB2 MET A2047 -3.617 7.298 2.482 1.00 53.12 H new ATOM 0 HB3 MET A2047 -5.347 7.324 2.209 1.00 53.12 H new ATOM 0 HG2 MET A2047 -5.587 9.526 3.089 1.00 35.34 H new ATOM 0 HG3 MET A2047 -4.070 9.448 3.963 1.00 35.34 H new ATOM 0 HE1 MET A2047 -1.343 9.857 1.591 1.00 2.40 H new ATOM 0 HE2 MET A2047 -1.996 8.759 2.830 1.00 2.40 H new ATOM 0 HE3 MET A2047 -2.040 8.291 1.114 1.00 2.40 H new ATOM 576 N PHE A2048 -2.639 7.431 5.244 1.00 55.12 N ATOM 577 CA PHE A2048 -1.335 7.115 5.798 1.00 61.15 C ATOM 578 C PHE A2048 -1.466 6.232 7.040 1.00 41.01 C ATOM 579 O PHE A2048 -0.722 5.266 7.200 1.00 32.32 O ATOM 580 CB PHE A2048 -0.684 8.442 6.196 1.00 31.51 C ATOM 581 CG PHE A2048 0.020 9.160 5.043 1.00 54.12 C ATOM 582 CD1 PHE A2048 0.513 8.447 3.997 1.00 24.13 C ATOM 583 CD2 PHE A2048 0.153 10.513 5.067 1.00 60.13 C ATOM 584 CE1 PHE A2048 1.165 9.114 2.926 1.00 1.31 C ATOM 585 CE2 PHE A2048 0.807 11.181 3.996 1.00 13.35 C ATOM 586 CZ PHE A2048 1.298 10.466 2.950 1.00 43.43 C ATOM 0 H PHE A2048 -2.860 8.426 5.217 1.00 55.12 H new ATOM 0 HA PHE A2048 -0.740 6.574 5.062 1.00 61.15 H new ATOM 0 HB2 PHE A2048 -1.448 9.101 6.608 1.00 31.51 H new ATOM 0 HB3 PHE A2048 0.039 8.256 6.990 1.00 31.51 H new ATOM 0 HD1 PHE A2048 0.409 7.372 3.980 1.00 24.13 H new ATOM 0 HD2 PHE A2048 -0.238 11.080 5.899 1.00 60.13 H new ATOM 0 HE1 PHE A2048 1.555 8.547 2.093 1.00 1.31 H new ATOM 0 HE2 PHE A2048 0.913 12.256 4.014 1.00 13.35 H new ATOM 0 HZ PHE A2048 1.795 10.973 2.136 1.00 43.43 H new ATOM 596 N GLU A2049 -2.417 6.594 7.889 1.00 54.24 N ATOM 597 CA GLU A2049 -2.657 5.849 9.110 1.00 3.44 C ATOM 598 C GLU A2049 -3.316 4.506 8.793 1.00 25.02 C ATOM 599 O GLU A2049 -3.383 3.623 9.647 1.00 34.11 O ATOM 600 CB GLU A2049 -3.505 6.657 10.092 1.00 54.05 C ATOM 601 CG GLU A2049 -4.976 6.661 9.672 1.00 41.32 C ATOM 602 CD GLU A2049 -5.857 7.278 10.759 1.00 73.34 C ATOM 603 OE1 GLU A2049 -5.724 8.475 11.058 1.00 70.41 O ATOM 604 OE2 GLU A2049 -6.703 6.471 11.300 1.00 5.13 O ATOM 0 H GLU A2049 -3.032 7.397 7.753 1.00 54.24 H new ATOM 0 HA GLU A2049 -1.696 5.657 9.587 1.00 3.44 H new ATOM 0 HB2 GLU A2049 -3.410 6.235 11.093 1.00 54.05 H new ATOM 0 HB3 GLU A2049 -3.134 7.681 10.141 1.00 54.05 H new ATOM 0 HG2 GLU A2049 -5.091 7.222 8.744 1.00 41.32 H new ATOM 0 HG3 GLU A2049 -5.303 5.641 9.470 1.00 41.32 H new ATOM 612 N VAL A2050 -3.789 4.392 7.560 1.00 44.24 N ATOM 613 CA VAL A2050 -4.442 3.173 7.117 1.00 20.11 C ATOM 614 C VAL A2050 -3.383 2.176 6.640 1.00 24.04 C ATOM 615 O VAL A2050 -3.438 0.995 6.981 1.00 62.15 O ATOM 616 CB VAL A2050 -5.485 3.496 6.045 1.00 12.24 C ATOM 617 CG1 VAL A2050 -5.815 2.257 5.210 1.00 70.04 C ATOM 618 CG2 VAL A2050 -6.749 4.089 6.672 1.00 24.51 C ATOM 0 H VAL A2050 -3.732 5.126 6.854 1.00 44.24 H new ATOM 0 HA VAL A2050 -4.979 2.707 7.943 1.00 20.11 H new ATOM 0 HB VAL A2050 -5.059 4.245 5.377 1.00 12.24 H new ATOM 0 HG11 VAL A2050 -6.559 2.514 4.456 1.00 70.04 H new ATOM 0 HG12 VAL A2050 -4.910 1.897 4.720 1.00 70.04 H new ATOM 0 HG13 VAL A2050 -6.211 1.476 5.859 1.00 70.04 H new ATOM 0 HG21 VAL A2050 -7.474 4.310 5.889 1.00 24.51 H new ATOM 0 HG22 VAL A2050 -7.178 3.373 7.373 1.00 24.51 H new ATOM 0 HG23 VAL A2050 -6.496 5.008 7.202 1.00 24.51 H new ATOM 628 N LEU A2051 -2.444 2.688 5.858 1.00 33.41 N ATOM 629 CA LEU A2051 -1.375 1.860 5.331 1.00 31.10 C ATOM 630 C LEU A2051 -0.334 1.617 6.427 1.00 72.43 C ATOM 631 O LEU A2051 0.151 0.500 6.590 1.00 54.42 O ATOM 632 CB LEU A2051 -0.795 2.479 4.058 1.00 65.12 C ATOM 633 CG LEU A2051 -1.743 3.367 3.251 1.00 24.32 C ATOM 634 CD1 LEU A2051 -1.250 3.531 1.812 1.00 52.54 C ATOM 635 CD2 LEU A2051 -3.175 2.831 3.308 1.00 53.22 C ATOM 0 H LEU A2051 -2.402 3.668 5.577 1.00 33.41 H new ATOM 0 HA LEU A2051 -1.760 0.884 5.036 1.00 31.10 H new ATOM 0 HB2 LEU A2051 0.080 3.070 4.331 1.00 65.12 H new ATOM 0 HB3 LEU A2051 -0.446 1.673 3.412 1.00 65.12 H new ATOM 0 HG LEU A2051 -1.751 4.359 3.703 1.00 24.32 H new ATOM 0 HD11 LEU A2051 -1.942 4.167 1.260 1.00 52.54 H new ATOM 0 HD12 LEU A2051 -0.261 3.989 1.816 1.00 52.54 H new ATOM 0 HD13 LEU A2051 -1.195 2.554 1.333 1.00 52.54 H new ATOM 0 HD21 LEU A2051 -3.830 3.480 2.726 1.00 53.22 H new ATOM 0 HD22 LEU A2051 -3.203 1.823 2.895 1.00 53.22 H new ATOM 0 HD23 LEU A2051 -3.514 2.808 4.344 1.00 53.22 H new ATOM 647 N GLU A2052 -0.024 2.684 7.148 1.00 30.33 N ATOM 648 CA GLU A2052 0.949 2.601 8.224 1.00 52.24 C ATOM 649 C GLU A2052 0.816 1.267 8.959 1.00 13.44 C ATOM 650 O GLU A2052 1.790 0.530 9.099 1.00 40.44 O ATOM 651 CB GLU A2052 0.799 3.778 9.190 1.00 11.42 C ATOM 652 CG GLU A2052 1.980 4.745 9.066 1.00 45.12 C ATOM 653 CD GLU A2052 1.674 5.858 8.062 1.00 10.33 C ATOM 654 OE1 GLU A2052 1.681 5.615 6.846 1.00 51.23 O ATOM 655 OE2 GLU A2052 1.419 7.009 8.586 1.00 21.30 O ATOM 0 H GLU A2052 -0.429 3.610 7.009 1.00 30.33 H new ATOM 0 HA GLU A2052 1.947 2.655 7.790 1.00 52.24 H new ATOM 0 HB2 GLU A2052 -0.131 4.307 8.983 1.00 11.42 H new ATOM 0 HB3 GLU A2052 0.734 3.407 10.213 1.00 11.42 H new ATOM 0 HG2 GLU A2052 2.202 5.180 10.040 1.00 45.12 H new ATOM 0 HG3 GLU A2052 2.869 4.200 8.750 1.00 45.12 H new ATOM 663 N PRO A2053 -0.431 0.990 9.425 1.00 15.11 N ATOM 664 CA PRO A2053 -0.706 -0.242 10.145 1.00 3.33 C ATOM 665 C PRO A2053 -0.760 -1.434 9.187 1.00 70.14 C ATOM 666 O PRO A2053 -0.136 -2.465 9.437 1.00 51.34 O ATOM 667 CB PRO A2053 -2.023 0.004 10.862 1.00 41.23 C ATOM 668 CG PRO A2053 -2.669 1.184 10.153 1.00 54.55 C ATOM 669 CD PRO A2053 -1.611 1.840 9.281 1.00 52.44 C ATOM 0 HA PRO A2053 0.077 -0.496 10.859 1.00 3.33 H new ATOM 0 HB2 PRO A2053 -2.663 -0.877 10.817 1.00 41.23 H new ATOM 0 HB3 PRO A2053 -1.858 0.224 11.917 1.00 41.23 H new ATOM 0 HG2 PRO A2053 -3.511 0.850 9.546 1.00 54.55 H new ATOM 0 HG3 PRO A2053 -3.062 1.897 10.878 1.00 54.55 H new ATOM 0 HD2 PRO A2053 -1.934 1.896 8.241 1.00 52.44 H new ATOM 0 HD3 PRO A2053 -1.406 2.860 9.607 1.00 52.44 H new ATOM 677 N LEU A2054 -1.512 -1.254 8.111 1.00 34.12 N ATOM 678 CA LEU A2054 -1.656 -2.303 7.115 1.00 23.14 C ATOM 679 C LEU A2054 -0.274 -2.849 6.754 1.00 24.45 C ATOM 680 O LEU A2054 -0.033 -4.052 6.853 1.00 75.12 O ATOM 681 CB LEU A2054 -2.451 -1.792 5.912 1.00 45.01 C ATOM 682 CG LEU A2054 -3.968 -1.716 6.093 1.00 5.54 C ATOM 683 CD1 LEU A2054 -4.635 -1.086 4.869 1.00 42.20 C ATOM 684 CD2 LEU A2054 -4.550 -3.091 6.420 1.00 34.54 C ATOM 0 H LEU A2054 -2.028 -0.398 7.907 1.00 34.12 H new ATOM 0 HA LEU A2054 -2.232 -3.136 7.517 1.00 23.14 H new ATOM 0 HB2 LEU A2054 -2.085 -0.797 5.656 1.00 45.01 H new ATOM 0 HB3 LEU A2054 -2.239 -2.438 5.060 1.00 45.01 H new ATOM 0 HG LEU A2054 -4.179 -1.067 6.943 1.00 5.54 H new ATOM 0 HD11 LEU A2054 -5.713 -1.044 5.024 1.00 42.20 H new ATOM 0 HD12 LEU A2054 -4.250 -0.077 4.724 1.00 42.20 H new ATOM 0 HD13 LEU A2054 -4.418 -1.688 3.986 1.00 42.20 H new ATOM 0 HD21 LEU A2054 -5.630 -3.009 6.544 1.00 34.54 H new ATOM 0 HD22 LEU A2054 -4.329 -3.782 5.607 1.00 34.54 H new ATOM 0 HD23 LEU A2054 -4.106 -3.464 7.343 1.00 34.54 H new ATOM 696 N HIS A2055 0.598 -1.942 6.340 1.00 73.12 N ATOM 697 CA HIS A2055 1.949 -2.318 5.961 1.00 0.33 C ATOM 698 C HIS A2055 2.661 -2.946 7.162 1.00 22.23 C ATOM 699 O HIS A2055 3.215 -4.039 7.057 1.00 25.51 O ATOM 700 CB HIS A2055 2.706 -1.119 5.386 1.00 60.11 C ATOM 701 CG HIS A2055 2.114 -0.577 4.107 1.00 32.33 C ATOM 702 ND1 HIS A2055 1.424 -1.201 3.107 1.00 21.20 N flip ATOM 703 CD2 HIS A2055 2.201 0.757 3.746 1.00 3.31 C flip ATOM 704 CE1 HIS A2055 1.109 -0.299 2.189 1.00 23.33 C flip ATOM 705 NE2 HIS A2055 1.591 0.916 2.581 1.00 64.43 N flip ATOM 0 H HIS A2055 0.395 -0.946 6.259 1.00 73.12 H new ATOM 0 HA HIS A2055 1.914 -3.066 5.169 1.00 0.33 H new ATOM 0 HB2 HIS A2055 2.726 -0.324 6.131 1.00 60.11 H new ATOM 0 HB3 HIS A2055 3.740 -1.409 5.201 1.00 60.11 H new ATOM 0 HD2 HIS A2055 2.684 1.536 4.317 1.00 3.31 H new ATOM 0 HE1 HIS A2055 0.560 -0.494 1.279 1.00 23.33 H new ATOM 0 HE2 HIS A2055 1.498 1.792 2.067 1.00 64.43 H new ATOM 714 N ALA A2056 2.622 -2.228 8.275 1.00 4.22 N ATOM 715 CA ALA A2056 3.257 -2.703 9.493 1.00 11.42 C ATOM 716 C ALA A2056 2.780 -4.127 9.789 1.00 14.43 C ATOM 717 O ALA A2056 3.593 -5.015 10.049 1.00 12.41 O ATOM 718 CB ALA A2056 2.949 -1.736 10.639 1.00 44.20 C ATOM 0 H ALA A2056 2.161 -1.322 8.359 1.00 4.22 H new ATOM 0 HA ALA A2056 4.340 -2.735 9.374 1.00 11.42 H new ATOM 0 HB1 ALA A2056 3.425 -2.092 11.553 1.00 44.20 H new ATOM 0 HB2 ALA A2056 3.332 -0.746 10.392 1.00 44.20 H new ATOM 0 HB3 ALA A2056 1.871 -1.681 10.789 1.00 44.20 H new ATOM 724 N MET A2057 1.469 -4.301 9.740 1.00 40.14 N ATOM 725 CA MET A2057 0.876 -5.602 10.000 1.00 31.20 C ATOM 726 C MET A2057 1.557 -6.690 9.169 1.00 72.00 C ATOM 727 O MET A2057 1.814 -7.786 9.665 1.00 34.13 O ATOM 728 CB MET A2057 -0.615 -5.560 9.663 1.00 22.05 C ATOM 729 CG MET A2057 -0.964 -6.591 8.587 1.00 14.32 C ATOM 730 SD MET A2057 -2.726 -6.604 8.303 1.00 62.11 S ATOM 731 CE MET A2057 -2.759 -7.088 6.586 1.00 42.45 C ATOM 0 H MET A2057 0.799 -3.563 9.524 1.00 40.14 H new ATOM 0 HA MET A2057 1.012 -5.838 11.055 1.00 31.20 H new ATOM 0 HB2 MET A2057 -1.200 -5.755 10.562 1.00 22.05 H new ATOM 0 HB3 MET A2057 -0.885 -4.562 9.317 1.00 22.05 H new ATOM 0 HG2 MET A2057 -0.440 -6.354 7.661 1.00 14.32 H new ATOM 0 HG3 MET A2057 -0.630 -7.581 8.898 1.00 14.32 H new ATOM 0 HE1 MET A2057 -3.698 -7.598 6.370 1.00 42.45 H new ATOM 0 HE2 MET A2057 -2.674 -6.202 5.957 1.00 42.45 H new ATOM 0 HE3 MET A2057 -1.925 -7.760 6.381 1.00 42.45 H new ATOM 741 N MET A2058 1.830 -6.352 7.916 1.00 53.41 N ATOM 742 CA MET A2058 2.477 -7.286 7.012 1.00 32.32 C ATOM 743 C MET A2058 3.899 -7.605 7.478 1.00 53.55 C ATOM 744 O MET A2058 4.376 -8.725 7.304 1.00 32.04 O ATOM 745 CB MET A2058 2.521 -6.687 5.605 1.00 4.12 C ATOM 746 CG MET A2058 1.163 -6.098 5.217 1.00 42.40 C ATOM 747 SD MET A2058 0.756 -6.553 3.540 1.00 22.41 S ATOM 748 CE MET A2058 -0.753 -7.464 3.823 1.00 72.24 C ATOM 0 H MET A2058 1.614 -5.443 7.507 1.00 53.41 H new ATOM 0 HA MET A2058 1.902 -8.212 7.004 1.00 32.32 H new ATOM 0 HB2 MET A2058 3.284 -5.910 5.560 1.00 4.12 H new ATOM 0 HB3 MET A2058 2.806 -7.456 4.887 1.00 4.12 H new ATOM 0 HG2 MET A2058 0.393 -6.460 5.898 1.00 42.40 H new ATOM 0 HG3 MET A2058 1.188 -5.012 5.312 1.00 42.40 H new ATOM 0 HE1 MET A2058 -1.069 -7.942 2.896 1.00 72.24 H new ATOM 0 HE2 MET A2058 -0.581 -8.226 4.584 1.00 72.24 H new ATOM 0 HE3 MET A2058 -1.532 -6.781 4.163 1.00 72.24 H new ATOM 758 N GLU A2059 4.537 -6.597 8.055 1.00 4.34 N ATOM 759 CA GLU A2059 5.897 -6.757 8.547 1.00 75.22 C ATOM 760 C GLU A2059 5.902 -7.567 9.844 1.00 54.03 C ATOM 761 O GLU A2059 6.470 -8.656 9.897 1.00 11.54 O ATOM 762 CB GLU A2059 6.569 -5.396 8.745 1.00 15.32 C ATOM 763 CG GLU A2059 6.160 -4.416 7.645 1.00 52.22 C ATOM 764 CD GLU A2059 6.072 -5.119 6.290 1.00 63.22 C ATOM 765 OE1 GLU A2059 6.878 -6.016 6.002 1.00 65.12 O ATOM 766 OE2 GLU A2059 5.123 -4.704 5.520 1.00 1.31 O ATOM 0 H GLU A2059 4.139 -5.668 8.193 1.00 4.34 H new ATOM 0 HA GLU A2059 6.472 -7.305 7.800 1.00 75.22 H new ATOM 0 HB2 GLU A2059 6.295 -4.990 9.719 1.00 15.32 H new ATOM 0 HB3 GLU A2059 7.652 -5.518 8.744 1.00 15.32 H new ATOM 0 HG2 GLU A2059 5.196 -3.970 7.890 1.00 52.22 H new ATOM 0 HG3 GLU A2059 6.883 -3.602 7.590 1.00 52.22 H new ATOM 774 N ARG A2060 5.260 -7.003 10.859 1.00 44.34 N ATOM 775 CA ARG A2060 5.184 -7.660 12.152 1.00 1.30 C ATOM 776 C ARG A2060 4.230 -8.854 12.086 1.00 44.31 C ATOM 777 O ARG A2060 4.138 -9.632 13.034 1.00 23.13 O ATOM 778 CB ARG A2060 4.702 -6.691 13.233 1.00 53.35 C ATOM 779 CG ARG A2060 3.272 -6.222 12.953 1.00 4.33 C ATOM 780 CD ARG A2060 2.708 -5.441 14.140 1.00 53.24 C ATOM 781 NE ARG A2060 1.884 -6.331 14.988 1.00 71.31 N ATOM 782 CZ ARG A2060 1.428 -5.999 16.214 1.00 43.14 C ATOM 783 NH1 ARG A2060 1.712 -4.793 16.748 1.00 43.44 N ATOM 784 NH2 ARG A2060 0.699 -6.873 16.883 1.00 0.14 N ATOM 0 H ARG A2060 4.789 -6.100 10.811 1.00 44.34 H new ATOM 0 HA ARG A2060 6.186 -8.005 12.408 1.00 1.30 H new ATOM 0 HB2 ARG A2060 4.744 -7.178 14.207 1.00 53.35 H new ATOM 0 HB3 ARG A2060 5.369 -5.830 13.278 1.00 53.35 H new ATOM 0 HG2 ARG A2060 3.259 -5.595 12.062 1.00 4.33 H new ATOM 0 HG3 ARG A2060 2.637 -7.083 12.746 1.00 4.33 H new ATOM 0 HD2 ARG A2060 3.523 -5.018 14.727 1.00 53.24 H new ATOM 0 HD3 ARG A2060 2.106 -4.606 13.783 1.00 53.24 H new ATOM 0 HE ARG A2060 1.646 -7.253 14.623 1.00 71.31 H new ATOM 0 HH11 ARG A2060 2.276 -4.123 16.224 1.00 43.44 H new ATOM 0 HH12 ARG A2060 1.363 -4.551 17.675 1.00 43.44 H new ATOM 0 HH21 ARG A2060 0.489 -7.783 16.472 1.00 0.14 H new ATOM 0 HH22 ARG A2060 0.346 -6.639 17.811 1.00 0.14 H new ATOM 796 N GLY A2061 3.547 -8.962 10.956 1.00 23.44 N ATOM 797 CA GLY A2061 2.604 -10.050 10.754 1.00 41.03 C ATOM 798 C GLY A2061 2.925 -10.821 9.473 1.00 44.10 C ATOM 799 O GLY A2061 2.157 -10.784 8.511 1.00 52.40 O ATOM 0 H GLY A2061 3.627 -8.315 10.171 1.00 23.44 H new ATOM 0 HA2 GLY A2061 2.635 -10.727 11.608 1.00 41.03 H new ATOM 0 HA3 GLY A2061 1.591 -9.653 10.699 1.00 41.03 H new ATOM 803 N PRO A2062 4.090 -11.522 9.501 1.00 63.35 N ATOM 804 CA PRO A2062 4.521 -12.302 8.353 1.00 22.32 C ATOM 805 C PRO A2062 3.709 -13.594 8.229 1.00 74.10 C ATOM 806 O PRO A2062 2.621 -13.701 8.794 1.00 34.23 O ATOM 807 CB PRO A2062 6.003 -12.553 8.581 1.00 5.24 C ATOM 808 CG PRO A2062 6.243 -12.308 10.063 1.00 73.44 C ATOM 809 CD PRO A2062 5.024 -11.590 10.620 1.00 32.24 C ATOM 0 HA PRO A2062 4.358 -11.783 7.409 1.00 22.32 H new ATOM 0 HB2 PRO A2062 6.274 -13.572 8.304 1.00 5.24 H new ATOM 0 HB3 PRO A2062 6.611 -11.885 7.971 1.00 5.24 H new ATOM 0 HG2 PRO A2062 6.402 -13.252 10.585 1.00 73.44 H new ATOM 0 HG3 PRO A2062 7.140 -11.707 10.210 1.00 73.44 H new ATOM 0 HD2 PRO A2062 4.595 -12.134 11.462 1.00 32.24 H new ATOM 0 HD3 PRO A2062 5.282 -10.595 10.982 1.00 32.24 H new ATOM 817 N GLN A2063 4.267 -14.537 7.487 1.00 21.23 N ATOM 818 CA GLN A2063 3.606 -15.816 7.283 1.00 11.30 C ATOM 819 C GLN A2063 4.641 -16.908 7.000 1.00 34.42 C ATOM 820 O GLN A2063 4.916 -17.744 7.859 1.00 31.05 O ATOM 821 CB GLN A2063 2.579 -15.728 6.152 1.00 51.23 C ATOM 822 CG GLN A2063 1.156 -15.873 6.694 1.00 73.13 C ATOM 823 CD GLN A2063 0.223 -14.837 6.062 1.00 1.44 C ATOM 824 OE1 GLN A2063 -0.690 -15.356 5.245 1.00 73.23 O flip ATOM 825 NE2 GLN A2063 0.324 -13.645 6.303 1.00 11.25 N flip ATOM 0 H GLN A2063 5.169 -14.443 7.019 1.00 21.23 H new ATOM 0 HA GLN A2063 3.071 -16.077 8.196 1.00 11.30 H new ATOM 0 HB2 GLN A2063 2.681 -14.773 5.637 1.00 51.23 H new ATOM 0 HB3 GLN A2063 2.774 -16.509 5.417 1.00 51.23 H new ATOM 0 HG2 GLN A2063 0.784 -16.877 6.488 1.00 73.13 H new ATOM 0 HG3 GLN A2063 1.161 -15.751 7.777 1.00 73.13 H new ATOM 0 HE21 GLN A2063 1.048 -13.313 6.940 1.00 11.25 H new ATOM 0 HE22 GLN A2063 -0.316 -12.981 5.867 1.00 11.25 H new ATOM 834 N THR A2064 5.187 -16.864 5.794 1.00 20.51 N ATOM 835 CA THR A2064 6.185 -17.839 5.388 1.00 73.41 C ATOM 836 C THR A2064 7.003 -17.305 4.210 1.00 11.12 C ATOM 837 O THR A2064 6.722 -16.226 3.693 1.00 71.10 O ATOM 838 CB THR A2064 5.464 -19.153 5.079 1.00 52.12 C ATOM 839 OG1 THR A2064 4.293 -18.749 4.372 1.00 21.14 O ATOM 840 CG2 THR A2064 4.923 -19.834 6.338 1.00 13.32 C ATOM 0 H THR A2064 4.957 -16.168 5.084 1.00 20.51 H new ATOM 0 HA THR A2064 6.904 -18.025 6.186 1.00 73.41 H new ATOM 0 HB THR A2064 6.147 -19.830 4.565 1.00 52.12 H new ATOM 0 HG1 THR A2064 3.767 -19.540 4.131 1.00 21.14 H new ATOM 0 HG21 THR A2064 4.421 -20.761 6.063 1.00 13.32 H new ATOM 0 HG22 THR A2064 5.748 -20.055 7.015 1.00 13.32 H new ATOM 0 HG23 THR A2064 4.214 -19.171 6.834 1.00 13.32 H new ATOM 848 N LEU A2065 8.001 -18.085 3.824 1.00 43.02 N ATOM 849 CA LEU A2065 8.863 -17.705 2.718 1.00 2.31 C ATOM 850 C LEU A2065 8.006 -17.397 1.490 1.00 64.21 C ATOM 851 O LEU A2065 8.406 -16.620 0.627 1.00 44.45 O ATOM 852 CB LEU A2065 9.927 -18.778 2.474 1.00 13.12 C ATOM 853 CG LEU A2065 11.362 -18.276 2.309 1.00 3.04 C ATOM 854 CD1 LEU A2065 11.569 -17.646 0.931 1.00 13.24 C ATOM 855 CD2 LEU A2065 11.740 -17.317 3.440 1.00 32.20 C ATOM 0 H LEU A2065 8.232 -18.979 4.257 1.00 43.02 H new ATOM 0 HA LEU A2065 9.412 -16.795 2.959 1.00 2.31 H new ATOM 0 HB2 LEU A2065 9.903 -19.481 3.307 1.00 13.12 H new ATOM 0 HB3 LEU A2065 9.653 -19.335 1.578 1.00 13.12 H new ATOM 0 HG LEU A2065 12.033 -19.133 2.374 1.00 3.04 H new ATOM 0 HD11 LEU A2065 12.598 -17.298 0.841 1.00 13.24 H new ATOM 0 HD12 LEU A2065 11.368 -18.388 0.158 1.00 13.24 H new ATOM 0 HD13 LEU A2065 10.889 -16.803 0.810 1.00 13.24 H new ATOM 0 HD21 LEU A2065 12.765 -16.975 3.299 1.00 32.20 H new ATOM 0 HD22 LEU A2065 11.067 -16.460 3.431 1.00 32.20 H new ATOM 0 HD23 LEU A2065 11.658 -17.833 4.397 1.00 32.20 H new ATOM 867 N LYS A2066 6.838 -18.027 1.450 1.00 40.31 N ATOM 868 CA LYS A2066 5.920 -17.830 0.342 1.00 41.42 C ATOM 869 C LYS A2066 5.277 -16.446 0.456 1.00 33.34 C ATOM 870 O LYS A2066 5.238 -15.694 -0.515 1.00 34.24 O ATOM 871 CB LYS A2066 4.907 -18.975 0.276 1.00 13.42 C ATOM 872 CG LYS A2066 5.501 -20.192 -0.438 1.00 34.12 C ATOM 873 CD LYS A2066 4.972 -20.298 -1.869 1.00 41.51 C ATOM 874 CE LYS A2066 4.880 -21.758 -2.311 1.00 21.32 C ATOM 875 NZ LYS A2066 3.467 -22.202 -2.342 1.00 13.05 N ATOM 0 H LYS A2066 6.509 -18.673 2.167 1.00 40.31 H new ATOM 0 HA LYS A2066 6.457 -17.854 -0.606 1.00 41.42 H new ATOM 0 HB2 LYS A2066 4.602 -19.254 1.285 1.00 13.42 H new ATOM 0 HB3 LYS A2066 4.011 -18.643 -0.248 1.00 13.42 H new ATOM 0 HG2 LYS A2066 6.588 -20.115 -0.453 1.00 34.12 H new ATOM 0 HG3 LYS A2066 5.253 -21.099 0.114 1.00 34.12 H new ATOM 0 HD2 LYS A2066 3.989 -19.832 -1.933 1.00 41.51 H new ATOM 0 HD3 LYS A2066 5.629 -19.750 -2.545 1.00 41.51 H new ATOM 0 HE2 LYS A2066 5.326 -21.874 -3.299 1.00 21.32 H new ATOM 0 HE3 LYS A2066 5.450 -22.388 -1.628 1.00 21.32 H new ATOM 0 HZ1 LYS A2066 3.422 -23.196 -2.644 1.00 13.05 H new ATOM 0 HZ2 LYS A2066 3.053 -22.110 -1.392 1.00 13.05 H new ATOM 0 HZ3 LYS A2066 2.932 -21.612 -3.011 1.00 13.05 H new ATOM 888 N GLU A2067 4.790 -16.152 1.654 1.00 4.22 N ATOM 889 CA GLU A2067 4.150 -14.872 1.909 1.00 2.42 C ATOM 890 C GLU A2067 5.183 -13.744 1.850 1.00 13.23 C ATOM 891 O GLU A2067 4.885 -12.651 1.370 1.00 4.31 O ATOM 892 CB GLU A2067 3.422 -14.882 3.254 1.00 2.12 C ATOM 893 CG GLU A2067 1.916 -14.697 3.062 1.00 15.22 C ATOM 894 CD GLU A2067 1.620 -13.477 2.187 1.00 74.21 C ATOM 895 OE1 GLU A2067 2.545 -12.736 1.825 1.00 60.52 O ATOM 896 OE2 GLU A2067 0.377 -13.314 1.885 1.00 61.11 O ATOM 0 H GLU A2067 4.826 -16.778 2.458 1.00 4.22 H new ATOM 0 HA GLU A2067 3.405 -14.697 1.133 1.00 2.42 H new ATOM 0 HB2 GLU A2067 3.614 -15.823 3.769 1.00 2.12 H new ATOM 0 HB3 GLU A2067 3.812 -14.086 3.889 1.00 2.12 H new ATOM 0 HG2 GLU A2067 1.492 -15.590 2.602 1.00 15.22 H new ATOM 0 HG3 GLU A2067 1.434 -14.578 4.032 1.00 15.22 H new ATOM 904 N THR A2068 6.373 -14.046 2.347 1.00 32.35 N ATOM 905 CA THR A2068 7.450 -13.070 2.358 1.00 32.32 C ATOM 906 C THR A2068 7.681 -12.517 0.953 1.00 64.12 C ATOM 907 O THR A2068 7.987 -11.338 0.788 1.00 41.44 O ATOM 908 CB THR A2068 8.687 -13.739 2.960 1.00 20.04 C ATOM 909 OG1 THR A2068 8.934 -14.850 2.101 1.00 30.20 O ATOM 910 CG2 THR A2068 8.405 -14.377 4.322 1.00 21.32 C ATOM 0 H THR A2068 6.616 -14.953 2.745 1.00 32.35 H new ATOM 0 HA THR A2068 7.197 -12.207 2.975 1.00 32.32 H new ATOM 0 HB THR A2068 9.483 -13.002 3.063 1.00 20.04 H new ATOM 0 HG1 THR A2068 8.108 -15.090 1.630 1.00 30.20 H new ATOM 0 HG21 THR A2068 9.316 -14.837 4.704 1.00 21.32 H new ATOM 0 HG22 THR A2068 8.066 -13.611 5.019 1.00 21.32 H new ATOM 0 HG23 THR A2068 7.632 -15.138 4.214 1.00 21.32 H new ATOM 918 N SER A2069 7.527 -13.395 -0.029 1.00 41.54 N ATOM 919 CA SER A2069 7.715 -13.007 -1.417 1.00 23.24 C ATOM 920 C SER A2069 6.833 -11.803 -1.748 1.00 50.02 C ATOM 921 O SER A2069 7.240 -10.920 -2.503 1.00 42.12 O ATOM 922 CB SER A2069 7.401 -14.171 -2.360 1.00 64.10 C ATOM 923 OG SER A2069 8.421 -14.356 -3.338 1.00 33.03 O ATOM 0 H SER A2069 7.274 -14.373 0.110 1.00 41.54 H new ATOM 0 HA SER A2069 8.760 -12.732 -1.557 1.00 23.24 H new ATOM 0 HB2 SER A2069 7.285 -15.086 -1.780 1.00 64.10 H new ATOM 0 HB3 SER A2069 6.450 -13.987 -2.859 1.00 64.10 H new ATOM 0 HG SER A2069 8.184 -15.109 -3.919 1.00 33.03 H new ATOM 929 N PHE A2070 5.641 -11.805 -1.170 1.00 60.45 N ATOM 930 CA PHE A2070 4.698 -10.723 -1.396 1.00 75.33 C ATOM 931 C PHE A2070 5.138 -9.452 -0.667 1.00 41.13 C ATOM 932 O PHE A2070 5.249 -8.390 -1.277 1.00 50.45 O ATOM 933 CB PHE A2070 3.352 -11.180 -0.832 1.00 34.54 C ATOM 934 CG PHE A2070 2.256 -10.113 -0.897 1.00 12.51 C ATOM 935 CD1 PHE A2070 2.143 -9.193 0.098 1.00 72.25 C ATOM 936 CD2 PHE A2070 1.395 -10.085 -1.949 1.00 31.22 C ATOM 937 CE1 PHE A2070 1.125 -8.203 0.037 1.00 11.40 C ATOM 938 CE2 PHE A2070 0.378 -9.095 -2.011 1.00 2.13 C ATOM 939 CZ PHE A2070 0.266 -8.174 -1.015 1.00 3.44 C ATOM 0 H PHE A2070 5.307 -12.539 -0.545 1.00 60.45 H new ATOM 0 HA PHE A2070 4.638 -10.497 -2.461 1.00 75.33 H new ATOM 0 HB2 PHE A2070 3.020 -12.061 -1.381 1.00 34.54 H new ATOM 0 HB3 PHE A2070 3.489 -11.483 0.206 1.00 34.54 H new ATOM 0 HD1 PHE A2070 2.826 -9.215 0.934 1.00 72.25 H new ATOM 0 HD2 PHE A2070 1.484 -10.816 -2.739 1.00 31.22 H new ATOM 0 HE1 PHE A2070 1.034 -7.473 0.828 1.00 11.40 H new ATOM 0 HE2 PHE A2070 -0.305 -9.073 -2.847 1.00 2.13 H new ATOM 0 HZ PHE A2070 -0.506 -7.420 -1.061 1.00 3.44 H new ATOM 949 N ASN A2071 5.378 -9.603 0.627 1.00 63.12 N ATOM 950 CA ASN A2071 5.805 -8.479 1.445 1.00 71.53 C ATOM 951 C ASN A2071 7.179 -8.004 0.974 1.00 45.41 C ATOM 952 O ASN A2071 7.511 -6.826 1.101 1.00 34.32 O ATOM 953 CB ASN A2071 5.921 -8.882 2.916 1.00 3.31 C ATOM 954 CG ASN A2071 6.430 -7.714 3.765 1.00 4.24 C ATOM 955 OD1 ASN A2071 5.719 -6.766 4.051 1.00 44.45 O ATOM 956 ND2 ASN A2071 7.696 -7.840 4.151 1.00 43.41 N ATOM 0 H ASN A2071 5.285 -10.486 1.130 1.00 63.12 H new ATOM 0 HA ASN A2071 5.062 -7.688 1.346 1.00 71.53 H new ATOM 0 HB2 ASN A2071 4.949 -9.208 3.285 1.00 3.31 H new ATOM 0 HB3 ASN A2071 6.600 -9.730 3.012 1.00 3.31 H new ATOM 0 HD21 ASN A2071 8.129 -7.115 4.723 1.00 43.41 H new ATOM 0 HD22 ASN A2071 8.234 -8.661 3.875 1.00 43.41 H new ATOM 963 N GLN A2072 7.946 -8.945 0.439 1.00 34.35 N ATOM 964 CA GLN A2072 9.278 -8.637 -0.051 1.00 23.21 C ATOM 965 C GLN A2072 9.196 -7.956 -1.418 1.00 0.00 C ATOM 966 O GLN A2072 9.787 -6.897 -1.625 1.00 30.01 O ATOM 967 CB GLN A2072 10.142 -9.898 -0.118 1.00 13.13 C ATOM 968 CG GLN A2072 10.601 -10.323 1.280 1.00 74.15 C ATOM 969 CD GLN A2072 12.065 -10.768 1.266 1.00 73.34 C ATOM 970 OE1 GLN A2072 12.880 -10.279 0.502 1.00 35.13 O ATOM 971 NE2 GLN A2072 12.349 -11.719 2.150 1.00 21.45 N ATOM 0 H GLN A2072 7.669 -9.921 0.335 1.00 34.35 H new ATOM 0 HA GLN A2072 9.751 -7.948 0.649 1.00 23.21 H new ATOM 0 HB2 GLN A2072 9.576 -10.707 -0.581 1.00 13.13 H new ATOM 0 HB3 GLN A2072 11.011 -9.715 -0.750 1.00 13.13 H new ATOM 0 HG2 GLN A2072 10.476 -9.493 1.975 1.00 74.15 H new ATOM 0 HG3 GLN A2072 9.973 -11.138 1.641 1.00 74.15 H new ATOM 0 HE21 GLN A2072 11.617 -12.084 2.760 1.00 21.45 H new ATOM 0 HE22 GLN A2072 13.299 -12.084 2.219 1.00 21.45 H new ATOM 980 N ALA A2073 8.458 -8.592 -2.318 1.00 3.24 N ATOM 981 CA ALA A2073 8.292 -8.061 -3.660 1.00 10.24 C ATOM 982 C ALA A2073 8.056 -6.552 -3.580 1.00 74.31 C ATOM 983 O ALA A2073 8.722 -5.779 -4.266 1.00 53.30 O ATOM 984 CB ALA A2073 7.146 -8.794 -4.359 1.00 62.23 C ATOM 0 H ALA A2073 7.969 -9.470 -2.143 1.00 3.24 H new ATOM 0 HA ALA A2073 9.193 -8.223 -4.252 1.00 10.24 H new ATOM 0 HB1 ALA A2073 7.020 -8.396 -5.366 1.00 62.23 H new ATOM 0 HB2 ALA A2073 7.375 -9.858 -4.415 1.00 62.23 H new ATOM 0 HB3 ALA A2073 6.224 -8.651 -3.795 1.00 62.23 H new ATOM 990 N TYR A2074 7.104 -6.177 -2.736 1.00 41.55 N ATOM 991 CA TYR A2074 6.772 -4.774 -2.559 1.00 12.31 C ATOM 992 C TYR A2074 7.527 -4.177 -1.368 1.00 64.34 C ATOM 993 O TYR A2074 7.593 -2.959 -1.217 1.00 64.34 O ATOM 994 CB TYR A2074 5.270 -4.730 -2.270 1.00 43.32 C ATOM 995 CG TYR A2074 4.417 -5.481 -3.295 1.00 11.12 C ATOM 996 CD1 TYR A2074 4.608 -5.264 -4.644 1.00 71.21 C ATOM 997 CD2 TYR A2074 3.457 -6.375 -2.868 1.00 23.34 C ATOM 998 CE1 TYR A2074 3.805 -5.970 -5.607 1.00 44.21 C ATOM 999 CE2 TYR A2074 2.653 -7.083 -3.832 1.00 41.32 C ATOM 1000 CZ TYR A2074 2.867 -6.845 -5.154 1.00 14.22 C ATOM 1001 OH TYR A2074 2.109 -7.514 -6.064 1.00 0.30 O ATOM 0 H TYR A2074 6.553 -6.821 -2.168 1.00 41.55 H new ATOM 0 HA TYR A2074 7.045 -4.200 -3.445 1.00 12.31 H new ATOM 0 HB2 TYR A2074 5.088 -5.152 -1.282 1.00 43.32 H new ATOM 0 HB3 TYR A2074 4.947 -3.689 -2.236 1.00 43.32 H new ATOM 0 HD1 TYR A2074 5.360 -4.564 -4.977 1.00 71.21 H new ATOM 0 HD2 TYR A2074 3.308 -6.544 -1.812 1.00 23.34 H new ATOM 0 HE1 TYR A2074 3.944 -5.809 -6.666 1.00 44.21 H new ATOM 0 HE2 TYR A2074 1.898 -7.786 -3.512 1.00 41.32 H new ATOM 0 HH TYR A2074 1.482 -8.105 -5.597 1.00 0.30 H new ATOM 1011 N GLY A2075 8.075 -5.066 -0.552 1.00 63.44 N ATOM 1012 CA GLY A2075 8.821 -4.644 0.620 1.00 54.43 C ATOM 1013 C GLY A2075 9.641 -3.386 0.326 1.00 62.44 C ATOM 1014 O GLY A2075 9.601 -2.422 1.087 1.00 42.31 O ATOM 0 H GLY A2075 8.017 -6.076 -0.680 1.00 63.44 H new ATOM 0 HA2 GLY A2075 8.133 -4.450 1.443 1.00 54.43 H new ATOM 0 HA3 GLY A2075 9.484 -5.447 0.942 1.00 54.43 H new ATOM 1018 N ARG A2076 10.366 -3.439 -0.783 1.00 10.31 N ATOM 1019 CA ARG A2076 11.194 -2.315 -1.189 1.00 2.04 C ATOM 1020 C ARG A2076 10.319 -1.166 -1.692 1.00 44.10 C ATOM 1021 O ARG A2076 10.532 -0.011 -1.323 1.00 30.50 O ATOM 1022 CB ARG A2076 12.173 -2.723 -2.291 1.00 73.25 C ATOM 1023 CG ARG A2076 13.610 -2.360 -1.910 1.00 2.23 C ATOM 1024 CD ARG A2076 13.668 -0.990 -1.232 1.00 52.21 C ATOM 1025 NE ARG A2076 14.982 -0.358 -1.481 1.00 3.40 N ATOM 1026 CZ ARG A2076 16.073 -0.548 -0.710 1.00 11.15 C ATOM 1027 NH1 ARG A2076 16.016 -1.356 0.372 1.00 71.43 N ATOM 1028 NH2 ARG A2076 17.197 0.068 -1.026 1.00 12.12 N ATOM 0 H ARG A2076 10.397 -4.241 -1.412 1.00 10.31 H new ATOM 0 HA ARG A2076 11.762 -1.989 -0.318 1.00 2.04 H new ATOM 0 HB2 ARG A2076 12.100 -3.796 -2.468 1.00 73.25 H new ATOM 0 HB3 ARG A2076 11.904 -2.227 -3.223 1.00 73.25 H new ATOM 0 HG2 ARG A2076 14.015 -3.119 -1.240 1.00 2.23 H new ATOM 0 HG3 ARG A2076 14.236 -2.355 -2.802 1.00 2.23 H new ATOM 0 HD2 ARG A2076 12.870 -0.352 -1.613 1.00 52.21 H new ATOM 0 HD3 ARG A2076 13.505 -1.098 -0.160 1.00 52.21 H new ATOM 0 HE ARG A2076 15.069 0.261 -2.287 1.00 3.40 H new ATOM 0 HH11 ARG A2076 15.144 -1.828 0.611 1.00 71.43 H new ATOM 0 HH12 ARG A2076 16.845 -1.494 0.950 1.00 71.43 H new ATOM 0 HH21 ARG A2076 17.232 0.677 -1.843 1.00 12.12 H new ATOM 0 HH22 ARG A2076 18.030 -0.065 -0.453 1.00 12.12 H new ATOM 1040 N ASP A2077 9.354 -1.521 -2.528 1.00 42.24 N ATOM 1041 CA ASP A2077 8.447 -0.533 -3.088 1.00 35.13 C ATOM 1042 C ASP A2077 7.788 0.248 -1.949 1.00 15.20 C ATOM 1043 O ASP A2077 7.847 1.477 -1.919 1.00 41.31 O ATOM 1044 CB ASP A2077 7.341 -1.202 -3.906 1.00 32.45 C ATOM 1045 CG ASP A2077 7.767 -1.701 -5.287 1.00 1.50 C ATOM 1046 OD1 ASP A2077 8.107 -0.905 -6.175 1.00 62.03 O ATOM 1047 OD2 ASP A2077 7.745 -2.981 -5.435 1.00 35.51 O ATOM 0 H ASP A2077 9.180 -2.479 -2.831 1.00 42.24 H new ATOM 0 HA ASP A2077 9.024 0.128 -3.736 1.00 35.13 H new ATOM 0 HB2 ASP A2077 6.949 -2.045 -3.337 1.00 32.45 H new ATOM 0 HB3 ASP A2077 6.522 -0.493 -4.030 1.00 32.45 H new ATOM 1053 N LEU A2078 7.172 -0.496 -1.041 1.00 50.52 N ATOM 1054 CA LEU A2078 6.503 0.113 0.095 1.00 13.20 C ATOM 1055 C LEU A2078 7.491 1.011 0.843 1.00 14.50 C ATOM 1056 O LEU A2078 7.107 2.049 1.380 1.00 21.25 O ATOM 1057 CB LEU A2078 5.860 -0.961 0.976 1.00 3.32 C ATOM 1058 CG LEU A2078 4.709 -1.746 0.344 1.00 33.31 C ATOM 1059 CD1 LEU A2078 4.023 -2.640 1.378 1.00 24.34 C ATOM 1060 CD2 LEU A2078 3.720 -0.807 -0.349 1.00 34.44 C ATOM 0 H LEU A2078 7.123 -1.514 -1.070 1.00 50.52 H new ATOM 0 HA LEU A2078 5.685 0.750 -0.241 1.00 13.20 H new ATOM 0 HB2 LEU A2078 6.634 -1.668 1.276 1.00 3.32 H new ATOM 0 HB3 LEU A2078 5.493 -0.485 1.885 1.00 3.32 H new ATOM 0 HG LEU A2078 5.122 -2.400 -0.423 1.00 33.31 H new ATOM 0 HD11 LEU A2078 3.209 -3.187 0.903 1.00 24.34 H new ATOM 0 HD12 LEU A2078 4.746 -3.347 1.785 1.00 24.34 H new ATOM 0 HD13 LEU A2078 3.625 -2.024 2.184 1.00 24.34 H new ATOM 0 HD21 LEU A2078 2.912 -1.391 -0.790 1.00 34.44 H new ATOM 0 HD22 LEU A2078 3.308 -0.110 0.381 1.00 34.44 H new ATOM 0 HD23 LEU A2078 4.235 -0.250 -1.132 1.00 34.44 H new ATOM 1072 N MET A2079 8.743 0.579 0.854 1.00 0.43 N ATOM 1073 CA MET A2079 9.788 1.332 1.527 1.00 23.21 C ATOM 1074 C MET A2079 10.003 2.691 0.859 1.00 33.11 C ATOM 1075 O MET A2079 10.080 3.715 1.536 1.00 12.05 O ATOM 1076 CB MET A2079 11.094 0.534 1.492 1.00 43.53 C ATOM 1077 CG MET A2079 11.984 0.887 2.687 1.00 22.44 C ATOM 1078 SD MET A2079 11.229 0.309 4.198 1.00 73.24 S ATOM 1079 CE MET A2079 11.517 -1.445 4.039 1.00 22.01 C ATOM 0 H MET A2079 9.058 -0.283 0.408 1.00 0.43 H new ATOM 0 HA MET A2079 9.481 1.501 2.559 1.00 23.21 H new ATOM 0 HB2 MET A2079 10.873 -0.533 1.501 1.00 43.53 H new ATOM 0 HB3 MET A2079 11.626 0.741 0.564 1.00 43.53 H new ATOM 0 HG2 MET A2079 12.968 0.434 2.565 1.00 22.44 H new ATOM 0 HG3 MET A2079 12.133 1.966 2.734 1.00 22.44 H new ATOM 0 HE1 MET A2079 11.476 -1.911 5.023 1.00 22.01 H new ATOM 0 HE2 MET A2079 10.752 -1.883 3.398 1.00 22.01 H new ATOM 0 HE3 MET A2079 12.500 -1.614 3.598 1.00 22.01 H new ATOM 1089 N GLU A2080 10.092 2.658 -0.464 1.00 72.41 N ATOM 1090 CA GLU A2080 10.294 3.875 -1.229 1.00 42.15 C ATOM 1091 C GLU A2080 9.139 4.850 -0.995 1.00 42.13 C ATOM 1092 O GLU A2080 9.358 5.997 -0.608 1.00 44.13 O ATOM 1093 CB GLU A2080 10.456 3.564 -2.719 1.00 73.33 C ATOM 1094 CG GLU A2080 10.748 4.836 -3.517 1.00 10.52 C ATOM 1095 CD GLU A2080 11.668 4.542 -4.702 1.00 52.12 C ATOM 1096 OE1 GLU A2080 12.870 4.305 -4.509 1.00 14.21 O ATOM 1097 OE2 GLU A2080 11.097 4.566 -5.857 1.00 74.34 O ATOM 0 H GLU A2080 10.028 1.808 -1.024 1.00 72.41 H new ATOM 0 HA GLU A2080 11.215 4.347 -0.886 1.00 42.15 H new ATOM 0 HB2 GLU A2080 11.267 2.849 -2.859 1.00 73.33 H new ATOM 0 HB3 GLU A2080 9.548 3.094 -3.097 1.00 73.33 H new ATOM 0 HG2 GLU A2080 9.813 5.267 -3.876 1.00 10.52 H new ATOM 0 HG3 GLU A2080 11.212 5.578 -2.868 1.00 10.52 H new ATOM 1105 N ALA A2081 7.934 4.357 -1.240 1.00 14.13 N ATOM 1106 CA ALA A2081 6.743 5.170 -1.061 1.00 12.23 C ATOM 1107 C ALA A2081 6.751 5.775 0.345 1.00 62.02 C ATOM 1108 O ALA A2081 6.395 6.940 0.526 1.00 63.30 O ATOM 1109 CB ALA A2081 5.499 4.319 -1.321 1.00 31.43 C ATOM 0 H ALA A2081 7.757 3.405 -1.561 1.00 14.13 H new ATOM 0 HA ALA A2081 6.730 5.993 -1.775 1.00 12.23 H new ATOM 0 HB1 ALA A2081 4.606 4.929 -1.187 1.00 31.43 H new ATOM 0 HB2 ALA A2081 5.527 3.936 -2.341 1.00 31.43 H new ATOM 0 HB3 ALA A2081 5.477 3.484 -0.621 1.00 31.43 H new ATOM 1115 N GLN A2082 7.162 4.958 1.304 1.00 73.31 N ATOM 1116 CA GLN A2082 7.221 5.399 2.688 1.00 31.43 C ATOM 1117 C GLN A2082 8.159 6.601 2.822 1.00 72.12 C ATOM 1118 O GLN A2082 7.845 7.562 3.523 1.00 65.11 O ATOM 1119 CB GLN A2082 7.655 4.258 3.608 1.00 12.53 C ATOM 1120 CG GLN A2082 7.066 4.428 5.010 1.00 74.13 C ATOM 1121 CD GLN A2082 5.803 3.581 5.179 1.00 1.30 C ATOM 1122 OE1 GLN A2082 5.549 2.644 4.440 1.00 20.24 O ATOM 1123 NE2 GLN A2082 5.030 3.959 6.193 1.00 74.52 N ATOM 0 H GLN A2082 7.457 3.994 1.150 1.00 73.31 H new ATOM 0 HA GLN A2082 6.222 5.708 2.995 1.00 31.43 H new ATOM 0 HB2 GLN A2082 7.333 3.305 3.188 1.00 12.53 H new ATOM 0 HB3 GLN A2082 8.743 4.229 3.668 1.00 12.53 H new ATOM 0 HG2 GLN A2082 7.805 4.138 5.757 1.00 74.13 H new ATOM 0 HG3 GLN A2082 6.831 5.478 5.185 1.00 74.13 H new ATOM 0 HE21 GLN A2082 5.302 4.753 6.773 1.00 74.52 H new ATOM 0 HE22 GLN A2082 4.166 3.455 6.391 1.00 74.52 H new ATOM 1132 N GLU A2083 9.291 6.506 2.141 1.00 4.32 N ATOM 1133 CA GLU A2083 10.277 7.572 2.176 1.00 41.00 C ATOM 1134 C GLU A2083 9.675 8.868 1.631 1.00 42.21 C ATOM 1135 O GLU A2083 9.967 9.953 2.135 1.00 74.43 O ATOM 1136 CB GLU A2083 11.535 7.182 1.399 1.00 64.23 C ATOM 1137 CG GLU A2083 11.825 8.187 0.282 1.00 21.51 C ATOM 1138 CD GLU A2083 13.149 7.868 -0.414 1.00 32.12 C ATOM 1139 OE1 GLU A2083 13.152 7.273 -1.501 1.00 33.43 O ATOM 1140 OE2 GLU A2083 14.203 8.264 0.216 1.00 63.24 O ATOM 0 H GLU A2083 9.547 5.707 1.561 1.00 4.32 H new ATOM 0 HA GLU A2083 10.569 7.737 3.213 1.00 41.00 H new ATOM 0 HB2 GLU A2083 12.386 7.133 2.079 1.00 64.23 H new ATOM 0 HB3 GLU A2083 11.410 6.186 0.973 1.00 64.23 H new ATOM 0 HG2 GLU A2083 11.014 8.170 -0.446 1.00 21.51 H new ATOM 0 HG3 GLU A2083 11.861 9.195 0.695 1.00 21.51 H new ATOM 1148 N TRP A2084 8.848 8.715 0.607 1.00 3.11 N ATOM 1149 CA TRP A2084 8.204 9.860 -0.013 1.00 31.03 C ATOM 1150 C TRP A2084 7.137 10.382 0.952 1.00 62.12 C ATOM 1151 O TRP A2084 6.848 11.577 0.978 1.00 73.21 O ATOM 1152 CB TRP A2084 7.640 9.495 -1.388 1.00 13.20 C ATOM 1153 CG TRP A2084 8.707 9.130 -2.420 1.00 65.23 C ATOM 1154 CD1 TRP A2084 9.097 7.908 -2.808 1.00 14.33 C ATOM 1155 CD2 TRP A2084 9.512 10.051 -3.189 1.00 13.24 C ATOM 1156 NE1 TRP A2084 10.090 7.972 -3.765 1.00 1.13 N ATOM 1157 CE2 TRP A2084 10.350 9.317 -4.004 1.00 33.33 C ATOM 1158 CE3 TRP A2084 9.533 11.456 -3.194 1.00 71.31 C ATOM 1159 CZ2 TRP A2084 11.269 9.901 -4.883 1.00 64.01 C ATOM 1160 CZ3 TRP A2084 10.455 12.026 -4.078 1.00 65.33 C ATOM 1161 CH2 TRP A2084 11.306 11.300 -4.906 1.00 2.33 C ATOM 0 H TRP A2084 8.609 7.815 0.191 1.00 3.11 H new ATOM 0 HA TRP A2084 8.926 10.655 -0.197 1.00 31.03 H new ATOM 0 HB2 TRP A2084 6.954 8.655 -1.277 1.00 13.20 H new ATOM 0 HB3 TRP A2084 7.057 10.335 -1.765 1.00 13.20 H new ATOM 0 HD1 TRP A2084 8.686 6.988 -2.420 1.00 14.33 H new ATOM 0 HE1 TRP A2084 10.548 7.179 -4.214 1.00 1.13 H new ATOM 0 HE3 TRP A2084 8.887 12.050 -2.564 1.00 71.31 H new ATOM 0 HZ2 TRP A2084 11.915 9.304 -5.510 1.00 64.01 H new ATOM 0 HZ3 TRP A2084 10.510 13.104 -4.121 1.00 65.33 H new ATOM 0 HH2 TRP A2084 11.992 11.814 -5.563 1.00 2.33 H new ATOM 1172 N CYS A2085 6.580 9.458 1.722 1.00 45.31 N ATOM 1173 CA CYS A2085 5.549 9.810 2.686 1.00 25.41 C ATOM 1174 C CYS A2085 6.183 10.687 3.767 1.00 75.24 C ATOM 1175 O CYS A2085 5.759 11.822 3.978 1.00 75.44 O ATOM 1176 CB CYS A2085 4.883 8.567 3.277 1.00 14.54 C ATOM 1177 SG CYS A2085 3.961 7.670 1.977 1.00 70.10 S ATOM 0 H CYS A2085 6.822 8.467 1.698 1.00 45.31 H new ATOM 0 HA CYS A2085 4.755 10.366 2.189 1.00 25.41 H new ATOM 0 HB2 CYS A2085 5.638 7.914 3.715 1.00 14.54 H new ATOM 0 HB3 CYS A2085 4.206 8.855 4.081 1.00 14.54 H new ATOM 0 HG CYS A2085 4.797 7.028 1.217 1.00 70.10 H new ATOM 1183 N ARG A2086 7.190 10.130 4.422 1.00 41.30 N ATOM 1184 CA ARG A2086 7.887 10.849 5.476 1.00 63.42 C ATOM 1185 C ARG A2086 8.395 12.193 4.955 1.00 42.14 C ATOM 1186 O ARG A2086 8.263 13.215 5.628 1.00 72.24 O ATOM 1187 CB ARG A2086 9.068 10.035 6.009 1.00 30.23 C ATOM 1188 CG ARG A2086 8.589 8.902 6.916 1.00 74.30 C ATOM 1189 CD ARG A2086 8.577 7.567 6.166 1.00 34.41 C ATOM 1190 NE ARG A2086 8.876 6.458 7.100 1.00 74.13 N ATOM 1191 CZ ARG A2086 10.034 6.333 7.781 1.00 21.45 C ATOM 1192 NH1 ARG A2086 11.015 7.248 7.636 1.00 51.33 N ATOM 1193 NH2 ARG A2086 10.192 5.301 8.590 1.00 53.35 N ATOM 0 H ARG A2086 7.541 9.189 4.244 1.00 41.30 H new ATOM 0 HA ARG A2086 7.180 11.016 6.288 1.00 63.42 H new ATOM 0 HB2 ARG A2086 9.635 9.622 5.175 1.00 30.23 H new ATOM 0 HB3 ARG A2086 9.743 10.687 6.562 1.00 30.23 H new ATOM 0 HG2 ARG A2086 9.240 8.828 7.787 1.00 74.30 H new ATOM 0 HG3 ARG A2086 7.588 9.125 7.285 1.00 74.30 H new ATOM 0 HD2 ARG A2086 7.603 7.410 5.702 1.00 34.41 H new ATOM 0 HD3 ARG A2086 9.314 7.585 5.363 1.00 34.41 H new ATOM 0 HE ARG A2086 8.161 5.743 7.237 1.00 74.13 H new ATOM 0 HH11 ARG A2086 10.884 8.041 7.008 1.00 51.33 H new ATOM 0 HH12 ARG A2086 11.888 7.147 8.154 1.00 51.33 H new ATOM 0 HH21 ARG A2086 9.445 4.614 8.692 1.00 53.35 H new ATOM 0 HH22 ARG A2086 11.061 5.191 9.113 1.00 53.35 H new ATOM 1205 N LYS A2087 8.968 12.151 3.760 1.00 11.32 N ATOM 1206 CA LYS A2087 9.498 13.353 3.140 1.00 13.35 C ATOM 1207 C LYS A2087 8.370 14.373 2.970 1.00 13.33 C ATOM 1208 O LYS A2087 8.583 15.574 3.135 1.00 24.23 O ATOM 1209 CB LYS A2087 10.220 13.011 1.836 1.00 35.42 C ATOM 1210 CG LYS A2087 10.532 14.275 1.032 1.00 33.24 C ATOM 1211 CD LYS A2087 9.677 14.346 -0.234 1.00 31.31 C ATOM 1212 CE LYS A2087 10.538 14.171 -1.486 1.00 30.41 C ATOM 1213 NZ LYS A2087 11.100 15.473 -1.913 1.00 24.53 N ATOM 0 H LYS A2087 9.076 11.302 3.205 1.00 11.32 H new ATOM 0 HA LYS A2087 10.250 13.812 3.781 1.00 13.35 H new ATOM 0 HB2 LYS A2087 11.145 12.479 2.058 1.00 35.42 H new ATOM 0 HB3 LYS A2087 9.602 12.340 1.239 1.00 35.42 H new ATOM 0 HG2 LYS A2087 10.350 15.156 1.648 1.00 33.24 H new ATOM 0 HG3 LYS A2087 11.588 14.287 0.763 1.00 33.24 H new ATOM 0 HD2 LYS A2087 8.911 13.571 -0.204 1.00 31.31 H new ATOM 0 HD3 LYS A2087 9.160 15.305 -0.275 1.00 31.31 H new ATOM 0 HE2 LYS A2087 11.346 13.468 -1.284 1.00 30.41 H new ATOM 0 HE3 LYS A2087 9.939 13.745 -2.291 1.00 30.41 H new ATOM 0 HZ1 LYS A2087 12.015 15.319 -2.382 1.00 24.53 H new ATOM 0 HZ2 LYS A2087 10.444 15.933 -2.576 1.00 24.53 H new ATOM 0 HZ3 LYS A2087 11.235 16.082 -1.081 1.00 24.53 H new ATOM 1226 N TYR A2088 7.194 13.858 2.640 1.00 31.12 N ATOM 1227 CA TYR A2088 6.032 14.708 2.445 1.00 1.24 C ATOM 1228 C TYR A2088 5.468 15.182 3.786 1.00 24.43 C ATOM 1229 O TYR A2088 5.163 16.361 3.953 1.00 1.54 O ATOM 1230 CB TYR A2088 4.988 13.839 1.742 1.00 31.34 C ATOM 1231 CG TYR A2088 3.548 14.317 1.938 1.00 31.33 C ATOM 1232 CD1 TYR A2088 2.871 14.011 3.101 1.00 31.32 C ATOM 1233 CD2 TYR A2088 2.925 15.054 0.952 1.00 15.41 C ATOM 1234 CE1 TYR A2088 1.515 14.461 3.287 1.00 45.44 C ATOM 1235 CE2 TYR A2088 1.569 15.503 1.137 1.00 41.05 C ATOM 1236 CZ TYR A2088 0.932 15.185 2.295 1.00 14.32 C ATOM 1237 OH TYR A2088 -0.350 15.610 2.470 1.00 43.54 O ATOM 0 H TYR A2088 7.021 12.862 2.503 1.00 31.12 H new ATOM 0 HA TYR A2088 6.296 15.593 1.867 1.00 1.24 H new ATOM 0 HB2 TYR A2088 5.210 13.814 0.675 1.00 31.34 H new ATOM 0 HB3 TYR A2088 5.074 12.816 2.110 1.00 31.34 H new ATOM 0 HD1 TYR A2088 3.358 13.433 3.873 1.00 31.32 H new ATOM 0 HD2 TYR A2088 3.454 15.294 0.042 1.00 15.41 H new ATOM 0 HE1 TYR A2088 0.975 14.229 4.193 1.00 45.44 H new ATOM 0 HE2 TYR A2088 1.069 16.080 0.373 1.00 41.05 H new ATOM 0 HH TYR A2088 -0.558 16.304 1.810 1.00 43.54 H new ATOM 1247 N MET A2089 5.343 14.236 4.706 1.00 23.30 N ATOM 1248 CA MET A2089 4.820 14.540 6.025 1.00 14.03 C ATOM 1249 C MET A2089 5.642 15.639 6.700 1.00 15.50 C ATOM 1250 O MET A2089 5.109 16.430 7.478 1.00 0.34 O ATOM 1251 CB MET A2089 4.848 13.278 6.891 1.00 50.10 C ATOM 1252 CG MET A2089 3.800 12.268 6.421 1.00 75.05 C ATOM 1253 SD MET A2089 3.296 11.231 7.784 1.00 43.33 S ATOM 1254 CE MET A2089 1.529 11.231 7.537 1.00 14.32 C ATOM 0 H MET A2089 5.596 13.258 4.562 1.00 23.30 H new ATOM 0 HA MET A2089 3.795 14.893 5.915 1.00 14.03 H new ATOM 0 HB2 MET A2089 5.839 12.826 6.849 1.00 50.10 H new ATOM 0 HB3 MET A2089 4.662 13.543 7.932 1.00 50.10 H new ATOM 0 HG2 MET A2089 2.936 12.792 6.013 1.00 75.05 H new ATOM 0 HG3 MET A2089 4.209 11.654 5.618 1.00 75.05 H new ATOM 0 HE1 MET A2089 1.037 11.614 8.431 1.00 14.32 H new ATOM 0 HE2 MET A2089 1.281 11.866 6.686 1.00 14.32 H new ATOM 0 HE3 MET A2089 1.189 10.214 7.343 1.00 14.32 H new ATOM 1264 N LYS A2090 6.928 15.654 6.381 1.00 13.51 N ATOM 1265 CA LYS A2090 7.829 16.645 6.947 1.00 43.00 C ATOM 1266 C LYS A2090 7.927 17.840 5.998 1.00 30.02 C ATOM 1267 O LYS A2090 7.671 18.975 6.396 1.00 72.03 O ATOM 1268 CB LYS A2090 9.182 16.009 7.278 1.00 71.30 C ATOM 1269 CG LYS A2090 9.677 16.460 8.654 1.00 53.14 C ATOM 1270 CD LYS A2090 10.456 17.773 8.553 1.00 5.01 C ATOM 1271 CE LYS A2090 10.470 18.507 9.896 1.00 4.54 C ATOM 1272 NZ LYS A2090 11.785 19.144 10.125 1.00 22.01 N ATOM 0 H LYS A2090 7.368 14.996 5.738 1.00 13.51 H new ATOM 0 HA LYS A2090 7.438 17.021 7.893 1.00 43.00 H new ATOM 0 HB2 LYS A2090 9.092 14.923 7.258 1.00 71.30 H new ATOM 0 HB3 LYS A2090 9.913 16.283 6.517 1.00 71.30 H new ATOM 0 HG2 LYS A2090 8.828 16.587 9.326 1.00 53.14 H new ATOM 0 HG3 LYS A2090 10.313 15.688 9.087 1.00 53.14 H new ATOM 0 HD2 LYS A2090 11.479 17.570 8.235 1.00 5.01 H new ATOM 0 HD3 LYS A2090 10.006 18.410 7.791 1.00 5.01 H new ATOM 0 HE2 LYS A2090 9.685 19.263 9.912 1.00 4.54 H new ATOM 0 HE3 LYS A2090 10.254 17.806 10.702 1.00 4.54 H new ATOM 0 HZ1 LYS A2090 11.777 19.637 11.040 1.00 22.01 H new ATOM 0 HZ2 LYS A2090 12.527 18.416 10.131 1.00 22.01 H new ATOM 0 HZ3 LYS A2090 11.977 19.828 9.365 1.00 22.01 H new ATOM 1285 N SER A2091 8.300 17.545 4.761 1.00 75.22 N ATOM 1286 CA SER A2091 8.433 18.583 3.752 1.00 24.13 C ATOM 1287 C SER A2091 7.058 19.150 3.399 1.00 72.43 C ATOM 1288 O SER A2091 6.788 20.325 3.641 1.00 51.10 O ATOM 1289 CB SER A2091 9.124 18.043 2.497 1.00 33.15 C ATOM 1290 OG SER A2091 9.607 19.092 1.662 1.00 21.41 O ATOM 0 H SER A2091 8.514 16.603 4.435 1.00 75.22 H new ATOM 0 HA SER A2091 9.052 19.381 4.161 1.00 24.13 H new ATOM 0 HB2 SER A2091 9.954 17.400 2.788 1.00 33.15 H new ATOM 0 HB3 SER A2091 8.424 17.425 1.935 1.00 33.15 H new ATOM 0 HG SER A2091 10.043 18.708 0.873 1.00 21.41 H new ATOM 1296 N GLY A2092 6.226 18.289 2.831 1.00 11.02 N ATOM 1297 CA GLY A2092 4.884 18.691 2.441 1.00 53.34 C ATOM 1298 C GLY A2092 4.835 19.074 0.961 1.00 13.34 C ATOM 1299 O GLY A2092 5.129 20.214 0.601 1.00 44.31 O ATOM 0 H GLY A2092 6.455 17.315 2.631 1.00 11.02 H new ATOM 0 HA2 GLY A2092 4.186 17.876 2.633 1.00 53.34 H new ATOM 0 HA3 GLY A2092 4.562 19.536 3.050 1.00 53.34 H new ATOM 1303 N ASN A2093 4.462 18.102 0.144 1.00 24.11 N ATOM 1304 CA ASN A2093 4.370 18.322 -1.289 1.00 64.40 C ATOM 1305 C ASN A2093 3.568 17.186 -1.926 1.00 1.40 C ATOM 1306 O ASN A2093 4.009 16.037 -1.932 1.00 3.40 O ATOM 1307 CB ASN A2093 5.757 18.342 -1.934 1.00 24.04 C ATOM 1308 CG ASN A2093 6.004 19.660 -2.669 1.00 72.04 C ATOM 1309 OD1 ASN A2093 5.428 19.940 -3.707 1.00 74.01 O ATOM 1310 ND2 ASN A2093 6.888 20.454 -2.072 1.00 45.31 N ATOM 0 H ASN A2093 4.219 17.159 0.447 1.00 24.11 H new ATOM 0 HA ASN A2093 3.883 19.284 -1.451 1.00 64.40 H new ATOM 0 HB2 ASN A2093 6.520 18.201 -1.168 1.00 24.04 H new ATOM 0 HB3 ASN A2093 5.849 17.510 -2.632 1.00 24.04 H new ATOM 0 HD21 ASN A2093 7.120 21.359 -2.482 1.00 45.31 H new ATOM 0 HD22 ASN A2093 7.334 20.158 -1.204 1.00 45.31 H new ATOM 1317 N VAL A2094 2.403 17.544 -2.447 1.00 43.25 N ATOM 1318 CA VAL A2094 1.537 16.570 -3.086 1.00 11.24 C ATOM 1319 C VAL A2094 2.347 15.759 -4.099 1.00 10.43 C ATOM 1320 O VAL A2094 2.129 14.558 -4.255 1.00 61.33 O ATOM 1321 CB VAL A2094 0.330 17.271 -3.710 1.00 1.22 C ATOM 1322 CG1 VAL A2094 0.704 17.927 -5.042 1.00 14.40 C ATOM 1323 CG2 VAL A2094 -0.838 16.300 -3.887 1.00 72.54 C ATOM 0 H VAL A2094 2.039 18.497 -2.439 1.00 43.25 H new ATOM 0 HA VAL A2094 1.143 15.869 -2.349 1.00 11.24 H new ATOM 0 HB VAL A2094 0.011 18.058 -3.027 1.00 1.22 H new ATOM 0 HG11 VAL A2094 -0.173 18.418 -5.464 1.00 14.40 H new ATOM 0 HG12 VAL A2094 1.489 18.665 -4.876 1.00 14.40 H new ATOM 0 HG13 VAL A2094 1.062 17.165 -5.735 1.00 14.40 H new ATOM 0 HG21 VAL A2094 -1.683 16.825 -4.333 1.00 72.54 H new ATOM 0 HG22 VAL A2094 -0.535 15.481 -4.539 1.00 72.54 H new ATOM 0 HG23 VAL A2094 -1.130 15.901 -2.916 1.00 72.54 H new ATOM 1333 N LYS A2095 3.264 16.447 -4.762 1.00 4.44 N ATOM 1334 CA LYS A2095 4.108 15.805 -5.756 1.00 15.20 C ATOM 1335 C LYS A2095 4.708 14.529 -5.163 1.00 23.15 C ATOM 1336 O LYS A2095 4.646 13.467 -5.778 1.00 22.04 O ATOM 1337 CB LYS A2095 5.156 16.789 -6.285 1.00 33.24 C ATOM 1338 CG LYS A2095 5.849 16.233 -7.529 1.00 63.34 C ATOM 1339 CD LYS A2095 7.175 16.954 -7.787 1.00 12.25 C ATOM 1340 CE LYS A2095 8.323 15.954 -7.931 1.00 1.12 C ATOM 1341 NZ LYS A2095 9.366 16.490 -8.836 1.00 54.20 N ATOM 0 H LYS A2095 3.442 17.443 -4.631 1.00 4.44 H new ATOM 0 HA LYS A2095 3.517 15.507 -6.622 1.00 15.20 H new ATOM 0 HB2 LYS A2095 4.680 17.740 -6.524 1.00 33.24 H new ATOM 0 HB3 LYS A2095 5.896 16.989 -5.510 1.00 33.24 H new ATOM 0 HG2 LYS A2095 6.030 15.166 -7.402 1.00 63.34 H new ATOM 0 HG3 LYS A2095 5.196 16.345 -8.394 1.00 63.34 H new ATOM 0 HD2 LYS A2095 7.096 17.555 -8.693 1.00 12.25 H new ATOM 0 HD3 LYS A2095 7.386 17.640 -6.966 1.00 12.25 H new ATOM 0 HE2 LYS A2095 8.755 15.744 -6.953 1.00 1.12 H new ATOM 0 HE3 LYS A2095 7.944 15.010 -8.322 1.00 1.12 H new ATOM 0 HZ1 LYS A2095 10.138 15.799 -8.923 1.00 54.20 H new ATOM 0 HZ2 LYS A2095 8.954 16.668 -9.774 1.00 54.20 H new ATOM 0 HZ3 LYS A2095 9.739 17.379 -8.447 1.00 54.20 H new ATOM 1354 N ASP A2096 5.276 14.677 -3.975 1.00 73.22 N ATOM 1355 CA ASP A2096 5.885 13.548 -3.292 1.00 13.10 C ATOM 1356 C ASP A2096 4.790 12.592 -2.816 1.00 74.43 C ATOM 1357 O ASP A2096 4.998 11.381 -2.763 1.00 63.41 O ATOM 1358 CB ASP A2096 6.676 14.009 -2.065 1.00 73.14 C ATOM 1359 CG ASP A2096 7.655 15.156 -2.321 1.00 2.10 C ATOM 1360 OD1 ASP A2096 8.467 15.106 -3.256 1.00 45.13 O ATOM 1361 OD2 ASP A2096 7.562 16.145 -1.499 1.00 55.42 O ATOM 0 H ASP A2096 5.327 15.561 -3.468 1.00 73.22 H new ATOM 0 HA ASP A2096 6.559 13.054 -3.992 1.00 13.10 H new ATOM 0 HB2 ASP A2096 5.972 14.318 -1.292 1.00 73.14 H new ATOM 0 HB3 ASP A2096 7.231 13.159 -1.669 1.00 73.14 H new ATOM 1367 N LEU A2097 3.647 13.172 -2.482 1.00 71.51 N ATOM 1368 CA LEU A2097 2.518 12.387 -2.013 1.00 15.15 C ATOM 1369 C LEU A2097 2.031 11.477 -3.142 1.00 1.14 C ATOM 1370 O LEU A2097 1.845 10.277 -2.941 1.00 71.54 O ATOM 1371 CB LEU A2097 1.429 13.300 -1.445 1.00 33.23 C ATOM 1372 CG LEU A2097 0.453 12.649 -0.461 1.00 40.35 C ATOM 1373 CD1 LEU A2097 -0.658 13.624 -0.065 1.00 74.34 C ATOM 1374 CD2 LEU A2097 -0.106 11.342 -1.027 1.00 50.44 C ATOM 0 H LEU A2097 3.478 14.177 -2.527 1.00 71.51 H new ATOM 0 HA LEU A2097 2.820 11.740 -1.189 1.00 15.15 H new ATOM 0 HB2 LEU A2097 1.911 14.140 -0.945 1.00 33.23 H new ATOM 0 HB3 LEU A2097 0.856 13.710 -2.277 1.00 33.23 H new ATOM 0 HG LEU A2097 1.000 12.398 0.448 1.00 40.35 H new ATOM 0 HD11 LEU A2097 -1.337 13.137 0.634 1.00 74.34 H new ATOM 0 HD12 LEU A2097 -0.219 14.503 0.408 1.00 74.34 H new ATOM 0 HD13 LEU A2097 -1.210 13.928 -0.955 1.00 74.34 H new ATOM 0 HD21 LEU A2097 -0.796 10.900 -0.308 1.00 50.44 H new ATOM 0 HD22 LEU A2097 -0.633 11.545 -1.959 1.00 50.44 H new ATOM 0 HD23 LEU A2097 0.713 10.648 -1.217 1.00 50.44 H new ATOM 1386 N THR A2098 1.837 12.081 -4.305 1.00 52.14 N ATOM 1387 CA THR A2098 1.375 11.341 -5.466 1.00 34.21 C ATOM 1388 C THR A2098 2.374 10.238 -5.826 1.00 62.54 C ATOM 1389 O THR A2098 1.989 9.084 -6.004 1.00 43.31 O ATOM 1390 CB THR A2098 1.136 12.340 -6.600 1.00 2.42 C ATOM 1391 OG1 THR A2098 -0.071 13.002 -6.233 1.00 23.15 O ATOM 1392 CG2 THR A2098 0.796 11.653 -7.923 1.00 60.12 C ATOM 0 H THR A2098 1.992 13.076 -4.468 1.00 52.14 H new ATOM 0 HA THR A2098 0.434 10.830 -5.262 1.00 34.21 H new ATOM 0 HB THR A2098 2.023 12.959 -6.730 1.00 2.42 H new ATOM 0 HG1 THR A2098 -0.298 13.669 -6.914 1.00 23.15 H new ATOM 0 HG21 THR A2098 0.636 12.407 -8.694 1.00 60.12 H new ATOM 0 HG22 THR A2098 1.619 11.002 -8.217 1.00 60.12 H new ATOM 0 HG23 THR A2098 -0.110 11.059 -7.802 1.00 60.12 H new ATOM 1400 N GLN A2099 3.632 10.633 -5.924 1.00 21.00 N ATOM 1401 CA GLN A2099 4.689 9.693 -6.261 1.00 75.20 C ATOM 1402 C GLN A2099 4.616 8.466 -5.351 1.00 10.21 C ATOM 1403 O GLN A2099 4.605 7.334 -5.830 1.00 33.51 O ATOM 1404 CB GLN A2099 6.063 10.359 -6.173 1.00 64.21 C ATOM 1405 CG GLN A2099 6.611 10.669 -7.569 1.00 70.11 C ATOM 1406 CD GLN A2099 5.512 11.222 -8.479 1.00 2.41 C ATOM 1407 OE1 GLN A2099 5.305 10.500 -9.576 1.00 70.23 O flip ATOM 1408 NE2 GLN A2099 4.893 12.236 -8.202 1.00 62.33 N flip ATOM 0 H GLN A2099 3.946 11.592 -5.776 1.00 21.00 H new ATOM 0 HA GLN A2099 4.545 9.367 -7.291 1.00 75.20 H new ATOM 0 HB2 GLN A2099 5.989 11.280 -5.594 1.00 64.21 H new ATOM 0 HB3 GLN A2099 6.755 9.705 -5.643 1.00 64.21 H new ATOM 0 HG2 GLN A2099 7.423 11.392 -7.493 1.00 70.11 H new ATOM 0 HG3 GLN A2099 7.031 9.764 -8.008 1.00 70.11 H new ATOM 0 HE21 GLN A2099 5.103 12.743 -7.342 1.00 62.33 H new ATOM 0 HE22 GLN A2099 4.165 12.577 -8.830 1.00 62.33 H new ATOM 1417 N ALA A2100 4.568 8.733 -4.053 1.00 74.22 N ATOM 1418 CA ALA A2100 4.496 7.663 -3.072 1.00 14.01 C ATOM 1419 C ALA A2100 3.256 6.810 -3.344 1.00 73.21 C ATOM 1420 O ALA A2100 3.318 5.583 -3.291 1.00 31.45 O ATOM 1421 CB ALA A2100 4.497 8.262 -1.664 1.00 73.51 C ATOM 0 H ALA A2100 4.578 9.674 -3.659 1.00 74.22 H new ATOM 0 HA ALA A2100 5.366 7.011 -3.149 1.00 14.01 H new ATOM 0 HB1 ALA A2100 4.443 7.460 -0.927 1.00 73.51 H new ATOM 0 HB2 ALA A2100 5.413 8.833 -1.512 1.00 73.51 H new ATOM 0 HB3 ALA A2100 3.636 8.920 -1.548 1.00 73.51 H new ATOM 1427 N TRP A2101 2.158 7.493 -3.628 1.00 33.41 N ATOM 1428 CA TRP A2101 0.904 6.813 -3.910 1.00 35.52 C ATOM 1429 C TRP A2101 1.096 5.968 -5.169 1.00 31.12 C ATOM 1430 O TRP A2101 0.624 4.835 -5.239 1.00 25.13 O ATOM 1431 CB TRP A2101 -0.248 7.812 -4.030 1.00 12.51 C ATOM 1432 CG TRP A2101 -1.424 7.523 -3.096 1.00 64.32 C ATOM 1433 CD1 TRP A2101 -1.773 8.177 -1.979 1.00 32.11 C ATOM 1434 CD2 TRP A2101 -2.399 6.470 -3.244 1.00 72.20 C ATOM 1435 NE1 TRP A2101 -2.898 7.625 -1.400 1.00 44.31 N ATOM 1436 CE2 TRP A2101 -3.290 6.553 -2.194 1.00 63.30 C ATOM 1437 CE3 TRP A2101 -2.526 5.479 -4.235 1.00 2.25 C ATOM 1438 CZ2 TRP A2101 -4.370 5.676 -2.032 1.00 14.12 C ATOM 1439 CZ3 TRP A2101 -3.610 4.610 -4.058 1.00 22.24 C ATOM 1440 CH2 TRP A2101 -4.514 4.681 -3.006 1.00 32.33 C ATOM 0 H TRP A2101 2.109 8.511 -3.669 1.00 33.41 H new ATOM 0 HA TRP A2101 0.631 6.153 -3.087 1.00 35.52 H new ATOM 0 HB2 TRP A2101 0.130 8.813 -3.822 1.00 12.51 H new ATOM 0 HB3 TRP A2101 -0.607 7.814 -5.059 1.00 12.51 H new ATOM 0 HD1 TRP A2101 -1.241 9.029 -1.582 1.00 32.11 H new ATOM 0 HE1 TRP A2101 -3.357 7.945 -0.547 1.00 44.31 H new ATOM 0 HE3 TRP A2101 -1.842 5.395 -5.066 1.00 2.25 H new ATOM 0 HZ2 TRP A2101 -5.054 5.763 -1.201 1.00 14.12 H new ATOM 0 HZ3 TRP A2101 -3.753 3.830 -4.791 1.00 22.24 H new ATOM 0 HH2 TRP A2101 -5.325 3.971 -2.940 1.00 32.33 H new ATOM 1451 N ASP A2102 1.792 6.551 -6.134 1.00 71.44 N ATOM 1452 CA ASP A2102 2.051 5.867 -7.389 1.00 30.22 C ATOM 1453 C ASP A2102 2.696 4.509 -7.100 1.00 0.34 C ATOM 1454 O ASP A2102 2.282 3.491 -7.652 1.00 71.12 O ATOM 1455 CB ASP A2102 3.014 6.670 -8.266 1.00 42.35 C ATOM 1456 CG ASP A2102 2.479 7.029 -9.653 1.00 60.32 C ATOM 1457 OD1 ASP A2102 1.310 7.417 -9.805 1.00 4.32 O ATOM 1458 OD2 ASP A2102 3.327 6.898 -10.616 1.00 75.21 O ATOM 0 H ASP A2102 2.185 7.490 -6.072 1.00 71.44 H new ATOM 0 HA ASP A2102 1.101 5.749 -7.911 1.00 30.22 H new ATOM 0 HB2 ASP A2102 3.275 7.591 -7.744 1.00 42.35 H new ATOM 0 HB3 ASP A2102 3.935 6.099 -8.385 1.00 42.35 H new ATOM 1464 N LEU A2103 3.698 4.539 -6.234 1.00 0.24 N ATOM 1465 CA LEU A2103 4.404 3.322 -5.864 1.00 73.13 C ATOM 1466 C LEU A2103 3.414 2.331 -5.250 1.00 31.34 C ATOM 1467 O LEU A2103 3.301 1.196 -5.709 1.00 41.42 O ATOM 1468 CB LEU A2103 5.592 3.648 -4.955 1.00 42.15 C ATOM 1469 CG LEU A2103 6.855 4.150 -5.659 1.00 32.34 C ATOM 1470 CD1 LEU A2103 6.756 5.646 -5.961 1.00 54.23 C ATOM 1471 CD2 LEU A2103 8.105 3.812 -4.846 1.00 71.32 C ATOM 0 H LEU A2103 4.038 5.385 -5.778 1.00 0.24 H new ATOM 0 HA LEU A2103 4.829 2.844 -6.747 1.00 73.13 H new ATOM 0 HB2 LEU A2103 5.277 4.403 -4.234 1.00 42.15 H new ATOM 0 HB3 LEU A2103 5.847 2.753 -4.388 1.00 42.15 H new ATOM 0 HG LEU A2103 6.942 3.634 -6.615 1.00 32.34 H new ATOM 0 HD11 LEU A2103 7.666 5.977 -6.461 1.00 54.23 H new ATOM 0 HD12 LEU A2103 5.899 5.831 -6.608 1.00 54.23 H new ATOM 0 HD13 LEU A2103 6.633 6.198 -5.029 1.00 54.23 H new ATOM 0 HD21 LEU A2103 8.989 4.179 -5.368 1.00 71.32 H new ATOM 0 HD22 LEU A2103 8.040 4.284 -3.866 1.00 71.32 H new ATOM 0 HD23 LEU A2103 8.179 2.731 -4.724 1.00 71.32 H new ATOM 1483 N TYR A2104 2.720 2.796 -4.221 1.00 0.44 N ATOM 1484 CA TYR A2104 1.745 1.964 -3.539 1.00 24.43 C ATOM 1485 C TYR A2104 0.708 1.416 -4.524 1.00 1.34 C ATOM 1486 O TYR A2104 0.536 0.204 -4.637 1.00 33.44 O ATOM 1487 CB TYR A2104 1.040 2.876 -2.533 1.00 3.31 C ATOM 1488 CG TYR A2104 1.874 3.190 -1.289 1.00 0.01 C ATOM 1489 CD1 TYR A2104 2.637 2.200 -0.703 1.00 52.22 C ATOM 1490 CD2 TYR A2104 1.862 4.461 -0.752 1.00 1.32 C ATOM 1491 CE1 TYR A2104 3.421 2.495 0.469 1.00 11.34 C ATOM 1492 CE2 TYR A2104 2.647 4.757 0.419 1.00 25.33 C ATOM 1493 CZ TYR A2104 3.388 3.759 0.972 1.00 63.34 C ATOM 1494 OH TYR A2104 4.129 4.037 2.078 1.00 51.00 O ATOM 0 H TYR A2104 2.814 3.739 -3.844 1.00 0.44 H new ATOM 0 HA TYR A2104 2.233 1.114 -3.062 1.00 24.43 H new ATOM 0 HB2 TYR A2104 0.777 3.811 -3.028 1.00 3.31 H new ATOM 0 HB3 TYR A2104 0.107 2.406 -2.223 1.00 3.31 H new ATOM 0 HD1 TYR A2104 2.646 1.205 -1.123 1.00 52.22 H new ATOM 0 HD2 TYR A2104 1.264 5.235 -1.210 1.00 1.32 H new ATOM 0 HE1 TYR A2104 4.022 1.730 0.938 1.00 11.34 H new ATOM 0 HE2 TYR A2104 2.647 5.748 0.848 1.00 25.33 H new ATOM 0 HH TYR A2104 4.185 5.008 2.199 1.00 51.00 H new ATOM 1504 N TYR A2105 0.046 2.335 -5.208 1.00 45.23 N ATOM 1505 CA TYR A2105 -0.968 1.960 -6.179 1.00 52.22 C ATOM 1506 C TYR A2105 -0.448 0.871 -7.120 1.00 73.22 C ATOM 1507 O TYR A2105 -1.173 -0.069 -7.445 1.00 4.11 O ATOM 1508 CB TYR A2105 -1.262 3.222 -6.993 1.00 13.41 C ATOM 1509 CG TYR A2105 -2.699 3.307 -7.513 1.00 2.51 C ATOM 1510 CD1 TYR A2105 -3.389 2.153 -7.822 1.00 34.45 C ATOM 1511 CD2 TYR A2105 -3.303 4.538 -7.673 1.00 41.15 C ATOM 1512 CE1 TYR A2105 -4.742 2.233 -8.312 1.00 51.02 C ATOM 1513 CE2 TYR A2105 -4.655 4.617 -8.163 1.00 41.25 C ATOM 1514 CZ TYR A2105 -5.306 3.461 -8.458 1.00 63.14 C ATOM 1515 OH TYR A2105 -6.583 3.537 -8.921 1.00 12.02 O ATOM 0 H TYR A2105 0.191 3.340 -5.110 1.00 45.23 H new ATOM 0 HA TYR A2105 -1.854 1.571 -5.677 1.00 52.22 H new ATOM 0 HB2 TYR A2105 -1.058 4.096 -6.375 1.00 13.41 H new ATOM 0 HB3 TYR A2105 -0.577 3.263 -7.840 1.00 13.41 H new ATOM 0 HD1 TYR A2105 -2.916 1.190 -7.697 1.00 34.45 H new ATOM 0 HD2 TYR A2105 -2.762 5.441 -7.431 1.00 41.15 H new ATOM 0 HE1 TYR A2105 -5.295 1.338 -8.557 1.00 51.02 H new ATOM 0 HE2 TYR A2105 -5.140 5.573 -8.293 1.00 41.25 H new ATOM 0 HH TYR A2105 -6.856 4.477 -8.974 1.00 12.02 H new ATOM 1525 N HIS A2106 0.798 1.035 -7.532 1.00 3.33 N ATOM 1526 CA HIS A2106 1.423 0.077 -8.430 1.00 12.40 C ATOM 1527 C HIS A2106 1.382 -1.318 -7.800 1.00 71.14 C ATOM 1528 O HIS A2106 1.036 -2.292 -8.466 1.00 61.42 O ATOM 1529 CB HIS A2106 2.841 0.520 -8.796 1.00 32.24 C ATOM 1530 CG HIS A2106 3.382 -0.127 -10.048 1.00 65.31 C ATOM 1531 ND1 HIS A2106 3.190 -1.467 -10.343 1.00 54.44 N ATOM 1532 CD2 HIS A2106 4.109 0.394 -11.078 1.00 22.42 C ATOM 1533 CE1 HIS A2106 3.780 -1.728 -11.500 1.00 2.34 C ATOM 1534 NE2 HIS A2106 4.349 -0.575 -11.952 1.00 71.32 N ATOM 0 H HIS A2106 1.394 1.817 -7.261 1.00 3.33 H new ATOM 0 HA HIS A2106 0.866 0.033 -9.366 1.00 12.40 H new ATOM 0 HB2 HIS A2106 2.851 1.602 -8.925 1.00 32.24 H new ATOM 0 HB3 HIS A2106 3.508 0.292 -7.964 1.00 32.24 H new ATOM 0 HD1 HIS A2106 2.681 -2.138 -9.768 1.00 54.44 H new ATOM 0 HD2 HIS A2106 4.434 1.420 -11.167 1.00 22.42 H new ATOM 0 HE1 HIS A2106 3.806 -2.686 -11.998 1.00 2.34 H new ATOM 1543 N VAL A2107 1.741 -1.368 -6.526 1.00 31.13 N ATOM 1544 CA VAL A2107 1.749 -2.627 -5.801 1.00 1.44 C ATOM 1545 C VAL A2107 0.309 -3.061 -5.523 1.00 53.42 C ATOM 1546 O VAL A2107 -0.016 -4.243 -5.615 1.00 4.15 O ATOM 1547 CB VAL A2107 2.590 -2.492 -4.528 1.00 64.50 C ATOM 1548 CG1 VAL A2107 3.579 -1.330 -4.645 1.00 42.10 C ATOM 1549 CG2 VAL A2107 1.696 -2.331 -3.297 1.00 33.14 C ATOM 0 H VAL A2107 2.028 -0.558 -5.977 1.00 31.13 H new ATOM 0 HA VAL A2107 2.213 -3.410 -6.401 1.00 1.44 H new ATOM 0 HB VAL A2107 3.166 -3.410 -4.406 1.00 64.50 H new ATOM 0 HG11 VAL A2107 4.164 -1.256 -3.728 1.00 42.10 H new ATOM 0 HG12 VAL A2107 4.247 -1.504 -5.488 1.00 42.10 H new ATOM 0 HG13 VAL A2107 3.032 -0.401 -4.802 1.00 42.10 H new ATOM 0 HG21 VAL A2107 2.317 -2.237 -2.406 1.00 33.14 H new ATOM 0 HG22 VAL A2107 1.082 -1.437 -3.407 1.00 33.14 H new ATOM 0 HG23 VAL A2107 1.051 -3.204 -3.199 1.00 33.14 H new ATOM 1559 N PHE A2108 -0.516 -2.079 -5.188 1.00 62.13 N ATOM 1560 CA PHE A2108 -1.915 -2.345 -4.897 1.00 45.32 C ATOM 1561 C PHE A2108 -2.664 -2.786 -6.156 1.00 1.34 C ATOM 1562 O PHE A2108 -3.619 -3.555 -6.076 1.00 42.12 O ATOM 1563 CB PHE A2108 -2.522 -1.034 -4.389 1.00 3.52 C ATOM 1564 CG PHE A2108 -2.481 -0.877 -2.867 1.00 64.22 C ATOM 1565 CD1 PHE A2108 -3.464 -1.422 -2.101 1.00 51.10 C ATOM 1566 CD2 PHE A2108 -1.461 -0.194 -2.282 1.00 35.03 C ATOM 1567 CE1 PHE A2108 -3.426 -1.276 -0.691 1.00 1.23 C ATOM 1568 CE2 PHE A2108 -1.424 -0.049 -0.870 1.00 5.34 C ATOM 1569 CZ PHE A2108 -2.407 -0.594 -0.104 1.00 42.32 C ATOM 0 H PHE A2108 -0.243 -1.099 -5.112 1.00 62.13 H new ATOM 0 HA PHE A2108 -1.997 -3.145 -4.161 1.00 45.32 H new ATOM 0 HB2 PHE A2108 -1.990 -0.199 -4.844 1.00 3.52 H new ATOM 0 HB3 PHE A2108 -3.558 -0.972 -4.723 1.00 3.52 H new ATOM 0 HD1 PHE A2108 -4.273 -1.966 -2.566 1.00 51.10 H new ATOM 0 HD2 PHE A2108 -0.680 0.238 -2.891 1.00 35.03 H new ATOM 0 HE1 PHE A2108 -4.207 -1.707 -0.083 1.00 1.23 H new ATOM 0 HE2 PHE A2108 -0.615 0.494 -0.404 1.00 5.34 H new ATOM 0 HZ PHE A2108 -2.378 -0.485 0.970 1.00 42.32 H new ATOM 1579 N ARG A2109 -2.201 -2.277 -7.289 1.00 5.05 N ATOM 1580 CA ARG A2109 -2.816 -2.610 -8.563 1.00 63.33 C ATOM 1581 C ARG A2109 -2.363 -3.998 -9.025 1.00 72.34 C ATOM 1582 O ARG A2109 -3.144 -4.748 -9.607 1.00 23.21 O ATOM 1583 CB ARG A2109 -2.452 -1.581 -9.635 1.00 51.05 C ATOM 1584 CG ARG A2109 -3.620 -1.357 -10.599 1.00 0.34 C ATOM 1585 CD ARG A2109 -3.670 0.098 -11.072 1.00 33.24 C ATOM 1586 NE ARG A2109 -4.048 0.152 -12.501 1.00 65.13 N ATOM 1587 CZ ARG A2109 -3.190 -0.067 -13.520 1.00 0.13 C ATOM 1588 NH1 ARG A2109 -1.893 -0.357 -13.273 1.00 71.44 N ATOM 1589 NH2 ARG A2109 -3.636 0.008 -14.760 1.00 12.51 N ATOM 0 H ARG A2109 -1.409 -1.638 -7.351 1.00 5.05 H new ATOM 0 HA ARG A2109 -3.897 -2.605 -8.421 1.00 63.33 H new ATOM 0 HB2 ARG A2109 -2.181 -0.638 -9.161 1.00 51.05 H new ATOM 0 HB3 ARG A2109 -1.578 -1.922 -10.190 1.00 51.05 H new ATOM 0 HG2 ARG A2109 -3.519 -2.019 -11.459 1.00 0.34 H new ATOM 0 HG3 ARG A2109 -4.557 -1.615 -10.106 1.00 0.34 H new ATOM 0 HD2 ARG A2109 -4.390 0.659 -10.475 1.00 33.24 H new ATOM 0 HD3 ARG A2109 -2.698 0.570 -10.926 1.00 33.24 H new ATOM 0 HE ARG A2109 -5.018 0.368 -12.731 1.00 65.13 H new ATOM 0 HH11 ARG A2109 -1.557 -0.412 -12.312 1.00 71.44 H new ATOM 0 HH12 ARG A2109 -1.251 -0.521 -14.048 1.00 71.44 H new ATOM 0 HH21 ARG A2109 -4.616 0.229 -14.937 1.00 12.51 H new ATOM 0 HH22 ARG A2109 -3.001 -0.155 -15.541 1.00 12.51 H new ATOM 1601 N ARG A2110 -1.101 -4.296 -8.749 1.00 11.33 N ATOM 1602 CA ARG A2110 -0.535 -5.579 -9.129 1.00 13.04 C ATOM 1603 C ARG A2110 -1.240 -6.712 -8.379 1.00 44.35 C ATOM 1604 O ARG A2110 -1.694 -7.677 -8.991 1.00 65.00 O ATOM 1605 CB ARG A2110 0.964 -5.631 -8.826 1.00 34.22 C ATOM 1606 CG ARG A2110 1.785 -5.555 -10.115 1.00 12.43 C ATOM 1607 CD ARG A2110 1.647 -6.841 -10.929 1.00 24.44 C ATOM 1608 NE ARG A2110 2.574 -6.812 -12.084 1.00 4.12 N ATOM 1609 CZ ARG A2110 2.465 -7.618 -13.162 1.00 3.05 C ATOM 1610 NH1 ARG A2110 1.467 -8.523 -13.243 1.00 50.13 N ATOM 1611 NH2 ARG A2110 3.351 -7.506 -14.136 1.00 72.03 N ATOM 0 H ARG A2110 -0.455 -3.671 -8.267 1.00 11.33 H new ATOM 0 HA ARG A2110 -0.681 -5.702 -10.202 1.00 13.04 H new ATOM 0 HB2 ARG A2110 1.235 -4.805 -8.168 1.00 34.22 H new ATOM 0 HB3 ARG A2110 1.200 -6.553 -8.294 1.00 34.22 H new ATOM 0 HG2 ARG A2110 1.454 -4.705 -10.712 1.00 12.43 H new ATOM 0 HG3 ARG A2110 2.834 -5.385 -9.873 1.00 12.43 H new ATOM 0 HD2 ARG A2110 1.864 -7.704 -10.300 1.00 24.44 H new ATOM 0 HD3 ARG A2110 0.621 -6.951 -11.279 1.00 24.44 H new ATOM 0 HE ARG A2110 3.342 -6.142 -12.064 1.00 4.12 H new ATOM 0 HH11 ARG A2110 0.788 -8.602 -12.486 1.00 50.13 H new ATOM 0 HH12 ARG A2110 1.392 -9.128 -14.061 1.00 50.13 H new ATOM 0 HH21 ARG A2110 4.102 -6.819 -14.066 1.00 72.03 H new ATOM 0 HH22 ARG A2110 3.284 -8.107 -14.958 1.00 72.03 H new ATOM 1623 N ILE A2111 -1.309 -6.557 -7.064 1.00 41.04 N ATOM 1624 CA ILE A2111 -1.950 -7.554 -6.226 1.00 4.14 C ATOM 1625 C ILE A2111 -3.274 -7.977 -6.864 1.00 21.20 C ATOM 1626 O ILE A2111 -3.623 -9.155 -6.857 1.00 23.24 O ATOM 1627 CB ILE A2111 -2.095 -7.037 -4.793 1.00 12.24 C ATOM 1628 CG1 ILE A2111 -2.730 -5.644 -4.774 1.00 63.32 C ATOM 1629 CG2 ILE A2111 -0.752 -7.064 -4.062 1.00 54.32 C ATOM 1630 CD1 ILE A2111 -2.943 -5.159 -3.341 1.00 73.24 C ATOM 0 H ILE A2111 -0.931 -5.755 -6.559 1.00 41.04 H new ATOM 0 HA ILE A2111 -1.330 -8.448 -6.157 1.00 4.14 H new ATOM 0 HB ILE A2111 -2.768 -7.705 -4.255 1.00 12.24 H new ATOM 0 HG12 ILE A2111 -2.090 -4.941 -5.308 1.00 63.32 H new ATOM 0 HG13 ILE A2111 -3.685 -5.668 -5.299 1.00 63.32 H new ATOM 0 HG21 ILE A2111 -0.883 -6.692 -3.046 1.00 54.32 H new ATOM 0 HG22 ILE A2111 -0.377 -8.087 -4.028 1.00 54.32 H new ATOM 0 HG23 ILE A2111 -0.037 -6.433 -4.590 1.00 54.32 H new ATOM 0 HD11 ILE A2111 -3.395 -4.167 -3.356 1.00 73.24 H new ATOM 0 HD12 ILE A2111 -3.603 -5.851 -2.817 1.00 73.24 H new ATOM 0 HD13 ILE A2111 -1.983 -5.112 -2.826 1.00 73.24 H new ATOM 1642 N SER A2112 -3.976 -6.990 -7.402 1.00 62.31 N ATOM 1643 CA SER A2112 -5.254 -7.245 -8.044 1.00 34.51 C ATOM 1644 C SER A2112 -5.032 -7.792 -9.456 1.00 23.33 C ATOM 1645 O SER A2112 -5.603 -8.818 -9.825 1.00 44.52 O ATOM 1646 CB SER A2112 -6.108 -5.976 -8.094 1.00 60.24 C ATOM 1647 OG SER A2112 -7.474 -6.263 -8.376 1.00 33.40 O ATOM 0 H SER A2112 -3.684 -6.013 -7.406 1.00 62.31 H new ATOM 0 HA SER A2112 -5.790 -7.989 -7.454 1.00 34.51 H new ATOM 0 HB2 SER A2112 -6.037 -5.453 -7.140 1.00 60.24 H new ATOM 0 HB3 SER A2112 -5.714 -5.304 -8.856 1.00 60.24 H new ATOM 0 HG SER A2112 -7.986 -5.428 -8.398 1.00 33.40 H new ATOM 1653 N LYS A2113 -4.203 -7.081 -10.207 1.00 3.33 N ATOM 1654 CA LYS A2113 -3.898 -7.484 -11.568 1.00 64.12 C ATOM 1655 C LYS A2113 -3.729 -9.003 -11.622 1.00 45.42 C ATOM 1656 O LYS A2113 -2.807 -9.551 -11.019 1.00 61.12 O ATOM 1657 CB LYS A2113 -2.688 -6.712 -12.098 1.00 70.13 C ATOM 1658 CG LYS A2113 -3.029 -5.977 -13.396 1.00 14.05 C ATOM 1659 CD LYS A2113 -3.198 -4.475 -13.148 1.00 50.11 C ATOM 1660 CE LYS A2113 -4.398 -3.924 -13.919 1.00 63.12 C ATOM 1661 NZ LYS A2113 -3.949 -3.213 -15.136 1.00 62.42 N ATOM 0 H LYS A2113 -3.734 -6.229 -9.898 1.00 3.33 H new ATOM 0 HA LYS A2113 -4.724 -7.232 -12.232 1.00 64.12 H new ATOM 0 HB2 LYS A2113 -2.353 -5.996 -11.348 1.00 70.13 H new ATOM 0 HB3 LYS A2113 -1.861 -7.401 -12.273 1.00 70.13 H new ATOM 0 HG2 LYS A2113 -2.240 -6.142 -14.129 1.00 14.05 H new ATOM 0 HG3 LYS A2113 -3.947 -6.385 -13.819 1.00 14.05 H new ATOM 0 HD2 LYS A2113 -3.331 -4.292 -12.082 1.00 50.11 H new ATOM 0 HD3 LYS A2113 -2.293 -3.949 -13.452 1.00 50.11 H new ATOM 0 HE2 LYS A2113 -5.067 -4.739 -14.193 1.00 63.12 H new ATOM 0 HE3 LYS A2113 -4.966 -3.245 -13.283 1.00 63.12 H new ATOM 0 HZ1 LYS A2113 -4.759 -2.731 -15.575 1.00 62.42 H new ATOM 0 HZ2 LYS A2113 -3.225 -2.511 -14.881 1.00 62.42 H new ATOM 0 HZ3 LYS A2113 -3.547 -3.896 -15.809 1.00 62.42 H new ATOM 1674 N GLN A2114 -4.633 -9.642 -12.352 1.00 14.34 N ATOM 1675 CA GLN A2114 -4.594 -11.088 -12.492 1.00 64.14 C ATOM 1676 C GLN A2114 -3.302 -11.521 -13.186 1.00 5.21 C ATOM 1677 O GLN A2114 -2.510 -12.272 -12.622 1.00 12.43 O ATOM 1678 CB GLN A2114 -5.822 -11.598 -13.250 1.00 43.43 C ATOM 1679 CG GLN A2114 -5.704 -11.298 -14.746 1.00 20.31 C ATOM 1680 CD GLN A2114 -7.083 -11.053 -15.365 1.00 43.21 C ATOM 1681 OE1 GLN A2114 -8.104 -11.072 -14.699 1.00 3.52 O ATOM 1682 NE2 GLN A2114 -7.053 -10.822 -16.675 1.00 34.51 N ATOM 0 H GLN A2114 -5.396 -9.185 -12.852 1.00 14.34 H new ATOM 0 HA GLN A2114 -4.612 -11.530 -11.496 1.00 64.14 H new ATOM 0 HB2 GLN A2114 -5.928 -12.672 -13.098 1.00 43.43 H new ATOM 0 HB3 GLN A2114 -6.721 -11.129 -12.851 1.00 43.43 H new ATOM 0 HG2 GLN A2114 -5.073 -10.422 -14.897 1.00 20.31 H new ATOM 0 HG3 GLN A2114 -5.217 -12.132 -15.251 1.00 20.31 H new ATOM 0 HE21 GLN A2114 -6.162 -10.820 -17.172 1.00 34.51 H new ATOM 0 HE22 GLN A2114 -7.921 -10.647 -17.182 1.00 34.51 H new TER 1691 GLN A2114