USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2064 THR OG1 : rot 180:sc= -0.322 USER MOD Set 1.2: A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A2026 MET CE :methyl 142:sc= -10.4! (180deg=-9.46!) USER MOD Set 2.2: A2057 MET CE :methyl 172:sc= -3.79! (180deg=-0.0757) USER MOD Set 2.3: A2058 MET CE :methyl 152:sc= -19.9! (180deg=-15.2!) USER MOD Set 3.1: A2043 ASN : amide:sc= -9.42! C(o=-9.4!,f=-11!) USER MOD Set 3.2: A2045 LYS NZ :NH3+ -168:sc= 0.00187 (180deg=0) USER MOD Single : A2014 MET CE :methyl -105:sc= -0.0468 (180deg=-1.02) USER MOD Single : A2024 HIS : no HD1:sc= -2.03 K(o=-2,f=-2.7!) USER MOD Single : A2028 HIS : no HE2:sc= -0.124 X(o=-0.12,f=-0.36) USER MOD Single : A2035 SER OG : rot -52:sc= 0.455 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2047 MET CE :methyl -106:sc= -4.14! (180deg=-7.1!) USER MOD Single : A2055 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.95) USER MOD Single : A2063 GLN : amide:sc= -0.203 K(o=-0.2,f=-3.1!) USER MOD Single : A2068 THR OG1 : rot 65:sc= 0.575 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0048 X(o=-0.0048,f=0) USER MOD Single : A2072 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2074 TYR OH : rot 160:sc= -3.01! USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2085 CYS SG : rot 86:sc= -1.43! USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -108:sc= -1.52 (180deg=-6.8!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 55:sc= 1.13 USER MOD Single : A2093 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.1!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 78:sc= 0.18 USER MOD Single : A2099 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.6) USER MOD Single : A2104 TYR OH : rot 180:sc= -0.126 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.751 K(o=-0.75,f=-2.9) USER MOD Single : A2112 SER OG : rot 180:sc= 0 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -9.862 -14.028 -14.955 1.00 40.44 N ATOM 2 CA MET A2014 -11.063 -13.350 -14.499 1.00 70.31 C ATOM 3 C MET A2014 -10.728 -12.290 -13.447 1.00 5.12 C ATOM 4 O MET A2014 -9.908 -12.528 -12.561 1.00 63.04 O ATOM 5 CB MET A2014 -12.031 -14.374 -13.901 1.00 23.02 C ATOM 6 CG MET A2014 -13.069 -14.816 -14.934 1.00 23.12 C ATOM 7 SD MET A2014 -12.601 -16.389 -15.635 1.00 4.01 S ATOM 8 CE MET A2014 -11.709 -15.833 -17.079 1.00 71.32 C ATOM 0 HA MET A2014 -11.525 -12.855 -15.353 1.00 70.31 H new ATOM 0 HB2 MET A2014 -11.475 -15.241 -13.545 1.00 23.02 H new ATOM 0 HB3 MET A2014 -12.535 -13.942 -13.036 1.00 23.02 H new ATOM 0 HG2 MET A2014 -14.050 -14.895 -14.465 1.00 23.12 H new ATOM 0 HG3 MET A2014 -13.152 -14.067 -15.722 1.00 23.12 H new ATOM 0 HE1 MET A2014 -12.321 -15.988 -17.967 1.00 71.32 H new ATOM 0 HE2 MET A2014 -11.478 -14.772 -16.978 1.00 71.32 H new ATOM 0 HE3 MET A2014 -10.782 -16.398 -17.174 1.00 71.32 H new ATOM 18 N GLU A2015 -11.380 -11.145 -13.580 1.00 2.14 N ATOM 19 CA GLU A2015 -11.160 -10.047 -12.653 1.00 64.11 C ATOM 20 C GLU A2015 -12.121 -10.156 -11.466 1.00 42.21 C ATOM 21 O GLU A2015 -11.998 -9.413 -10.494 1.00 13.43 O ATOM 22 CB GLU A2015 -11.308 -8.697 -13.356 1.00 0.11 C ATOM 23 CG GLU A2015 -12.750 -8.476 -13.821 1.00 12.34 C ATOM 24 CD GLU A2015 -12.788 -7.719 -15.150 1.00 34.14 C ATOM 25 OE1 GLU A2015 -12.390 -6.546 -15.207 1.00 3.15 O ATOM 26 OE2 GLU A2015 -13.249 -8.394 -16.148 1.00 74.13 O ATOM 0 H GLU A2015 -12.061 -10.953 -14.315 1.00 2.14 H new ATOM 0 HA GLU A2015 -10.139 -10.113 -12.277 1.00 64.11 H new ATOM 0 HB2 GLU A2015 -11.014 -7.896 -12.678 1.00 0.11 H new ATOM 0 HB3 GLU A2015 -10.635 -8.653 -14.212 1.00 0.11 H new ATOM 0 HG2 GLU A2015 -13.251 -9.437 -13.932 1.00 12.34 H new ATOM 0 HG3 GLU A2015 -13.298 -7.916 -13.064 1.00 12.34 H new ATOM 34 N LEU A2016 -13.055 -11.086 -11.587 1.00 32.23 N ATOM 35 CA LEU A2016 -14.037 -11.301 -10.536 1.00 15.44 C ATOM 36 C LEU A2016 -13.530 -12.390 -9.586 1.00 42.43 C ATOM 37 O LEU A2016 -12.490 -12.999 -9.834 1.00 64.43 O ATOM 38 CB LEU A2016 -15.409 -11.602 -11.139 1.00 44.03 C ATOM 39 CG LEU A2016 -16.377 -10.421 -11.227 1.00 65.45 C ATOM 40 CD1 LEU A2016 -16.719 -9.886 -9.833 1.00 4.35 C ATOM 41 CD2 LEU A2016 -15.824 -9.327 -12.141 1.00 75.33 C ATOM 0 H LEU A2016 -13.154 -11.700 -12.396 1.00 32.23 H new ATOM 0 HA LEU A2016 -14.167 -10.395 -9.944 1.00 15.44 H new ATOM 0 HB2 LEU A2016 -15.263 -12.002 -12.142 1.00 44.03 H new ATOM 0 HB3 LEU A2016 -15.879 -12.388 -10.548 1.00 44.03 H new ATOM 0 HG LEU A2016 -17.307 -10.774 -11.673 1.00 65.45 H new ATOM 0 HD11 LEU A2016 -17.409 -9.047 -9.924 1.00 4.35 H new ATOM 0 HD12 LEU A2016 -17.185 -10.676 -9.244 1.00 4.35 H new ATOM 0 HD13 LEU A2016 -15.807 -9.554 -9.337 1.00 4.35 H new ATOM 0 HD21 LEU A2016 -16.531 -8.499 -12.186 1.00 75.33 H new ATOM 0 HD22 LEU A2016 -14.872 -8.970 -11.747 1.00 75.33 H new ATOM 0 HD23 LEU A2016 -15.674 -9.731 -13.142 1.00 75.33 H new ATOM 53 N ILE A2017 -14.288 -12.599 -8.521 1.00 54.11 N ATOM 54 CA ILE A2017 -13.929 -13.602 -7.532 1.00 52.41 C ATOM 55 C ILE A2017 -12.601 -13.215 -6.879 1.00 21.44 C ATOM 56 O ILE A2017 -11.686 -12.743 -7.554 1.00 73.05 O ATOM 57 CB ILE A2017 -13.921 -14.996 -8.163 1.00 31.41 C ATOM 58 CG1 ILE A2017 -15.298 -15.348 -8.730 1.00 52.32 C ATOM 59 CG2 ILE A2017 -13.428 -16.045 -7.165 1.00 1.33 C ATOM 60 CD1 ILE A2017 -15.316 -15.200 -10.253 1.00 43.34 C ATOM 0 H ILE A2017 -15.150 -12.091 -8.320 1.00 54.11 H new ATOM 0 HA ILE A2017 -14.675 -13.640 -6.739 1.00 52.41 H new ATOM 0 HB ILE A2017 -13.220 -14.990 -8.998 1.00 31.41 H new ATOM 0 HG12 ILE A2017 -15.557 -16.371 -8.457 1.00 52.32 H new ATOM 0 HG13 ILE A2017 -16.054 -14.699 -8.289 1.00 52.32 H new ATOM 0 HG21 ILE A2017 -13.432 -17.027 -7.638 1.00 1.33 H new ATOM 0 HG22 ILE A2017 -12.414 -15.798 -6.849 1.00 1.33 H new ATOM 0 HG23 ILE A2017 -14.086 -16.058 -6.296 1.00 1.33 H new ATOM 0 HD11 ILE A2017 -16.306 -15.456 -10.632 1.00 43.34 H new ATOM 0 HD12 ILE A2017 -15.080 -14.170 -10.521 1.00 43.34 H new ATOM 0 HD13 ILE A2017 -14.575 -15.868 -10.692 1.00 43.34 H new ATOM 72 N ARG A2018 -12.535 -13.429 -5.573 1.00 61.40 N ATOM 73 CA ARG A2018 -11.335 -13.109 -4.820 1.00 63.42 C ATOM 74 C ARG A2018 -11.419 -13.697 -3.410 1.00 73.31 C ATOM 75 O ARG A2018 -12.484 -13.688 -2.793 1.00 24.44 O ATOM 76 CB ARG A2018 -11.132 -11.596 -4.725 1.00 41.32 C ATOM 77 CG ARG A2018 -10.136 -11.109 -5.780 1.00 52.24 C ATOM 78 CD ARG A2018 -8.819 -10.676 -5.132 1.00 30.33 C ATOM 79 NE ARG A2018 -7.950 -11.854 -4.915 1.00 44.30 N ATOM 80 CZ ARG A2018 -7.081 -12.333 -5.829 1.00 71.15 C ATOM 81 NH1 ARG A2018 -6.956 -11.736 -7.035 1.00 75.02 N ATOM 82 NH2 ARG A2018 -6.355 -13.393 -5.530 1.00 33.12 N ATOM 0 H ARG A2018 -13.295 -13.821 -5.017 1.00 61.40 H new ATOM 0 HA ARG A2018 -10.487 -13.545 -5.347 1.00 63.42 H new ATOM 0 HB2 ARG A2018 -12.087 -11.088 -4.860 1.00 41.32 H new ATOM 0 HB3 ARG A2018 -10.770 -11.336 -3.730 1.00 41.32 H new ATOM 0 HG2 ARG A2018 -9.947 -11.904 -6.501 1.00 52.24 H new ATOM 0 HG3 ARG A2018 -10.566 -10.273 -6.333 1.00 52.24 H new ATOM 0 HD2 ARG A2018 -8.311 -9.952 -5.769 1.00 30.33 H new ATOM 0 HD3 ARG A2018 -9.017 -10.180 -4.182 1.00 30.33 H new ATOM 0 HE ARG A2018 -8.012 -12.334 -4.017 1.00 44.30 H new ATOM 0 HH11 ARG A2018 -7.521 -10.917 -7.260 1.00 75.02 H new ATOM 0 HH12 ARG A2018 -6.297 -12.104 -7.721 1.00 75.02 H new ATOM 0 HH21 ARG A2018 -6.455 -13.839 -4.618 1.00 33.12 H new ATOM 0 HH22 ARG A2018 -5.694 -13.767 -6.211 1.00 33.12 H new ATOM 94 N VAL A2019 -10.284 -14.191 -2.940 1.00 63.53 N ATOM 95 CA VAL A2019 -10.216 -14.779 -1.613 1.00 1.25 C ATOM 96 C VAL A2019 -10.557 -13.715 -0.568 1.00 44.55 C ATOM 97 O VAL A2019 -10.143 -12.563 -0.693 1.00 1.02 O ATOM 98 CB VAL A2019 -8.842 -15.416 -1.392 1.00 64.42 C ATOM 99 CG1 VAL A2019 -8.656 -15.820 0.072 1.00 23.14 C ATOM 100 CG2 VAL A2019 -8.637 -16.613 -2.323 1.00 73.01 C ATOM 0 H VAL A2019 -9.403 -14.196 -3.454 1.00 63.53 H new ATOM 0 HA VAL A2019 -10.950 -15.578 -1.513 1.00 1.25 H new ATOM 0 HB VAL A2019 -8.083 -14.672 -1.633 1.00 64.42 H new ATOM 0 HG11 VAL A2019 -7.672 -16.270 0.203 1.00 23.14 H new ATOM 0 HG12 VAL A2019 -8.739 -14.937 0.706 1.00 23.14 H new ATOM 0 HG13 VAL A2019 -9.425 -16.541 0.351 1.00 23.14 H new ATOM 0 HG21 VAL A2019 -7.653 -17.047 -2.146 1.00 73.01 H new ATOM 0 HG22 VAL A2019 -9.405 -17.362 -2.128 1.00 73.01 H new ATOM 0 HG23 VAL A2019 -8.707 -16.284 -3.360 1.00 73.01 H new ATOM 110 N PRO A2020 -11.328 -14.148 0.463 1.00 74.11 N ATOM 111 CA PRO A2020 -11.729 -13.245 1.529 1.00 71.24 C ATOM 112 C PRO A2020 -10.562 -12.961 2.475 1.00 13.35 C ATOM 113 O PRO A2020 -9.799 -12.020 2.262 1.00 3.42 O ATOM 114 CB PRO A2020 -12.894 -13.940 2.216 1.00 52.14 C ATOM 115 CG PRO A2020 -12.805 -15.401 1.812 1.00 44.03 C ATOM 116 CD PRO A2020 -11.837 -15.505 0.644 1.00 13.24 C ATOM 0 HA PRO A2020 -12.029 -12.265 1.159 1.00 71.24 H new ATOM 0 HB2 PRO A2020 -12.831 -13.830 3.299 1.00 52.14 H new ATOM 0 HB3 PRO A2020 -13.845 -13.506 1.906 1.00 52.14 H new ATOM 0 HG2 PRO A2020 -12.460 -16.008 2.649 1.00 44.03 H new ATOM 0 HG3 PRO A2020 -13.787 -15.779 1.528 1.00 44.03 H new ATOM 0 HD2 PRO A2020 -11.030 -16.205 0.860 1.00 13.24 H new ATOM 0 HD3 PRO A2020 -12.338 -15.863 -0.255 1.00 13.24 H new ATOM 124 N ILE A2021 -10.457 -13.792 3.502 1.00 72.25 N ATOM 125 CA ILE A2021 -9.394 -13.641 4.483 1.00 32.41 C ATOM 126 C ILE A2021 -8.040 -13.824 3.793 1.00 54.24 C ATOM 127 O ILE A2021 -7.455 -14.903 3.842 1.00 71.10 O ATOM 128 CB ILE A2021 -9.615 -14.590 5.662 1.00 64.34 C ATOM 129 CG1 ILE A2021 -9.718 -16.042 5.187 1.00 53.21 C ATOM 130 CG2 ILE A2021 -10.836 -14.169 6.483 1.00 51.34 C ATOM 131 CD1 ILE A2021 -8.428 -16.808 5.484 1.00 5.43 C ATOM 0 H ILE A2021 -11.090 -14.572 3.676 1.00 72.25 H new ATOM 0 HA ILE A2021 -9.405 -12.636 4.905 1.00 32.41 H new ATOM 0 HB ILE A2021 -8.747 -14.526 6.318 1.00 64.34 H new ATOM 0 HG12 ILE A2021 -10.558 -16.531 5.681 1.00 53.21 H new ATOM 0 HG13 ILE A2021 -9.920 -16.065 4.116 1.00 53.21 H new ATOM 0 HG21 ILE A2021 -10.971 -14.860 7.315 1.00 51.34 H new ATOM 0 HG22 ILE A2021 -10.685 -13.161 6.869 1.00 51.34 H new ATOM 0 HG23 ILE A2021 -11.723 -14.186 5.850 1.00 51.34 H new ATOM 0 HD11 ILE A2021 -8.527 -17.836 5.137 1.00 5.43 H new ATOM 0 HD12 ILE A2021 -7.594 -16.330 4.969 1.00 5.43 H new ATOM 0 HD13 ILE A2021 -8.242 -16.804 6.558 1.00 5.43 H new ATOM 143 N LEU A2022 -7.584 -12.750 3.166 1.00 13.10 N ATOM 144 CA LEU A2022 -6.309 -12.777 2.468 1.00 64.24 C ATOM 145 C LEU A2022 -5.655 -11.397 2.556 1.00 42.14 C ATOM 146 O LEU A2022 -6.344 -10.385 2.695 1.00 3.55 O ATOM 147 CB LEU A2022 -6.496 -13.279 1.034 1.00 72.10 C ATOM 148 CG LEU A2022 -5.453 -14.280 0.534 1.00 24.11 C ATOM 149 CD1 LEU A2022 -4.162 -13.569 0.124 1.00 64.02 C ATOM 150 CD2 LEU A2022 -5.201 -15.374 1.573 1.00 62.54 C ATOM 0 H LEU A2022 -8.074 -11.856 3.126 1.00 13.10 H new ATOM 0 HA LEU A2022 -5.628 -13.483 2.943 1.00 64.24 H new ATOM 0 HB2 LEU A2022 -7.480 -13.741 0.957 1.00 72.10 H new ATOM 0 HB3 LEU A2022 -6.495 -12.418 0.365 1.00 72.10 H new ATOM 0 HG LEU A2022 -5.848 -14.768 -0.357 1.00 24.11 H new ATOM 0 HD11 LEU A2022 -3.438 -14.304 -0.227 1.00 64.02 H new ATOM 0 HD12 LEU A2022 -4.376 -12.859 -0.675 1.00 64.02 H new ATOM 0 HD13 LEU A2022 -3.752 -13.037 0.982 1.00 64.02 H new ATOM 0 HD21 LEU A2022 -4.456 -16.072 1.193 1.00 62.54 H new ATOM 0 HD22 LEU A2022 -4.837 -14.922 2.496 1.00 62.54 H new ATOM 0 HD23 LEU A2022 -6.130 -15.908 1.772 1.00 62.54 H new ATOM 162 N TRP A2023 -4.334 -11.398 2.474 1.00 12.24 N ATOM 163 CA TRP A2023 -3.578 -10.160 2.541 1.00 35.23 C ATOM 164 C TRP A2023 -4.164 -9.189 1.514 1.00 30.13 C ATOM 165 O TRP A2023 -4.540 -8.069 1.857 1.00 23.11 O ATOM 166 CB TRP A2023 -2.082 -10.415 2.336 1.00 21.23 C ATOM 167 CG TRP A2023 -1.307 -10.645 3.635 1.00 24.14 C ATOM 168 CD1 TRP A2023 -1.791 -10.994 4.835 1.00 21.12 C ATOM 169 CD2 TRP A2023 0.122 -10.527 3.816 1.00 72.21 C ATOM 170 NE1 TRP A2023 -0.783 -11.109 5.772 1.00 21.10 N ATOM 171 CE2 TRP A2023 0.415 -10.816 5.132 1.00 52.22 C ATOM 172 CE3 TRP A2023 1.129 -10.187 2.896 1.00 63.13 C ATOM 173 CZ2 TRP A2023 1.716 -10.795 5.649 1.00 60.14 C ATOM 174 CZ3 TRP A2023 2.424 -10.170 3.428 1.00 62.11 C ATOM 175 CH2 TRP A2023 2.738 -10.457 4.752 1.00 23.53 C ATOM 0 H TRP A2023 -3.767 -12.238 2.362 1.00 12.24 H new ATOM 0 HA TRP A2023 -3.663 -9.713 3.531 1.00 35.23 H new ATOM 0 HB2 TRP A2023 -1.957 -11.285 1.691 1.00 21.23 H new ATOM 0 HB3 TRP A2023 -1.647 -9.564 1.811 1.00 21.23 H new ATOM 0 HD1 TRP A2023 -2.837 -11.164 5.043 1.00 21.12 H new ATOM 0 HE1 TRP A2023 -0.897 -11.362 6.753 1.00 21.10 H new ATOM 0 HE3 TRP A2023 0.920 -9.957 1.862 1.00 63.13 H new ATOM 0 HZ2 TRP A2023 1.921 -11.027 6.684 1.00 60.14 H new ATOM 0 HZ3 TRP A2023 3.236 -9.916 2.763 1.00 62.11 H new ATOM 0 HH2 TRP A2023 3.764 -10.420 5.087 1.00 23.53 H new ATOM 186 N HIS A2024 -4.224 -9.655 0.275 1.00 54.03 N ATOM 187 CA HIS A2024 -4.758 -8.843 -0.804 1.00 75.22 C ATOM 188 C HIS A2024 -6.081 -8.211 -0.364 1.00 73.35 C ATOM 189 O HIS A2024 -6.501 -7.194 -0.915 1.00 2.51 O ATOM 190 CB HIS A2024 -4.893 -9.665 -2.088 1.00 13.51 C ATOM 191 CG HIS A2024 -3.767 -10.647 -2.307 1.00 0.03 C ATOM 192 ND1 HIS A2024 -3.973 -11.926 -2.797 1.00 72.43 N ATOM 193 CD2 HIS A2024 -2.424 -10.524 -2.101 1.00 23.35 C ATOM 194 CE1 HIS A2024 -2.800 -12.537 -2.877 1.00 63.41 C ATOM 195 NE2 HIS A2024 -1.842 -11.667 -2.443 1.00 33.23 N ATOM 0 H HIS A2024 -3.911 -10.585 -0.005 1.00 54.03 H new ATOM 0 HA HIS A2024 -4.065 -8.033 -1.031 1.00 75.22 H new ATOM 0 HB2 HIS A2024 -5.837 -10.210 -2.062 1.00 13.51 H new ATOM 0 HB3 HIS A2024 -4.940 -8.986 -2.939 1.00 13.51 H new ATOM 0 HD2 HIS A2024 -1.920 -9.646 -1.724 1.00 23.35 H new ATOM 0 HE1 HIS A2024 -2.632 -13.546 -3.224 1.00 63.41 H new ATOM 0 HE2 HIS A2024 -0.842 -11.863 -2.390 1.00 33.23 H new ATOM 204 N GLU A2025 -6.701 -8.839 0.623 1.00 12.15 N ATOM 205 CA GLU A2025 -7.966 -8.352 1.142 1.00 30.01 C ATOM 206 C GLU A2025 -7.750 -7.074 1.957 1.00 21.15 C ATOM 207 O GLU A2025 -8.559 -6.150 1.896 1.00 3.33 O ATOM 208 CB GLU A2025 -8.666 -9.424 1.981 1.00 5.02 C ATOM 209 CG GLU A2025 -10.180 -9.208 1.996 1.00 35.34 C ATOM 210 CD GLU A2025 -10.741 -9.165 0.574 1.00 25.52 C ATOM 211 OE1 GLU A2025 -10.769 -10.199 -0.113 1.00 63.11 O ATOM 212 OE2 GLU A2025 -11.163 -8.009 0.187 1.00 41.12 O ATOM 0 H GLU A2025 -6.350 -9.682 1.077 1.00 12.15 H new ATOM 0 HA GLU A2025 -8.614 -8.117 0.298 1.00 30.01 H new ATOM 0 HB2 GLU A2025 -8.440 -10.411 1.578 1.00 5.02 H new ATOM 0 HB3 GLU A2025 -8.282 -9.401 3.001 1.00 5.02 H new ATOM 0 HG2 GLU A2025 -10.660 -10.010 2.556 1.00 35.34 H new ATOM 0 HG3 GLU A2025 -10.413 -8.276 2.511 1.00 35.34 H new ATOM 220 N MET A2026 -6.653 -7.065 2.703 1.00 71.50 N ATOM 221 CA MET A2026 -6.319 -5.918 3.527 1.00 73.12 C ATOM 222 C MET A2026 -5.861 -4.738 2.667 1.00 1.23 C ATOM 223 O MET A2026 -6.079 -3.582 3.026 1.00 35.14 O ATOM 224 CB MET A2026 -5.208 -6.299 4.506 1.00 54.13 C ATOM 225 CG MET A2026 -3.833 -6.187 3.845 1.00 74.54 C ATOM 226 SD MET A2026 -3.148 -4.563 4.131 1.00 62.31 S ATOM 227 CE MET A2026 -1.406 -4.945 4.069 1.00 0.12 C ATOM 0 H MET A2026 -5.986 -7.835 2.753 1.00 71.50 H new ATOM 0 HA MET A2026 -7.211 -5.617 4.076 1.00 73.12 H new ATOM 0 HB2 MET A2026 -5.250 -5.649 5.380 1.00 54.13 H new ATOM 0 HB3 MET A2026 -5.364 -7.318 4.860 1.00 54.13 H new ATOM 0 HG2 MET A2026 -3.164 -6.949 4.246 1.00 74.54 H new ATOM 0 HG3 MET A2026 -3.919 -6.371 2.774 1.00 74.54 H new ATOM 0 HE1 MET A2026 -0.874 -4.135 3.570 1.00 0.12 H new ATOM 0 HE2 MET A2026 -1.023 -5.061 5.083 1.00 0.12 H new ATOM 0 HE3 MET A2026 -1.256 -5.873 3.516 1.00 0.12 H new ATOM 237 N TRP A2027 -5.235 -5.072 1.549 1.00 1.33 N ATOM 238 CA TRP A2027 -4.743 -4.055 0.634 1.00 33.04 C ATOM 239 C TRP A2027 -5.952 -3.375 -0.011 1.00 61.25 C ATOM 240 O TRP A2027 -6.045 -2.149 -0.024 1.00 70.32 O ATOM 241 CB TRP A2027 -3.779 -4.657 -0.389 1.00 41.11 C ATOM 242 CG TRP A2027 -2.431 -5.080 0.200 1.00 11.54 C ATOM 243 CD1 TRP A2027 -2.162 -6.150 0.960 1.00 75.44 C ATOM 244 CD2 TRP A2027 -1.171 -4.394 0.043 1.00 14.34 C ATOM 245 NE1 TRP A2027 -0.827 -6.203 1.305 1.00 42.24 N ATOM 246 CE2 TRP A2027 -0.205 -5.102 0.729 1.00 74.44 C ATOM 247 CE3 TRP A2027 -0.858 -3.215 -0.656 1.00 2.53 C ATOM 248 CZ2 TRP A2027 1.138 -4.709 0.783 1.00 42.04 C ATOM 249 CZ3 TRP A2027 0.489 -2.837 -0.592 1.00 34.13 C ATOM 250 CH2 TRP A2027 1.474 -3.538 0.095 1.00 61.13 C ATOM 0 H TRP A2027 -5.057 -6.032 1.255 1.00 1.33 H new ATOM 0 HA TRP A2027 -4.165 -3.302 1.169 1.00 33.04 H new ATOM 0 HB2 TRP A2027 -4.251 -5.525 -0.851 1.00 41.11 H new ATOM 0 HB3 TRP A2027 -3.605 -3.929 -1.182 1.00 41.11 H new ATOM 0 HD1 TRP A2027 -2.898 -6.880 1.264 1.00 75.44 H new ATOM 0 HE1 TRP A2027 -0.379 -6.919 1.877 1.00 42.24 H new ATOM 0 HE3 TRP A2027 -1.598 -2.646 -1.199 1.00 2.53 H new ATOM 0 HZ2 TRP A2027 1.876 -5.280 1.327 1.00 42.04 H new ATOM 0 HZ3 TRP A2027 0.783 -1.938 -1.113 1.00 34.13 H new ATOM 0 HH2 TRP A2027 2.493 -3.180 0.097 1.00 61.13 H new ATOM 261 N HIS A2028 -6.847 -4.202 -0.532 1.00 23.23 N ATOM 262 CA HIS A2028 -8.046 -3.696 -1.177 1.00 2.22 C ATOM 263 C HIS A2028 -8.817 -2.804 -0.204 1.00 33.23 C ATOM 264 O HIS A2028 -9.130 -1.658 -0.521 1.00 61.41 O ATOM 265 CB HIS A2028 -8.894 -4.846 -1.726 1.00 32.32 C ATOM 266 CG HIS A2028 -8.571 -5.221 -3.153 1.00 23.44 C ATOM 267 ND1 HIS A2028 -9.112 -4.561 -4.242 1.00 64.50 N ATOM 268 CD2 HIS A2028 -7.758 -6.194 -3.656 1.00 51.32 C ATOM 269 CE1 HIS A2028 -8.640 -5.119 -5.347 1.00 35.50 C ATOM 270 NE2 HIS A2028 -7.800 -6.132 -4.981 1.00 71.30 N ATOM 0 H HIS A2028 -6.765 -5.219 -0.520 1.00 23.23 H new ATOM 0 HA HIS A2028 -7.769 -3.083 -2.035 1.00 2.22 H new ATOM 0 HB2 HIS A2028 -8.756 -5.721 -1.091 1.00 32.32 H new ATOM 0 HB3 HIS A2028 -9.947 -4.570 -1.663 1.00 32.32 H new ATOM 0 HD1 HIS A2028 -9.764 -3.778 -4.201 1.00 64.50 H new ATOM 0 HD2 HIS A2028 -7.178 -6.896 -3.075 1.00 51.32 H new ATOM 0 HE1 HIS A2028 -8.877 -4.825 -6.359 1.00 35.50 H new ATOM 279 N GLU A2029 -9.099 -3.364 0.965 1.00 40.15 N ATOM 280 CA GLU A2029 -9.827 -2.632 1.988 1.00 33.25 C ATOM 281 C GLU A2029 -8.995 -1.448 2.486 1.00 73.11 C ATOM 282 O GLU A2029 -9.533 -0.372 2.746 1.00 63.40 O ATOM 283 CB GLU A2029 -10.218 -3.553 3.146 1.00 52.11 C ATOM 284 CG GLU A2029 -10.809 -4.864 2.627 1.00 2.12 C ATOM 285 CD GLU A2029 -12.317 -4.925 2.882 1.00 5.44 C ATOM 286 OE1 GLU A2029 -12.806 -4.320 3.846 1.00 24.30 O ATOM 287 OE2 GLU A2029 -12.985 -5.633 2.035 1.00 41.42 O ATOM 0 H GLU A2029 -8.837 -4.315 1.225 1.00 40.15 H new ATOM 0 HA GLU A2029 -10.746 -2.246 1.547 1.00 33.25 H new ATOM 0 HB2 GLU A2029 -9.342 -3.763 3.760 1.00 52.11 H new ATOM 0 HB3 GLU A2029 -10.944 -3.051 3.786 1.00 52.11 H new ATOM 0 HG2 GLU A2029 -10.613 -4.958 1.559 1.00 2.12 H new ATOM 0 HG3 GLU A2029 -10.320 -5.706 3.116 1.00 2.12 H new ATOM 295 N GLY A2030 -7.698 -1.683 2.605 1.00 22.44 N ATOM 296 CA GLY A2030 -6.787 -0.651 3.069 1.00 42.33 C ATOM 297 C GLY A2030 -6.905 0.609 2.208 1.00 52.21 C ATOM 298 O GLY A2030 -7.327 1.658 2.692 1.00 64.03 O ATOM 0 H GLY A2030 -7.255 -2.575 2.388 1.00 22.44 H new ATOM 0 HA2 GLY A2030 -7.006 -0.408 4.109 1.00 42.33 H new ATOM 0 HA3 GLY A2030 -5.763 -1.023 3.038 1.00 42.33 H new ATOM 302 N LEU A2031 -6.526 0.464 0.947 1.00 41.12 N ATOM 303 CA LEU A2031 -6.585 1.576 0.015 1.00 53.33 C ATOM 304 C LEU A2031 -8.022 2.095 -0.065 1.00 2.03 C ATOM 305 O LEU A2031 -8.246 3.283 -0.290 1.00 43.41 O ATOM 306 CB LEU A2031 -6.000 1.171 -1.341 1.00 63.44 C ATOM 307 CG LEU A2031 -4.511 1.459 -1.542 1.00 23.41 C ATOM 308 CD1 LEU A2031 -4.128 1.353 -3.020 1.00 73.12 C ATOM 309 CD2 LEU A2031 -4.129 2.816 -0.947 1.00 74.51 C ATOM 0 H LEU A2031 -6.177 -0.408 0.549 1.00 41.12 H new ATOM 0 HA LEU A2031 -5.968 2.402 0.369 1.00 53.33 H new ATOM 0 HB2 LEU A2031 -6.165 0.103 -1.481 1.00 63.44 H new ATOM 0 HB3 LEU A2031 -6.558 1.685 -2.123 1.00 63.44 H new ATOM 0 HG LEU A2031 -3.941 0.701 -1.005 1.00 23.41 H new ATOM 0 HD11 LEU A2031 -3.065 1.562 -3.136 1.00 73.12 H new ATOM 0 HD12 LEU A2031 -4.341 0.346 -3.380 1.00 73.12 H new ATOM 0 HD13 LEU A2031 -4.705 2.075 -3.598 1.00 73.12 H new ATOM 0 HD21 LEU A2031 -3.065 2.996 -1.104 1.00 74.51 H new ATOM 0 HD22 LEU A2031 -4.705 3.602 -1.434 1.00 74.51 H new ATOM 0 HD23 LEU A2031 -4.344 2.818 0.122 1.00 74.51 H new ATOM 321 N GLU A2032 -8.959 1.178 0.123 1.00 33.14 N ATOM 322 CA GLU A2032 -10.368 1.526 0.076 1.00 71.25 C ATOM 323 C GLU A2032 -10.663 2.677 1.041 1.00 51.42 C ATOM 324 O GLU A2032 -11.280 3.671 0.659 1.00 42.21 O ATOM 325 CB GLU A2032 -11.246 0.313 0.388 1.00 4.23 C ATOM 326 CG GLU A2032 -12.187 0.601 1.557 1.00 51.20 C ATOM 327 CD GLU A2032 -13.133 -0.577 1.805 1.00 10.34 C ATOM 328 OE1 GLU A2032 -13.667 -1.154 0.846 1.00 41.03 O ATOM 329 OE2 GLU A2032 -13.302 -0.890 3.044 1.00 11.31 O ATOM 0 H GLU A2032 -8.769 0.193 0.308 1.00 33.14 H new ATOM 0 HA GLU A2032 -10.606 1.854 -0.936 1.00 71.25 H new ATOM 0 HB2 GLU A2032 -11.828 0.045 -0.494 1.00 4.23 H new ATOM 0 HB3 GLU A2032 -10.616 -0.544 0.627 1.00 4.23 H new ATOM 0 HG2 GLU A2032 -11.604 0.799 2.457 1.00 51.20 H new ATOM 0 HG3 GLU A2032 -12.767 1.500 1.348 1.00 51.20 H new ATOM 337 N GLU A2033 -10.209 2.504 2.274 1.00 53.53 N ATOM 338 CA GLU A2033 -10.415 3.516 3.297 1.00 34.32 C ATOM 339 C GLU A2033 -9.500 4.716 3.049 1.00 32.42 C ATOM 340 O GLU A2033 -9.941 5.861 3.120 1.00 74.34 O ATOM 341 CB GLU A2033 -10.193 2.935 4.695 1.00 31.24 C ATOM 342 CG GLU A2033 -10.375 4.008 5.769 1.00 1.33 C ATOM 343 CD GLU A2033 -11.271 3.502 6.903 1.00 3.05 C ATOM 344 OE1 GLU A2033 -10.873 2.597 7.650 1.00 54.10 O ATOM 345 OE2 GLU A2033 -12.420 4.086 6.991 1.00 31.14 O ATOM 0 H GLU A2033 -9.699 1.678 2.588 1.00 53.53 H new ATOM 0 HA GLU A2033 -11.449 3.856 3.241 1.00 34.32 H new ATOM 0 HB2 GLU A2033 -10.894 2.119 4.869 1.00 31.24 H new ATOM 0 HB3 GLU A2033 -9.190 2.514 4.763 1.00 31.24 H new ATOM 0 HG2 GLU A2033 -9.403 4.296 6.169 1.00 1.33 H new ATOM 0 HG3 GLU A2033 -10.814 4.902 5.325 1.00 1.33 H new ATOM 353 N ALA A2034 -8.243 4.413 2.764 1.00 31.04 N ATOM 354 CA ALA A2034 -7.261 5.451 2.504 1.00 41.35 C ATOM 355 C ALA A2034 -7.765 6.351 1.374 1.00 2.33 C ATOM 356 O ALA A2034 -7.755 7.575 1.499 1.00 43.20 O ATOM 357 CB ALA A2034 -5.910 4.811 2.184 1.00 34.12 C ATOM 0 H ALA A2034 -7.881 3.461 2.707 1.00 31.04 H new ATOM 0 HA ALA A2034 -7.121 6.076 3.386 1.00 41.35 H new ATOM 0 HB1 ALA A2034 -5.175 5.592 1.989 1.00 34.12 H new ATOM 0 HB2 ALA A2034 -5.583 4.208 3.031 1.00 34.12 H new ATOM 0 HB3 ALA A2034 -6.008 4.176 1.303 1.00 34.12 H new ATOM 363 N SER A2035 -8.190 5.710 0.296 1.00 41.23 N ATOM 364 CA SER A2035 -8.695 6.435 -0.858 1.00 53.25 C ATOM 365 C SER A2035 -9.914 7.270 -0.457 1.00 43.41 C ATOM 366 O SER A2035 -10.035 8.429 -0.851 1.00 10.45 O ATOM 367 CB SER A2035 -9.055 5.479 -1.996 1.00 72.55 C ATOM 368 OG SER A2035 -10.326 4.864 -1.793 1.00 50.34 O ATOM 0 H SER A2035 -8.195 4.695 0.197 1.00 41.23 H new ATOM 0 HA SER A2035 -7.909 7.100 -1.216 1.00 53.25 H new ATOM 0 HB2 SER A2035 -9.062 6.025 -2.940 1.00 72.55 H new ATOM 0 HB3 SER A2035 -8.288 4.709 -2.079 1.00 72.55 H new ATOM 0 HG SER A2035 -10.354 4.457 -0.902 1.00 50.34 H new ATOM 374 N ARG A2036 -10.787 6.646 0.320 1.00 35.32 N ATOM 375 CA ARG A2036 -11.993 7.317 0.777 1.00 24.05 C ATOM 376 C ARG A2036 -11.636 8.612 1.509 1.00 51.20 C ATOM 377 O ARG A2036 -12.336 9.614 1.384 1.00 44.23 O ATOM 378 CB ARG A2036 -12.802 6.417 1.714 1.00 2.35 C ATOM 379 CG ARG A2036 -14.300 6.709 1.597 1.00 0.23 C ATOM 380 CD ARG A2036 -14.984 6.611 2.961 1.00 34.41 C ATOM 381 NE ARG A2036 -16.373 6.122 2.797 1.00 2.42 N ATOM 382 CZ ARG A2036 -17.416 6.910 2.464 1.00 63.22 C ATOM 383 NH1 ARG A2036 -17.240 8.232 2.260 1.00 43.41 N ATOM 384 NH2 ARG A2036 -18.615 6.367 2.344 1.00 74.03 N ATOM 0 H ARG A2036 -10.684 5.684 0.644 1.00 35.32 H new ATOM 0 HA ARG A2036 -12.597 7.547 -0.101 1.00 24.05 H new ATOM 0 HB2 ARG A2036 -12.612 5.371 1.473 1.00 2.35 H new ATOM 0 HB3 ARG A2036 -12.477 6.572 2.743 1.00 2.35 H new ATOM 0 HG2 ARG A2036 -14.449 7.706 1.182 1.00 0.23 H new ATOM 0 HG3 ARG A2036 -14.759 6.004 0.904 1.00 0.23 H new ATOM 0 HD2 ARG A2036 -14.426 5.935 3.609 1.00 34.41 H new ATOM 0 HD3 ARG A2036 -14.988 7.587 3.446 1.00 34.41 H new ATOM 0 HE ARG A2036 -16.551 5.129 2.945 1.00 2.42 H new ATOM 0 HH11 ARG A2036 -16.312 8.644 2.357 1.00 43.41 H new ATOM 0 HH12 ARG A2036 -18.035 8.820 2.009 1.00 43.41 H new ATOM 0 HH21 ARG A2036 -18.740 5.367 2.503 1.00 74.03 H new ATOM 0 HH22 ARG A2036 -19.415 6.948 2.093 1.00 74.03 H new ATOM 396 N LEU A2037 -10.544 8.550 2.259 1.00 23.15 N ATOM 397 CA LEU A2037 -10.085 9.704 3.010 1.00 31.11 C ATOM 398 C LEU A2037 -9.518 10.745 2.042 1.00 1.30 C ATOM 399 O LEU A2037 -9.655 11.947 2.267 1.00 61.15 O ATOM 400 CB LEU A2037 -9.098 9.277 4.100 1.00 63.33 C ATOM 401 CG LEU A2037 -9.636 8.295 5.144 1.00 44.24 C ATOM 402 CD1 LEU A2037 -8.604 7.212 5.460 1.00 54.43 C ATOM 403 CD2 LEU A2037 -10.099 9.032 6.401 1.00 32.13 C ATOM 0 H LEU A2037 -9.964 7.717 2.362 1.00 23.15 H new ATOM 0 HA LEU A2037 -10.918 10.174 3.532 1.00 31.11 H new ATOM 0 HB2 LEU A2037 -8.229 8.826 3.620 1.00 63.33 H new ATOM 0 HB3 LEU A2037 -8.749 10.171 4.617 1.00 63.33 H new ATOM 0 HG LEU A2037 -10.509 7.794 4.725 1.00 44.24 H new ATOM 0 HD11 LEU A2037 -9.011 6.528 6.204 1.00 54.43 H new ATOM 0 HD12 LEU A2037 -8.366 6.660 4.551 1.00 54.43 H new ATOM 0 HD13 LEU A2037 -7.698 7.676 5.851 1.00 54.43 H new ATOM 0 HD21 LEU A2037 -10.477 8.312 7.127 1.00 32.13 H new ATOM 0 HD22 LEU A2037 -9.260 9.577 6.833 1.00 32.13 H new ATOM 0 HD23 LEU A2037 -10.891 9.734 6.140 1.00 32.13 H new ATOM 415 N TYR A2038 -8.892 10.245 0.986 1.00 61.15 N ATOM 416 CA TYR A2038 -8.304 11.118 -0.016 1.00 22.13 C ATOM 417 C TYR A2038 -9.381 11.706 -0.932 1.00 33.42 C ATOM 418 O TYR A2038 -9.463 12.922 -1.097 1.00 73.11 O ATOM 419 CB TYR A2038 -7.373 10.234 -0.850 1.00 33.02 C ATOM 420 CG TYR A2038 -6.614 10.988 -1.944 1.00 34.14 C ATOM 421 CD1 TYR A2038 -5.580 11.836 -1.607 1.00 61.13 C ATOM 422 CD2 TYR A2038 -6.965 10.817 -3.267 1.00 64.45 C ATOM 423 CE1 TYR A2038 -4.866 12.546 -2.638 1.00 10.33 C ATOM 424 CE2 TYR A2038 -6.252 11.527 -4.299 1.00 14.21 C ATOM 425 CZ TYR A2038 -5.238 12.356 -3.932 1.00 2.21 C ATOM 426 OH TYR A2038 -4.564 13.026 -4.905 1.00 62.55 O ATOM 0 H TYR A2038 -8.779 9.248 0.803 1.00 61.15 H new ATOM 0 HA TYR A2038 -7.781 11.949 0.458 1.00 22.13 H new ATOM 0 HB2 TYR A2038 -6.653 9.755 -0.187 1.00 33.02 H new ATOM 0 HB3 TYR A2038 -7.960 9.439 -1.311 1.00 33.02 H new ATOM 0 HD1 TYR A2038 -5.305 11.968 -0.571 1.00 61.13 H new ATOM 0 HD2 TYR A2038 -7.774 10.151 -3.530 1.00 64.45 H new ATOM 0 HE1 TYR A2038 -4.054 13.213 -2.389 1.00 10.33 H new ATOM 0 HE2 TYR A2038 -6.517 11.404 -5.339 1.00 14.21 H new ATOM 0 HH TYR A2038 -4.937 12.793 -5.781 1.00 62.55 H new ATOM 436 N PHE A2039 -10.182 10.815 -1.500 1.00 3.44 N ATOM 437 CA PHE A2039 -11.249 11.231 -2.392 1.00 62.20 C ATOM 438 C PHE A2039 -12.417 11.830 -1.608 1.00 60.50 C ATOM 439 O PHE A2039 -12.950 12.875 -1.981 1.00 63.32 O ATOM 440 CB PHE A2039 -11.731 9.978 -3.127 1.00 72.10 C ATOM 441 CG PHE A2039 -10.741 9.443 -4.161 1.00 1.03 C ATOM 442 CD1 PHE A2039 -10.570 10.098 -5.342 1.00 11.14 C ATOM 443 CD2 PHE A2039 -10.031 8.312 -3.903 1.00 22.25 C ATOM 444 CE1 PHE A2039 -9.649 9.601 -6.302 1.00 1.24 C ATOM 445 CE2 PHE A2039 -9.112 7.815 -4.864 1.00 12.13 C ATOM 446 CZ PHE A2039 -8.940 8.469 -6.042 1.00 4.04 C ATOM 0 H PHE A2039 -10.112 9.807 -1.359 1.00 3.44 H new ATOM 0 HA PHE A2039 -10.883 11.991 -3.082 1.00 62.20 H new ATOM 0 HB2 PHE A2039 -11.934 9.196 -2.395 1.00 72.10 H new ATOM 0 HB3 PHE A2039 -12.675 10.202 -3.625 1.00 72.10 H new ATOM 0 HD1 PHE A2039 -11.134 10.995 -5.549 1.00 11.14 H new ATOM 0 HD2 PHE A2039 -10.166 7.792 -2.966 1.00 22.25 H new ATOM 0 HE1 PHE A2039 -9.511 10.121 -7.238 1.00 1.24 H new ATOM 0 HE2 PHE A2039 -8.549 6.916 -4.658 1.00 12.13 H new ATOM 0 HZ PHE A2039 -8.240 8.090 -6.772 1.00 4.04 H new ATOM 456 N GLY A2040 -12.784 11.142 -0.536 1.00 14.14 N ATOM 457 CA GLY A2040 -13.879 11.593 0.304 1.00 60.11 C ATOM 458 C GLY A2040 -13.569 12.958 0.924 1.00 33.42 C ATOM 459 O GLY A2040 -14.360 13.892 0.805 1.00 60.02 O ATOM 0 H GLY A2040 -12.341 10.275 -0.231 1.00 14.14 H new ATOM 0 HA2 GLY A2040 -14.793 11.657 -0.287 1.00 60.11 H new ATOM 0 HA3 GLY A2040 -14.061 10.864 1.094 1.00 60.11 H new ATOM 463 N GLU A2041 -12.418 13.027 1.575 1.00 14.31 N ATOM 464 CA GLU A2041 -11.993 14.261 2.214 1.00 14.21 C ATOM 465 C GLU A2041 -10.542 14.577 1.846 1.00 74.44 C ATOM 466 O GLU A2041 -9.956 13.915 0.993 1.00 41.33 O ATOM 467 CB GLU A2041 -12.167 14.180 3.732 1.00 40.24 C ATOM 468 CG GLU A2041 -11.559 12.890 4.288 1.00 41.13 C ATOM 469 CD GLU A2041 -12.186 12.522 5.634 1.00 64.05 C ATOM 470 OE1 GLU A2041 -12.840 11.477 5.746 1.00 33.41 O ATOM 471 OE2 GLU A2041 -11.973 13.368 6.583 1.00 34.31 O ATOM 0 H GLU A2041 -11.766 12.249 1.674 1.00 14.31 H new ATOM 0 HA GLU A2041 -12.625 15.071 1.851 1.00 14.21 H new ATOM 0 HB2 GLU A2041 -11.693 15.041 4.202 1.00 40.24 H new ATOM 0 HB3 GLU A2041 -13.227 14.224 3.983 1.00 40.24 H new ATOM 0 HG2 GLU A2041 -11.711 12.077 3.578 1.00 41.13 H new ATOM 0 HG3 GLU A2041 -10.482 13.013 4.406 1.00 41.13 H new ATOM 479 N ARG A2042 -10.005 15.592 2.508 1.00 51.04 N ATOM 480 CA ARG A2042 -8.634 16.005 2.261 1.00 10.02 C ATOM 481 C ARG A2042 -7.745 15.634 3.449 1.00 1.25 C ATOM 482 O ARG A2042 -6.763 16.320 3.734 1.00 21.44 O ATOM 483 CB ARG A2042 -8.548 17.514 2.021 1.00 72.21 C ATOM 484 CG ARG A2042 -7.804 17.822 0.720 1.00 31.43 C ATOM 485 CD ARG A2042 -8.593 17.322 -0.492 1.00 43.21 C ATOM 486 NE ARG A2042 -9.044 18.470 -1.310 1.00 62.54 N ATOM 487 CZ ARG A2042 -10.119 18.442 -2.125 1.00 25.41 C ATOM 488 NH1 ARG A2042 -10.864 17.320 -2.240 1.00 40.44 N ATOM 489 NH2 ARG A2042 -10.434 19.527 -2.809 1.00 61.41 N ATOM 0 H ARG A2042 -10.495 16.140 3.215 1.00 51.04 H new ATOM 0 HA ARG A2042 -8.288 15.486 1.367 1.00 10.02 H new ATOM 0 HB2 ARG A2042 -9.552 17.937 1.979 1.00 72.21 H new ATOM 0 HB3 ARG A2042 -8.037 17.990 2.858 1.00 72.21 H new ATOM 0 HG2 ARG A2042 -7.641 18.896 0.635 1.00 31.43 H new ATOM 0 HG3 ARG A2042 -6.821 17.351 0.738 1.00 31.43 H new ATOM 0 HD2 ARG A2042 -7.971 16.659 -1.093 1.00 43.21 H new ATOM 0 HD3 ARG A2042 -9.453 16.740 -0.162 1.00 43.21 H new ATOM 0 HE ARG A2042 -8.509 19.336 -1.254 1.00 62.54 H new ATOM 0 HH11 ARG A2042 -10.615 16.486 -1.708 1.00 40.44 H new ATOM 0 HH12 ARG A2042 -11.675 17.308 -2.858 1.00 40.44 H new ATOM 0 HH21 ARG A2042 -9.868 20.370 -2.717 1.00 61.41 H new ATOM 0 HH22 ARG A2042 -11.244 19.522 -3.429 1.00 61.41 H new ATOM 501 N ASN A2043 -8.120 14.549 4.111 1.00 4.00 N ATOM 502 CA ASN A2043 -7.370 14.077 5.263 1.00 45.31 C ATOM 503 C ASN A2043 -6.509 12.883 4.849 1.00 0.13 C ATOM 504 O ASN A2043 -6.933 11.735 4.970 1.00 25.30 O ATOM 505 CB ASN A2043 -8.307 13.620 6.382 1.00 55.41 C ATOM 506 CG ASN A2043 -7.901 14.237 7.722 1.00 70.23 C ATOM 507 OD1 ASN A2043 -7.612 15.418 7.828 1.00 33.43 O ATOM 508 ND2 ASN A2043 -7.900 13.377 8.736 1.00 43.23 N ATOM 0 H ASN A2043 -8.934 13.983 3.871 1.00 4.00 H new ATOM 0 HA ASN A2043 -6.753 14.900 5.625 1.00 45.31 H new ATOM 0 HB2 ASN A2043 -9.332 13.904 6.142 1.00 55.41 H new ATOM 0 HB3 ASN A2043 -8.287 12.533 6.457 1.00 55.41 H new ATOM 0 HD21 ASN A2043 -7.647 13.693 9.672 1.00 43.23 H new ATOM 0 HD22 ASN A2043 -8.152 12.402 8.578 1.00 43.23 H new ATOM 515 N VAL A2044 -5.313 13.193 4.370 1.00 51.23 N ATOM 516 CA VAL A2044 -4.387 12.159 3.938 1.00 20.22 C ATOM 517 C VAL A2044 -3.914 11.363 5.156 1.00 23.12 C ATOM 518 O VAL A2044 -3.462 10.227 5.021 1.00 14.14 O ATOM 519 CB VAL A2044 -3.235 12.784 3.148 1.00 73.35 C ATOM 520 CG1 VAL A2044 -2.019 11.856 3.126 1.00 61.20 C ATOM 521 CG2 VAL A2044 -3.676 13.145 1.729 1.00 32.04 C ATOM 0 H VAL A2044 -4.963 14.146 4.271 1.00 51.23 H new ATOM 0 HA VAL A2044 -4.883 11.460 3.265 1.00 20.22 H new ATOM 0 HB VAL A2044 -2.944 13.705 3.652 1.00 73.35 H new ATOM 0 HG11 VAL A2044 -1.215 12.324 2.558 1.00 61.20 H new ATOM 0 HG12 VAL A2044 -1.683 11.672 4.147 1.00 61.20 H new ATOM 0 HG13 VAL A2044 -2.291 10.910 2.657 1.00 61.20 H new ATOM 0 HG21 VAL A2044 -2.839 13.587 1.189 1.00 32.04 H new ATOM 0 HG22 VAL A2044 -4.007 12.245 1.211 1.00 32.04 H new ATOM 0 HG23 VAL A2044 -4.497 13.860 1.774 1.00 32.04 H new ATOM 531 N LYS A2045 -4.035 11.990 6.317 1.00 54.13 N ATOM 532 CA LYS A2045 -3.626 11.354 7.557 1.00 44.21 C ATOM 533 C LYS A2045 -4.301 9.987 7.671 1.00 62.11 C ATOM 534 O LYS A2045 -3.661 9.002 8.041 1.00 73.23 O ATOM 535 CB LYS A2045 -3.898 12.276 8.748 1.00 10.14 C ATOM 536 CG LYS A2045 -5.206 13.045 8.555 1.00 75.12 C ATOM 537 CD LYS A2045 -4.939 14.467 8.058 1.00 73.22 C ATOM 538 CE LYS A2045 -5.164 15.491 9.173 1.00 22.14 C ATOM 539 NZ LYS A2045 -5.079 16.868 8.638 1.00 53.40 N ATOM 0 H LYS A2045 -4.411 12.932 6.425 1.00 54.13 H new ATOM 0 HA LYS A2045 -2.550 11.179 7.558 1.00 44.21 H new ATOM 0 HB2 LYS A2045 -3.949 11.688 9.664 1.00 10.14 H new ATOM 0 HB3 LYS A2045 -3.073 12.978 8.866 1.00 10.14 H new ATOM 0 HG2 LYS A2045 -5.839 12.519 7.840 1.00 75.12 H new ATOM 0 HG3 LYS A2045 -5.752 13.082 9.497 1.00 75.12 H new ATOM 0 HD2 LYS A2045 -3.915 14.542 7.693 1.00 73.22 H new ATOM 0 HD3 LYS A2045 -5.595 14.691 7.217 1.00 73.22 H new ATOM 0 HE2 LYS A2045 -6.141 15.332 9.629 1.00 22.14 H new ATOM 0 HE3 LYS A2045 -4.420 15.353 9.957 1.00 22.14 H new ATOM 0 HZ1 LYS A2045 -5.030 17.544 9.426 1.00 53.40 H new ATOM 0 HZ2 LYS A2045 -4.226 16.960 8.050 1.00 53.40 H new ATOM 0 HZ3 LYS A2045 -5.921 17.069 8.061 1.00 53.40 H new ATOM 552 N GLY A2046 -5.586 9.967 7.348 1.00 41.41 N ATOM 553 CA GLY A2046 -6.354 8.737 7.409 1.00 24.14 C ATOM 554 C GLY A2046 -5.670 7.622 6.616 1.00 62.31 C ATOM 555 O GLY A2046 -5.407 6.546 7.150 1.00 71.41 O ATOM 0 H GLY A2046 -6.114 10.785 7.043 1.00 41.41 H new ATOM 0 HA2 GLY A2046 -6.472 8.429 8.448 1.00 24.14 H new ATOM 0 HA3 GLY A2046 -7.354 8.909 7.012 1.00 24.14 H new ATOM 559 N MET A2047 -5.400 7.917 5.354 1.00 44.51 N ATOM 560 CA MET A2047 -4.750 6.955 4.481 1.00 21.33 C ATOM 561 C MET A2047 -3.435 6.461 5.091 1.00 62.33 C ATOM 562 O MET A2047 -3.187 5.257 5.150 1.00 72.44 O ATOM 563 CB MET A2047 -4.472 7.601 3.123 1.00 61.10 C ATOM 564 CG MET A2047 -3.510 6.744 2.295 1.00 73.21 C ATOM 565 SD MET A2047 -1.822 7.137 2.723 1.00 74.43 S ATOM 566 CE MET A2047 -1.701 8.778 2.031 1.00 15.34 C ATOM 0 H MET A2047 -5.620 8.811 4.914 1.00 44.51 H new ATOM 0 HA MET A2047 -5.415 6.100 4.356 1.00 21.33 H new ATOM 0 HB2 MET A2047 -5.408 7.732 2.580 1.00 61.10 H new ATOM 0 HB3 MET A2047 -4.047 8.594 3.269 1.00 61.10 H new ATOM 0 HG2 MET A2047 -3.703 5.687 2.476 1.00 73.21 H new ATOM 0 HG3 MET A2047 -3.675 6.920 1.232 1.00 73.21 H new ATOM 0 HE1 MET A2047 -1.101 8.746 1.121 1.00 15.34 H new ATOM 0 HE2 MET A2047 -2.699 9.148 1.795 1.00 15.34 H new ATOM 0 HE3 MET A2047 -1.229 9.444 2.754 1.00 15.34 H new ATOM 576 N PHE A2048 -2.629 7.417 5.528 1.00 3.35 N ATOM 577 CA PHE A2048 -1.346 7.094 6.130 1.00 74.33 C ATOM 578 C PHE A2048 -1.530 6.231 7.380 1.00 12.43 C ATOM 579 O PHE A2048 -0.746 5.316 7.625 1.00 73.40 O ATOM 580 CB PHE A2048 -0.695 8.421 6.532 1.00 64.44 C ATOM 581 CG PHE A2048 0.085 9.098 5.405 1.00 24.03 C ATOM 582 CD1 PHE A2048 0.871 8.353 4.580 1.00 53.03 C ATOM 583 CD2 PHE A2048 -0.005 10.442 5.226 1.00 74.32 C ATOM 584 CE1 PHE A2048 1.596 8.983 3.534 1.00 21.35 C ATOM 585 CE2 PHE A2048 0.719 11.071 4.180 1.00 40.51 C ATOM 586 CZ PHE A2048 1.503 10.327 3.355 1.00 55.41 C ATOM 0 H PHE A2048 -2.839 8.414 5.478 1.00 3.35 H new ATOM 0 HA PHE A2048 -0.732 6.537 5.423 1.00 74.33 H new ATOM 0 HB2 PHE A2048 -1.470 9.102 6.884 1.00 64.44 H new ATOM 0 HB3 PHE A2048 -0.022 8.244 7.371 1.00 64.44 H new ATOM 0 HD1 PHE A2048 0.943 7.285 4.721 1.00 53.03 H new ATOM 0 HD2 PHE A2048 -0.629 11.033 5.881 1.00 74.32 H new ATOM 0 HE1 PHE A2048 2.222 8.394 2.880 1.00 21.35 H new ATOM 0 HE2 PHE A2048 0.647 12.139 4.039 1.00 40.51 H new ATOM 0 HZ PHE A2048 2.052 10.804 2.557 1.00 55.41 H new ATOM 596 N GLU A2049 -2.568 6.552 8.136 1.00 60.34 N ATOM 597 CA GLU A2049 -2.865 5.817 9.354 1.00 54.31 C ATOM 598 C GLU A2049 -3.504 4.468 9.017 1.00 35.11 C ATOM 599 O GLU A2049 -3.602 3.593 9.878 1.00 65.43 O ATOM 600 CB GLU A2049 -3.764 6.635 10.283 1.00 21.14 C ATOM 601 CG GLU A2049 -3.182 8.030 10.523 1.00 72.44 C ATOM 602 CD GLU A2049 -2.452 8.094 11.866 1.00 54.55 C ATOM 603 OE1 GLU A2049 -2.986 7.633 12.886 1.00 60.42 O ATOM 604 OE2 GLU A2049 -1.287 8.650 11.828 1.00 64.14 O ATOM 0 H GLU A2049 -3.215 7.312 7.929 1.00 60.34 H new ATOM 0 HA GLU A2049 -1.929 5.631 9.881 1.00 54.31 H new ATOM 0 HB2 GLU A2049 -4.759 6.723 9.847 1.00 21.14 H new ATOM 0 HB3 GLU A2049 -3.877 6.116 11.235 1.00 21.14 H new ATOM 0 HG2 GLU A2049 -2.493 8.284 9.718 1.00 72.44 H new ATOM 0 HG3 GLU A2049 -3.982 8.770 10.504 1.00 72.44 H new ATOM 612 N VAL A2050 -3.922 4.344 7.766 1.00 34.13 N ATOM 613 CA VAL A2050 -4.548 3.117 7.306 1.00 31.11 C ATOM 614 C VAL A2050 -3.464 2.108 6.921 1.00 11.21 C ATOM 615 O VAL A2050 -3.548 0.933 7.274 1.00 33.42 O ATOM 616 CB VAL A2050 -5.516 3.421 6.161 1.00 54.13 C ATOM 617 CG1 VAL A2050 -5.878 2.148 5.395 1.00 31.44 C ATOM 618 CG2 VAL A2050 -6.773 4.126 6.679 1.00 4.11 C ATOM 0 H VAL A2050 -3.839 5.073 7.057 1.00 34.13 H new ATOM 0 HA VAL A2050 -5.140 2.668 8.104 1.00 31.11 H new ATOM 0 HB VAL A2050 -5.014 4.096 5.468 1.00 54.13 H new ATOM 0 HG11 VAL A2050 -6.567 2.393 4.587 1.00 31.44 H new ATOM 0 HG12 VAL A2050 -4.974 1.704 4.979 1.00 31.44 H new ATOM 0 HG13 VAL A2050 -6.352 1.438 6.073 1.00 31.44 H new ATOM 0 HG21 VAL A2050 -7.445 4.331 5.845 1.00 4.11 H new ATOM 0 HG22 VAL A2050 -7.277 3.486 7.403 1.00 4.11 H new ATOM 0 HG23 VAL A2050 -6.493 5.064 7.158 1.00 4.11 H new ATOM 628 N LEU A2051 -2.469 2.605 6.199 1.00 61.32 N ATOM 629 CA LEU A2051 -1.369 1.761 5.761 1.00 44.55 C ATOM 630 C LEU A2051 -0.422 1.514 6.937 1.00 43.14 C ATOM 631 O LEU A2051 0.005 0.385 7.169 1.00 44.43 O ATOM 632 CB LEU A2051 -0.684 2.369 4.536 1.00 24.54 C ATOM 633 CG LEU A2051 -1.568 2.564 3.300 1.00 74.02 C ATOM 634 CD1 LEU A2051 -3.049 2.407 3.656 1.00 52.42 C ATOM 635 CD2 LEU A2051 -1.279 3.906 2.626 1.00 64.42 C ATOM 0 H LEU A2051 -2.402 3.580 5.907 1.00 61.32 H new ATOM 0 HA LEU A2051 -1.739 0.787 5.440 1.00 44.55 H new ATOM 0 HB2 LEU A2051 -0.270 3.337 4.819 1.00 24.54 H new ATOM 0 HB3 LEU A2051 0.156 1.732 4.260 1.00 24.54 H new ATOM 0 HG LEU A2051 -1.326 1.784 2.579 1.00 74.02 H new ATOM 0 HD11 LEU A2051 -3.655 2.550 2.762 1.00 52.42 H new ATOM 0 HD12 LEU A2051 -3.223 1.408 4.056 1.00 52.42 H new ATOM 0 HD13 LEU A2051 -3.324 3.151 4.404 1.00 52.42 H new ATOM 0 HD21 LEU A2051 -1.920 4.019 1.752 1.00 64.42 H new ATOM 0 HD22 LEU A2051 -1.477 4.716 3.328 1.00 64.42 H new ATOM 0 HD23 LEU A2051 -0.234 3.941 2.317 1.00 64.42 H new ATOM 647 N GLU A2052 -0.121 2.593 7.646 1.00 34.32 N ATOM 648 CA GLU A2052 0.770 2.508 8.793 1.00 74.43 C ATOM 649 C GLU A2052 0.578 1.173 9.517 1.00 73.23 C ATOM 650 O GLU A2052 1.537 0.430 9.719 1.00 14.51 O ATOM 651 CB GLU A2052 0.549 3.684 9.746 1.00 1.45 C ATOM 652 CG GLU A2052 1.747 4.637 9.726 1.00 63.32 C ATOM 653 CD GLU A2052 2.959 4.009 10.413 1.00 13.23 C ATOM 654 OE1 GLU A2052 3.853 3.481 9.734 1.00 61.13 O ATOM 655 OE2 GLU A2052 2.955 4.083 11.702 1.00 0.24 O ATOM 0 H GLU A2052 -0.477 3.528 7.450 1.00 34.32 H new ATOM 0 HA GLU A2052 1.798 2.560 8.435 1.00 74.43 H new ATOM 0 HB2 GLU A2052 -0.354 4.223 9.461 1.00 1.45 H new ATOM 0 HB3 GLU A2052 0.392 3.312 10.758 1.00 1.45 H new ATOM 0 HG2 GLU A2052 1.999 4.889 8.696 1.00 63.32 H new ATOM 0 HG3 GLU A2052 1.483 5.569 10.226 1.00 63.32 H new ATOM 663 N PRO A2053 -0.701 0.903 9.894 1.00 32.23 N ATOM 664 CA PRO A2053 -1.029 -0.329 10.592 1.00 64.21 C ATOM 665 C PRO A2053 -1.024 -1.519 9.631 1.00 64.42 C ATOM 666 O PRO A2053 -0.381 -2.534 9.894 1.00 35.24 O ATOM 667 CB PRO A2053 -2.391 -0.076 11.216 1.00 21.32 C ATOM 668 CG PRO A2053 -2.980 1.109 10.467 1.00 31.35 C ATOM 669 CD PRO A2053 -1.861 1.759 9.671 1.00 45.12 C ATOM 0 HA PRO A2053 -0.297 -0.588 11.357 1.00 64.21 H new ATOM 0 HB2 PRO A2053 -3.031 -0.953 11.124 1.00 21.32 H new ATOM 0 HB3 PRO A2053 -2.299 0.141 12.280 1.00 21.32 H new ATOM 0 HG2 PRO A2053 -3.780 0.782 9.803 1.00 31.35 H new ATOM 0 HG3 PRO A2053 -3.417 1.823 11.165 1.00 31.35 H new ATOM 0 HD2 PRO A2053 -2.111 1.818 8.612 1.00 45.12 H new ATOM 0 HD3 PRO A2053 -1.673 2.777 10.011 1.00 45.12 H new ATOM 677 N LEU A2054 -1.751 -1.358 8.535 1.00 65.23 N ATOM 678 CA LEU A2054 -1.840 -2.407 7.532 1.00 13.33 C ATOM 679 C LEU A2054 -0.432 -2.896 7.186 1.00 12.23 C ATOM 680 O LEU A2054 -0.141 -4.087 7.293 1.00 2.30 O ATOM 681 CB LEU A2054 -2.639 -1.923 6.320 1.00 3.24 C ATOM 682 CG LEU A2054 -4.138 -2.225 6.342 1.00 51.34 C ATOM 683 CD1 LEU A2054 -4.608 -2.566 7.757 1.00 73.24 C ATOM 684 CD2 LEU A2054 -4.937 -1.069 5.737 1.00 45.12 C ATOM 0 H LEU A2054 -2.285 -0.516 8.319 1.00 65.23 H new ATOM 0 HA LEU A2054 -2.388 -3.264 7.924 1.00 13.33 H new ATOM 0 HB2 LEU A2054 -2.507 -0.845 6.230 1.00 3.24 H new ATOM 0 HB3 LEU A2054 -2.211 -2.373 5.424 1.00 3.24 H new ATOM 0 HG LEU A2054 -4.319 -3.103 5.722 1.00 51.34 H new ATOM 0 HD11 LEU A2054 -5.677 -2.776 7.744 1.00 73.24 H new ATOM 0 HD12 LEU A2054 -4.070 -3.443 8.118 1.00 73.24 H new ATOM 0 HD13 LEU A2054 -4.412 -1.722 8.419 1.00 73.24 H new ATOM 0 HD21 LEU A2054 -6.000 -1.308 5.764 1.00 45.12 H new ATOM 0 HD22 LEU A2054 -4.754 -0.161 6.311 1.00 45.12 H new ATOM 0 HD23 LEU A2054 -4.626 -0.914 4.704 1.00 45.12 H new ATOM 696 N HIS A2055 0.404 -1.951 6.781 1.00 4.31 N ATOM 697 CA HIS A2055 1.775 -2.271 6.418 1.00 34.52 C ATOM 698 C HIS A2055 2.492 -2.892 7.620 1.00 43.33 C ATOM 699 O HIS A2055 3.089 -3.961 7.507 1.00 41.13 O ATOM 700 CB HIS A2055 2.495 -1.037 5.871 1.00 74.31 C ATOM 701 CG HIS A2055 2.095 -0.668 4.462 1.00 74.41 C ATOM 702 ND1 HIS A2055 2.451 0.532 3.873 1.00 1.42 N ATOM 703 CD2 HIS A2055 1.368 -1.354 3.534 1.00 50.15 C ATOM 704 CE1 HIS A2055 1.955 0.557 2.644 1.00 43.13 C ATOM 705 NE2 HIS A2055 1.284 -0.612 2.436 1.00 12.05 N ATOM 0 H HIS A2055 0.159 -0.964 6.696 1.00 4.31 H new ATOM 0 HA HIS A2055 1.780 -3.008 5.615 1.00 34.52 H new ATOM 0 HB2 HIS A2055 2.295 -0.191 6.528 1.00 74.31 H new ATOM 0 HB3 HIS A2055 3.570 -1.214 5.898 1.00 74.31 H new ATOM 0 HD2 HIS A2055 0.934 -2.334 3.669 1.00 50.15 H new ATOM 0 HE1 HIS A2055 2.063 1.362 1.932 1.00 43.13 H new ATOM 0 HE2 HIS A2055 0.798 -0.873 1.578 1.00 12.05 H new ATOM 714 N ALA A2056 2.410 -2.192 8.744 1.00 30.40 N ATOM 715 CA ALA A2056 3.042 -2.660 9.964 1.00 13.25 C ATOM 716 C ALA A2056 2.605 -4.100 10.241 1.00 32.00 C ATOM 717 O ALA A2056 3.439 -4.969 10.492 1.00 3.24 O ATOM 718 CB ALA A2056 2.694 -1.714 11.115 1.00 53.32 C ATOM 0 H ALA A2056 1.915 -1.305 8.833 1.00 30.40 H new ATOM 0 HA ALA A2056 4.127 -2.660 9.858 1.00 13.25 H new ATOM 0 HB1 ALA A2056 3.169 -2.066 12.031 1.00 53.32 H new ATOM 0 HB2 ALA A2056 3.052 -0.711 10.883 1.00 53.32 H new ATOM 0 HB3 ALA A2056 1.613 -1.690 11.252 1.00 53.32 H new ATOM 724 N MET A2057 1.298 -4.307 10.185 1.00 31.54 N ATOM 725 CA MET A2057 0.739 -5.628 10.428 1.00 53.34 C ATOM 726 C MET A2057 1.429 -6.683 9.560 1.00 63.33 C ATOM 727 O MET A2057 1.656 -7.806 10.007 1.00 43.13 O ATOM 728 CB MET A2057 -0.760 -5.613 10.118 1.00 5.33 C ATOM 729 CG MET A2057 -1.104 -6.630 9.029 1.00 44.13 C ATOM 730 SD MET A2057 -2.873 -6.722 8.819 1.00 61.44 S ATOM 731 CE MET A2057 -2.958 -7.205 7.102 1.00 41.43 C ATOM 0 H MET A2057 0.610 -3.584 9.975 1.00 31.54 H new ATOM 0 HA MET A2057 0.900 -5.883 11.475 1.00 53.34 H new ATOM 0 HB2 MET A2057 -1.324 -5.839 11.023 1.00 5.33 H new ATOM 0 HB3 MET A2057 -1.059 -4.615 9.796 1.00 5.33 H new ATOM 0 HG2 MET A2057 -0.632 -6.343 8.089 1.00 44.13 H new ATOM 0 HG3 MET A2057 -0.710 -7.610 9.297 1.00 44.13 H new ATOM 0 HE1 MET A2057 -3.989 -7.446 6.842 1.00 41.43 H new ATOM 0 HE2 MET A2057 -2.608 -6.385 6.475 1.00 41.43 H new ATOM 0 HE3 MET A2057 -2.329 -8.080 6.939 1.00 41.43 H new ATOM 741 N MET A2058 1.742 -6.283 8.337 1.00 3.43 N ATOM 742 CA MET A2058 2.402 -7.180 7.403 1.00 21.42 C ATOM 743 C MET A2058 3.829 -7.488 7.856 1.00 4.42 C ATOM 744 O MET A2058 4.316 -8.604 7.670 1.00 14.33 O ATOM 745 CB MET A2058 2.432 -6.539 6.014 1.00 33.42 C ATOM 746 CG MET A2058 1.015 -6.312 5.483 1.00 64.12 C ATOM 747 SD MET A2058 0.622 -7.541 4.250 1.00 24.24 S ATOM 748 CE MET A2058 -1.056 -7.928 4.723 1.00 31.25 C ATOM 0 H MET A2058 1.551 -5.350 7.971 1.00 3.43 H new ATOM 0 HA MET A2058 1.843 -8.115 7.368 1.00 21.42 H new ATOM 0 HB2 MET A2058 2.963 -5.588 6.060 1.00 33.42 H new ATOM 0 HB3 MET A2058 2.984 -7.180 5.326 1.00 33.42 H new ATOM 0 HG2 MET A2058 0.298 -6.364 6.302 1.00 64.12 H new ATOM 0 HG3 MET A2058 0.935 -5.314 5.052 1.00 64.12 H new ATOM 0 HE1 MET A2058 -1.614 -8.260 3.847 1.00 31.25 H new ATOM 0 HE2 MET A2058 -1.050 -8.721 5.471 1.00 31.25 H new ATOM 0 HE3 MET A2058 -1.531 -7.040 5.140 1.00 31.25 H new ATOM 758 N GLU A2059 4.463 -6.480 8.438 1.00 3.13 N ATOM 759 CA GLU A2059 5.826 -6.630 8.917 1.00 50.10 C ATOM 760 C GLU A2059 5.856 -7.511 10.168 1.00 44.42 C ATOM 761 O GLU A2059 6.431 -8.598 10.152 1.00 63.12 O ATOM 762 CB GLU A2059 6.464 -5.267 9.191 1.00 42.14 C ATOM 763 CG GLU A2059 6.001 -4.230 8.167 1.00 42.14 C ATOM 764 CD GLU A2059 7.041 -3.118 8.005 1.00 64.42 C ATOM 765 OE1 GLU A2059 7.349 -2.410 8.974 1.00 61.34 O ATOM 766 OE2 GLU A2059 7.536 -3.003 6.819 1.00 22.43 O ATOM 0 H GLU A2059 4.057 -5.556 8.588 1.00 3.13 H new ATOM 0 HA GLU A2059 6.412 -7.119 8.138 1.00 50.10 H new ATOM 0 HB2 GLU A2059 6.202 -4.934 10.195 1.00 42.14 H new ATOM 0 HB3 GLU A2059 7.550 -5.356 9.158 1.00 42.14 H new ATOM 0 HG2 GLU A2059 5.828 -4.714 7.206 1.00 42.14 H new ATOM 0 HG3 GLU A2059 5.050 -3.801 8.483 1.00 42.14 H new ATOM 774 N ARG A2060 5.228 -7.009 11.221 1.00 33.31 N ATOM 775 CA ARG A2060 5.173 -7.736 12.477 1.00 14.43 C ATOM 776 C ARG A2060 4.273 -8.964 12.341 1.00 31.34 C ATOM 777 O ARG A2060 4.392 -9.916 13.114 1.00 0.30 O ATOM 778 CB ARG A2060 4.649 -6.848 13.607 1.00 43.31 C ATOM 779 CG ARG A2060 3.206 -6.417 13.336 1.00 54.23 C ATOM 780 CD ARG A2060 2.755 -5.354 14.341 1.00 71.55 C ATOM 781 NE ARG A2060 2.170 -6.004 15.536 1.00 25.31 N ATOM 782 CZ ARG A2060 2.885 -6.396 16.612 1.00 3.22 C ATOM 783 NH1 ARG A2060 4.221 -6.205 16.653 1.00 3.11 N ATOM 784 NH2 ARG A2060 2.259 -6.967 17.623 1.00 15.22 N ATOM 0 H ARG A2060 4.753 -6.107 11.230 1.00 33.31 H new ATOM 0 HA ARG A2060 6.187 -8.051 12.721 1.00 14.43 H new ATOM 0 HB2 ARG A2060 4.700 -7.387 14.553 1.00 43.31 H new ATOM 0 HB3 ARG A2060 5.283 -5.967 13.707 1.00 43.31 H new ATOM 0 HG2 ARG A2060 3.124 -6.023 12.323 1.00 54.23 H new ATOM 0 HG3 ARG A2060 2.546 -7.283 13.396 1.00 54.23 H new ATOM 0 HD2 ARG A2060 3.603 -4.734 14.632 1.00 71.55 H new ATOM 0 HD3 ARG A2060 2.021 -4.694 13.880 1.00 71.55 H new ATOM 0 HE ARG A2060 1.163 -6.166 15.547 1.00 25.31 H new ATOM 0 HH11 ARG A2060 4.697 -5.762 15.867 1.00 3.11 H new ATOM 0 HH12 ARG A2060 4.754 -6.504 17.470 1.00 3.11 H new ATOM 0 HH21 ARG A2060 1.249 -7.107 17.584 1.00 15.22 H new ATOM 0 HH22 ARG A2060 2.785 -7.269 18.443 1.00 15.22 H new ATOM 796 N GLY A2061 3.390 -8.905 11.355 1.00 12.53 N ATOM 797 CA GLY A2061 2.469 -10.001 11.108 1.00 14.13 C ATOM 798 C GLY A2061 2.726 -10.637 9.740 1.00 45.02 C ATOM 799 O GLY A2061 2.027 -10.340 8.774 1.00 72.14 O ATOM 0 H GLY A2061 3.293 -8.115 10.717 1.00 12.53 H new ATOM 0 HA2 GLY A2061 2.577 -10.754 11.889 1.00 14.13 H new ATOM 0 HA3 GLY A2061 1.443 -9.636 11.156 1.00 14.13 H new ATOM 803 N PRO A2062 3.758 -11.522 9.703 1.00 70.12 N ATOM 804 CA PRO A2062 4.114 -12.202 8.469 1.00 42.51 C ATOM 805 C PRO A2062 3.107 -13.306 8.140 1.00 52.50 C ATOM 806 O PRO A2062 1.996 -13.314 8.666 1.00 22.10 O ATOM 807 CB PRO A2062 5.521 -12.730 8.705 1.00 24.42 C ATOM 808 CG PRO A2062 5.718 -12.732 10.212 1.00 41.21 C ATOM 809 CD PRO A2062 4.605 -11.898 10.829 1.00 51.10 C ATOM 0 HA PRO A2062 4.090 -11.542 7.602 1.00 42.51 H new ATOM 0 HB2 PRO A2062 5.636 -13.733 8.295 1.00 24.42 H new ATOM 0 HB3 PRO A2062 6.262 -12.099 8.215 1.00 24.42 H new ATOM 0 HG2 PRO A2062 5.691 -13.751 10.599 1.00 41.21 H new ATOM 0 HG3 PRO A2062 6.693 -12.318 10.470 1.00 41.21 H new ATOM 0 HD2 PRO A2062 4.047 -12.469 11.571 1.00 51.10 H new ATOM 0 HD3 PRO A2062 5.003 -11.019 11.336 1.00 51.10 H new ATOM 817 N GLN A2063 3.534 -14.212 7.271 1.00 51.01 N ATOM 818 CA GLN A2063 2.686 -15.318 6.866 1.00 72.43 C ATOM 819 C GLN A2063 3.517 -16.591 6.693 1.00 64.11 C ATOM 820 O GLN A2063 3.384 -17.535 7.470 1.00 61.34 O ATOM 821 CB GLN A2063 1.922 -14.982 5.583 1.00 31.21 C ATOM 822 CG GLN A2063 0.433 -14.777 5.868 1.00 34.31 C ATOM 823 CD GLN A2063 -0.231 -16.091 6.283 1.00 3.11 C ATOM 824 OE1 GLN A2063 0.391 -17.137 6.352 1.00 11.53 O ATOM 825 NE2 GLN A2063 -1.528 -15.980 6.556 1.00 44.11 N ATOM 0 H GLN A2063 4.457 -14.201 6.837 1.00 51.01 H new ATOM 0 HA GLN A2063 1.951 -15.493 7.652 1.00 72.43 H new ATOM 0 HB2 GLN A2063 2.337 -14.080 5.134 1.00 31.21 H new ATOM 0 HB3 GLN A2063 2.050 -15.786 4.858 1.00 31.21 H new ATOM 0 HG2 GLN A2063 0.309 -14.037 6.659 1.00 34.31 H new ATOM 0 HG3 GLN A2063 -0.060 -14.381 4.980 1.00 34.31 H new ATOM 0 HE21 GLN A2063 -1.990 -15.074 6.479 1.00 44.11 H new ATOM 0 HE22 GLN A2063 -2.061 -16.801 6.843 1.00 44.11 H new ATOM 834 N THR A2064 4.357 -16.574 5.668 1.00 30.32 N ATOM 835 CA THR A2064 5.210 -17.716 5.382 1.00 24.23 C ATOM 836 C THR A2064 6.139 -17.406 4.207 1.00 3.02 C ATOM 837 O THR A2064 5.999 -16.370 3.556 1.00 54.12 O ATOM 838 CB THR A2064 4.312 -18.930 5.143 1.00 14.02 C ATOM 839 OG1 THR A2064 5.220 -19.968 4.784 1.00 44.22 O ATOM 840 CG2 THR A2064 3.423 -18.767 3.907 1.00 73.45 C ATOM 0 H THR A2064 4.465 -15.789 5.026 1.00 30.32 H new ATOM 0 HA THR A2064 5.865 -17.940 6.224 1.00 24.23 H new ATOM 0 HB THR A2064 3.687 -19.097 6.020 1.00 14.02 H new ATOM 0 HG1 THR A2064 4.721 -20.794 4.613 1.00 44.22 H new ATOM 0 HG21 THR A2064 2.806 -19.657 3.783 1.00 73.45 H new ATOM 0 HG22 THR A2064 2.781 -17.895 4.033 1.00 73.45 H new ATOM 0 HG23 THR A2064 4.048 -18.633 3.024 1.00 73.45 H new ATOM 848 N LEU A2065 7.066 -18.322 3.969 1.00 3.35 N ATOM 849 CA LEU A2065 8.018 -18.159 2.882 1.00 61.51 C ATOM 850 C LEU A2065 7.267 -17.760 1.610 1.00 44.53 C ATOM 851 O LEU A2065 7.817 -17.069 0.752 1.00 62.41 O ATOM 852 CB LEU A2065 8.870 -19.420 2.724 1.00 61.41 C ATOM 853 CG LEU A2065 10.385 -19.217 2.792 1.00 51.21 C ATOM 854 CD1 LEU A2065 10.808 -17.974 2.007 1.00 55.40 C ATOM 855 CD2 LEU A2065 10.867 -19.171 4.243 1.00 11.25 C ATOM 0 H LEU A2065 7.179 -19.180 4.510 1.00 3.35 H new ATOM 0 HA LEU A2065 8.719 -17.355 3.105 1.00 61.51 H new ATOM 0 HB2 LEU A2065 8.583 -20.129 3.501 1.00 61.41 H new ATOM 0 HB3 LEU A2065 8.627 -19.881 1.767 1.00 61.41 H new ATOM 0 HG LEU A2065 10.866 -20.074 2.320 1.00 51.21 H new ATOM 0 HD11 LEU A2065 11.889 -17.853 2.072 1.00 55.40 H new ATOM 0 HD12 LEU A2065 10.518 -18.087 0.963 1.00 55.40 H new ATOM 0 HD13 LEU A2065 10.319 -17.095 2.427 1.00 55.40 H new ATOM 0 HD21 LEU A2065 11.947 -19.026 4.263 1.00 11.25 H new ATOM 0 HD22 LEU A2065 10.380 -18.345 4.762 1.00 11.25 H new ATOM 0 HD23 LEU A2065 10.618 -20.109 4.739 1.00 11.25 H new ATOM 867 N LYS A2066 6.025 -18.212 1.526 1.00 64.11 N ATOM 868 CA LYS A2066 5.194 -17.910 0.373 1.00 64.30 C ATOM 869 C LYS A2066 4.886 -16.412 0.349 1.00 42.40 C ATOM 870 O LYS A2066 5.090 -15.749 -0.668 1.00 50.34 O ATOM 871 CB LYS A2066 3.946 -18.794 0.365 1.00 44.41 C ATOM 872 CG LYS A2066 4.194 -20.088 -0.414 1.00 74.35 C ATOM 873 CD LYS A2066 3.477 -21.270 0.243 1.00 54.23 C ATOM 874 CE LYS A2066 4.463 -22.391 0.575 1.00 21.25 C ATOM 875 NZ LYS A2066 4.658 -22.493 2.038 1.00 54.12 N ATOM 0 H LYS A2066 5.573 -18.786 2.238 1.00 64.11 H new ATOM 0 HA LYS A2066 5.726 -18.141 -0.550 1.00 64.30 H new ATOM 0 HB2 LYS A2066 3.658 -19.032 1.389 1.00 44.41 H new ATOM 0 HB3 LYS A2066 3.114 -18.250 -0.082 1.00 44.41 H new ATOM 0 HG2 LYS A2066 3.845 -19.971 -1.440 1.00 74.35 H new ATOM 0 HG3 LYS A2066 5.264 -20.288 -0.462 1.00 74.35 H new ATOM 0 HD2 LYS A2066 2.978 -20.937 1.153 1.00 54.23 H new ATOM 0 HD3 LYS A2066 2.703 -21.647 -0.425 1.00 54.23 H new ATOM 0 HE2 LYS A2066 4.091 -23.338 0.185 1.00 21.25 H new ATOM 0 HE3 LYS A2066 5.419 -22.199 0.087 1.00 21.25 H new ATOM 0 HZ1 LYS A2066 5.330 -23.259 2.246 1.00 54.12 H new ATOM 0 HZ2 LYS A2066 5.034 -21.594 2.402 1.00 54.12 H new ATOM 0 HZ3 LYS A2066 3.747 -22.698 2.496 1.00 54.12 H new ATOM 888 N GLU A2067 4.402 -15.921 1.481 1.00 32.13 N ATOM 889 CA GLU A2067 4.065 -14.512 1.603 1.00 4.24 C ATOM 890 C GLU A2067 5.336 -13.663 1.623 1.00 12.33 C ATOM 891 O GLU A2067 5.307 -12.486 1.267 1.00 3.21 O ATOM 892 CB GLU A2067 3.215 -14.259 2.848 1.00 73.54 C ATOM 893 CG GLU A2067 1.726 -14.216 2.496 1.00 45.00 C ATOM 894 CD GLU A2067 1.415 -13.037 1.572 1.00 61.23 C ATOM 895 OE1 GLU A2067 2.205 -12.085 1.495 1.00 5.23 O ATOM 896 OE2 GLU A2067 0.306 -13.134 0.919 1.00 31.30 O ATOM 0 H GLU A2067 4.235 -16.474 2.322 1.00 32.13 H new ATOM 0 HA GLU A2067 3.473 -14.222 0.735 1.00 4.24 H new ATOM 0 HB2 GLU A2067 3.396 -15.044 3.582 1.00 73.54 H new ATOM 0 HB3 GLU A2067 3.511 -13.317 3.309 1.00 73.54 H new ATOM 0 HG2 GLU A2067 1.436 -15.148 2.012 1.00 45.00 H new ATOM 0 HG3 GLU A2067 1.135 -14.133 3.408 1.00 45.00 H new ATOM 904 N THR A2068 6.424 -14.292 2.045 1.00 74.21 N ATOM 905 CA THR A2068 7.703 -13.607 2.119 1.00 5.43 C ATOM 906 C THR A2068 8.053 -12.984 0.765 1.00 50.45 C ATOM 907 O THR A2068 8.665 -11.918 0.707 1.00 22.22 O ATOM 908 CB THR A2068 8.749 -14.609 2.614 1.00 64.35 C ATOM 909 OG1 THR A2068 8.414 -14.811 3.983 1.00 21.32 O ATOM 910 CG2 THR A2068 10.157 -14.013 2.658 1.00 1.34 C ATOM 0 H THR A2068 6.445 -15.268 2.339 1.00 74.21 H new ATOM 0 HA THR A2068 7.667 -12.777 2.825 1.00 5.43 H new ATOM 0 HB THR A2068 8.747 -15.486 1.966 1.00 64.35 H new ATOM 0 HG1 THR A2068 7.535 -15.240 4.045 1.00 21.32 H new ATOM 0 HG21 THR A2068 10.860 -14.766 3.016 1.00 1.34 H new ATOM 0 HG22 THR A2068 10.448 -13.692 1.658 1.00 1.34 H new ATOM 0 HG23 THR A2068 10.169 -13.156 3.332 1.00 1.34 H new ATOM 918 N SER A2069 7.650 -13.676 -0.291 1.00 62.45 N ATOM 919 CA SER A2069 7.912 -13.203 -1.639 1.00 21.25 C ATOM 920 C SER A2069 7.080 -11.953 -1.928 1.00 35.11 C ATOM 921 O SER A2069 7.573 -11.000 -2.531 1.00 73.44 O ATOM 922 CB SER A2069 7.611 -14.291 -2.673 1.00 72.23 C ATOM 923 OG SER A2069 8.800 -14.838 -3.235 1.00 61.14 O ATOM 0 H SER A2069 7.144 -14.560 -0.240 1.00 62.45 H new ATOM 0 HA SER A2069 8.970 -12.952 -1.712 1.00 21.25 H new ATOM 0 HB2 SER A2069 7.033 -15.087 -2.204 1.00 72.23 H new ATOM 0 HB3 SER A2069 6.993 -13.874 -3.468 1.00 72.23 H new ATOM 0 HG SER A2069 8.565 -15.530 -3.888 1.00 61.14 H new ATOM 929 N PHE A2070 5.832 -11.995 -1.483 1.00 22.23 N ATOM 930 CA PHE A2070 4.928 -10.877 -1.686 1.00 72.45 C ATOM 931 C PHE A2070 5.447 -9.618 -0.987 1.00 63.42 C ATOM 932 O PHE A2070 5.583 -8.568 -1.615 1.00 14.22 O ATOM 933 CB PHE A2070 3.584 -11.271 -1.068 1.00 61.10 C ATOM 934 CG PHE A2070 2.569 -10.129 -1.006 1.00 55.42 C ATOM 935 CD1 PHE A2070 2.690 -9.162 -0.057 1.00 44.33 C ATOM 936 CD2 PHE A2070 1.544 -10.080 -1.899 1.00 53.54 C ATOM 937 CE1 PHE A2070 1.747 -8.101 0.001 1.00 4.33 C ATOM 938 CE2 PHE A2070 0.601 -9.019 -1.842 1.00 33.42 C ATOM 939 CZ PHE A2070 0.723 -8.052 -0.893 1.00 3.30 C ATOM 0 H PHE A2070 5.427 -12.786 -0.983 1.00 22.23 H new ATOM 0 HA PHE A2070 4.839 -10.659 -2.750 1.00 72.45 H new ATOM 0 HB2 PHE A2070 3.157 -12.092 -1.645 1.00 61.10 H new ATOM 0 HB3 PHE A2070 3.756 -11.646 -0.059 1.00 61.10 H new ATOM 0 HD1 PHE A2070 3.503 -9.201 0.653 1.00 44.33 H new ATOM 0 HD2 PHE A2070 1.447 -10.848 -2.652 1.00 53.54 H new ATOM 0 HE1 PHE A2070 1.843 -7.334 0.755 1.00 4.33 H new ATOM 0 HE2 PHE A2070 -0.212 -8.980 -2.552 1.00 33.42 H new ATOM 0 HZ PHE A2070 0.007 -7.245 -0.849 1.00 3.30 H new ATOM 949 N ASN A2071 5.721 -9.764 0.300 1.00 14.02 N ATOM 950 CA ASN A2071 6.222 -8.653 1.090 1.00 71.03 C ATOM 951 C ASN A2071 7.525 -8.140 0.473 1.00 34.22 C ATOM 952 O ASN A2071 7.837 -6.955 0.569 1.00 45.21 O ATOM 953 CB ASN A2071 6.520 -9.087 2.526 1.00 12.43 C ATOM 954 CG ASN A2071 6.301 -7.931 3.505 1.00 11.11 C ATOM 955 OD1 ASN A2071 5.188 -7.504 3.763 1.00 12.42 O ATOM 956 ND2 ASN A2071 7.425 -7.451 4.033 1.00 5.32 N ATOM 0 H ASN A2071 5.605 -10.636 0.816 1.00 14.02 H new ATOM 0 HA ASN A2071 5.458 -7.876 1.099 1.00 71.03 H new ATOM 0 HB2 ASN A2071 5.877 -9.925 2.797 1.00 12.43 H new ATOM 0 HB3 ASN A2071 7.549 -9.439 2.597 1.00 12.43 H new ATOM 0 HD21 ASN A2071 7.387 -6.678 4.698 1.00 5.32 H new ATOM 0 HD22 ASN A2071 8.324 -7.856 3.773 1.00 5.32 H new ATOM 963 N GLN A2072 8.251 -9.060 -0.147 1.00 44.03 N ATOM 964 CA GLN A2072 9.511 -8.715 -0.781 1.00 14.25 C ATOM 965 C GLN A2072 9.263 -8.067 -2.144 1.00 42.22 C ATOM 966 O GLN A2072 9.997 -7.167 -2.552 1.00 13.23 O ATOM 967 CB GLN A2072 10.412 -9.946 -0.915 1.00 42.03 C ATOM 968 CG GLN A2072 11.487 -9.959 0.172 1.00 10.42 C ATOM 969 CD GLN A2072 12.821 -10.464 -0.381 1.00 51.44 C ATOM 970 OE1 GLN A2072 13.589 -9.734 -0.988 1.00 52.00 O ATOM 971 NE2 GLN A2072 13.054 -11.752 -0.142 1.00 21.32 N ATOM 0 H GLN A2072 7.990 -10.043 -0.223 1.00 44.03 H new ATOM 0 HA GLN A2072 10.027 -7.993 -0.148 1.00 14.25 H new ATOM 0 HB2 GLN A2072 9.809 -10.852 -0.846 1.00 42.03 H new ATOM 0 HB3 GLN A2072 10.883 -9.951 -1.898 1.00 42.03 H new ATOM 0 HG2 GLN A2072 11.614 -8.954 0.575 1.00 10.42 H new ATOM 0 HG3 GLN A2072 11.167 -10.595 0.997 1.00 10.42 H new ATOM 0 HE21 GLN A2072 12.370 -12.307 0.372 1.00 21.32 H new ATOM 0 HE22 GLN A2072 13.917 -12.184 -0.473 1.00 21.32 H new ATOM 980 N ALA A2073 8.226 -8.549 -2.813 1.00 34.13 N ATOM 981 CA ALA A2073 7.869 -8.029 -4.122 1.00 73.40 C ATOM 982 C ALA A2073 7.580 -6.531 -4.008 1.00 73.33 C ATOM 983 O ALA A2073 7.755 -5.785 -4.970 1.00 22.45 O ATOM 984 CB ALA A2073 6.680 -8.814 -4.677 1.00 73.24 C ATOM 0 H ALA A2073 7.620 -9.296 -2.472 1.00 34.13 H new ATOM 0 HA ALA A2073 8.694 -8.153 -4.823 1.00 73.40 H new ATOM 0 HB1 ALA A2073 6.413 -8.424 -5.659 1.00 73.24 H new ATOM 0 HB2 ALA A2073 6.949 -9.867 -4.766 1.00 73.24 H new ATOM 0 HB3 ALA A2073 5.830 -8.712 -4.002 1.00 73.24 H new ATOM 990 N TYR A2074 7.138 -6.135 -2.823 1.00 73.13 N ATOM 991 CA TYR A2074 6.821 -4.738 -2.571 1.00 14.30 C ATOM 992 C TYR A2074 7.774 -4.138 -1.537 1.00 31.03 C ATOM 993 O TYR A2074 7.893 -2.919 -1.429 1.00 70.40 O ATOM 994 CB TYR A2074 5.399 -4.724 -2.005 1.00 1.11 C ATOM 995 CG TYR A2074 4.344 -5.284 -2.962 1.00 11.22 C ATOM 996 CD1 TYR A2074 4.118 -4.673 -4.176 1.00 45.42 C ATOM 997 CD2 TYR A2074 3.617 -6.403 -2.607 1.00 20.03 C ATOM 998 CE1 TYR A2074 3.126 -5.199 -5.076 1.00 34.25 C ATOM 999 CE2 TYR A2074 2.624 -6.931 -3.507 1.00 23.42 C ATOM 1000 CZ TYR A2074 2.427 -6.302 -4.696 1.00 50.20 C ATOM 1001 OH TYR A2074 1.489 -6.801 -5.546 1.00 2.05 O ATOM 0 H TYR A2074 6.992 -6.756 -2.027 1.00 73.13 H new ATOM 0 HA TYR A2074 6.913 -4.152 -3.486 1.00 14.30 H new ATOM 0 HB2 TYR A2074 5.381 -5.302 -1.081 1.00 1.11 H new ATOM 0 HB3 TYR A2074 5.132 -3.700 -1.745 1.00 1.11 H new ATOM 0 HD1 TYR A2074 4.687 -3.797 -4.453 1.00 45.42 H new ATOM 0 HD2 TYR A2074 3.793 -6.882 -1.655 1.00 20.03 H new ATOM 0 HE1 TYR A2074 2.941 -4.729 -6.031 1.00 34.25 H new ATOM 0 HE2 TYR A2074 2.049 -7.806 -3.243 1.00 23.42 H new ATOM 0 HH TYR A2074 1.300 -7.734 -5.314 1.00 2.05 H new ATOM 1011 N GLY A2075 8.432 -5.023 -0.801 1.00 12.25 N ATOM 1012 CA GLY A2075 9.373 -4.596 0.222 1.00 75.05 C ATOM 1013 C GLY A2075 10.118 -3.332 -0.214 1.00 63.21 C ATOM 1014 O GLY A2075 10.291 -2.405 0.577 1.00 31.15 O ATOM 0 H GLY A2075 8.332 -6.034 -0.893 1.00 12.25 H new ATOM 0 HA2 GLY A2075 8.841 -4.406 1.154 1.00 75.05 H new ATOM 0 HA3 GLY A2075 10.088 -5.394 0.420 1.00 75.05 H new ATOM 1018 N ARG A2076 10.539 -3.334 -1.470 1.00 34.03 N ATOM 1019 CA ARG A2076 11.261 -2.200 -2.019 1.00 41.21 C ATOM 1020 C ARG A2076 10.286 -1.089 -2.413 1.00 75.03 C ATOM 1021 O ARG A2076 10.548 0.088 -2.168 1.00 30.15 O ATOM 1022 CB ARG A2076 12.079 -2.610 -3.245 1.00 51.53 C ATOM 1023 CG ARG A2076 12.871 -1.422 -3.797 1.00 43.12 C ATOM 1024 CD ARG A2076 13.983 -1.007 -2.832 1.00 40.22 C ATOM 1025 NE ARG A2076 15.276 -1.579 -3.274 1.00 42.45 N ATOM 1026 CZ ARG A2076 15.756 -2.770 -2.863 1.00 1.22 C ATOM 1027 NH1 ARG A2076 15.056 -3.530 -1.995 1.00 20.14 N ATOM 1028 NH2 ARG A2076 16.923 -3.183 -3.324 1.00 14.32 N ATOM 0 H ARG A2076 10.394 -4.104 -2.123 1.00 34.03 H new ATOM 0 HA ARG A2076 11.940 -1.835 -1.248 1.00 41.21 H new ATOM 0 HB2 ARG A2076 12.763 -3.415 -2.978 1.00 51.53 H new ATOM 0 HB3 ARG A2076 11.415 -2.999 -4.017 1.00 51.53 H new ATOM 0 HG2 ARG A2076 13.303 -1.685 -4.763 1.00 43.12 H new ATOM 0 HG3 ARG A2076 12.199 -0.580 -3.967 1.00 43.12 H new ATOM 0 HD2 ARG A2076 14.052 0.080 -2.790 1.00 40.22 H new ATOM 0 HD3 ARG A2076 13.749 -1.351 -1.825 1.00 40.22 H new ATOM 0 HE ARG A2076 15.839 -1.038 -3.931 1.00 42.45 H new ATOM 0 HH11 ARG A2076 14.155 -3.205 -1.644 1.00 20.14 H new ATOM 0 HH12 ARG A2076 15.428 -4.430 -1.690 1.00 20.14 H new ATOM 0 HH21 ARG A2076 17.446 -2.603 -3.980 1.00 14.32 H new ATOM 0 HH22 ARG A2076 17.301 -4.081 -3.024 1.00 14.32 H new ATOM 1040 N ASP A2077 9.181 -1.502 -3.017 1.00 41.02 N ATOM 1041 CA ASP A2077 8.165 -0.556 -3.447 1.00 3.15 C ATOM 1042 C ASP A2077 7.681 0.248 -2.241 1.00 62.25 C ATOM 1043 O ASP A2077 7.831 1.470 -2.203 1.00 33.32 O ATOM 1044 CB ASP A2077 6.960 -1.280 -4.048 1.00 43.33 C ATOM 1045 CG ASP A2077 7.121 -1.704 -5.510 1.00 55.23 C ATOM 1046 OD1 ASP A2077 7.590 -0.924 -6.352 1.00 70.24 O ATOM 1047 OD2 ASP A2077 6.737 -2.906 -5.775 1.00 11.43 O ATOM 0 H ASP A2077 8.967 -2.479 -3.219 1.00 41.02 H new ATOM 0 HA ASP A2077 8.607 0.096 -4.201 1.00 3.15 H new ATOM 0 HB2 ASP A2077 6.753 -2.167 -3.449 1.00 43.33 H new ATOM 0 HB3 ASP A2077 6.088 -0.631 -3.968 1.00 43.33 H new ATOM 1053 N LEU A2078 7.108 -0.467 -1.282 1.00 2.35 N ATOM 1054 CA LEU A2078 6.601 0.167 -0.078 1.00 30.03 C ATOM 1055 C LEU A2078 7.696 1.044 0.532 1.00 4.31 C ATOM 1056 O LEU A2078 7.409 2.108 1.078 1.00 41.22 O ATOM 1057 CB LEU A2078 6.048 -0.884 0.886 1.00 20.42 C ATOM 1058 CG LEU A2078 4.773 -1.601 0.438 1.00 52.10 C ATOM 1059 CD1 LEU A2078 4.198 -2.460 1.568 1.00 51.32 C ATOM 1060 CD2 LEU A2078 3.746 -0.606 -0.104 1.00 64.12 C ATOM 0 H LEU A2078 6.984 -1.479 -1.316 1.00 2.35 H new ATOM 0 HA LEU A2078 5.763 0.823 -0.316 1.00 30.03 H new ATOM 0 HB2 LEU A2078 6.821 -1.633 1.058 1.00 20.42 H new ATOM 0 HB3 LEU A2078 5.853 -0.402 1.844 1.00 20.42 H new ATOM 0 HG LEU A2078 5.031 -2.275 -0.379 1.00 52.10 H new ATOM 0 HD11 LEU A2078 3.292 -2.958 1.222 1.00 51.32 H new ATOM 0 HD12 LEU A2078 4.932 -3.208 1.866 1.00 51.32 H new ATOM 0 HD13 LEU A2078 3.959 -1.826 2.422 1.00 51.32 H new ATOM 0 HD21 LEU A2078 2.849 -1.142 -0.415 1.00 64.12 H new ATOM 0 HD22 LEU A2078 3.488 0.111 0.675 1.00 64.12 H new ATOM 0 HD23 LEU A2078 4.168 -0.077 -0.959 1.00 64.12 H new ATOM 1072 N MET A2079 8.926 0.566 0.419 1.00 41.33 N ATOM 1073 CA MET A2079 10.064 1.294 0.951 1.00 51.14 C ATOM 1074 C MET A2079 10.168 2.686 0.323 1.00 4.41 C ATOM 1075 O MET A2079 10.326 3.680 1.029 1.00 50.24 O ATOM 1076 CB MET A2079 11.349 0.512 0.671 1.00 31.34 C ATOM 1077 CG MET A2079 11.850 -0.188 1.937 1.00 12.23 C ATOM 1078 SD MET A2079 13.574 0.195 2.205 1.00 63.04 S ATOM 1079 CE MET A2079 13.692 -0.117 3.957 1.00 20.12 C ATOM 0 H MET A2079 9.159 -0.318 -0.034 1.00 41.33 H new ATOM 0 HA MET A2079 9.925 1.409 2.026 1.00 51.14 H new ATOM 0 HB2 MET A2079 11.167 -0.226 -0.110 1.00 31.34 H new ATOM 0 HB3 MET A2079 12.117 1.189 0.297 1.00 31.34 H new ATOM 0 HG2 MET A2079 11.260 0.131 2.796 1.00 12.23 H new ATOM 0 HG3 MET A2079 11.719 -1.266 1.843 1.00 12.23 H new ATOM 0 HE1 MET A2079 14.711 0.075 4.293 1.00 20.12 H new ATOM 0 HE2 MET A2079 13.004 0.539 4.491 1.00 20.12 H new ATOM 0 HE3 MET A2079 13.433 -1.156 4.160 1.00 20.12 H new ATOM 1089 N GLU A2080 10.076 2.712 -0.999 1.00 21.44 N ATOM 1090 CA GLU A2080 10.157 3.965 -1.731 1.00 31.42 C ATOM 1091 C GLU A2080 8.975 4.867 -1.371 1.00 1.52 C ATOM 1092 O GLU A2080 9.167 5.975 -0.870 1.00 31.24 O ATOM 1093 CB GLU A2080 10.217 3.715 -3.239 1.00 21.10 C ATOM 1094 CG GLU A2080 10.455 5.020 -4.002 1.00 34.34 C ATOM 1095 CD GLU A2080 11.132 4.753 -5.348 1.00 32.13 C ATOM 1096 OE1 GLU A2080 11.532 3.612 -5.626 1.00 70.41 O ATOM 1097 OE2 GLU A2080 11.236 5.781 -6.119 1.00 11.50 O ATOM 0 H GLU A2080 9.946 1.885 -1.582 1.00 21.44 H new ATOM 0 HA GLU A2080 11.077 4.473 -1.443 1.00 31.42 H new ATOM 0 HB2 GLU A2080 11.016 3.008 -3.463 1.00 21.10 H new ATOM 0 HB3 GLU A2080 9.285 3.259 -3.573 1.00 21.10 H new ATOM 0 HG2 GLU A2080 9.505 5.529 -4.164 1.00 34.34 H new ATOM 0 HG3 GLU A2080 11.077 5.687 -3.404 1.00 34.34 H new ATOM 1105 N ALA A2081 7.782 4.361 -1.640 1.00 13.32 N ATOM 1106 CA ALA A2081 6.571 5.109 -1.350 1.00 20.42 C ATOM 1107 C ALA A2081 6.596 5.569 0.108 1.00 24.22 C ATOM 1108 O ALA A2081 6.231 6.705 0.411 1.00 31.15 O ATOM 1109 CB ALA A2081 5.349 4.242 -1.667 1.00 12.42 C ATOM 0 H ALA A2081 7.627 3.442 -2.056 1.00 13.32 H new ATOM 0 HA ALA A2081 6.511 6.000 -1.975 1.00 20.42 H new ATOM 0 HB1 ALA A2081 4.439 4.802 -1.450 1.00 12.42 H new ATOM 0 HB2 ALA A2081 5.362 3.966 -2.721 1.00 12.42 H new ATOM 0 HB3 ALA A2081 5.374 3.340 -1.056 1.00 12.42 H new ATOM 1115 N GLN A2082 7.033 4.665 0.973 1.00 25.42 N ATOM 1116 CA GLN A2082 7.110 4.965 2.392 1.00 32.43 C ATOM 1117 C GLN A2082 8.027 6.166 2.631 1.00 42.42 C ATOM 1118 O GLN A2082 7.738 7.012 3.477 1.00 13.03 O ATOM 1119 CB GLN A2082 7.588 3.746 3.185 1.00 4.44 C ATOM 1120 CG GLN A2082 7.711 4.072 4.674 1.00 72.21 C ATOM 1121 CD GLN A2082 8.903 3.345 5.299 1.00 40.21 C ATOM 1122 OE1 GLN A2082 8.773 2.296 5.908 1.00 43.41 O ATOM 1123 NE2 GLN A2082 10.069 3.961 5.115 1.00 33.30 N ATOM 0 H GLN A2082 7.337 3.725 0.718 1.00 25.42 H new ATOM 0 HA GLN A2082 6.110 5.219 2.744 1.00 32.43 H new ATOM 0 HB2 GLN A2082 6.889 2.921 3.047 1.00 4.44 H new ATOM 0 HB3 GLN A2082 8.553 3.414 2.801 1.00 4.44 H new ATOM 0 HG2 GLN A2082 7.827 5.148 4.806 1.00 72.21 H new ATOM 0 HG3 GLN A2082 6.795 3.785 5.189 1.00 72.21 H new ATOM 0 HE21 GLN A2082 10.106 4.838 4.595 1.00 33.30 H new ATOM 0 HE22 GLN A2082 10.925 3.556 5.494 1.00 33.30 H new ATOM 1132 N GLU A2083 9.110 6.206 1.871 1.00 14.24 N ATOM 1133 CA GLU A2083 10.071 7.290 1.990 1.00 43.13 C ATOM 1134 C GLU A2083 9.428 8.614 1.571 1.00 40.14 C ATOM 1135 O GLU A2083 9.724 9.660 2.146 1.00 54.32 O ATOM 1136 CB GLU A2083 11.325 7.004 1.163 1.00 40.14 C ATOM 1137 CG GLU A2083 11.586 8.126 0.155 1.00 75.50 C ATOM 1138 CD GLU A2083 12.925 7.923 -0.558 1.00 72.31 C ATOM 1139 OE1 GLU A2083 13.982 8.233 0.009 1.00 65.11 O ATOM 1140 OE2 GLU A2083 12.838 7.422 -1.743 1.00 0.34 O ATOM 0 H GLU A2083 9.345 5.504 1.169 1.00 14.24 H new ATOM 0 HA GLU A2083 10.375 7.369 3.034 1.00 43.13 H new ATOM 0 HB2 GLU A2083 12.185 6.898 1.825 1.00 40.14 H new ATOM 0 HB3 GLU A2083 11.209 6.057 0.636 1.00 40.14 H new ATOM 0 HG2 GLU A2083 10.780 8.155 -0.578 1.00 75.50 H new ATOM 0 HG3 GLU A2083 11.585 9.088 0.668 1.00 75.50 H new ATOM 1148 N TRP A2084 8.560 8.526 0.573 1.00 72.44 N ATOM 1149 CA TRP A2084 7.874 9.705 0.072 1.00 33.01 C ATOM 1150 C TRP A2084 6.795 10.090 1.086 1.00 55.31 C ATOM 1151 O TRP A2084 6.379 11.245 1.147 1.00 63.14 O ATOM 1152 CB TRP A2084 7.315 9.458 -1.330 1.00 23.21 C ATOM 1153 CG TRP A2084 8.387 9.174 -2.385 1.00 63.04 C ATOM 1154 CD1 TRP A2084 8.760 7.988 -2.884 1.00 23.43 C ATOM 1155 CD2 TRP A2084 9.213 10.149 -3.056 1.00 52.40 C ATOM 1156 NE1 TRP A2084 9.760 8.126 -3.822 1.00 4.24 N ATOM 1157 CE2 TRP A2084 10.046 9.482 -3.931 1.00 74.43 C ATOM 1158 CE3 TRP A2084 9.254 11.548 -2.927 1.00 52.21 C ATOM 1159 CZ2 TRP A2084 10.981 10.133 -4.744 1.00 12.04 C ATOM 1160 CZ3 TRP A2084 10.196 12.183 -3.748 1.00 33.33 C ATOM 1161 CH2 TRP A2084 11.042 11.526 -4.633 1.00 51.23 C ATOM 0 H TRP A2084 8.316 7.657 0.098 1.00 72.44 H new ATOM 0 HA TRP A2084 8.567 10.540 -0.033 1.00 33.01 H new ATOM 0 HB2 TRP A2084 6.625 8.615 -1.292 1.00 23.21 H new ATOM 0 HB3 TRP A2084 6.737 10.329 -1.639 1.00 23.21 H new ATOM 0 HD1 TRP A2084 8.331 7.042 -2.588 1.00 23.43 H new ATOM 0 HE1 TRP A2084 10.208 7.371 -4.341 1.00 4.24 H new ATOM 0 HE3 TRP A2084 8.611 12.090 -2.249 1.00 52.21 H new ATOM 0 HZ2 TRP A2084 11.622 9.588 -5.422 1.00 12.04 H new ATOM 0 HZ3 TRP A2084 10.269 13.259 -3.689 1.00 33.33 H new ATOM 0 HH2 TRP A2084 11.743 12.088 -5.232 1.00 51.23 H new ATOM 1172 N CYS A2085 6.371 9.099 1.858 1.00 74.22 N ATOM 1173 CA CYS A2085 5.349 9.320 2.866 1.00 53.35 C ATOM 1174 C CYS A2085 5.951 10.177 3.983 1.00 5.43 C ATOM 1175 O CYS A2085 5.455 11.265 4.272 1.00 13.43 O ATOM 1176 CB CYS A2085 4.784 8.002 3.400 1.00 14.40 C ATOM 1177 SG CYS A2085 4.009 8.269 5.035 1.00 42.15 S ATOM 0 H CYS A2085 6.717 8.141 1.805 1.00 74.22 H new ATOM 0 HA CYS A2085 4.505 9.846 2.420 1.00 53.35 H new ATOM 0 HB2 CYS A2085 4.049 7.602 2.701 1.00 14.40 H new ATOM 0 HB3 CYS A2085 5.580 7.262 3.483 1.00 14.40 H new ATOM 0 HG CYS A2085 2.776 8.648 4.874 1.00 42.15 H new ATOM 1183 N ARG A2086 7.012 9.653 4.579 1.00 43.51 N ATOM 1184 CA ARG A2086 7.688 10.355 5.656 1.00 53.12 C ATOM 1185 C ARG A2086 8.309 11.654 5.136 1.00 72.41 C ATOM 1186 O ARG A2086 8.467 12.615 5.888 1.00 52.02 O ATOM 1187 CB ARG A2086 8.783 9.488 6.279 1.00 42.53 C ATOM 1188 CG ARG A2086 9.993 9.381 5.347 1.00 42.05 C ATOM 1189 CD ARG A2086 10.520 7.946 5.296 1.00 41.41 C ATOM 1190 NE ARG A2086 10.913 7.502 6.652 1.00 54.32 N ATOM 1191 CZ ARG A2086 10.138 6.744 7.455 1.00 22.22 C ATOM 1192 NH1 ARG A2086 8.919 6.333 7.041 1.00 70.34 N ATOM 1193 NH2 ARG A2086 10.589 6.405 8.647 1.00 32.41 N ATOM 0 H ARG A2086 7.420 8.750 4.336 1.00 43.51 H new ATOM 0 HA ARG A2086 6.944 10.584 6.419 1.00 53.12 H new ATOM 0 HB2 ARG A2086 9.091 9.915 7.234 1.00 42.53 H new ATOM 0 HB3 ARG A2086 8.390 8.493 6.487 1.00 42.53 H new ATOM 0 HG2 ARG A2086 9.714 9.706 4.345 1.00 42.05 H new ATOM 0 HG3 ARG A2086 10.782 10.050 5.691 1.00 42.05 H new ATOM 0 HD2 ARG A2086 9.754 7.283 4.895 1.00 41.41 H new ATOM 0 HD3 ARG A2086 11.376 7.888 4.623 1.00 41.41 H new ATOM 0 HE ARG A2086 11.828 7.787 7.002 1.00 54.32 H new ATOM 0 HH11 ARG A2086 8.579 6.596 6.116 1.00 70.34 H new ATOM 0 HH12 ARG A2086 8.339 5.760 7.654 1.00 70.34 H new ATOM 0 HH21 ARG A2086 11.512 6.716 8.950 1.00 32.41 H new ATOM 0 HH22 ARG A2086 10.015 5.832 9.266 1.00 32.41 H new ATOM 1205 N LYS A2087 8.642 11.642 3.854 1.00 21.32 N ATOM 1206 CA LYS A2087 9.241 12.806 3.226 1.00 11.03 C ATOM 1207 C LYS A2087 8.191 13.910 3.098 1.00 71.51 C ATOM 1208 O LYS A2087 8.507 15.092 3.225 1.00 2.43 O ATOM 1209 CB LYS A2087 9.891 12.422 1.894 1.00 13.05 C ATOM 1210 CG LYS A2087 10.405 13.659 1.158 1.00 4.00 C ATOM 1211 CD LYS A2087 9.452 14.060 0.029 1.00 12.32 C ATOM 1212 CE LYS A2087 10.200 14.206 -1.297 1.00 3.43 C ATOM 1213 NZ LYS A2087 11.058 15.412 -1.278 1.00 41.11 N ATOM 0 H LYS A2087 8.508 10.844 3.233 1.00 21.32 H new ATOM 0 HA LYS A2087 10.045 13.200 3.847 1.00 11.03 H new ATOM 0 HB2 LYS A2087 10.716 11.732 2.073 1.00 13.05 H new ATOM 0 HB3 LYS A2087 9.167 11.898 1.270 1.00 13.05 H new ATOM 0 HG2 LYS A2087 10.512 14.486 1.860 1.00 4.00 H new ATOM 0 HG3 LYS A2087 11.395 13.458 0.749 1.00 4.00 H new ATOM 0 HD2 LYS A2087 8.668 13.310 -0.073 1.00 12.32 H new ATOM 0 HD3 LYS A2087 8.962 15.001 0.279 1.00 12.32 H new ATOM 0 HE2 LYS A2087 10.810 13.321 -1.476 1.00 3.43 H new ATOM 0 HE3 LYS A2087 9.487 14.273 -2.118 1.00 3.43 H new ATOM 0 HZ1 LYS A2087 11.559 15.496 -2.186 1.00 41.11 H new ATOM 0 HZ2 LYS A2087 10.468 16.255 -1.128 1.00 41.11 H new ATOM 0 HZ3 LYS A2087 11.751 15.333 -0.506 1.00 41.11 H new ATOM 1226 N TYR A2088 6.959 13.485 2.852 1.00 45.35 N ATOM 1227 CA TYR A2088 5.859 14.425 2.707 1.00 10.42 C ATOM 1228 C TYR A2088 5.436 14.987 4.065 1.00 50.13 C ATOM 1229 O TYR A2088 5.339 16.201 4.235 1.00 51.43 O ATOM 1230 CB TYR A2088 4.697 13.623 2.116 1.00 60.04 C ATOM 1231 CG TYR A2088 3.325 14.261 2.342 1.00 60.10 C ATOM 1232 CD1 TYR A2088 2.885 15.266 1.506 1.00 73.33 C ATOM 1233 CD2 TYR A2088 2.526 13.828 3.383 1.00 43.35 C ATOM 1234 CE1 TYR A2088 1.591 15.865 1.720 1.00 14.32 C ATOM 1235 CE2 TYR A2088 1.234 14.427 3.594 1.00 10.05 C ATOM 1236 CZ TYR A2088 0.831 15.416 2.753 1.00 11.03 C ATOM 1237 OH TYR A2088 -0.390 15.982 2.954 1.00 51.11 O ATOM 0 H TYR A2088 6.699 12.504 2.750 1.00 45.35 H new ATOM 0 HA TYR A2088 6.151 15.265 2.077 1.00 10.42 H new ATOM 0 HB2 TYR A2088 4.859 13.503 1.045 1.00 60.04 H new ATOM 0 HB3 TYR A2088 4.699 12.624 2.552 1.00 60.04 H new ATOM 0 HD1 TYR A2088 3.509 15.604 0.692 1.00 73.33 H new ATOM 0 HD2 TYR A2088 2.870 13.041 4.038 1.00 43.35 H new ATOM 0 HE1 TYR A2088 1.234 16.653 1.074 1.00 14.32 H new ATOM 0 HE2 TYR A2088 0.599 14.098 4.403 1.00 10.05 H new ATOM 0 HH TYR A2088 -0.822 15.562 3.727 1.00 51.11 H new ATOM 1247 N MET A2089 5.196 14.078 4.999 1.00 52.32 N ATOM 1248 CA MET A2089 4.786 14.468 6.337 1.00 51.41 C ATOM 1249 C MET A2089 5.845 15.356 6.997 1.00 42.12 C ATOM 1250 O MET A2089 5.510 16.262 7.759 1.00 63.42 O ATOM 1251 CB MET A2089 4.568 13.216 7.189 1.00 73.55 C ATOM 1252 CG MET A2089 3.325 12.452 6.731 1.00 61.11 C ATOM 1253 SD MET A2089 2.618 11.556 8.104 1.00 64.21 S ATOM 1254 CE MET A2089 0.892 11.943 7.872 1.00 3.00 C ATOM 0 H MET A2089 5.278 13.072 4.855 1.00 52.32 H new ATOM 0 HA MET A2089 3.858 15.034 6.262 1.00 51.41 H new ATOM 0 HB2 MET A2089 5.443 12.569 7.122 1.00 73.55 H new ATOM 0 HB3 MET A2089 4.460 13.498 8.236 1.00 73.55 H new ATOM 0 HG2 MET A2089 2.591 13.147 6.323 1.00 61.11 H new ATOM 0 HG3 MET A2089 3.588 11.760 5.931 1.00 61.11 H new ATOM 0 HE1 MET A2089 0.567 12.637 8.647 1.00 3.00 H new ATOM 0 HE2 MET A2089 0.750 12.400 6.893 1.00 3.00 H new ATOM 0 HE3 MET A2089 0.302 11.028 7.934 1.00 3.00 H new ATOM 1264 N LYS A2090 7.097 15.068 6.678 1.00 61.05 N ATOM 1265 CA LYS A2090 8.204 15.829 7.231 1.00 4.44 C ATOM 1266 C LYS A2090 8.178 17.247 6.656 1.00 71.12 C ATOM 1267 O LYS A2090 8.083 18.221 7.401 1.00 54.21 O ATOM 1268 CB LYS A2090 9.526 15.095 6.999 1.00 44.21 C ATOM 1269 CG LYS A2090 10.718 15.979 7.379 1.00 45.12 C ATOM 1270 CD LYS A2090 10.454 16.719 8.691 1.00 11.21 C ATOM 1271 CE LYS A2090 10.415 15.746 9.871 1.00 10.33 C ATOM 1272 NZ LYS A2090 11.601 15.935 10.737 1.00 35.24 N ATOM 0 H LYS A2090 7.370 14.318 6.043 1.00 61.05 H new ATOM 0 HA LYS A2090 8.103 15.921 8.312 1.00 4.44 H new ATOM 0 HB2 LYS A2090 9.546 14.178 7.589 1.00 44.21 H new ATOM 0 HB3 LYS A2090 9.605 14.802 5.952 1.00 44.21 H new ATOM 0 HG2 LYS A2090 11.614 15.366 7.477 1.00 45.12 H new ATOM 0 HG3 LYS A2090 10.910 16.699 6.583 1.00 45.12 H new ATOM 0 HD2 LYS A2090 11.232 17.464 8.855 1.00 11.21 H new ATOM 0 HD3 LYS A2090 9.507 17.255 8.626 1.00 11.21 H new ATOM 0 HE2 LYS A2090 9.505 15.904 10.450 1.00 10.33 H new ATOM 0 HE3 LYS A2090 10.385 14.720 9.504 1.00 10.33 H new ATOM 0 HZ1 LYS A2090 11.559 15.267 11.533 1.00 35.24 H new ATOM 0 HZ2 LYS A2090 12.465 15.762 10.185 1.00 35.24 H new ATOM 0 HZ3 LYS A2090 11.613 16.909 11.102 1.00 35.24 H new ATOM 1285 N SER A2091 8.265 17.319 5.336 1.00 35.34 N ATOM 1286 CA SER A2091 8.253 18.600 4.654 1.00 63.13 C ATOM 1287 C SER A2091 8.372 18.391 3.142 1.00 50.32 C ATOM 1288 O SER A2091 9.407 18.695 2.550 1.00 21.43 O ATOM 1289 CB SER A2091 9.383 19.503 5.156 1.00 22.21 C ATOM 1290 OG SER A2091 8.936 20.406 6.163 1.00 1.35 O ATOM 0 H SER A2091 8.344 16.509 4.721 1.00 35.34 H new ATOM 0 HA SER A2091 7.306 19.094 4.872 1.00 63.13 H new ATOM 0 HB2 SER A2091 10.190 18.887 5.553 1.00 22.21 H new ATOM 0 HB3 SER A2091 9.795 20.068 4.320 1.00 22.21 H new ATOM 0 HG SER A2091 8.507 19.903 6.886 1.00 1.35 H new ATOM 1296 N GLY A2092 7.299 17.873 2.563 1.00 33.22 N ATOM 1297 CA GLY A2092 7.272 17.618 1.133 1.00 50.53 C ATOM 1298 C GLY A2092 6.173 18.436 0.452 1.00 52.04 C ATOM 1299 O GLY A2092 5.827 19.525 0.911 1.00 20.41 O ATOM 0 H GLY A2092 6.443 17.623 3.058 1.00 33.22 H new ATOM 0 HA2 GLY A2092 8.239 17.867 0.697 1.00 50.53 H new ATOM 0 HA3 GLY A2092 7.105 16.556 0.952 1.00 50.53 H new ATOM 1303 N ASN A2093 5.653 17.882 -0.633 1.00 63.32 N ATOM 1304 CA ASN A2093 4.599 18.547 -1.382 1.00 31.42 C ATOM 1305 C ASN A2093 3.673 17.495 -1.996 1.00 32.05 C ATOM 1306 O ASN A2093 4.058 16.337 -2.148 1.00 43.52 O ATOM 1307 CB ASN A2093 5.180 19.386 -2.522 1.00 62.32 C ATOM 1308 CG ASN A2093 4.717 20.843 -2.421 1.00 12.11 C ATOM 1309 OD1 ASN A2093 4.348 21.331 -1.365 1.00 3.10 O ATOM 1310 ND2 ASN A2093 4.757 21.503 -3.574 1.00 63.14 N ATOM 0 H ASN A2093 5.941 16.980 -1.012 1.00 63.32 H new ATOM 0 HA ASN A2093 4.056 19.196 -0.695 1.00 31.42 H new ATOM 0 HB2 ASN A2093 6.269 19.343 -2.492 1.00 62.32 H new ATOM 0 HB3 ASN A2093 4.871 18.968 -3.480 1.00 62.32 H new ATOM 0 HD21 ASN A2093 4.468 22.480 -3.612 1.00 63.14 H new ATOM 0 HD22 ASN A2093 5.077 21.032 -4.420 1.00 63.14 H new ATOM 1317 N VAL A2094 2.469 17.935 -2.330 1.00 74.25 N ATOM 1318 CA VAL A2094 1.484 17.045 -2.922 1.00 34.00 C ATOM 1319 C VAL A2094 2.150 16.219 -4.024 1.00 42.15 C ATOM 1320 O VAL A2094 1.897 15.020 -4.145 1.00 75.34 O ATOM 1321 CB VAL A2094 0.284 17.852 -3.421 1.00 14.20 C ATOM 1322 CG1 VAL A2094 0.423 18.182 -4.907 1.00 23.40 C ATOM 1323 CG2 VAL A2094 -1.027 17.112 -3.143 1.00 14.44 C ATOM 0 H VAL A2094 2.153 18.896 -2.202 1.00 74.25 H new ATOM 0 HA VAL A2094 1.101 16.347 -2.178 1.00 34.00 H new ATOM 0 HB VAL A2094 0.262 18.793 -2.871 1.00 14.20 H new ATOM 0 HG11 VAL A2094 -0.444 18.756 -5.235 1.00 23.40 H new ATOM 0 HG12 VAL A2094 1.328 18.768 -5.066 1.00 23.40 H new ATOM 0 HG13 VAL A2094 0.484 17.257 -5.481 1.00 23.40 H new ATOM 0 HG21 VAL A2094 -1.865 17.707 -3.507 1.00 14.44 H new ATOM 0 HG22 VAL A2094 -1.017 16.149 -3.653 1.00 14.44 H new ATOM 0 HG23 VAL A2094 -1.134 16.953 -2.070 1.00 14.44 H new ATOM 1333 N LYS A2095 2.984 16.891 -4.802 1.00 51.54 N ATOM 1334 CA LYS A2095 3.687 16.236 -5.891 1.00 21.02 C ATOM 1335 C LYS A2095 4.354 14.961 -5.368 1.00 21.53 C ATOM 1336 O LYS A2095 4.209 13.893 -5.959 1.00 12.13 O ATOM 1337 CB LYS A2095 4.659 17.205 -6.564 1.00 12.10 C ATOM 1338 CG LYS A2095 4.758 16.929 -8.067 1.00 53.32 C ATOM 1339 CD LYS A2095 6.219 16.887 -8.522 1.00 31.10 C ATOM 1340 CE LYS A2095 6.769 15.462 -8.462 1.00 11.15 C ATOM 1341 NZ LYS A2095 8.249 15.475 -8.512 1.00 45.30 N ATOM 0 H LYS A2095 3.189 17.885 -4.700 1.00 51.54 H new ATOM 0 HA LYS A2095 2.985 15.935 -6.669 1.00 21.02 H new ATOM 0 HB2 LYS A2095 4.327 18.230 -6.400 1.00 12.10 H new ATOM 0 HB3 LYS A2095 5.645 17.112 -6.108 1.00 12.10 H new ATOM 0 HG2 LYS A2095 4.274 15.980 -8.299 1.00 53.32 H new ATOM 0 HG3 LYS A2095 4.224 17.703 -8.618 1.00 53.32 H new ATOM 0 HD2 LYS A2095 6.298 17.269 -9.540 1.00 31.10 H new ATOM 0 HD3 LYS A2095 6.820 17.540 -7.889 1.00 31.10 H new ATOM 0 HE2 LYS A2095 6.434 14.975 -7.546 1.00 11.15 H new ATOM 0 HE3 LYS A2095 6.376 14.879 -9.295 1.00 11.15 H new ATOM 0 HZ1 LYS A2095 8.606 14.499 -8.470 1.00 45.30 H new ATOM 0 HZ2 LYS A2095 8.563 15.921 -9.398 1.00 45.30 H new ATOM 0 HZ3 LYS A2095 8.619 16.014 -7.703 1.00 45.30 H new ATOM 1354 N ASP A2096 5.070 15.117 -4.263 1.00 41.15 N ATOM 1355 CA ASP A2096 5.760 13.993 -3.653 1.00 25.41 C ATOM 1356 C ASP A2096 4.729 12.974 -3.161 1.00 51.42 C ATOM 1357 O ASP A2096 4.908 11.770 -3.336 1.00 54.52 O ATOM 1358 CB ASP A2096 6.590 14.444 -2.450 1.00 21.21 C ATOM 1359 CG ASP A2096 5.957 14.165 -1.086 1.00 40.12 C ATOM 1360 OD1 ASP A2096 5.230 15.008 -0.536 1.00 64.31 O ATOM 1361 OD2 ASP A2096 6.237 13.014 -0.577 1.00 65.10 O ATOM 0 H ASP A2096 5.187 16.005 -3.775 1.00 41.15 H new ATOM 0 HA ASP A2096 6.419 13.555 -4.402 1.00 25.41 H new ATOM 0 HB2 ASP A2096 7.560 13.949 -2.491 1.00 21.21 H new ATOM 0 HB3 ASP A2096 6.774 15.515 -2.536 1.00 21.21 H new ATOM 1367 N LEU A2097 3.671 13.495 -2.556 1.00 23.22 N ATOM 1368 CA LEU A2097 2.611 12.647 -2.038 1.00 4.45 C ATOM 1369 C LEU A2097 2.028 11.812 -3.181 1.00 61.23 C ATOM 1370 O LEU A2097 1.811 10.610 -3.027 1.00 44.35 O ATOM 1371 CB LEU A2097 1.569 13.484 -1.295 1.00 10.50 C ATOM 1372 CG LEU A2097 0.162 12.890 -1.218 1.00 62.12 C ATOM 1373 CD1 LEU A2097 0.216 11.368 -1.059 1.00 52.53 C ATOM 1374 CD2 LEU A2097 -0.654 13.554 -0.105 1.00 4.22 C ATOM 0 H LEU A2097 3.525 14.494 -2.413 1.00 23.22 H new ATOM 0 HA LEU A2097 3.008 11.948 -1.302 1.00 4.45 H new ATOM 0 HB2 LEU A2097 1.926 13.654 -0.279 1.00 10.50 H new ATOM 0 HB3 LEU A2097 1.504 14.459 -1.778 1.00 10.50 H new ATOM 0 HG LEU A2097 -0.348 13.097 -2.159 1.00 62.12 H new ATOM 0 HD11 LEU A2097 -0.798 10.971 -1.007 1.00 52.53 H new ATOM 0 HD12 LEU A2097 0.733 10.931 -1.913 1.00 52.53 H new ATOM 0 HD13 LEU A2097 0.751 11.117 -0.143 1.00 52.53 H new ATOM 0 HD21 LEU A2097 -1.650 13.113 -0.072 1.00 4.22 H new ATOM 0 HD22 LEU A2097 -0.157 13.399 0.853 1.00 4.22 H new ATOM 0 HD23 LEU A2097 -0.737 14.623 -0.302 1.00 4.22 H new ATOM 1386 N THR A2098 1.790 12.481 -4.299 1.00 55.21 N ATOM 1387 CA THR A2098 1.236 11.816 -5.466 1.00 72.21 C ATOM 1388 C THR A2098 2.160 10.687 -5.925 1.00 72.11 C ATOM 1389 O THR A2098 1.704 9.576 -6.192 1.00 40.21 O ATOM 1390 CB THR A2098 0.991 12.875 -6.543 1.00 20.13 C ATOM 1391 OG1 THR A2098 -0.086 13.652 -6.026 1.00 2.03 O ATOM 1392 CG2 THR A2098 0.433 12.278 -7.837 1.00 54.24 C ATOM 0 H THR A2098 1.971 13.477 -4.422 1.00 55.21 H new ATOM 0 HA THR A2098 0.283 11.341 -5.234 1.00 72.21 H new ATOM 0 HB THR A2098 1.924 13.397 -6.758 1.00 20.13 H new ATOM 0 HG1 THR A2098 0.253 14.266 -5.341 1.00 2.03 H new ATOM 0 HG21 THR A2098 0.278 13.072 -8.567 1.00 54.24 H new ATOM 0 HG22 THR A2098 1.140 11.551 -8.237 1.00 54.24 H new ATOM 0 HG23 THR A2098 -0.517 11.785 -7.630 1.00 54.24 H new ATOM 1400 N GLN A2099 3.442 11.009 -6.002 1.00 2.21 N ATOM 1401 CA GLN A2099 4.436 10.035 -6.425 1.00 11.03 C ATOM 1402 C GLN A2099 4.357 8.783 -5.547 1.00 43.34 C ATOM 1403 O GLN A2099 4.293 7.666 -6.060 1.00 61.32 O ATOM 1404 CB GLN A2099 5.841 10.638 -6.396 1.00 2.05 C ATOM 1405 CG GLN A2099 6.523 10.507 -7.759 1.00 23.35 C ATOM 1406 CD GLN A2099 7.786 9.650 -7.661 1.00 4.24 C ATOM 1407 OE1 GLN A2099 8.876 10.133 -7.403 1.00 10.23 O ATOM 1408 NE2 GLN A2099 7.580 8.354 -7.882 1.00 44.11 N ATOM 0 H GLN A2099 3.817 11.931 -5.779 1.00 2.21 H new ATOM 0 HA GLN A2099 4.222 9.748 -7.454 1.00 11.03 H new ATOM 0 HB2 GLN A2099 5.783 11.689 -6.114 1.00 2.05 H new ATOM 0 HB3 GLN A2099 6.440 10.136 -5.636 1.00 2.05 H new ATOM 0 HG2 GLN A2099 5.832 10.061 -8.474 1.00 23.35 H new ATOM 0 HG3 GLN A2099 6.779 11.496 -8.138 1.00 23.35 H new ATOM 0 HE21 GLN A2099 6.641 8.016 -8.093 1.00 44.11 H new ATOM 0 HE22 GLN A2099 8.361 7.699 -7.840 1.00 44.11 H new ATOM 1417 N ALA A2100 4.365 9.012 -4.243 1.00 64.02 N ATOM 1418 CA ALA A2100 4.295 7.917 -3.291 1.00 31.25 C ATOM 1419 C ALA A2100 3.039 7.087 -3.565 1.00 51.35 C ATOM 1420 O ALA A2100 3.079 5.859 -3.520 1.00 31.41 O ATOM 1421 CB ALA A2100 4.326 8.475 -1.867 1.00 64.33 C ATOM 0 H ALA A2100 4.419 9.940 -3.823 1.00 64.02 H new ATOM 0 HA ALA A2100 5.156 7.258 -3.401 1.00 31.25 H new ATOM 0 HB1 ALA A2100 4.273 7.653 -1.153 1.00 64.33 H new ATOM 0 HB2 ALA A2100 5.251 9.030 -1.714 1.00 64.33 H new ATOM 0 HB3 ALA A2100 3.475 9.140 -1.718 1.00 64.33 H new ATOM 1427 N TRP A2101 1.954 7.792 -3.845 1.00 55.23 N ATOM 1428 CA TRP A2101 0.686 7.137 -4.126 1.00 1.44 C ATOM 1429 C TRP A2101 0.845 6.343 -5.424 1.00 71.12 C ATOM 1430 O TRP A2101 0.249 5.277 -5.581 1.00 54.44 O ATOM 1431 CB TRP A2101 -0.456 8.152 -4.182 1.00 52.12 C ATOM 1432 CG TRP A2101 -1.602 7.854 -3.212 1.00 41.23 C ATOM 1433 CD1 TRP A2101 -1.990 8.571 -2.149 1.00 41.30 C ATOM 1434 CD2 TRP A2101 -2.497 6.723 -3.262 1.00 14.33 C ATOM 1435 NE1 TRP A2101 -3.065 7.987 -1.511 1.00 24.33 N ATOM 1436 CE2 TRP A2101 -3.384 6.828 -2.209 1.00 11.05 C ATOM 1437 CE3 TRP A2101 -2.555 5.647 -4.164 1.00 42.30 C ATOM 1438 CZ2 TRP A2101 -4.393 5.889 -1.962 1.00 54.12 C ATOM 1439 CZ3 TRP A2101 -3.569 4.719 -3.903 1.00 24.31 C ATOM 1440 CH2 TRP A2101 -4.470 4.809 -2.848 1.00 11.43 C ATOM 0 H TRP A2101 1.925 8.811 -3.884 1.00 55.23 H new ATOM 0 HA TRP A2101 0.421 6.447 -3.324 1.00 1.44 H new ATOM 0 HB2 TRP A2101 -0.058 9.143 -3.965 1.00 52.12 H new ATOM 0 HB3 TRP A2101 -0.852 8.183 -5.197 1.00 52.12 H new ATOM 0 HD1 TRP A2101 -1.521 9.490 -1.831 1.00 41.30 H new ATOM 0 HE1 TRP A2101 -3.539 8.341 -0.680 1.00 24.33 H new ATOM 0 HE3 TRP A2101 -1.871 5.544 -4.993 1.00 42.30 H new ATOM 0 HZ2 TRP A2101 -5.076 5.993 -1.132 1.00 54.12 H new ATOM 0 HZ3 TRP A2101 -3.658 3.873 -4.568 1.00 24.31 H new ATOM 0 HH2 TRP A2101 -5.225 4.049 -2.713 1.00 11.43 H new ATOM 1451 N ASP A2102 1.649 6.891 -6.322 1.00 22.43 N ATOM 1452 CA ASP A2102 1.893 6.246 -7.602 1.00 53.55 C ATOM 1453 C ASP A2102 2.493 4.860 -7.362 1.00 5.13 C ATOM 1454 O ASP A2102 2.017 3.869 -7.915 1.00 42.14 O ATOM 1455 CB ASP A2102 2.884 7.051 -8.445 1.00 14.24 C ATOM 1456 CG ASP A2102 2.385 7.436 -9.839 1.00 64.25 C ATOM 1457 OD1 ASP A2102 1.902 8.557 -10.058 1.00 2.43 O ATOM 1458 OD2 ASP A2102 2.505 6.515 -10.734 1.00 42.15 O ATOM 0 H ASP A2102 2.141 7.775 -6.189 1.00 22.43 H new ATOM 0 HA ASP A2102 0.943 6.177 -8.132 1.00 53.55 H new ATOM 0 HB2 ASP A2102 3.142 7.961 -7.904 1.00 14.24 H new ATOM 0 HB3 ASP A2102 3.801 6.472 -8.551 1.00 14.24 H new ATOM 1464 N LEU A2103 3.531 4.833 -6.539 1.00 54.20 N ATOM 1465 CA LEU A2103 4.202 3.584 -6.222 1.00 32.52 C ATOM 1466 C LEU A2103 3.200 2.620 -5.584 1.00 53.00 C ATOM 1467 O LEU A2103 3.102 1.463 -5.992 1.00 74.51 O ATOM 1468 CB LEU A2103 5.439 3.844 -5.359 1.00 32.14 C ATOM 1469 CG LEU A2103 6.659 4.414 -6.089 1.00 74.15 C ATOM 1470 CD1 LEU A2103 6.493 5.912 -6.345 1.00 44.42 C ATOM 1471 CD2 LEU A2103 7.948 4.101 -5.327 1.00 33.11 C ATOM 0 H LEU A2103 3.924 5.656 -6.082 1.00 54.20 H new ATOM 0 HA LEU A2103 4.570 3.108 -7.131 1.00 32.52 H new ATOM 0 HB2 LEU A2103 5.163 4.534 -4.561 1.00 32.14 H new ATOM 0 HB3 LEU A2103 5.730 2.907 -4.884 1.00 32.14 H new ATOM 0 HG LEU A2103 6.734 3.928 -7.062 1.00 74.15 H new ATOM 0 HD11 LEU A2103 7.373 6.292 -6.864 1.00 44.42 H new ATOM 0 HD12 LEU A2103 5.608 6.080 -6.959 1.00 44.42 H new ATOM 0 HD13 LEU A2103 6.380 6.433 -5.394 1.00 44.42 H new ATOM 0 HD21 LEU A2103 8.799 4.516 -5.866 1.00 33.11 H new ATOM 0 HD22 LEU A2103 7.898 4.542 -4.332 1.00 33.11 H new ATOM 0 HD23 LEU A2103 8.066 3.021 -5.240 1.00 33.11 H new ATOM 1483 N TYR A2104 2.482 3.131 -4.595 1.00 62.32 N ATOM 1484 CA TYR A2104 1.492 2.330 -3.897 1.00 65.12 C ATOM 1485 C TYR A2104 0.424 1.812 -4.865 1.00 40.11 C ATOM 1486 O TYR A2104 0.124 0.620 -4.881 1.00 24.41 O ATOM 1487 CB TYR A2104 0.830 3.266 -2.883 1.00 11.30 C ATOM 1488 CG TYR A2104 1.704 3.584 -1.669 1.00 15.35 C ATOM 1489 CD1 TYR A2104 2.476 2.593 -1.096 1.00 13.15 C ATOM 1490 CD2 TYR A2104 1.721 4.862 -1.145 1.00 22.43 C ATOM 1491 CE1 TYR A2104 3.299 2.892 0.048 1.00 62.13 C ATOM 1492 CE2 TYR A2104 2.543 5.158 -0.001 1.00 43.42 C ATOM 1493 CZ TYR A2104 3.291 4.160 0.538 1.00 54.20 C ATOM 1494 OH TYR A2104 4.069 4.443 1.619 1.00 2.21 O ATOM 0 H TYR A2104 2.567 4.091 -4.260 1.00 62.32 H new ATOM 0 HA TYR A2104 1.961 1.466 -3.426 1.00 65.12 H new ATOM 0 HB2 TYR A2104 0.566 4.198 -3.382 1.00 11.30 H new ATOM 0 HB3 TYR A2104 -0.101 2.814 -2.540 1.00 11.30 H new ATOM 0 HD1 TYR A2104 2.463 1.594 -1.505 1.00 13.15 H new ATOM 0 HD2 TYR A2104 1.118 5.638 -1.593 1.00 22.43 H new ATOM 0 HE1 TYR A2104 3.908 2.127 0.506 1.00 62.13 H new ATOM 0 HE2 TYR A2104 2.565 6.152 0.420 1.00 43.42 H new ATOM 0 HH TYR A2104 3.964 5.387 1.859 1.00 2.21 H new ATOM 1504 N TYR A2105 -0.116 2.733 -5.648 1.00 64.32 N ATOM 1505 CA TYR A2105 -1.142 2.385 -6.615 1.00 63.21 C ATOM 1506 C TYR A2105 -0.725 1.167 -7.441 1.00 24.02 C ATOM 1507 O TYR A2105 -1.502 0.227 -7.605 1.00 33.31 O ATOM 1508 CB TYR A2105 -1.275 3.593 -7.544 1.00 14.43 C ATOM 1509 CG TYR A2105 -2.530 3.573 -8.418 1.00 34.41 C ATOM 1510 CD1 TYR A2105 -3.380 2.486 -8.380 1.00 11.22 C ATOM 1511 CD2 TYR A2105 -2.814 4.641 -9.244 1.00 41.12 C ATOM 1512 CE1 TYR A2105 -4.561 2.465 -9.203 1.00 13.13 C ATOM 1513 CE2 TYR A2105 -3.995 4.621 -10.067 1.00 13.00 C ATOM 1514 CZ TYR A2105 -4.811 3.535 -10.005 1.00 3.44 C ATOM 1515 OH TYR A2105 -5.928 3.516 -10.782 1.00 3.21 O ATOM 0 H TYR A2105 0.138 3.721 -5.633 1.00 64.32 H new ATOM 0 HA TYR A2105 -2.077 2.141 -6.111 1.00 63.21 H new ATOM 0 HB2 TYR A2105 -1.279 4.502 -6.942 1.00 14.43 H new ATOM 0 HB3 TYR A2105 -0.397 3.641 -8.188 1.00 14.43 H new ATOM 0 HD1 TYR A2105 -3.159 1.651 -7.732 1.00 11.22 H new ATOM 0 HD2 TYR A2105 -2.150 5.492 -9.273 1.00 41.12 H new ATOM 0 HE1 TYR A2105 -5.233 1.620 -9.184 1.00 13.13 H new ATOM 0 HE2 TYR A2105 -4.228 5.450 -10.719 1.00 13.00 H new ATOM 0 HH TYR A2105 -5.979 4.345 -11.302 1.00 3.21 H new ATOM 1525 N HIS A2106 0.502 1.220 -7.941 1.00 75.20 N ATOM 1526 CA HIS A2106 1.032 0.132 -8.746 1.00 73.44 C ATOM 1527 C HIS A2106 1.090 -1.146 -7.906 1.00 30.31 C ATOM 1528 O HIS A2106 0.775 -2.228 -8.395 1.00 11.23 O ATOM 1529 CB HIS A2106 2.387 0.511 -9.345 1.00 20.03 C ATOM 1530 CG HIS A2106 2.315 1.602 -10.386 1.00 45.02 C ATOM 1531 ND1 HIS A2106 1.427 2.660 -10.304 1.00 53.42 N ATOM 1532 CD2 HIS A2106 3.028 1.786 -11.534 1.00 44.43 C ATOM 1533 CE1 HIS A2106 1.606 3.441 -11.358 1.00 12.24 C ATOM 1534 NE2 HIS A2106 2.599 2.897 -12.120 1.00 3.21 N ATOM 0 H HIS A2106 1.144 2.000 -7.804 1.00 75.20 H new ATOM 0 HA HIS A2106 0.369 -0.059 -9.589 1.00 73.44 H new ATOM 0 HB2 HIS A2106 3.050 0.832 -8.542 1.00 20.03 H new ATOM 0 HB3 HIS A2106 2.835 -0.376 -9.793 1.00 20.03 H new ATOM 0 HD2 HIS A2106 3.809 1.138 -11.903 1.00 44.43 H new ATOM 0 HE1 HIS A2106 1.062 4.348 -11.576 1.00 12.24 H new ATOM 0 HE2 HIS A2106 2.953 3.281 -12.996 1.00 3.21 H new ATOM 1543 N VAL A2107 1.496 -0.976 -6.655 1.00 51.25 N ATOM 1544 CA VAL A2107 1.601 -2.102 -5.743 1.00 51.14 C ATOM 1545 C VAL A2107 0.214 -2.718 -5.540 1.00 64.11 C ATOM 1546 O VAL A2107 0.018 -3.908 -5.780 1.00 32.30 O ATOM 1547 CB VAL A2107 2.254 -1.656 -4.434 1.00 3.31 C ATOM 1548 CG1 VAL A2107 1.836 -2.564 -3.275 1.00 5.44 C ATOM 1549 CG2 VAL A2107 3.777 -1.608 -4.572 1.00 20.21 C ATOM 0 H VAL A2107 1.756 -0.075 -6.253 1.00 51.25 H new ATOM 0 HA VAL A2107 2.243 -2.876 -6.163 1.00 51.14 H new ATOM 0 HB VAL A2107 1.905 -0.648 -4.211 1.00 3.31 H new ATOM 0 HG11 VAL A2107 2.314 -2.225 -2.356 1.00 5.44 H new ATOM 0 HG12 VAL A2107 0.753 -2.526 -3.156 1.00 5.44 H new ATOM 0 HG13 VAL A2107 2.142 -3.588 -3.487 1.00 5.44 H new ATOM 0 HG21 VAL A2107 4.218 -1.288 -3.628 1.00 20.21 H new ATOM 0 HG22 VAL A2107 4.150 -2.599 -4.830 1.00 20.21 H new ATOM 0 HG23 VAL A2107 4.049 -0.902 -5.357 1.00 20.21 H new ATOM 1559 N PHE A2108 -0.712 -1.879 -5.098 1.00 52.12 N ATOM 1560 CA PHE A2108 -2.074 -2.327 -4.860 1.00 41.22 C ATOM 1561 C PHE A2108 -2.749 -2.746 -6.166 1.00 33.41 C ATOM 1562 O PHE A2108 -3.638 -3.598 -6.165 1.00 60.13 O ATOM 1563 CB PHE A2108 -2.835 -1.141 -4.265 1.00 73.05 C ATOM 1564 CG PHE A2108 -2.619 -0.952 -2.762 1.00 41.15 C ATOM 1565 CD1 PHE A2108 -1.531 -0.269 -2.312 1.00 62.21 C ATOM 1566 CD2 PHE A2108 -3.513 -1.467 -1.876 1.00 24.23 C ATOM 1567 CE1 PHE A2108 -1.331 -0.095 -0.917 1.00 23.12 C ATOM 1568 CE2 PHE A2108 -3.312 -1.293 -0.481 1.00 74.14 C ATOM 1569 CZ PHE A2108 -2.225 -0.611 -0.031 1.00 73.41 C ATOM 0 H PHE A2108 -0.546 -0.893 -4.899 1.00 52.12 H new ATOM 0 HA PHE A2108 -2.072 -3.188 -4.191 1.00 41.22 H new ATOM 0 HB2 PHE A2108 -2.531 -0.231 -4.782 1.00 73.05 H new ATOM 0 HB3 PHE A2108 -3.900 -1.274 -4.454 1.00 73.05 H new ATOM 0 HD1 PHE A2108 -0.821 0.140 -3.015 1.00 62.21 H new ATOM 0 HD2 PHE A2108 -4.376 -2.009 -2.233 1.00 24.23 H new ATOM 0 HE1 PHE A2108 -0.468 0.447 -0.559 1.00 23.12 H new ATOM 0 HE2 PHE A2108 -4.022 -1.702 0.222 1.00 74.14 H new ATOM 0 HZ PHE A2108 -2.071 -0.479 1.030 1.00 73.41 H new ATOM 1579 N ARG A2109 -2.303 -2.132 -7.251 1.00 24.10 N ATOM 1580 CA ARG A2109 -2.854 -2.433 -8.562 1.00 15.04 C ATOM 1581 C ARG A2109 -2.326 -3.779 -9.063 1.00 55.11 C ATOM 1582 O ARG A2109 -2.973 -4.440 -9.875 1.00 72.43 O ATOM 1583 CB ARG A2109 -2.492 -1.344 -9.574 1.00 43.10 C ATOM 1584 CG ARG A2109 -3.109 -1.641 -10.942 1.00 3.02 C ATOM 1585 CD ARG A2109 -2.048 -1.591 -12.044 1.00 44.04 C ATOM 1586 NE ARG A2109 -2.463 -0.646 -13.104 1.00 40.22 N ATOM 1587 CZ ARG A2109 -2.220 0.683 -13.071 1.00 40.11 C ATOM 1588 NH1 ARG A2109 -1.560 1.232 -12.031 1.00 35.30 N ATOM 1589 NH2 ARG A2109 -2.635 1.435 -14.074 1.00 54.13 N ATOM 0 H ARG A2109 -1.566 -1.427 -7.250 1.00 24.10 H new ATOM 0 HA ARG A2109 -3.939 -2.477 -8.464 1.00 15.04 H new ATOM 0 HB2 ARG A2109 -2.844 -0.377 -9.215 1.00 43.10 H new ATOM 0 HB3 ARG A2109 -1.408 -1.275 -9.667 1.00 43.10 H new ATOM 0 HG2 ARG A2109 -3.578 -2.625 -10.928 1.00 3.02 H new ATOM 0 HG3 ARG A2109 -3.895 -0.917 -11.156 1.00 3.02 H new ATOM 0 HD2 ARG A2109 -1.091 -1.282 -11.625 1.00 44.04 H new ATOM 0 HD3 ARG A2109 -1.905 -2.585 -12.467 1.00 44.04 H new ATOM 0 HE ARG A2109 -2.964 -1.021 -13.910 1.00 40.22 H new ATOM 0 HH11 ARG A2109 -1.240 0.643 -11.262 1.00 35.30 H new ATOM 0 HH12 ARG A2109 -1.380 2.236 -12.014 1.00 35.30 H new ATOM 0 HH21 ARG A2109 -3.131 1.011 -14.858 1.00 54.13 H new ATOM 0 HH22 ARG A2109 -2.460 2.440 -14.065 1.00 54.13 H new ATOM 1601 N ARG A2110 -1.159 -4.147 -8.557 1.00 43.51 N ATOM 1602 CA ARG A2110 -0.539 -5.403 -8.943 1.00 13.11 C ATOM 1603 C ARG A2110 -1.203 -6.570 -8.211 1.00 20.51 C ATOM 1604 O ARG A2110 -1.612 -7.546 -8.836 1.00 22.24 O ATOM 1605 CB ARG A2110 0.959 -5.398 -8.628 1.00 34.11 C ATOM 1606 CG ARG A2110 1.749 -6.139 -9.707 1.00 33.22 C ATOM 1607 CD ARG A2110 1.718 -7.650 -9.469 1.00 64.40 C ATOM 1608 NE ARG A2110 3.004 -8.097 -8.888 1.00 24.42 N ATOM 1609 CZ ARG A2110 4.161 -8.177 -9.582 1.00 71.24 C ATOM 1610 NH1 ARG A2110 4.202 -7.838 -10.888 1.00 74.30 N ATOM 1611 NH2 ARG A2110 5.249 -8.591 -8.962 1.00 54.13 N ATOM 0 H ARG A2110 -0.626 -3.598 -7.883 1.00 43.51 H new ATOM 0 HA ARG A2110 -0.672 -5.521 -10.018 1.00 13.11 H new ATOM 0 HB2 ARG A2110 1.315 -4.370 -8.553 1.00 34.11 H new ATOM 0 HB3 ARG A2110 1.132 -5.867 -7.659 1.00 34.11 H new ATOM 0 HG2 ARG A2110 1.331 -5.913 -10.688 1.00 33.22 H new ATOM 0 HG3 ARG A2110 2.781 -5.789 -9.712 1.00 33.22 H new ATOM 0 HD2 ARG A2110 0.898 -7.904 -8.797 1.00 64.40 H new ATOM 0 HD3 ARG A2110 1.533 -8.171 -10.409 1.00 64.40 H new ATOM 0 HE ARG A2110 3.018 -8.361 -7.903 1.00 24.42 H new ATOM 0 HH11 ARG A2110 3.355 -7.518 -11.359 1.00 74.30 H new ATOM 0 HH12 ARG A2110 5.080 -7.901 -11.404 1.00 74.30 H new ATOM 0 HH21 ARG A2110 5.208 -8.844 -7.975 1.00 54.13 H new ATOM 0 HH22 ARG A2110 6.131 -8.658 -9.470 1.00 54.13 H new ATOM 1623 N ILE A2111 -1.289 -6.429 -6.896 1.00 61.04 N ATOM 1624 CA ILE A2111 -1.898 -7.460 -6.071 1.00 64.11 C ATOM 1625 C ILE A2111 -3.196 -7.934 -6.730 1.00 21.12 C ATOM 1626 O ILE A2111 -3.582 -9.092 -6.587 1.00 34.13 O ATOM 1627 CB ILE A2111 -2.083 -6.961 -4.638 1.00 61.32 C ATOM 1628 CG1 ILE A2111 -2.764 -5.590 -4.619 1.00 52.41 C ATOM 1629 CG2 ILE A2111 -0.751 -6.949 -3.885 1.00 23.44 C ATOM 1630 CD1 ILE A2111 -2.952 -5.091 -3.185 1.00 75.53 C ATOM 0 H ILE A2111 -0.947 -5.617 -6.381 1.00 61.04 H new ATOM 0 HA ILE A2111 -1.241 -8.327 -5.999 1.00 64.11 H new ATOM 0 HB ILE A2111 -2.741 -7.656 -4.117 1.00 61.32 H new ATOM 0 HG12 ILE A2111 -2.164 -4.874 -5.181 1.00 52.41 H new ATOM 0 HG13 ILE A2111 -3.732 -5.654 -5.115 1.00 52.41 H new ATOM 0 HG21 ILE A2111 -0.911 -6.590 -2.868 1.00 23.44 H new ATOM 0 HG22 ILE A2111 -0.342 -7.959 -3.853 1.00 23.44 H new ATOM 0 HG23 ILE A2111 -0.050 -6.290 -4.397 1.00 23.44 H new ATOM 0 HD11 ILE A2111 -3.438 -4.115 -3.200 1.00 75.53 H new ATOM 0 HD12 ILE A2111 -3.572 -5.797 -2.633 1.00 75.53 H new ATOM 0 HD13 ILE A2111 -1.980 -5.005 -2.699 1.00 75.53 H new ATOM 1642 N SER A2112 -3.834 -7.013 -7.438 1.00 12.54 N ATOM 1643 CA SER A2112 -5.080 -7.321 -8.118 1.00 12.05 C ATOM 1644 C SER A2112 -4.790 -7.910 -9.499 1.00 22.03 C ATOM 1645 O SER A2112 -5.263 -8.997 -9.827 1.00 43.30 O ATOM 1646 CB SER A2112 -5.961 -6.076 -8.245 1.00 32.33 C ATOM 1647 OG SER A2112 -6.962 -6.233 -9.246 1.00 53.32 O ATOM 0 H SER A2112 -3.511 -6.053 -7.555 1.00 12.54 H new ATOM 0 HA SER A2112 -5.622 -8.056 -7.523 1.00 12.05 H new ATOM 0 HB2 SER A2112 -6.436 -5.868 -7.286 1.00 32.33 H new ATOM 0 HB3 SER A2112 -5.339 -5.214 -8.486 1.00 32.33 H new ATOM 0 HG SER A2112 -7.505 -5.419 -9.296 1.00 53.32 H new ATOM 1653 N LYS A2113 -4.012 -7.167 -10.273 1.00 51.04 N ATOM 1654 CA LYS A2113 -3.654 -7.601 -11.612 1.00 14.23 C ATOM 1655 C LYS A2113 -3.336 -9.098 -11.589 1.00 42.24 C ATOM 1656 O LYS A2113 -4.197 -9.922 -11.892 1.00 24.04 O ATOM 1657 CB LYS A2113 -2.517 -6.740 -12.169 1.00 34.21 C ATOM 1658 CG LYS A2113 -2.932 -6.063 -13.476 1.00 61.05 C ATOM 1659 CD LYS A2113 -3.739 -4.792 -13.202 1.00 32.32 C ATOM 1660 CE LYS A2113 -5.239 -5.091 -13.171 1.00 22.01 C ATOM 1661 NZ LYS A2113 -6.019 -3.860 -13.428 1.00 31.41 N ATOM 0 H LYS A2113 -3.620 -6.267 -9.998 1.00 51.04 H new ATOM 0 HA LYS A2113 -4.492 -7.462 -12.295 1.00 14.23 H new ATOM 0 HB2 LYS A2113 -2.237 -5.983 -11.436 1.00 34.21 H new ATOM 0 HB3 LYS A2113 -1.637 -7.360 -12.340 1.00 34.21 H new ATOM 0 HG2 LYS A2113 -2.045 -5.816 -14.060 1.00 61.05 H new ATOM 0 HG3 LYS A2113 -3.526 -6.753 -14.075 1.00 61.05 H new ATOM 0 HD2 LYS A2113 -3.431 -4.360 -12.250 1.00 32.32 H new ATOM 0 HD3 LYS A2113 -3.528 -4.050 -13.972 1.00 32.32 H new ATOM 0 HE2 LYS A2113 -5.481 -5.845 -13.920 1.00 22.01 H new ATOM 0 HE3 LYS A2113 -5.513 -5.506 -12.201 1.00 22.01 H new ATOM 0 HZ1 LYS A2113 -7.035 -4.081 -13.403 1.00 31.41 H new ATOM 0 HZ2 LYS A2113 -5.801 -3.152 -12.698 1.00 31.41 H new ATOM 0 HZ3 LYS A2113 -5.770 -3.480 -14.364 1.00 31.41 H new ATOM 1674 N GLN A2114 -2.097 -9.403 -11.230 1.00 40.04 N ATOM 1675 CA GLN A2114 -1.658 -10.786 -11.165 1.00 34.31 C ATOM 1676 C GLN A2114 -1.161 -11.119 -9.755 1.00 53.04 C ATOM 1677 O GLN A2114 -1.917 -11.634 -8.934 1.00 41.03 O ATOM 1678 CB GLN A2114 -0.573 -11.065 -12.207 1.00 21.51 C ATOM 1679 CG GLN A2114 -0.891 -12.336 -12.999 1.00 51.40 C ATOM 1680 CD GLN A2114 -1.513 -11.995 -14.355 1.00 2.44 C ATOM 1681 OE1 GLN A2114 -2.178 -10.987 -14.526 1.00 2.01 O ATOM 1682 NE2 GLN A2114 -1.258 -12.890 -15.307 1.00 1.10 N ATOM 0 H GLN A2114 -1.385 -8.717 -10.982 1.00 40.04 H new ATOM 0 HA GLN A2114 -2.509 -11.429 -11.392 1.00 34.31 H new ATOM 0 HB2 GLN A2114 -0.491 -10.218 -12.888 1.00 21.51 H new ATOM 0 HB3 GLN A2114 0.393 -11.171 -11.713 1.00 21.51 H new ATOM 0 HG2 GLN A2114 0.021 -12.914 -13.148 1.00 51.40 H new ATOM 0 HG3 GLN A2114 -1.576 -12.963 -12.428 1.00 51.40 H new ATOM 0 HE21 GLN A2114 -0.693 -13.713 -15.095 1.00 1.10 H new ATOM 0 HE22 GLN A2114 -1.627 -12.753 -16.248 1.00 1.10 H new TER 1691 GLN A2114