USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=24 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: A2026 MET CE :methyl 160:sc= -11.3! (180deg=-6.06!) USER MOD Set 1.2: A2057 MET CE :methyl 170:sc= -1.17 (180deg=-1.12) USER MOD Set 1.3: A2058 MET CE :methyl -154:sc= -18.7! (180deg=-12.8!) USER MOD Single : A2014 MET CE :methyl -144:sc= 0 (180deg=-0.00523) USER MOD Single : A2024 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.1!) USER MOD Single : A2028 HIS :FLIP no HD1:sc= -0.822 F(o=-2.1!,f=-0.82) USER MOD Single : A2035 SER OG : rot -18:sc= 0.556! USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -3.18 K(o=-3.2,f=-6.4!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -149:sc= -4.34 (180deg=-6.83!) USER MOD Single : A2055 HIS :FLIP no HD1:sc= -5.16! C(o=-8.5!,f=-5.2!) USER MOD Single : A2063 GLN : amide:sc= -1.99 X(o=-2,f=-2.1) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 76:sc= 0.094 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0403 K(o=-0.04,f=-0.79) USER MOD Single : A2072 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2074 TYR OH : rot 130:sc= -3.06! USER MOD Single : A2079 MET CE :methyl -123:sc= -0.0803 (180deg=-0.466) USER MOD Single : A2082 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.5!) USER MOD Single : A2085 CYS SG : rot 87:sc= -3.71! USER MOD Single : A2087 LYS NZ :NH3+ 157:sc= -0.607! (180deg=-1.91!) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl 137:sc= -0.894 (180deg=-3.95!) USER MOD Single : A2090 LYS NZ :NH3+ -164:sc= -0.0182 (180deg=-0.304) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.0278 K(o=-0.028,f=-2.9!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.23) USER MOD Single : A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.0025) 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= 0.0195 K(o=0.02,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -15.432 -6.090 2.228 1.00 10.10 N ATOM 2 CA MET A2014 -15.244 -7.276 1.409 1.00 41.34 C ATOM 3 C MET A2014 -16.268 -7.324 0.273 1.00 63.01 C ATOM 4 O MET A2014 -17.242 -6.573 0.277 1.00 40.24 O ATOM 5 CB MET A2014 -15.386 -8.525 2.279 1.00 61.43 C ATOM 6 CG MET A2014 -14.110 -9.368 2.239 1.00 51.43 C ATOM 7 SD MET A2014 -14.488 -11.066 2.645 1.00 53.31 S ATOM 8 CE MET A2014 -14.796 -10.905 4.396 1.00 22.11 C ATOM 0 HA MET A2014 -14.246 -7.240 0.972 1.00 41.34 H new ATOM 0 HB2 MET A2014 -15.602 -8.234 3.307 1.00 61.43 H new ATOM 0 HB3 MET A2014 -16.231 -9.120 1.932 1.00 61.43 H new ATOM 0 HG2 MET A2014 -13.659 -9.314 1.248 1.00 51.43 H new ATOM 0 HG3 MET A2014 -13.379 -8.971 2.944 1.00 51.43 H new ATOM 0 HE1 MET A2014 -14.428 -11.791 4.913 1.00 22.11 H new ATOM 0 HE2 MET A2014 -14.281 -10.023 4.776 1.00 22.11 H new ATOM 0 HE3 MET A2014 -15.867 -10.803 4.569 1.00 22.11 H new ATOM 18 N GLU A2015 -16.012 -8.217 -0.673 1.00 70.40 N ATOM 19 CA GLU A2015 -16.900 -8.373 -1.812 1.00 62.32 C ATOM 20 C GLU A2015 -17.663 -9.696 -1.712 1.00 62.25 C ATOM 21 O GLU A2015 -18.646 -9.906 -2.423 1.00 71.11 O ATOM 22 CB GLU A2015 -16.124 -8.288 -3.129 1.00 41.54 C ATOM 23 CG GLU A2015 -16.880 -7.443 -4.156 1.00 23.12 C ATOM 24 CD GLU A2015 -15.970 -7.061 -5.326 1.00 50.14 C ATOM 25 OE1 GLU A2015 -15.302 -7.930 -5.903 1.00 22.53 O ATOM 26 OE2 GLU A2015 -15.973 -5.806 -5.630 1.00 72.21 O ATOM 0 H GLU A2015 -15.203 -8.839 -0.673 1.00 70.40 H new ATOM 0 HA GLU A2015 -17.622 -7.556 -1.799 1.00 62.32 H new ATOM 0 HB2 GLU A2015 -15.141 -7.854 -2.949 1.00 41.54 H new ATOM 0 HB3 GLU A2015 -15.962 -9.290 -3.525 1.00 41.54 H new ATOM 0 HG2 GLU A2015 -17.741 -7.999 -4.527 1.00 23.12 H new ATOM 0 HG3 GLU A2015 -17.264 -6.541 -3.679 1.00 23.12 H new ATOM 34 N LEU A2016 -17.183 -10.553 -0.824 1.00 63.40 N ATOM 35 CA LEU A2016 -17.807 -11.850 -0.623 1.00 54.31 C ATOM 36 C LEU A2016 -17.471 -12.763 -1.804 1.00 22.54 C ATOM 37 O LEU A2016 -18.093 -13.811 -1.979 1.00 43.33 O ATOM 38 CB LEU A2016 -19.309 -11.689 -0.378 1.00 45.55 C ATOM 39 CG LEU A2016 -19.886 -12.475 0.802 1.00 53.44 C ATOM 40 CD1 LEU A2016 -20.829 -11.605 1.633 1.00 44.23 C ATOM 41 CD2 LEU A2016 -20.562 -13.761 0.325 1.00 22.24 C ATOM 0 H LEU A2016 -16.369 -10.375 -0.235 1.00 63.40 H new ATOM 0 HA LEU A2016 -17.410 -12.329 0.272 1.00 54.31 H new ATOM 0 HB2 LEU A2016 -19.520 -10.631 -0.222 1.00 45.55 H new ATOM 0 HB3 LEU A2016 -19.838 -11.989 -1.282 1.00 45.55 H new ATOM 0 HG LEU A2016 -19.062 -12.767 1.453 1.00 53.44 H new ATOM 0 HD11 LEU A2016 -21.224 -12.188 2.464 1.00 44.23 H new ATOM 0 HD12 LEU A2016 -20.283 -10.745 2.021 1.00 44.23 H new ATOM 0 HD13 LEU A2016 -21.652 -11.261 1.007 1.00 44.23 H new ATOM 0 HD21 LEU A2016 -20.963 -14.301 1.183 1.00 22.24 H new ATOM 0 HD22 LEU A2016 -21.373 -13.513 -0.360 1.00 22.24 H new ATOM 0 HD23 LEU A2016 -19.832 -14.387 -0.188 1.00 22.24 H new ATOM 53 N ILE A2017 -16.492 -12.333 -2.583 1.00 71.33 N ATOM 54 CA ILE A2017 -16.066 -13.097 -3.742 1.00 43.31 C ATOM 55 C ILE A2017 -14.665 -13.659 -3.492 1.00 43.42 C ATOM 56 O ILE A2017 -14.516 -14.822 -3.121 1.00 63.44 O ATOM 57 CB ILE A2017 -16.170 -12.250 -5.013 1.00 10.22 C ATOM 58 CG1 ILE A2017 -17.632 -12.028 -5.405 1.00 21.41 C ATOM 59 CG2 ILE A2017 -15.358 -12.868 -6.153 1.00 54.14 C ATOM 60 CD1 ILE A2017 -18.379 -13.359 -5.514 1.00 14.44 C ATOM 0 H ILE A2017 -15.980 -11.463 -2.434 1.00 71.33 H new ATOM 0 HA ILE A2017 -16.729 -13.948 -3.899 1.00 43.31 H new ATOM 0 HB ILE A2017 -15.739 -11.270 -4.807 1.00 10.22 H new ATOM 0 HG12 ILE A2017 -18.118 -11.394 -4.664 1.00 21.41 H new ATOM 0 HG13 ILE A2017 -17.681 -11.501 -6.358 1.00 21.41 H new ATOM 0 HG21 ILE A2017 -15.450 -12.246 -7.044 1.00 54.14 H new ATOM 0 HG22 ILE A2017 -14.310 -12.931 -5.861 1.00 54.14 H new ATOM 0 HG23 ILE A2017 -15.735 -13.868 -6.368 1.00 54.14 H new ATOM 0 HD11 ILE A2017 -19.416 -13.172 -5.794 1.00 14.44 H new ATOM 0 HD12 ILE A2017 -17.905 -13.981 -6.273 1.00 14.44 H new ATOM 0 HD13 ILE A2017 -18.349 -13.873 -4.553 1.00 14.44 H new ATOM 72 N ARG A2018 -13.673 -12.807 -3.704 1.00 71.34 N ATOM 73 CA ARG A2018 -12.289 -13.203 -3.505 1.00 15.23 C ATOM 74 C ARG A2018 -12.130 -13.919 -2.163 1.00 14.30 C ATOM 75 O ARG A2018 -12.816 -13.593 -1.195 1.00 74.43 O ATOM 76 CB ARG A2018 -11.357 -11.989 -3.542 1.00 31.12 C ATOM 77 CG ARG A2018 -9.893 -12.424 -3.595 1.00 4.54 C ATOM 78 CD ARG A2018 -9.110 -11.592 -4.612 1.00 1.05 C ATOM 79 NE ARG A2018 -8.466 -12.482 -5.604 1.00 23.24 N ATOM 80 CZ ARG A2018 -7.396 -12.132 -6.351 1.00 63.11 C ATOM 81 NH1 ARG A2018 -6.843 -10.907 -6.225 1.00 23.44 N ATOM 82 NH2 ARG A2018 -6.900 -13.007 -7.207 1.00 30.11 N ATOM 0 H ARG A2018 -13.800 -11.843 -4.012 1.00 71.34 H new ATOM 0 HA ARG A2018 -12.018 -13.879 -4.316 1.00 15.23 H new ATOM 0 HB2 ARG A2018 -11.589 -11.374 -4.412 1.00 31.12 H new ATOM 0 HB3 ARG A2018 -11.525 -11.370 -2.660 1.00 31.12 H new ATOM 0 HG2 ARG A2018 -9.442 -12.317 -2.608 1.00 4.54 H new ATOM 0 HG3 ARG A2018 -9.833 -13.480 -3.860 1.00 4.54 H new ATOM 0 HD2 ARG A2018 -9.779 -10.895 -5.117 1.00 1.05 H new ATOM 0 HD3 ARG A2018 -8.354 -10.995 -4.101 1.00 1.05 H new ATOM 0 HE ARG A2018 -8.854 -13.417 -5.731 1.00 23.24 H new ATOM 0 HH11 ARG A2018 -7.233 -10.237 -5.562 1.00 23.44 H new ATOM 0 HH12 ARG A2018 -6.035 -10.651 -6.793 1.00 23.44 H new ATOM 0 HH21 ARG A2018 -7.324 -13.930 -7.296 1.00 30.11 H new ATOM 0 HH22 ARG A2018 -6.093 -12.760 -7.779 1.00 30.11 H new ATOM 94 N VAL A2019 -11.221 -14.882 -2.147 1.00 30.11 N ATOM 95 CA VAL A2019 -10.963 -15.648 -0.939 1.00 61.12 C ATOM 96 C VAL A2019 -11.021 -14.715 0.272 1.00 3.04 C ATOM 97 O VAL A2019 -10.505 -13.600 0.228 1.00 73.11 O ATOM 98 CB VAL A2019 -9.628 -16.386 -1.061 1.00 53.34 C ATOM 99 CG1 VAL A2019 -8.652 -15.607 -1.947 1.00 74.01 C ATOM 100 CG2 VAL A2019 -9.022 -16.655 0.318 1.00 75.43 C ATOM 0 H VAL A2019 -10.654 -15.150 -2.951 1.00 30.11 H new ATOM 0 HA VAL A2019 -11.729 -16.411 -0.800 1.00 61.12 H new ATOM 0 HB VAL A2019 -9.818 -17.348 -1.536 1.00 53.34 H new ATOM 0 HG11 VAL A2019 -7.711 -16.152 -2.018 1.00 74.01 H new ATOM 0 HG12 VAL A2019 -9.079 -15.489 -2.943 1.00 74.01 H new ATOM 0 HG13 VAL A2019 -8.470 -14.624 -1.512 1.00 74.01 H new ATOM 0 HG21 VAL A2019 -8.074 -17.180 0.203 1.00 75.43 H new ATOM 0 HG22 VAL A2019 -8.852 -15.709 0.832 1.00 75.43 H new ATOM 0 HG23 VAL A2019 -9.707 -17.268 0.903 1.00 75.43 H new ATOM 110 N PRO A2020 -11.673 -15.220 1.356 1.00 40.45 N ATOM 111 CA PRO A2020 -11.805 -14.445 2.578 1.00 70.44 C ATOM 112 C PRO A2020 -10.484 -14.405 3.348 1.00 65.32 C ATOM 113 O PRO A2020 -10.241 -13.480 4.121 1.00 71.14 O ATOM 114 CB PRO A2020 -12.924 -15.120 3.352 1.00 31.52 C ATOM 115 CG PRO A2020 -13.060 -16.513 2.759 1.00 62.24 C ATOM 116 CD PRO A2020 -12.297 -16.537 1.445 1.00 61.53 C ATOM 0 HA PRO A2020 -12.044 -13.399 2.389 1.00 70.44 H new ATOM 0 HB2 PRO A2020 -12.689 -15.169 4.415 1.00 31.52 H new ATOM 0 HB3 PRO A2020 -13.856 -14.563 3.257 1.00 31.52 H new ATOM 0 HG2 PRO A2020 -12.662 -17.260 3.445 1.00 62.24 H new ATOM 0 HG3 PRO A2020 -14.110 -16.757 2.595 1.00 62.24 H new ATOM 0 HD2 PRO A2020 -11.550 -17.331 1.435 1.00 61.53 H new ATOM 0 HD3 PRO A2020 -12.965 -16.717 0.602 1.00 61.53 H new ATOM 124 N ILE A2021 -9.666 -15.419 3.110 1.00 41.03 N ATOM 125 CA ILE A2021 -8.376 -15.510 3.771 1.00 71.41 C ATOM 126 C ILE A2021 -7.275 -15.095 2.792 1.00 12.25 C ATOM 127 O ILE A2021 -6.839 -15.897 1.967 1.00 62.43 O ATOM 128 CB ILE A2021 -8.176 -16.907 4.365 1.00 14.42 C ATOM 129 CG1 ILE A2021 -9.392 -17.327 5.194 1.00 23.11 C ATOM 130 CG2 ILE A2021 -6.879 -16.978 5.173 1.00 2.42 C ATOM 131 CD1 ILE A2021 -9.541 -16.448 6.436 1.00 70.10 C ATOM 0 H ILE A2021 -9.872 -16.185 2.468 1.00 41.03 H new ATOM 0 HA ILE A2021 -8.330 -14.820 4.614 1.00 71.41 H new ATOM 0 HB ILE A2021 -8.083 -17.619 3.545 1.00 14.42 H new ATOM 0 HG12 ILE A2021 -10.293 -17.257 4.585 1.00 23.11 H new ATOM 0 HG13 ILE A2021 -9.290 -18.370 5.493 1.00 23.11 H new ATOM 0 HG21 ILE A2021 -6.761 -17.981 5.584 1.00 2.42 H new ATOM 0 HG22 ILE A2021 -6.033 -16.750 4.524 1.00 2.42 H new ATOM 0 HG23 ILE A2021 -6.917 -16.254 5.987 1.00 2.42 H new ATOM 0 HD11 ILE A2021 -10.413 -16.769 7.006 1.00 70.10 H new ATOM 0 HD12 ILE A2021 -8.649 -16.539 7.055 1.00 70.10 H new ATOM 0 HD13 ILE A2021 -9.668 -15.409 6.133 1.00 70.10 H new ATOM 143 N LEU A2022 -6.856 -13.846 2.919 1.00 63.34 N ATOM 144 CA LEU A2022 -5.814 -13.314 2.055 1.00 13.24 C ATOM 145 C LEU A2022 -5.466 -11.893 2.498 1.00 1.23 C ATOM 146 O LEU A2022 -6.261 -11.235 3.169 1.00 74.32 O ATOM 147 CB LEU A2022 -6.232 -13.416 0.587 1.00 43.11 C ATOM 148 CG LEU A2022 -7.540 -12.719 0.210 1.00 52.34 C ATOM 149 CD1 LEU A2022 -8.465 -12.599 1.423 1.00 24.12 C ATOM 150 CD2 LEU A2022 -7.269 -11.360 -0.438 1.00 13.40 C ATOM 0 H LEU A2022 -7.218 -13.186 3.607 1.00 63.34 H new ATOM 0 HA LEU A2022 -4.904 -13.908 2.145 1.00 13.24 H new ATOM 0 HB2 LEU A2022 -5.433 -13.001 -0.027 1.00 43.11 H new ATOM 0 HB3 LEU A2022 -6.318 -14.471 0.327 1.00 43.11 H new ATOM 0 HG LEU A2022 -8.054 -13.333 -0.530 1.00 52.34 H new ATOM 0 HD11 LEU A2022 -9.388 -12.100 1.129 1.00 24.12 H new ATOM 0 HD12 LEU A2022 -8.696 -13.594 1.804 1.00 24.12 H new ATOM 0 HD13 LEU A2022 -7.971 -12.018 2.201 1.00 24.12 H new ATOM 0 HD21 LEU A2022 -8.215 -10.885 -0.697 1.00 13.40 H new ATOM 0 HD22 LEU A2022 -6.724 -10.726 0.261 1.00 13.40 H new ATOM 0 HD23 LEU A2022 -6.674 -11.499 -1.341 1.00 13.40 H new ATOM 162 N TRP A2023 -4.279 -11.458 2.106 1.00 2.50 N ATOM 163 CA TRP A2023 -3.815 -10.126 2.454 1.00 15.52 C ATOM 164 C TRP A2023 -4.444 -9.136 1.472 1.00 50.22 C ATOM 165 O TRP A2023 -4.847 -8.040 1.862 1.00 11.12 O ATOM 166 CB TRP A2023 -2.287 -10.063 2.471 1.00 62.30 C ATOM 167 CG TRP A2023 -1.660 -10.518 3.789 1.00 33.03 C ATOM 168 CD1 TRP A2023 -2.281 -10.956 4.892 1.00 34.05 C ATOM 169 CD2 TRP A2023 -0.251 -10.563 4.100 1.00 53.32 C ATOM 170 NE1 TRP A2023 -1.382 -11.278 5.887 1.00 22.53 N ATOM 171 CE2 TRP A2023 -0.108 -11.033 5.391 1.00 50.42 C ATOM 172 CE3 TRP A2023 0.867 -10.218 3.318 1.00 15.44 C ATOM 173 CZ2 TRP A2023 1.137 -11.198 6.013 1.00 32.44 C ATOM 174 CZ3 TRP A2023 2.101 -10.392 3.954 1.00 62.22 C ATOM 175 CH2 TRP A2023 2.263 -10.862 5.252 1.00 51.21 C ATOM 0 H TRP A2023 -3.623 -12.005 1.549 1.00 2.50 H new ATOM 0 HA TRP A2023 -4.127 -9.861 3.464 1.00 15.52 H new ATOM 0 HB2 TRP A2023 -1.899 -10.683 1.663 1.00 62.30 H new ATOM 0 HB3 TRP A2023 -1.974 -9.039 2.266 1.00 62.30 H new ATOM 0 HD1 TRP A2023 -3.353 -11.046 4.990 1.00 34.05 H new ATOM 0 HE1 TRP A2023 -1.611 -11.631 6.816 1.00 22.53 H new ATOM 0 HE3 TRP A2023 0.779 -9.848 2.307 1.00 15.44 H new ATOM 0 HZ2 TRP A2023 1.223 -11.565 7.025 1.00 32.44 H new ATOM 0 HZ3 TRP A2023 2.992 -10.143 3.396 1.00 62.22 H new ATOM 0 HH2 TRP A2023 3.253 -10.967 5.671 1.00 51.21 H new ATOM 186 N HIS A2024 -4.508 -9.555 0.217 1.00 63.13 N ATOM 187 CA HIS A2024 -5.081 -8.719 -0.824 1.00 24.42 C ATOM 188 C HIS A2024 -6.381 -8.089 -0.319 1.00 42.54 C ATOM 189 O HIS A2024 -6.802 -7.046 -0.815 1.00 54.42 O ATOM 190 CB HIS A2024 -5.272 -9.514 -2.117 1.00 31.25 C ATOM 191 CG HIS A2024 -4.212 -10.566 -2.353 1.00 53.25 C ATOM 192 ND1 HIS A2024 -4.471 -11.923 -2.274 1.00 75.11 N ATOM 193 CD2 HIS A2024 -2.891 -10.444 -2.669 1.00 73.43 C ATOM 194 CE1 HIS A2024 -3.350 -12.578 -2.530 1.00 72.21 C ATOM 195 NE2 HIS A2024 -2.371 -11.660 -2.774 1.00 10.23 N ATOM 0 H HIS A2024 -4.172 -10.463 -0.103 1.00 63.13 H new ATOM 0 HA HIS A2024 -4.393 -7.908 -1.063 1.00 24.42 H new ATOM 0 HB2 HIS A2024 -6.249 -9.996 -2.094 1.00 31.25 H new ATOM 0 HB3 HIS A2024 -5.277 -8.822 -2.959 1.00 31.25 H new ATOM 0 HD2 HIS A2024 -2.358 -9.515 -2.810 1.00 73.43 H new ATOM 0 HE1 HIS A2024 -3.231 -13.651 -2.543 1.00 72.21 H new ATOM 0 HE2 HIS A2024 -1.399 -11.873 -3.000 1.00 10.23 H new ATOM 204 N GLU A2025 -6.979 -8.750 0.661 1.00 34.41 N ATOM 205 CA GLU A2025 -8.222 -8.268 1.238 1.00 25.11 C ATOM 206 C GLU A2025 -7.980 -6.968 2.010 1.00 4.25 C ATOM 207 O GLU A2025 -8.785 -6.041 1.939 1.00 0.53 O ATOM 208 CB GLU A2025 -8.857 -9.330 2.139 1.00 22.01 C ATOM 209 CG GLU A2025 -10.382 -9.203 2.145 1.00 3.02 C ATOM 210 CD GLU A2025 -10.879 -8.656 3.484 1.00 52.00 C ATOM 211 OE1 GLU A2025 -11.502 -7.582 3.521 1.00 51.51 O ATOM 212 OE2 GLU A2025 -10.603 -9.387 4.510 1.00 70.55 O ATOM 0 H GLU A2025 -6.626 -9.615 1.070 1.00 34.41 H new ATOM 0 HA GLU A2025 -8.920 -8.062 0.427 1.00 25.11 H new ATOM 0 HB2 GLU A2025 -8.573 -10.323 1.792 1.00 22.01 H new ATOM 0 HB3 GLU A2025 -8.476 -9.226 3.155 1.00 22.01 H new ATOM 0 HG2 GLU A2025 -10.699 -8.543 1.338 1.00 3.02 H new ATOM 0 HG3 GLU A2025 -10.833 -10.177 1.956 1.00 3.02 H new ATOM 220 N MET A2026 -6.868 -6.945 2.730 1.00 41.43 N ATOM 221 CA MET A2026 -6.512 -5.775 3.515 1.00 43.24 C ATOM 222 C MET A2026 -6.075 -4.619 2.610 1.00 61.44 C ATOM 223 O MET A2026 -6.282 -3.454 2.943 1.00 44.11 O ATOM 224 CB MET A2026 -5.371 -6.131 4.471 1.00 14.21 C ATOM 225 CG MET A2026 -4.009 -5.928 3.803 1.00 64.32 C ATOM 226 SD MET A2026 -3.494 -4.226 3.967 1.00 71.42 S ATOM 227 CE MET A2026 -1.725 -4.427 3.865 1.00 1.25 C ATOM 0 H MET A2026 -6.203 -7.716 2.786 1.00 41.43 H new ATOM 0 HA MET A2026 -7.389 -5.459 4.080 1.00 43.24 H new ATOM 0 HB2 MET A2026 -5.436 -5.513 5.366 1.00 14.21 H new ATOM 0 HB3 MET A2026 -5.471 -7.168 4.792 1.00 14.21 H new ATOM 0 HG2 MET A2026 -3.269 -6.586 4.260 1.00 64.32 H new ATOM 0 HG3 MET A2026 -4.068 -6.198 2.749 1.00 64.32 H new ATOM 0 HE1 MET A2026 -1.266 -3.476 3.595 1.00 1.25 H new ATOM 0 HE2 MET A2026 -1.340 -4.755 4.831 1.00 1.25 H new ATOM 0 HE3 MET A2026 -1.487 -5.173 3.107 1.00 1.25 H new ATOM 237 N TRP A2027 -5.482 -4.984 1.482 1.00 74.11 N ATOM 238 CA TRP A2027 -5.016 -3.993 0.527 1.00 31.50 C ATOM 239 C TRP A2027 -6.242 -3.325 -0.097 1.00 1.53 C ATOM 240 O TRP A2027 -6.337 -2.099 -0.129 1.00 20.02 O ATOM 241 CB TRP A2027 -4.089 -4.628 -0.511 1.00 45.34 C ATOM 242 CG TRP A2027 -2.760 -5.126 0.062 1.00 24.45 C ATOM 243 CD1 TRP A2027 -2.521 -6.278 0.703 1.00 24.05 C ATOM 244 CD2 TRP A2027 -1.492 -4.438 0.021 1.00 70.42 C ATOM 245 NE1 TRP A2027 -1.196 -6.385 1.076 1.00 54.35 N ATOM 246 CE2 TRP A2027 -0.551 -5.229 0.649 1.00 64.24 C ATOM 247 CE3 TRP A2027 -1.152 -3.190 -0.527 1.00 52.15 C ATOM 248 CZ2 TRP A2027 0.791 -4.858 0.787 1.00 5.11 C ATOM 249 CZ3 TRP A2027 0.193 -2.834 -0.382 1.00 13.21 C ATOM 250 CH2 TRP A2027 1.152 -3.618 0.246 1.00 41.42 C ATOM 0 H TRP A2027 -5.314 -5.952 1.208 1.00 74.11 H new ATOM 0 HA TRP A2027 -4.418 -3.229 1.024 1.00 31.50 H new ATOM 0 HB2 TRP A2027 -4.606 -5.464 -0.981 1.00 45.34 H new ATOM 0 HB3 TRP A2027 -3.884 -3.899 -1.295 1.00 45.34 H new ATOM 0 HD1 TRP A2027 -3.271 -7.029 0.903 1.00 24.05 H new ATOM 0 HE1 TRP A2027 -0.769 -7.167 1.573 1.00 54.35 H new ATOM 0 HE3 TRP A2027 -1.872 -2.555 -1.021 1.00 52.15 H new ATOM 0 HZ2 TRP A2027 1.509 -5.493 1.284 1.00 5.11 H new ATOM 0 HZ3 TRP A2027 0.508 -1.883 -0.787 1.00 13.21 H new ATOM 0 HH2 TRP A2027 2.173 -3.272 0.317 1.00 41.42 H new ATOM 261 N HIS A2028 -7.153 -4.159 -0.576 1.00 0.23 N ATOM 262 CA HIS A2028 -8.369 -3.665 -1.196 1.00 32.41 C ATOM 263 C HIS A2028 -9.117 -2.763 -0.213 1.00 72.44 C ATOM 264 O HIS A2028 -9.358 -1.590 -0.499 1.00 22.43 O ATOM 265 CB HIS A2028 -9.229 -4.823 -1.709 1.00 42.24 C ATOM 266 CG HIS A2028 -10.709 -4.634 -1.488 1.00 34.12 C ATOM 267 ND1 HIS A2028 -11.477 -4.825 -0.375 1.00 70.03 N flip ATOM 268 CD2 HIS A2028 -11.568 -4.201 -2.483 1.00 43.11 C flip ATOM 269 CE1 HIS A2028 -12.733 -4.523 -0.674 1.00 5.21 C flip ATOM 270 NE2 HIS A2028 -12.793 -4.137 -1.982 1.00 41.04 N flip ATOM 0 H HIS A2028 -7.072 -5.175 -0.547 1.00 0.23 H new ATOM 0 HA HIS A2028 -8.116 -3.063 -2.069 1.00 32.41 H new ATOM 0 HB2 HIS A2028 -9.045 -4.954 -2.775 1.00 42.24 H new ATOM 0 HB3 HIS A2028 -8.913 -5.742 -1.216 1.00 42.24 H new ATOM 0 HD2 HIS A2028 -11.287 -3.957 -3.497 1.00 43.11 H new ATOM 0 HE1 HIS A2028 -13.571 -4.574 0.006 1.00 5.21 H new ATOM 0 HE2 HIS A2028 -13.633 -3.850 -2.485 1.00 41.04 H new ATOM 279 N GLU A2029 -9.464 -3.344 0.927 1.00 73.03 N ATOM 280 CA GLU A2029 -10.179 -2.606 1.955 1.00 42.23 C ATOM 281 C GLU A2029 -9.315 -1.461 2.484 1.00 45.34 C ATOM 282 O GLU A2029 -9.816 -0.362 2.726 1.00 25.12 O ATOM 283 CB GLU A2029 -10.615 -3.535 3.091 1.00 52.21 C ATOM 284 CG GLU A2029 -9.514 -3.665 4.145 1.00 74.30 C ATOM 285 CD GLU A2029 -9.833 -4.789 5.133 1.00 3.13 C ATOM 286 OE1 GLU A2029 -9.915 -4.543 6.347 1.00 62.32 O ATOM 287 OE2 GLU A2029 -9.998 -5.953 4.603 1.00 72.44 O ATOM 0 H GLU A2029 -9.263 -4.316 1.161 1.00 73.03 H new ATOM 0 HA GLU A2029 -11.079 -2.180 1.511 1.00 42.23 H new ATOM 0 HB2 GLU A2029 -11.523 -3.148 3.554 1.00 52.21 H new ATOM 0 HB3 GLU A2029 -10.857 -4.519 2.689 1.00 52.21 H new ATOM 0 HG2 GLU A2029 -8.560 -3.864 3.657 1.00 74.30 H new ATOM 0 HG3 GLU A2029 -9.407 -2.723 4.682 1.00 74.30 H new ATOM 295 N GLY A2030 -8.034 -1.755 2.650 1.00 33.21 N ATOM 296 CA GLY A2030 -7.096 -0.762 3.147 1.00 70.40 C ATOM 297 C GLY A2030 -7.109 0.492 2.268 1.00 35.20 C ATOM 298 O GLY A2030 -7.472 1.573 2.731 1.00 72.23 O ATOM 0 H GLY A2030 -7.623 -2.667 2.449 1.00 33.21 H new ATOM 0 HA2 GLY A2030 -7.353 -0.495 4.172 1.00 70.40 H new ATOM 0 HA3 GLY A2030 -6.091 -1.184 3.170 1.00 70.40 H new ATOM 302 N LEU A2031 -6.711 0.306 1.020 1.00 1.42 N ATOM 303 CA LEU A2031 -6.671 1.409 0.075 1.00 43.04 C ATOM 304 C LEU A2031 -8.066 2.029 -0.036 1.00 2.03 C ATOM 305 O LEU A2031 -8.198 3.231 -0.257 1.00 72.55 O ATOM 306 CB LEU A2031 -6.097 0.944 -1.265 1.00 40.04 C ATOM 307 CG LEU A2031 -5.218 1.956 -2.003 1.00 63.54 C ATOM 308 CD1 LEU A2031 -4.278 2.679 -1.034 1.00 64.42 C ATOM 309 CD2 LEU A2031 -4.455 1.287 -3.148 1.00 53.15 C ATOM 0 H LEU A2031 -6.413 -0.592 0.640 1.00 1.42 H new ATOM 0 HA LEU A2031 -6.000 2.192 0.429 1.00 43.04 H new ATOM 0 HB2 LEU A2031 -5.512 0.041 -1.094 1.00 40.04 H new ATOM 0 HB3 LEU A2031 -6.926 0.668 -1.917 1.00 40.04 H new ATOM 0 HG LEU A2031 -5.867 2.712 -2.445 1.00 63.54 H new ATOM 0 HD11 LEU A2031 -3.665 3.392 -1.585 1.00 64.42 H new ATOM 0 HD12 LEU A2031 -4.866 3.209 -0.284 1.00 64.42 H new ATOM 0 HD13 LEU A2031 -3.633 1.951 -0.541 1.00 64.42 H new ATOM 0 HD21 LEU A2031 -3.838 2.028 -3.656 1.00 53.15 H new ATOM 0 HD22 LEU A2031 -3.819 0.497 -2.749 1.00 53.15 H new ATOM 0 HD23 LEU A2031 -5.164 0.858 -3.856 1.00 53.15 H new ATOM 321 N GLU A2032 -9.071 1.180 0.122 1.00 12.14 N ATOM 322 CA GLU A2032 -10.451 1.630 0.043 1.00 51.20 C ATOM 323 C GLU A2032 -10.691 2.779 1.024 1.00 22.10 C ATOM 324 O GLU A2032 -11.176 3.841 0.635 1.00 32.55 O ATOM 325 CB GLU A2032 -11.419 0.474 0.305 1.00 52.33 C ATOM 326 CG GLU A2032 -12.004 -0.056 -1.006 1.00 2.02 C ATOM 327 CD GLU A2032 -13.505 -0.324 -0.868 1.00 53.51 C ATOM 328 OE1 GLU A2032 -13.903 -1.320 -0.249 1.00 34.15 O ATOM 329 OE2 GLU A2032 -14.267 0.550 -1.433 1.00 71.03 O ATOM 0 H GLU A2032 -8.957 0.183 0.304 1.00 12.14 H new ATOM 0 HA GLU A2032 -10.637 1.996 -0.967 1.00 51.20 H new ATOM 0 HB2 GLU A2032 -10.899 -0.329 0.827 1.00 52.33 H new ATOM 0 HB3 GLU A2032 -12.225 0.810 0.958 1.00 52.33 H new ATOM 0 HG2 GLU A2032 -11.832 0.667 -1.804 1.00 2.02 H new ATOM 0 HG3 GLU A2032 -11.492 -0.975 -1.292 1.00 2.02 H new ATOM 337 N GLU A2033 -10.339 2.529 2.277 1.00 11.11 N ATOM 338 CA GLU A2033 -10.510 3.530 3.317 1.00 63.34 C ATOM 339 C GLU A2033 -9.545 4.697 3.096 1.00 24.44 C ATOM 340 O GLU A2033 -9.954 5.855 3.096 1.00 33.40 O ATOM 341 CB GLU A2033 -10.323 2.917 4.706 1.00 42.33 C ATOM 342 CG GLU A2033 -10.327 3.998 5.787 1.00 31.44 C ATOM 343 CD GLU A2033 -11.262 3.620 6.938 1.00 21.22 C ATOM 344 OE1 GLU A2033 -12.489 3.602 6.757 1.00 1.25 O ATOM 345 OE2 GLU A2033 -10.673 3.337 8.050 1.00 64.03 O ATOM 0 H GLU A2033 -9.936 1.648 2.596 1.00 11.11 H new ATOM 0 HA GLU A2033 -11.529 3.913 3.261 1.00 63.34 H new ATOM 0 HB2 GLU A2033 -11.120 2.200 4.901 1.00 42.33 H new ATOM 0 HB3 GLU A2033 -9.383 2.366 4.741 1.00 42.33 H new ATOM 0 HG2 GLU A2033 -9.316 4.140 6.167 1.00 31.44 H new ATOM 0 HG3 GLU A2033 -10.642 4.948 5.355 1.00 31.44 H new ATOM 353 N ALA A2034 -8.279 4.347 2.914 1.00 2.42 N ATOM 354 CA ALA A2034 -7.251 5.349 2.692 1.00 42.02 C ATOM 355 C ALA A2034 -7.660 6.244 1.520 1.00 21.04 C ATOM 356 O ALA A2034 -7.618 7.468 1.625 1.00 2.33 O ATOM 357 CB ALA A2034 -5.907 4.659 2.456 1.00 4.14 C ATOM 0 H ALA A2034 -7.943 3.384 2.916 1.00 2.42 H new ATOM 0 HA ALA A2034 -7.141 5.985 3.570 1.00 42.02 H new ATOM 0 HB1 ALA A2034 -5.136 5.411 2.289 1.00 4.14 H new ATOM 0 HB2 ALA A2034 -5.647 4.060 3.329 1.00 4.14 H new ATOM 0 HB3 ALA A2034 -5.978 4.013 1.581 1.00 4.14 H new ATOM 363 N SER A2035 -8.047 5.597 0.432 1.00 64.45 N ATOM 364 CA SER A2035 -8.463 6.318 -0.761 1.00 13.44 C ATOM 365 C SER A2035 -9.610 7.271 -0.419 1.00 11.31 C ATOM 366 O SER A2035 -9.598 8.432 -0.825 1.00 40.23 O ATOM 367 CB SER A2035 -8.887 5.353 -1.869 1.00 32.40 C ATOM 368 OG SER A2035 -7.767 4.795 -2.548 1.00 4.41 O ATOM 0 H SER A2035 -8.082 4.581 0.350 1.00 64.45 H new ATOM 0 HA SER A2035 -7.614 6.895 -1.127 1.00 13.44 H new ATOM 0 HB2 SER A2035 -9.488 4.551 -1.441 1.00 32.40 H new ATOM 0 HB3 SER A2035 -9.520 5.878 -2.584 1.00 32.40 H new ATOM 0 HG SER A2035 -6.975 5.346 -2.380 1.00 4.41 H new ATOM 374 N ARG A2036 -10.574 6.746 0.324 1.00 45.11 N ATOM 375 CA ARG A2036 -11.725 7.538 0.722 1.00 60.22 C ATOM 376 C ARG A2036 -11.277 8.756 1.534 1.00 12.04 C ATOM 377 O ARG A2036 -11.884 9.822 1.444 1.00 55.10 O ATOM 378 CB ARG A2036 -12.700 6.707 1.560 1.00 2.15 C ATOM 379 CG ARG A2036 -13.850 6.179 0.700 1.00 55.31 C ATOM 380 CD ARG A2036 -15.203 6.592 1.281 1.00 11.35 C ATOM 381 NE ARG A2036 -16.207 5.533 1.030 1.00 53.22 N ATOM 382 CZ ARG A2036 -16.183 4.315 1.612 1.00 35.13 C ATOM 383 NH1 ARG A2036 -15.207 3.992 2.487 1.00 40.35 N ATOM 384 NH2 ARG A2036 -17.131 3.445 1.315 1.00 34.41 N ATOM 0 H ARG A2036 -10.581 5.783 0.660 1.00 45.11 H new ATOM 0 HA ARG A2036 -12.231 7.868 -0.185 1.00 60.22 H new ATOM 0 HB2 ARG A2036 -12.171 5.872 2.018 1.00 2.15 H new ATOM 0 HB3 ARG A2036 -13.098 7.316 2.372 1.00 2.15 H new ATOM 0 HG2 ARG A2036 -13.754 6.562 -0.316 1.00 55.31 H new ATOM 0 HG3 ARG A2036 -13.793 5.092 0.638 1.00 55.31 H new ATOM 0 HD2 ARG A2036 -15.109 6.769 2.352 1.00 11.35 H new ATOM 0 HD3 ARG A2036 -15.531 7.529 0.831 1.00 11.35 H new ATOM 0 HE ARG A2036 -16.964 5.736 0.377 1.00 53.22 H new ATOM 0 HH11 ARG A2036 -14.480 4.671 2.713 1.00 40.35 H new ATOM 0 HH12 ARG A2036 -15.197 3.069 2.922 1.00 40.35 H new ATOM 0 HH21 ARG A2036 -17.866 3.698 0.655 1.00 34.41 H new ATOM 0 HH22 ARG A2036 -17.128 2.520 1.746 1.00 34.41 H new ATOM 396 N LEU A2037 -10.220 8.556 2.305 1.00 50.04 N ATOM 397 CA LEU A2037 -9.683 9.625 3.131 1.00 51.24 C ATOM 398 C LEU A2037 -9.026 10.675 2.234 1.00 54.42 C ATOM 399 O LEU A2037 -9.062 11.867 2.538 1.00 71.41 O ATOM 400 CB LEU A2037 -8.748 9.058 4.201 1.00 33.52 C ATOM 401 CG LEU A2037 -9.381 8.079 5.191 1.00 4.55 C ATOM 402 CD1 LEU A2037 -8.437 6.907 5.480 1.00 11.33 C ATOM 403 CD2 LEU A2037 -9.812 8.794 6.472 1.00 3.30 C ATOM 0 H LEU A2037 -9.720 7.670 2.376 1.00 50.04 H new ATOM 0 HA LEU A2037 -10.484 10.126 3.674 1.00 51.24 H new ATOM 0 HB2 LEU A2037 -7.919 8.555 3.702 1.00 33.52 H new ATOM 0 HB3 LEU A2037 -8.324 9.890 4.763 1.00 33.52 H new ATOM 0 HG LEU A2037 -10.281 7.666 4.735 1.00 4.55 H new ATOM 0 HD11 LEU A2037 -8.910 6.225 6.187 1.00 11.33 H new ATOM 0 HD12 LEU A2037 -8.221 6.377 4.553 1.00 11.33 H new ATOM 0 HD13 LEU A2037 -7.508 7.285 5.907 1.00 11.33 H new ATOM 0 HD21 LEU A2037 -10.259 8.074 7.158 1.00 3.30 H new ATOM 0 HD22 LEU A2037 -8.942 9.253 6.943 1.00 3.30 H new ATOM 0 HD23 LEU A2037 -10.543 9.566 6.230 1.00 3.30 H new ATOM 415 N TYR A2038 -8.440 10.195 1.146 1.00 62.33 N ATOM 416 CA TYR A2038 -7.775 11.078 0.204 1.00 64.24 C ATOM 417 C TYR A2038 -8.780 11.696 -0.771 1.00 60.04 C ATOM 418 O TYR A2038 -8.849 12.917 -0.906 1.00 50.10 O ATOM 419 CB TYR A2038 -6.798 10.200 -0.580 1.00 22.12 C ATOM 420 CG TYR A2038 -5.980 10.958 -1.628 1.00 63.34 C ATOM 421 CD1 TYR A2038 -4.986 11.829 -1.232 1.00 5.33 C ATOM 422 CD2 TYR A2038 -6.240 10.772 -2.971 1.00 31.01 C ATOM 423 CE1 TYR A2038 -4.217 12.542 -2.217 1.00 40.21 C ATOM 424 CE2 TYR A2038 -5.471 11.486 -3.957 1.00 65.13 C ATOM 425 CZ TYR A2038 -4.497 12.337 -3.532 1.00 11.12 C ATOM 426 OH TYR A2038 -3.772 13.011 -4.464 1.00 23.11 O ATOM 0 H TYR A2038 -8.412 9.206 0.897 1.00 62.33 H new ATOM 0 HA TYR A2038 -7.277 11.893 0.729 1.00 64.24 H new ATOM 0 HB2 TYR A2038 -6.115 9.720 0.121 1.00 22.12 H new ATOM 0 HB3 TYR A2038 -7.357 9.406 -1.075 1.00 22.12 H new ATOM 0 HD1 TYR A2038 -4.785 11.976 -0.181 1.00 5.33 H new ATOM 0 HD2 TYR A2038 -7.019 10.092 -3.282 1.00 31.01 H new ATOM 0 HE1 TYR A2038 -3.435 13.225 -1.919 1.00 40.21 H new ATOM 0 HE2 TYR A2038 -5.663 11.349 -5.011 1.00 65.13 H new ATOM 0 HH TYR A2038 -4.082 12.764 -5.360 1.00 23.11 H new ATOM 436 N PHE A2039 -9.534 10.826 -1.425 1.00 23.23 N ATOM 437 CA PHE A2039 -10.532 11.270 -2.383 1.00 51.55 C ATOM 438 C PHE A2039 -11.740 11.884 -1.673 1.00 2.14 C ATOM 439 O PHE A2039 -12.207 12.955 -2.049 1.00 53.12 O ATOM 440 CB PHE A2039 -10.986 10.034 -3.162 1.00 73.03 C ATOM 441 CG PHE A2039 -9.952 9.513 -4.161 1.00 40.41 C ATOM 442 CD1 PHE A2039 -9.721 10.191 -5.317 1.00 72.44 C ATOM 443 CD2 PHE A2039 -9.265 8.371 -3.895 1.00 3.45 C ATOM 444 CE1 PHE A2039 -8.761 9.708 -6.245 1.00 33.14 C ATOM 445 CE2 PHE A2039 -8.304 7.887 -4.822 1.00 22.34 C ATOM 446 CZ PHE A2039 -8.072 8.565 -5.978 1.00 53.32 C ATOM 0 H PHE A2039 -9.474 9.814 -1.310 1.00 23.23 H new ATOM 0 HA PHE A2039 -10.106 12.030 -3.038 1.00 51.55 H new ATOM 0 HB2 PHE A2039 -11.225 9.240 -2.455 1.00 73.03 H new ATOM 0 HB3 PHE A2039 -11.905 10.272 -3.697 1.00 73.03 H new ATOM 0 HD1 PHE A2039 -10.268 11.098 -5.529 1.00 72.44 H new ATOM 0 HD2 PHE A2039 -9.450 7.831 -2.978 1.00 3.45 H new ATOM 0 HE1 PHE A2039 -8.578 10.247 -7.162 1.00 33.14 H new ATOM 0 HE2 PHE A2039 -7.757 6.980 -4.609 1.00 22.34 H new ATOM 0 HZ PHE A2039 -7.342 8.197 -6.683 1.00 53.32 H new ATOM 456 N GLY A2040 -12.208 11.176 -0.654 1.00 52.44 N ATOM 457 CA GLY A2040 -13.352 11.638 0.114 1.00 71.22 C ATOM 458 C GLY A2040 -13.012 12.908 0.895 1.00 23.12 C ATOM 459 O GLY A2040 -13.656 13.941 0.720 1.00 64.41 O ATOM 0 H GLY A2040 -11.816 10.287 -0.343 1.00 52.44 H new ATOM 0 HA2 GLY A2040 -14.190 11.832 -0.556 1.00 71.22 H new ATOM 0 HA3 GLY A2040 -13.670 10.857 0.804 1.00 71.22 H new ATOM 463 N GLU A2041 -12.000 12.790 1.742 1.00 43.00 N ATOM 464 CA GLU A2041 -11.567 13.917 2.551 1.00 4.41 C ATOM 465 C GLU A2041 -10.155 14.350 2.146 1.00 35.21 C ATOM 466 O GLU A2041 -9.602 13.843 1.172 1.00 23.43 O ATOM 467 CB GLU A2041 -11.629 13.579 4.042 1.00 11.25 C ATOM 468 CG GLU A2041 -12.366 14.668 4.822 1.00 50.14 C ATOM 469 CD GLU A2041 -13.825 14.770 4.374 1.00 40.43 C ATOM 470 OE1 GLU A2041 -14.304 15.873 4.067 1.00 71.34 O ATOM 471 OE2 GLU A2041 -14.469 13.653 4.351 1.00 0.15 O ATOM 0 H GLU A2041 -11.468 11.932 1.886 1.00 43.00 H new ATOM 0 HA GLU A2041 -12.248 14.749 2.372 1.00 4.41 H new ATOM 0 HB2 GLU A2041 -12.134 12.623 4.181 1.00 11.25 H new ATOM 0 HB3 GLU A2041 -10.619 13.466 4.435 1.00 11.25 H new ATOM 0 HG2 GLU A2041 -12.324 14.448 5.889 1.00 50.14 H new ATOM 0 HG3 GLU A2041 -11.868 15.626 4.674 1.00 50.14 H new ATOM 479 N ARG A2042 -9.613 15.281 2.915 1.00 55.03 N ATOM 480 CA ARG A2042 -8.277 15.788 2.649 1.00 43.22 C ATOM 481 C ARG A2042 -7.339 15.446 3.808 1.00 10.25 C ATOM 482 O ARG A2042 -6.375 16.165 4.063 1.00 1.25 O ATOM 483 CB ARG A2042 -8.294 17.305 2.445 1.00 23.31 C ATOM 484 CG ARG A2042 -9.312 17.703 1.376 1.00 71.32 C ATOM 485 CD ARG A2042 -9.089 16.912 0.085 1.00 34.24 C ATOM 486 NE ARG A2042 -9.715 17.618 -1.056 1.00 31.41 N ATOM 487 CZ ARG A2042 -9.963 17.049 -2.254 1.00 23.32 C ATOM 488 NH1 ARG A2042 -9.642 15.758 -2.479 1.00 40.01 N ATOM 489 NH2 ARG A2042 -10.525 17.773 -3.203 1.00 75.22 N ATOM 0 H ARG A2042 -10.074 15.698 3.723 1.00 55.03 H new ATOM 0 HA ARG A2042 -7.918 15.314 1.735 1.00 43.22 H new ATOM 0 HB2 ARG A2042 -8.537 17.799 3.386 1.00 23.31 H new ATOM 0 HB3 ARG A2042 -7.301 17.647 2.152 1.00 23.31 H new ATOM 0 HG2 ARG A2042 -10.322 17.525 1.746 1.00 71.32 H new ATOM 0 HG3 ARG A2042 -9.231 18.771 1.171 1.00 71.32 H new ATOM 0 HD2 ARG A2042 -8.021 16.788 -0.095 1.00 34.24 H new ATOM 0 HD3 ARG A2042 -9.514 15.913 0.183 1.00 34.24 H new ATOM 0 HE ARG A2042 -9.975 18.596 -0.928 1.00 31.41 H new ATOM 0 HH11 ARG A2042 -9.208 15.204 -1.740 1.00 40.01 H new ATOM 0 HH12 ARG A2042 -9.833 15.336 -3.388 1.00 40.01 H new ATOM 0 HH21 ARG A2042 -10.765 18.748 -3.026 1.00 75.22 H new ATOM 0 HH22 ARG A2042 -10.719 17.358 -4.114 1.00 75.22 H new ATOM 501 N ASN A2043 -7.654 14.348 4.479 1.00 41.21 N ATOM 502 CA ASN A2043 -6.852 13.902 5.603 1.00 0.33 C ATOM 503 C ASN A2043 -5.853 12.846 5.125 1.00 0.13 C ATOM 504 O ASN A2043 -6.153 11.654 5.130 1.00 32.42 O ATOM 505 CB ASN A2043 -7.726 13.268 6.688 1.00 62.30 C ATOM 506 CG ASN A2043 -7.390 13.838 8.068 1.00 63.51 C ATOM 507 OD1 ASN A2043 -6.509 14.668 8.227 1.00 74.43 O ATOM 508 ND2 ASN A2043 -8.136 13.346 9.052 1.00 52.11 N ATOM 0 H ASN A2043 -8.455 13.754 4.265 1.00 41.21 H new ATOM 0 HA ASN A2043 -6.339 14.771 6.015 1.00 0.33 H new ATOM 0 HB2 ASN A2043 -8.777 13.447 6.463 1.00 62.30 H new ATOM 0 HB3 ASN A2043 -7.580 12.188 6.692 1.00 62.30 H new ATOM 0 HD21 ASN A2043 -7.988 13.661 10.011 1.00 52.11 H new ATOM 0 HD22 ASN A2043 -8.857 12.653 8.848 1.00 52.11 H new ATOM 515 N VAL A2044 -4.683 13.324 4.725 1.00 2.34 N ATOM 516 CA VAL A2044 -3.638 12.436 4.246 1.00 64.32 C ATOM 517 C VAL A2044 -3.162 11.545 5.395 1.00 25.31 C ATOM 518 O VAL A2044 -2.423 10.586 5.177 1.00 3.40 O ATOM 519 CB VAL A2044 -2.506 13.253 3.615 1.00 60.41 C ATOM 520 CG1 VAL A2044 -1.199 12.460 3.606 1.00 52.22 C ATOM 521 CG2 VAL A2044 -2.880 13.709 2.203 1.00 32.34 C ATOM 0 H VAL A2044 -4.436 14.314 4.723 1.00 2.34 H new ATOM 0 HA VAL A2044 -4.024 11.780 3.466 1.00 64.32 H new ATOM 0 HB VAL A2044 -2.354 14.143 4.225 1.00 60.41 H new ATOM 0 HG11 VAL A2044 -0.411 13.062 3.153 1.00 52.22 H new ATOM 0 HG12 VAL A2044 -0.920 12.207 4.629 1.00 52.22 H new ATOM 0 HG13 VAL A2044 -1.333 11.545 3.030 1.00 52.22 H new ATOM 0 HG21 VAL A2044 -2.059 14.287 1.778 1.00 32.34 H new ATOM 0 HG22 VAL A2044 -3.072 12.837 1.578 1.00 32.34 H new ATOM 0 HG23 VAL A2044 -3.776 14.329 2.246 1.00 32.34 H new ATOM 531 N LYS A2045 -3.608 11.893 6.594 1.00 61.24 N ATOM 532 CA LYS A2045 -3.237 11.137 7.778 1.00 61.25 C ATOM 533 C LYS A2045 -3.970 9.794 7.770 1.00 12.44 C ATOM 534 O LYS A2045 -3.395 8.766 8.123 1.00 42.41 O ATOM 535 CB LYS A2045 -3.484 11.965 9.040 1.00 11.42 C ATOM 536 CG LYS A2045 -4.964 12.328 9.176 1.00 31.44 C ATOM 537 CD LYS A2045 -5.667 11.402 10.170 1.00 12.41 C ATOM 538 CE LYS A2045 -5.418 11.851 11.611 1.00 32.21 C ATOM 539 NZ LYS A2045 -6.299 11.113 12.544 1.00 11.53 N ATOM 0 H LYS A2045 -4.222 12.688 6.770 1.00 61.24 H new ATOM 0 HA LYS A2045 -2.169 10.918 7.772 1.00 61.25 H new ATOM 0 HB2 LYS A2045 -3.161 11.403 9.917 1.00 11.42 H new ATOM 0 HB3 LYS A2045 -2.884 12.875 9.006 1.00 11.42 H new ATOM 0 HG2 LYS A2045 -5.059 13.362 9.507 1.00 31.44 H new ATOM 0 HG3 LYS A2045 -5.450 12.259 8.203 1.00 31.44 H new ATOM 0 HD2 LYS A2045 -6.738 11.393 9.968 1.00 12.41 H new ATOM 0 HD3 LYS A2045 -5.309 10.381 10.037 1.00 12.41 H new ATOM 0 HE2 LYS A2045 -4.374 11.681 11.876 1.00 32.21 H new ATOM 0 HE3 LYS A2045 -5.599 12.922 11.701 1.00 32.21 H new ATOM 0 HZ1 LYS A2045 -6.117 11.430 13.518 1.00 11.53 H new ATOM 0 HZ2 LYS A2045 -7.293 11.296 12.301 1.00 11.53 H new ATOM 0 HZ3 LYS A2045 -6.107 10.094 12.470 1.00 11.53 H new ATOM 552 N GLY A2046 -5.230 9.846 7.363 1.00 24.45 N ATOM 553 CA GLY A2046 -6.048 8.646 7.304 1.00 62.24 C ATOM 554 C GLY A2046 -5.406 7.589 6.402 1.00 65.41 C ATOM 555 O GLY A2046 -5.155 6.467 6.838 1.00 23.31 O ATOM 0 H GLY A2046 -5.705 10.700 7.071 1.00 24.45 H new ATOM 0 HA2 GLY A2046 -6.180 8.242 8.308 1.00 62.24 H new ATOM 0 HA3 GLY A2046 -7.040 8.896 6.928 1.00 62.24 H new ATOM 559 N MET A2047 -5.158 7.986 5.163 1.00 43.12 N ATOM 560 CA MET A2047 -4.551 7.086 4.196 1.00 14.00 C ATOM 561 C MET A2047 -3.211 6.555 4.709 1.00 43.23 C ATOM 562 O MET A2047 -2.948 5.356 4.639 1.00 45.40 O ATOM 563 CB MET A2047 -4.333 7.827 2.875 1.00 72.04 C ATOM 564 CG MET A2047 -4.187 9.333 3.108 1.00 22.52 C ATOM 565 SD MET A2047 -3.205 10.059 1.807 1.00 23.20 S ATOM 566 CE MET A2047 -1.661 9.202 2.068 1.00 3.02 C ATOM 0 H MET A2047 -5.366 8.919 4.806 1.00 43.12 H new ATOM 0 HA MET A2047 -5.222 6.241 4.043 1.00 14.00 H new ATOM 0 HB2 MET A2047 -3.440 7.443 2.382 1.00 72.04 H new ATOM 0 HB3 MET A2047 -5.172 7.639 2.206 1.00 72.04 H new ATOM 0 HG2 MET A2047 -5.171 9.802 3.137 1.00 22.52 H new ATOM 0 HG3 MET A2047 -3.718 9.516 4.075 1.00 22.52 H new ATOM 0 HE1 MET A2047 -0.833 9.848 1.778 1.00 3.02 H new ATOM 0 HE2 MET A2047 -1.564 8.939 3.121 1.00 3.02 H new ATOM 0 HE3 MET A2047 -1.642 8.294 1.465 1.00 3.02 H new ATOM 576 N PHE A2048 -2.400 7.473 5.213 1.00 64.13 N ATOM 577 CA PHE A2048 -1.094 7.111 5.737 1.00 41.11 C ATOM 578 C PHE A2048 -1.227 6.279 7.013 1.00 61.42 C ATOM 579 O PHE A2048 -0.447 5.355 7.241 1.00 65.13 O ATOM 580 CB PHE A2048 -0.367 8.417 6.068 1.00 63.21 C ATOM 581 CG PHE A2048 0.342 9.055 4.870 1.00 30.14 C ATOM 582 CD1 PHE A2048 0.876 8.269 3.898 1.00 20.34 C ATOM 583 CD2 PHE A2048 0.439 10.409 4.781 1.00 30.04 C ATOM 584 CE1 PHE A2048 1.535 8.860 2.789 1.00 71.41 C ATOM 585 CE2 PHE A2048 1.097 11.001 3.671 1.00 41.52 C ATOM 586 CZ PHE A2048 1.631 10.215 2.698 1.00 64.11 C ATOM 0 H PHE A2048 -2.622 8.467 5.270 1.00 64.13 H new ATOM 0 HA PHE A2048 -0.550 6.517 5.003 1.00 41.11 H new ATOM 0 HB2 PHE A2048 -1.086 9.129 6.473 1.00 63.21 H new ATOM 0 HB3 PHE A2048 0.366 8.224 6.851 1.00 63.21 H new ATOM 0 HD1 PHE A2048 0.799 7.194 3.970 1.00 20.34 H new ATOM 0 HD2 PHE A2048 0.016 11.033 5.554 1.00 30.04 H new ATOM 0 HE1 PHE A2048 1.960 8.235 2.017 1.00 71.41 H new ATOM 0 HE2 PHE A2048 1.174 12.076 3.599 1.00 41.52 H new ATOM 0 HZ PHE A2048 2.131 10.666 1.853 1.00 64.11 H new ATOM 596 N GLU A2049 -2.220 6.635 7.814 1.00 61.03 N ATOM 597 CA GLU A2049 -2.466 5.932 9.061 1.00 45.41 C ATOM 598 C GLU A2049 -3.126 4.579 8.786 1.00 75.12 C ATOM 599 O GLU A2049 -3.195 3.726 9.670 1.00 54.34 O ATOM 600 CB GLU A2049 -3.319 6.777 10.009 1.00 52.14 C ATOM 601 CG GLU A2049 -2.577 8.047 10.429 1.00 45.34 C ATOM 602 CD GLU A2049 -1.743 7.804 11.689 1.00 32.32 C ATOM 603 OE1 GLU A2049 -2.218 8.058 12.806 1.00 64.32 O ATOM 604 OE2 GLU A2049 -0.562 7.332 11.477 1.00 12.45 O ATOM 0 H GLU A2049 -2.864 7.402 7.623 1.00 61.03 H new ATOM 0 HA GLU A2049 -1.508 5.754 9.550 1.00 45.41 H new ATOM 0 HB2 GLU A2049 -4.256 7.044 9.521 1.00 52.14 H new ATOM 0 HB3 GLU A2049 -3.575 6.192 10.892 1.00 52.14 H new ATOM 0 HG2 GLU A2049 -1.929 8.379 9.618 1.00 45.34 H new ATOM 0 HG3 GLU A2049 -3.294 8.848 10.612 1.00 45.34 H new ATOM 612 N VAL A2050 -3.599 4.425 7.559 1.00 73.21 N ATOM 613 CA VAL A2050 -4.253 3.192 7.156 1.00 22.03 C ATOM 614 C VAL A2050 -3.193 2.178 6.720 1.00 13.02 C ATOM 615 O VAL A2050 -3.265 1.005 7.085 1.00 42.33 O ATOM 616 CB VAL A2050 -5.290 3.480 6.069 1.00 13.31 C ATOM 617 CG1 VAL A2050 -5.687 2.195 5.337 1.00 74.32 C ATOM 618 CG2 VAL A2050 -6.519 4.179 6.655 1.00 45.22 C ATOM 0 H VAL A2050 -3.542 5.135 6.829 1.00 73.21 H new ATOM 0 HA VAL A2050 -4.796 2.755 7.994 1.00 22.03 H new ATOM 0 HB VAL A2050 -4.836 4.154 5.342 1.00 13.31 H new ATOM 0 HG11 VAL A2050 -6.425 2.427 4.569 1.00 74.32 H new ATOM 0 HG12 VAL A2050 -4.805 1.754 4.871 1.00 74.32 H new ATOM 0 HG13 VAL A2050 -6.113 1.488 6.049 1.00 74.32 H new ATOM 0 HG21 VAL A2050 -7.241 4.372 5.861 1.00 45.22 H new ATOM 0 HG22 VAL A2050 -6.974 3.540 7.412 1.00 45.22 H new ATOM 0 HG23 VAL A2050 -6.218 5.123 7.110 1.00 45.22 H new ATOM 628 N LEU A2051 -2.237 2.666 5.945 1.00 25.42 N ATOM 629 CA LEU A2051 -1.165 1.817 5.454 1.00 62.01 C ATOM 630 C LEU A2051 -0.161 1.565 6.582 1.00 73.10 C ATOM 631 O LEU A2051 0.254 0.430 6.806 1.00 25.02 O ATOM 632 CB LEU A2051 -0.536 2.419 4.195 1.00 14.10 C ATOM 633 CG LEU A2051 -1.477 2.617 3.006 1.00 32.31 C ATOM 634 CD1 LEU A2051 -2.937 2.437 3.426 1.00 21.41 C ATOM 635 CD2 LEU A2051 -1.236 3.971 2.335 1.00 63.14 C ATOM 0 H LEU A2051 -2.182 3.639 5.644 1.00 25.42 H new ATOM 0 HA LEU A2051 -1.558 0.846 5.153 1.00 62.01 H new ATOM 0 HB2 LEU A2051 -0.103 3.385 4.455 1.00 14.10 H new ATOM 0 HB3 LEU A2051 0.286 1.776 3.880 1.00 14.10 H new ATOM 0 HG LEU A2051 -1.258 1.848 2.266 1.00 32.31 H new ATOM 0 HD11 LEU A2051 -3.585 2.583 2.562 1.00 21.41 H new ATOM 0 HD12 LEU A2051 -3.081 1.431 3.821 1.00 21.41 H new ATOM 0 HD13 LEU A2051 -3.187 3.168 4.195 1.00 21.41 H new ATOM 0 HD21 LEU A2051 -1.918 4.086 1.493 1.00 63.14 H new ATOM 0 HD22 LEU A2051 -1.411 4.770 3.055 1.00 63.14 H new ATOM 0 HD23 LEU A2051 -0.207 4.022 1.978 1.00 63.14 H new ATOM 647 N GLU A2052 0.196 2.643 7.263 1.00 61.10 N ATOM 648 CA GLU A2052 1.141 2.555 8.363 1.00 43.30 C ATOM 649 C GLU A2052 0.956 1.238 9.118 1.00 52.41 C ATOM 650 O GLU A2052 1.902 0.469 9.273 1.00 1.32 O ATOM 651 CB GLU A2052 1.000 3.753 9.305 1.00 32.32 C ATOM 652 CG GLU A2052 2.229 4.661 9.225 1.00 11.44 C ATOM 653 CD GLU A2052 2.311 5.580 10.445 1.00 74.40 C ATOM 654 OE1 GLU A2052 2.595 5.112 11.557 1.00 43.51 O ATOM 655 OE2 GLU A2052 2.066 6.825 10.207 1.00 64.14 O ATOM 0 H GLU A2052 -0.152 3.583 7.074 1.00 61.10 H new ATOM 0 HA GLU A2052 2.150 2.576 7.952 1.00 43.30 H new ATOM 0 HB2 GLU A2052 0.106 4.321 9.046 1.00 32.32 H new ATOM 0 HB3 GLU A2052 0.869 3.402 10.329 1.00 32.32 H new ATOM 0 HG2 GLU A2052 3.131 4.053 9.162 1.00 11.44 H new ATOM 0 HG3 GLU A2052 2.184 5.261 8.316 1.00 11.44 H new ATOM 663 N PRO A2053 -0.305 1.012 9.580 1.00 43.41 N ATOM 664 CA PRO A2053 -0.626 -0.198 10.314 1.00 33.12 C ATOM 665 C PRO A2053 -0.717 -1.403 9.374 1.00 74.21 C ATOM 666 O PRO A2053 -0.091 -2.433 9.616 1.00 20.25 O ATOM 667 CB PRO A2053 -1.937 0.106 11.018 1.00 73.13 C ATOM 668 CG PRO A2053 -2.537 1.298 10.288 1.00 63.02 C ATOM 669 CD PRO A2053 -1.449 1.902 9.413 1.00 71.30 C ATOM 0 HA PRO A2053 0.145 -0.469 11.035 1.00 33.12 H new ATOM 0 HB2 PRO A2053 -2.608 -0.752 10.981 1.00 73.13 H new ATOM 0 HB3 PRO A2053 -1.771 0.336 12.070 1.00 73.13 H new ATOM 0 HG2 PRO A2053 -3.387 0.986 9.681 1.00 63.02 H new ATOM 0 HG3 PRO A2053 -2.908 2.035 11.000 1.00 63.02 H new ATOM 0 HD2 PRO A2053 -1.762 1.953 8.370 1.00 71.30 H new ATOM 0 HD3 PRO A2053 -1.209 2.919 9.724 1.00 71.30 H new ATOM 677 N LEU A2054 -1.502 -1.232 8.320 1.00 12.41 N ATOM 678 CA LEU A2054 -1.685 -2.291 7.343 1.00 10.31 C ATOM 679 C LEU A2054 -0.318 -2.848 6.941 1.00 61.43 C ATOM 680 O LEU A2054 -0.069 -4.046 7.068 1.00 4.34 O ATOM 681 CB LEU A2054 -2.518 -1.793 6.161 1.00 35.15 C ATOM 682 CG LEU A2054 -4.038 -1.846 6.341 1.00 12.24 C ATOM 683 CD1 LEU A2054 -4.754 -1.275 5.117 1.00 23.31 C ATOM 684 CD2 LEU A2054 -4.500 -3.268 6.666 1.00 61.24 C ATOM 0 H LEU A2054 -2.019 -0.375 8.122 1.00 12.41 H new ATOM 0 HA LEU A2054 -2.252 -3.115 7.776 1.00 10.31 H new ATOM 0 HB2 LEU A2054 -2.233 -0.762 5.950 1.00 35.15 H new ATOM 0 HB3 LEU A2054 -2.255 -2.383 5.283 1.00 35.15 H new ATOM 0 HG LEU A2054 -4.306 -1.218 7.191 1.00 12.24 H new ATOM 0 HD11 LEU A2054 -5.832 -1.324 5.270 1.00 23.31 H new ATOM 0 HD12 LEU A2054 -4.455 -0.237 4.972 1.00 23.31 H new ATOM 0 HD13 LEU A2054 -4.486 -1.856 4.235 1.00 23.31 H new ATOM 0 HD21 LEU A2054 -5.583 -3.279 6.789 1.00 61.24 H new ATOM 0 HD22 LEU A2054 -4.220 -3.936 5.852 1.00 61.24 H new ATOM 0 HD23 LEU A2054 -4.026 -3.602 7.589 1.00 61.24 H new ATOM 696 N HIS A2055 0.532 -1.952 6.462 1.00 41.00 N ATOM 697 CA HIS A2055 1.868 -2.339 6.039 1.00 33.01 C ATOM 698 C HIS A2055 2.617 -2.966 7.217 1.00 74.21 C ATOM 699 O HIS A2055 3.153 -4.068 7.101 1.00 61.44 O ATOM 700 CB HIS A2055 2.611 -1.146 5.431 1.00 70.22 C ATOM 701 CG HIS A2055 1.974 -0.601 4.176 1.00 21.34 C ATOM 702 ND1 HIS A2055 0.821 -0.952 3.538 1.00 10.05 N flip ATOM 703 CD2 HIS A2055 2.533 0.427 3.437 1.00 43.15 C flip ATOM 704 CE1 HIS A2055 0.682 -0.178 2.467 1.00 12.42 C flip ATOM 705 NE2 HIS A2055 1.743 0.677 2.403 1.00 25.35 N flip ATOM 0 H HIS A2055 0.322 -0.959 6.357 1.00 41.00 H new ATOM 0 HA HIS A2055 1.802 -3.091 5.253 1.00 33.01 H new ATOM 0 HB2 HIS A2055 2.667 -0.350 6.173 1.00 70.22 H new ATOM 0 HB3 HIS A2055 3.635 -1.445 5.206 1.00 70.22 H new ATOM 0 HD2 HIS A2055 3.456 0.939 3.665 1.00 43.15 H new ATOM 0 HE1 HIS A2055 -0.136 -0.219 1.763 1.00 12.42 H new ATOM 0 HE2 HIS A2055 1.901 1.384 1.685 1.00 25.35 H new ATOM 714 N ALA A2056 2.630 -2.239 8.323 1.00 11.12 N ATOM 715 CA ALA A2056 3.305 -2.709 9.520 1.00 62.51 C ATOM 716 C ALA A2056 2.831 -4.128 9.843 1.00 23.44 C ATOM 717 O ALA A2056 3.643 -5.013 10.112 1.00 31.52 O ATOM 718 CB ALA A2056 3.047 -1.734 10.670 1.00 3.32 C ATOM 0 H ALA A2056 2.183 -1.327 8.416 1.00 11.12 H new ATOM 0 HA ALA A2056 4.383 -2.748 9.362 1.00 62.51 H new ATOM 0 HB1 ALA A2056 3.554 -2.088 11.568 1.00 3.32 H new ATOM 0 HB2 ALA A2056 3.427 -0.748 10.403 1.00 3.32 H new ATOM 0 HB3 ALA A2056 1.976 -1.670 10.860 1.00 3.32 H new ATOM 724 N MET A2057 1.518 -4.302 9.805 1.00 65.43 N ATOM 725 CA MET A2057 0.925 -5.597 10.088 1.00 34.23 C ATOM 726 C MET A2057 1.574 -6.696 9.242 1.00 55.34 C ATOM 727 O MET A2057 1.792 -7.806 9.722 1.00 45.21 O ATOM 728 CB MET A2057 -0.577 -5.549 9.798 1.00 44.34 C ATOM 729 CG MET A2057 -0.961 -6.574 8.729 1.00 52.21 C ATOM 730 SD MET A2057 -2.728 -6.552 8.470 1.00 50.23 S ATOM 731 CE MET A2057 -2.797 -7.086 6.768 1.00 2.13 C ATOM 0 H MET A2057 0.848 -3.566 9.582 1.00 65.43 H new ATOM 0 HA MET A2057 1.093 -5.828 11.140 1.00 34.23 H new ATOM 0 HB2 MET A2057 -1.134 -5.747 10.714 1.00 44.34 H new ATOM 0 HB3 MET A2057 -0.855 -4.549 9.465 1.00 44.34 H new ATOM 0 HG2 MET A2057 -0.445 -6.349 7.795 1.00 52.21 H new ATOM 0 HG3 MET A2057 -0.642 -7.570 9.037 1.00 52.21 H new ATOM 0 HE1 MET A2057 -3.831 -7.299 6.495 1.00 2.13 H new ATOM 0 HE2 MET A2057 -2.406 -6.299 6.123 1.00 2.13 H new ATOM 0 HE3 MET A2057 -2.196 -7.987 6.645 1.00 2.13 H new ATOM 741 N MET A2058 1.864 -6.344 7.998 1.00 64.22 N ATOM 742 CA MET A2058 2.484 -7.286 7.080 1.00 54.32 C ATOM 743 C MET A2058 3.935 -7.564 7.477 1.00 31.15 C ATOM 744 O MET A2058 4.432 -8.673 7.285 1.00 52.11 O ATOM 745 CB MET A2058 2.443 -6.716 5.662 1.00 42.44 C ATOM 746 CG MET A2058 1.076 -6.103 5.355 1.00 23.34 C ATOM 747 SD MET A2058 0.628 -6.428 3.657 1.00 2.30 S ATOM 748 CE MET A2058 -0.929 -7.265 3.902 1.00 15.43 C ATOM 0 H MET A2058 1.682 -5.421 7.604 1.00 64.22 H new ATOM 0 HA MET A2058 1.930 -8.224 7.121 1.00 54.32 H new ATOM 0 HB2 MET A2058 3.219 -5.959 5.549 1.00 42.44 H new ATOM 0 HB3 MET A2058 2.661 -7.506 4.943 1.00 42.44 H new ATOM 0 HG2 MET A2058 0.323 -6.519 6.024 1.00 23.34 H new ATOM 0 HG3 MET A2058 1.102 -5.028 5.533 1.00 23.34 H new ATOM 0 HE1 MET A2058 -1.124 -7.925 3.057 1.00 15.43 H new ATOM 0 HE2 MET A2058 -0.886 -7.853 4.819 1.00 15.43 H new ATOM 0 HE3 MET A2058 -1.729 -6.529 3.980 1.00 15.43 H new ATOM 758 N GLU A2059 4.573 -6.541 8.026 1.00 75.42 N ATOM 759 CA GLU A2059 5.956 -6.662 8.452 1.00 12.22 C ATOM 760 C GLU A2059 6.052 -7.539 9.703 1.00 64.21 C ATOM 761 O GLU A2059 6.659 -8.607 9.671 1.00 32.05 O ATOM 762 CB GLU A2059 6.576 -5.285 8.700 1.00 50.40 C ATOM 763 CG GLU A2059 6.203 -4.306 7.584 1.00 24.24 C ATOM 764 CD GLU A2059 6.296 -4.976 6.212 1.00 23.35 C ATOM 765 OE1 GLU A2059 5.374 -5.705 5.814 1.00 2.34 O ATOM 766 OE2 GLU A2059 7.374 -4.720 5.552 1.00 75.25 O ATOM 0 H GLU A2059 4.157 -5.624 8.186 1.00 75.42 H new ATOM 0 HA GLU A2059 6.521 -7.140 7.652 1.00 12.22 H new ATOM 0 HB2 GLU A2059 6.234 -4.896 9.659 1.00 50.40 H new ATOM 0 HB3 GLU A2059 7.660 -5.376 8.761 1.00 50.40 H new ATOM 0 HG2 GLU A2059 5.190 -3.936 7.744 1.00 24.24 H new ATOM 0 HG3 GLU A2059 6.867 -3.442 7.616 1.00 24.24 H new ATOM 774 N ARG A2060 5.441 -7.054 10.775 1.00 24.11 N ATOM 775 CA ARG A2060 5.449 -7.781 12.032 1.00 14.20 C ATOM 776 C ARG A2060 4.516 -8.990 11.953 1.00 10.43 C ATOM 777 O ARG A2060 4.671 -9.948 12.709 1.00 14.12 O ATOM 778 CB ARG A2060 5.009 -6.882 13.190 1.00 40.20 C ATOM 779 CG ARG A2060 3.556 -6.437 13.019 1.00 65.52 C ATOM 780 CD ARG A2060 3.174 -5.392 14.070 1.00 61.43 C ATOM 781 NE ARG A2060 2.437 -6.036 15.181 1.00 61.23 N ATOM 782 CZ ARG A2060 3.027 -6.574 16.268 1.00 24.35 C ATOM 783 NH1 ARG A2060 4.371 -6.551 16.400 1.00 72.13 N ATOM 784 NH2 ARG A2060 2.271 -7.124 17.199 1.00 55.30 N ATOM 0 H ARG A2060 4.938 -6.167 10.798 1.00 24.11 H new ATOM 0 HA ARG A2060 6.470 -8.117 12.214 1.00 14.20 H new ATOM 0 HB2 ARG A2060 5.120 -7.417 14.133 1.00 40.20 H new ATOM 0 HB3 ARG A2060 5.657 -6.007 13.242 1.00 40.20 H new ATOM 0 HG2 ARG A2060 3.414 -6.023 12.021 1.00 65.52 H new ATOM 0 HG3 ARG A2060 2.896 -7.300 13.103 1.00 65.52 H new ATOM 0 HD2 ARG A2060 4.071 -4.904 14.452 1.00 61.43 H new ATOM 0 HD3 ARG A2060 2.558 -4.616 13.616 1.00 61.43 H new ATOM 0 HE ARG A2060 1.420 -6.075 15.121 1.00 61.23 H new ATOM 0 HH11 ARG A2060 4.947 -6.125 15.675 1.00 72.13 H new ATOM 0 HH12 ARG A2060 4.809 -6.960 17.225 1.00 72.13 H new ATOM 0 HH21 ARG A2060 1.257 -7.138 17.090 1.00 55.30 H new ATOM 0 HH22 ARG A2060 2.701 -7.536 18.028 1.00 55.30 H new ATOM 796 N GLY A2061 3.567 -8.907 11.031 1.00 43.45 N ATOM 797 CA GLY A2061 2.611 -9.983 10.843 1.00 72.11 C ATOM 798 C GLY A2061 2.773 -10.627 9.465 1.00 71.22 C ATOM 799 O GLY A2061 2.107 -10.233 8.509 1.00 73.44 O ATOM 0 H GLY A2061 3.441 -8.110 10.407 1.00 43.45 H new ATOM 0 HA2 GLY A2061 2.749 -10.736 11.619 1.00 72.11 H new ATOM 0 HA3 GLY A2061 1.598 -9.597 10.951 1.00 72.11 H new ATOM 803 N PRO A2062 3.686 -11.634 9.404 1.00 52.10 N ATOM 804 CA PRO A2062 3.943 -12.336 8.160 1.00 62.43 C ATOM 805 C PRO A2062 2.805 -13.303 7.827 1.00 32.55 C ATOM 806 O PRO A2062 1.719 -13.207 8.398 1.00 1.24 O ATOM 807 CB PRO A2062 5.274 -13.038 8.372 1.00 60.11 C ATOM 808 CG PRO A2062 5.485 -13.085 9.875 1.00 12.31 C ATOM 809 CD PRO A2062 4.492 -12.128 10.515 1.00 14.53 C ATOM 0 HA PRO A2062 3.992 -11.664 7.303 1.00 62.43 H new ATOM 0 HB2 PRO A2062 5.258 -14.042 7.948 1.00 60.11 H new ATOM 0 HB3 PRO A2062 6.083 -12.498 7.881 1.00 60.11 H new ATOM 0 HG2 PRO A2062 5.335 -14.097 10.250 1.00 12.31 H new ATOM 0 HG3 PRO A2062 6.507 -12.800 10.126 1.00 12.31 H new ATOM 0 HD2 PRO A2062 3.875 -12.635 11.257 1.00 14.53 H new ATOM 0 HD3 PRO A2062 5.002 -11.312 11.028 1.00 14.53 H new ATOM 817 N GLN A2063 3.090 -14.212 6.907 1.00 54.13 N ATOM 818 CA GLN A2063 2.103 -15.193 6.495 1.00 30.40 C ATOM 819 C GLN A2063 2.783 -16.523 6.163 1.00 44.21 C ATOM 820 O GLN A2063 2.669 -17.488 6.918 1.00 45.13 O ATOM 821 CB GLN A2063 1.287 -14.685 5.303 1.00 40.52 C ATOM 822 CG GLN A2063 -0.157 -15.187 5.373 1.00 1.32 C ATOM 823 CD GLN A2063 -1.039 -14.214 6.158 1.00 44.51 C ATOM 824 OE1 GLN A2063 -0.675 -13.721 7.212 1.00 74.20 O ATOM 825 NE2 GLN A2063 -2.213 -13.968 5.588 1.00 64.30 N ATOM 0 H GLN A2063 3.991 -14.289 6.435 1.00 54.13 H new ATOM 0 HA GLN A2063 1.414 -15.354 7.324 1.00 30.40 H new ATOM 0 HB2 GLN A2063 1.297 -13.595 5.289 1.00 40.52 H new ATOM 0 HB3 GLN A2063 1.747 -15.020 4.373 1.00 40.52 H new ATOM 0 HG2 GLN A2063 -0.552 -15.309 4.365 1.00 1.32 H new ATOM 0 HG3 GLN A2063 -0.182 -16.169 5.846 1.00 1.32 H new ATOM 0 HE21 GLN A2063 -2.454 -14.415 4.704 1.00 64.30 H new ATOM 0 HE22 GLN A2063 -2.873 -13.332 6.035 1.00 64.30 H new ATOM 834 N THR A2064 3.476 -16.532 5.033 1.00 11.44 N ATOM 835 CA THR A2064 4.176 -17.727 4.594 1.00 63.20 C ATOM 836 C THR A2064 5.328 -17.356 3.656 1.00 24.44 C ATOM 837 O THR A2064 5.348 -16.261 3.097 1.00 5.12 O ATOM 838 CB THR A2064 3.151 -18.667 3.956 1.00 24.34 C ATOM 839 OG1 THR A2064 2.430 -17.833 3.054 1.00 53.40 O ATOM 840 CG2 THR A2064 2.092 -19.141 4.953 1.00 54.31 C ATOM 0 H THR A2064 3.567 -15.731 4.409 1.00 11.44 H new ATOM 0 HA THR A2064 4.637 -18.247 5.434 1.00 63.20 H new ATOM 0 HB THR A2064 3.664 -19.531 3.533 1.00 24.34 H new ATOM 0 HG1 THR A2064 1.745 -18.363 2.595 1.00 53.40 H new ATOM 0 HG21 THR A2064 1.390 -19.805 4.449 1.00 54.31 H new ATOM 0 HG22 THR A2064 2.575 -19.676 5.770 1.00 54.31 H new ATOM 0 HG23 THR A2064 1.555 -18.280 5.351 1.00 54.31 H new ATOM 848 N LEU A2065 6.255 -18.292 3.512 1.00 12.12 N ATOM 849 CA LEU A2065 7.406 -18.077 2.653 1.00 32.30 C ATOM 850 C LEU A2065 6.931 -17.579 1.286 1.00 52.03 C ATOM 851 O LEU A2065 7.660 -16.874 0.591 1.00 54.34 O ATOM 852 CB LEU A2065 8.264 -19.342 2.579 1.00 33.33 C ATOM 853 CG LEU A2065 9.757 -19.158 2.864 1.00 32.22 C ATOM 854 CD1 LEU A2065 10.326 -17.988 2.060 1.00 61.11 C ATOM 855 CD2 LEU A2065 10.015 -19.002 4.364 1.00 22.20 C ATOM 0 H LEU A2065 6.232 -19.200 3.976 1.00 12.12 H new ATOM 0 HA LEU A2065 8.052 -17.304 3.070 1.00 32.30 H new ATOM 0 HB2 LEU A2065 7.866 -20.069 3.287 1.00 33.33 H new ATOM 0 HB3 LEU A2065 8.155 -19.773 1.584 1.00 33.33 H new ATOM 0 HG LEU A2065 10.280 -20.058 2.540 1.00 32.22 H new ATOM 0 HD11 LEU A2065 11.388 -17.878 2.280 1.00 61.11 H new ATOM 0 HD12 LEU A2065 10.194 -18.180 0.995 1.00 61.11 H new ATOM 0 HD13 LEU A2065 9.802 -17.071 2.331 1.00 61.11 H new ATOM 0 HD21 LEU A2065 11.083 -18.873 4.538 1.00 22.20 H new ATOM 0 HD22 LEU A2065 9.479 -18.129 4.737 1.00 22.20 H new ATOM 0 HD23 LEU A2065 9.667 -19.892 4.888 1.00 22.20 H new ATOM 867 N LYS A2066 5.709 -17.964 0.944 1.00 43.33 N ATOM 868 CA LYS A2066 5.128 -17.564 -0.328 1.00 10.33 C ATOM 869 C LYS A2066 4.819 -16.066 -0.293 1.00 23.14 C ATOM 870 O LYS A2066 5.212 -15.327 -1.194 1.00 33.44 O ATOM 871 CB LYS A2066 3.916 -18.435 -0.659 1.00 31.54 C ATOM 872 CG LYS A2066 3.483 -18.242 -2.114 1.00 2.25 C ATOM 873 CD LYS A2066 4.138 -19.286 -3.022 1.00 61.03 C ATOM 874 CE LYS A2066 3.420 -20.632 -2.918 1.00 70.32 C ATOM 875 NZ LYS A2066 4.396 -21.725 -2.709 1.00 42.33 N ATOM 0 H LYS A2066 5.106 -18.547 1.524 1.00 43.33 H new ATOM 0 HA LYS A2066 5.838 -17.724 -1.140 1.00 10.33 H new ATOM 0 HB2 LYS A2066 4.158 -19.483 -0.484 1.00 31.54 H new ATOM 0 HB3 LYS A2066 3.090 -18.183 0.006 1.00 31.54 H new ATOM 0 HG2 LYS A2066 2.398 -18.319 -2.188 1.00 2.25 H new ATOM 0 HG3 LYS A2066 3.755 -17.241 -2.449 1.00 2.25 H new ATOM 0 HD2 LYS A2066 4.118 -18.938 -4.055 1.00 61.03 H new ATOM 0 HD3 LYS A2066 5.186 -19.407 -2.746 1.00 61.03 H new ATOM 0 HE2 LYS A2066 2.709 -20.609 -2.092 1.00 70.32 H new ATOM 0 HE3 LYS A2066 2.847 -20.817 -3.827 1.00 70.32 H new ATOM 0 HZ1 LYS A2066 3.892 -22.632 -2.641 1.00 42.33 H new ATOM 0 HZ2 LYS A2066 5.059 -21.757 -3.510 1.00 42.33 H new ATOM 0 HZ3 LYS A2066 4.924 -21.555 -1.829 1.00 42.33 H new ATOM 888 N GLU A2067 4.120 -15.662 0.759 1.00 24.43 N ATOM 889 CA GLU A2067 3.752 -14.267 0.921 1.00 11.30 C ATOM 890 C GLU A2067 4.994 -13.423 1.223 1.00 63.00 C ATOM 891 O GLU A2067 5.004 -12.218 0.977 1.00 13.11 O ATOM 892 CB GLU A2067 2.697 -14.100 2.016 1.00 4.35 C ATOM 893 CG GLU A2067 1.379 -14.764 1.613 1.00 21.03 C ATOM 894 CD GLU A2067 0.449 -13.761 0.926 1.00 64.14 C ATOM 895 OE1 GLU A2067 -0.402 -13.151 1.587 1.00 50.41 O ATOM 896 OE2 GLU A2067 0.637 -13.626 -0.344 1.00 40.41 O ATOM 0 H GLU A2067 3.800 -16.277 1.507 1.00 24.43 H new ATOM 0 HA GLU A2067 3.315 -13.916 -0.014 1.00 11.30 H new ATOM 0 HB2 GLU A2067 3.060 -14.538 2.946 1.00 4.35 H new ATOM 0 HB3 GLU A2067 2.531 -13.040 2.207 1.00 4.35 H new ATOM 0 HG2 GLU A2067 1.578 -15.599 0.942 1.00 21.03 H new ATOM 0 HG3 GLU A2067 0.889 -15.174 2.496 1.00 21.03 H new ATOM 904 N THR A2068 6.008 -14.092 1.752 1.00 44.44 N ATOM 905 CA THR A2068 7.252 -13.420 2.091 1.00 33.33 C ATOM 906 C THR A2068 7.814 -12.692 0.868 1.00 32.23 C ATOM 907 O THR A2068 8.298 -11.566 0.979 1.00 30.13 O ATOM 908 CB THR A2068 8.210 -14.461 2.671 1.00 73.10 C ATOM 909 OG1 THR A2068 7.806 -14.580 4.034 1.00 10.24 O ATOM 910 CG2 THR A2068 9.649 -13.951 2.752 1.00 15.54 C ATOM 0 H THR A2068 5.994 -15.092 1.954 1.00 44.44 H new ATOM 0 HA THR A2068 7.092 -12.649 2.845 1.00 33.33 H new ATOM 0 HB THR A2068 8.179 -15.364 2.061 1.00 73.10 H new ATOM 0 HG1 THR A2068 6.980 -15.105 4.086 1.00 10.24 H new ATOM 0 HG21 THR A2068 10.288 -14.729 3.171 1.00 15.54 H new ATOM 0 HG22 THR A2068 10.000 -13.692 1.753 1.00 15.54 H new ATOM 0 HG23 THR A2068 9.687 -13.068 3.390 1.00 15.54 H new ATOM 918 N SER A2069 7.731 -13.363 -0.271 1.00 2.42 N ATOM 919 CA SER A2069 8.225 -12.795 -1.512 1.00 65.34 C ATOM 920 C SER A2069 7.407 -11.558 -1.885 1.00 44.12 C ATOM 921 O SER A2069 7.967 -10.500 -2.166 1.00 45.43 O ATOM 922 CB SER A2069 8.180 -13.823 -2.646 1.00 72.21 C ATOM 923 OG SER A2069 9.372 -14.601 -2.709 1.00 71.22 O ATOM 0 H SER A2069 7.328 -14.296 -0.360 1.00 2.42 H new ATOM 0 HA SER A2069 9.265 -12.503 -1.363 1.00 65.34 H new ATOM 0 HB2 SER A2069 7.324 -14.482 -2.504 1.00 72.21 H new ATOM 0 HB3 SER A2069 8.032 -13.309 -3.596 1.00 72.21 H new ATOM 0 HG SER A2069 9.303 -15.246 -3.444 1.00 71.22 H new ATOM 929 N PHE A2070 6.093 -11.732 -1.874 1.00 51.55 N ATOM 930 CA PHE A2070 5.191 -10.642 -2.207 1.00 71.14 C ATOM 931 C PHE A2070 5.397 -9.454 -1.266 1.00 71.15 C ATOM 932 O PHE A2070 5.427 -8.305 -1.707 1.00 65.40 O ATOM 933 CB PHE A2070 3.767 -11.172 -2.036 1.00 35.35 C ATOM 934 CG PHE A2070 2.740 -10.093 -1.686 1.00 64.52 C ATOM 935 CD1 PHE A2070 2.726 -8.918 -2.371 1.00 64.32 C ATOM 936 CD2 PHE A2070 1.839 -10.309 -0.690 1.00 23.30 C ATOM 937 CE1 PHE A2070 1.773 -7.919 -2.047 1.00 21.02 C ATOM 938 CE2 PHE A2070 0.885 -9.310 -0.365 1.00 60.05 C ATOM 939 CZ PHE A2070 0.873 -8.134 -1.051 1.00 31.53 C ATOM 0 H PHE A2070 5.632 -12.611 -1.640 1.00 51.55 H new ATOM 0 HA PHE A2070 5.378 -10.301 -3.225 1.00 71.14 H new ATOM 0 HB2 PHE A2070 3.461 -11.665 -2.958 1.00 35.35 H new ATOM 0 HB3 PHE A2070 3.764 -11.930 -1.253 1.00 35.35 H new ATOM 0 HD1 PHE A2070 3.441 -8.746 -3.162 1.00 64.32 H new ATOM 0 HD2 PHE A2070 1.850 -11.242 -0.146 1.00 23.30 H new ATOM 0 HE1 PHE A2070 1.762 -6.987 -2.592 1.00 21.02 H new ATOM 0 HE2 PHE A2070 0.169 -9.482 0.425 1.00 60.05 H new ATOM 0 HZ PHE A2070 0.149 -7.372 -0.804 1.00 31.53 H new ATOM 949 N ASN A2071 5.534 -9.770 0.013 1.00 15.11 N ATOM 950 CA ASN A2071 5.736 -8.742 1.020 1.00 41.32 C ATOM 951 C ASN A2071 7.132 -8.140 0.855 1.00 54.54 C ATOM 952 O ASN A2071 7.350 -6.970 1.170 1.00 22.53 O ATOM 953 CB ASN A2071 5.635 -9.325 2.431 1.00 14.11 C ATOM 954 CG ASN A2071 5.489 -8.216 3.475 1.00 20.32 C ATOM 955 OD1 ASN A2071 4.573 -7.410 3.437 1.00 33.01 O ATOM 956 ND2 ASN A2071 6.439 -8.219 4.405 1.00 74.11 N ATOM 0 H ASN A2071 5.509 -10.723 0.375 1.00 15.11 H new ATOM 0 HA ASN A2071 4.964 -7.984 0.888 1.00 41.32 H new ATOM 0 HB2 ASN A2071 4.780 -9.999 2.489 1.00 14.11 H new ATOM 0 HB3 ASN A2071 6.524 -9.918 2.647 1.00 14.11 H new ATOM 0 HD21 ASN A2071 6.430 -7.518 5.146 1.00 74.11 H new ATOM 0 HD22 ASN A2071 7.177 -8.923 4.378 1.00 74.11 H new ATOM 963 N GLN A2072 8.044 -8.965 0.362 1.00 71.22 N ATOM 964 CA GLN A2072 9.414 -8.529 0.152 1.00 22.33 C ATOM 965 C GLN A2072 9.514 -7.689 -1.123 1.00 35.42 C ATOM 966 O GLN A2072 9.993 -6.556 -1.088 1.00 74.41 O ATOM 967 CB GLN A2072 10.368 -9.724 0.095 1.00 34.23 C ATOM 968 CG GLN A2072 10.836 -10.118 1.498 1.00 31.13 C ATOM 969 CD GLN A2072 12.360 -10.034 1.611 1.00 22.11 C ATOM 970 OE1 GLN A2072 13.077 -11.001 1.410 1.00 72.31 O ATOM 971 NE2 GLN A2072 12.813 -8.828 1.940 1.00 22.35 N ATOM 0 H GLN A2072 7.861 -9.934 0.102 1.00 71.22 H new ATOM 0 HA GLN A2072 9.710 -7.909 0.998 1.00 22.33 H new ATOM 0 HB2 GLN A2072 9.869 -10.570 -0.377 1.00 34.23 H new ATOM 0 HB3 GLN A2072 11.230 -9.477 -0.524 1.00 34.23 H new ATOM 0 HG2 GLN A2072 10.376 -9.461 2.237 1.00 31.13 H new ATOM 0 HG3 GLN A2072 10.506 -11.132 1.724 1.00 31.13 H new ATOM 0 HE21 GLN A2072 12.158 -8.062 2.094 1.00 22.35 H new ATOM 0 HE22 GLN A2072 13.816 -8.669 2.038 1.00 22.35 H new ATOM 980 N ALA A2073 9.053 -8.275 -2.218 1.00 71.25 N ATOM 981 CA ALA A2073 9.085 -7.593 -3.502 1.00 31.54 C ATOM 982 C ALA A2073 8.473 -6.200 -3.349 1.00 43.44 C ATOM 983 O ALA A2073 8.891 -5.258 -4.021 1.00 62.43 O ATOM 984 CB ALA A2073 8.354 -8.441 -4.546 1.00 73.43 C ATOM 0 H ALA A2073 8.655 -9.214 -2.243 1.00 71.25 H new ATOM 0 HA ALA A2073 10.112 -7.465 -3.845 1.00 31.54 H new ATOM 0 HB1 ALA A2073 8.377 -7.931 -5.509 1.00 73.43 H new ATOM 0 HB2 ALA A2073 8.845 -9.410 -4.636 1.00 73.43 H new ATOM 0 HB3 ALA A2073 7.319 -8.586 -4.237 1.00 73.43 H new ATOM 990 N TYR A2074 7.492 -6.113 -2.462 1.00 52.41 N ATOM 991 CA TYR A2074 6.819 -4.849 -2.213 1.00 53.14 C ATOM 992 C TYR A2074 7.416 -4.141 -0.994 1.00 1.40 C ATOM 993 O TYR A2074 7.319 -2.921 -0.872 1.00 70.44 O ATOM 994 CB TYR A2074 5.360 -5.199 -1.921 1.00 33.20 C ATOM 995 CG TYR A2074 4.563 -5.629 -3.155 1.00 43.31 C ATOM 996 CD1 TYR A2074 5.181 -6.352 -4.157 1.00 34.04 C ATOM 997 CD2 TYR A2074 3.230 -5.295 -3.266 1.00 35.14 C ATOM 998 CE1 TYR A2074 4.431 -6.756 -5.318 1.00 3.31 C ATOM 999 CE2 TYR A2074 2.479 -5.699 -4.428 1.00 3.21 C ATOM 1000 CZ TYR A2074 3.118 -6.410 -5.397 1.00 61.00 C ATOM 1001 OH TYR A2074 2.412 -6.792 -6.493 1.00 31.54 O ATOM 0 H TYR A2074 7.147 -6.897 -1.907 1.00 52.41 H new ATOM 0 HA TYR A2074 6.925 -4.182 -3.069 1.00 53.14 H new ATOM 0 HB2 TYR A2074 5.330 -6.002 -1.184 1.00 33.20 H new ATOM 0 HB3 TYR A2074 4.873 -4.334 -1.470 1.00 33.20 H new ATOM 0 HD1 TYR A2074 6.225 -6.614 -4.070 1.00 34.04 H new ATOM 0 HD2 TYR A2074 2.748 -4.730 -2.482 1.00 35.14 H new ATOM 0 HE1 TYR A2074 4.901 -7.322 -6.109 1.00 3.31 H new ATOM 0 HE2 TYR A2074 1.434 -5.444 -4.527 1.00 3.21 H new ATOM 0 HH TYR A2074 1.579 -7.225 -6.211 1.00 31.54 H new ATOM 1011 N GLY A2075 8.018 -4.937 -0.122 1.00 22.11 N ATOM 1012 CA GLY A2075 8.629 -4.403 1.082 1.00 51.24 C ATOM 1013 C GLY A2075 9.419 -3.128 0.775 1.00 12.22 C ATOM 1014 O GLY A2075 9.348 -2.155 1.524 1.00 32.11 O ATOM 0 H GLY A2075 8.095 -5.949 -0.226 1.00 22.11 H new ATOM 0 HA2 GLY A2075 7.858 -4.188 1.822 1.00 51.24 H new ATOM 0 HA3 GLY A2075 9.292 -5.149 1.520 1.00 51.24 H new ATOM 1018 N ARG A2076 10.155 -3.176 -0.324 1.00 43.15 N ATOM 1019 CA ARG A2076 10.958 -2.037 -0.738 1.00 4.23 C ATOM 1020 C ARG A2076 10.059 -0.916 -1.258 1.00 61.23 C ATOM 1021 O ARG A2076 10.239 0.247 -0.898 1.00 52.51 O ATOM 1022 CB ARG A2076 11.951 -2.435 -1.832 1.00 73.11 C ATOM 1023 CG ARG A2076 13.371 -1.993 -1.468 1.00 63.52 C ATOM 1024 CD ARG A2076 13.363 -0.612 -0.809 1.00 30.03 C ATOM 1025 NE ARG A2076 14.609 0.115 -1.143 1.00 11.00 N ATOM 1026 CZ ARG A2076 14.728 1.459 -1.123 1.00 15.32 C ATOM 1027 NH1 ARG A2076 13.678 2.236 -0.784 1.00 14.04 N ATOM 1028 NH2 ARG A2076 15.889 2.003 -1.440 1.00 24.45 N ATOM 0 H ARG A2076 10.213 -3.986 -0.942 1.00 43.15 H new ATOM 0 HA ARG A2076 11.513 -1.687 0.132 1.00 4.23 H new ATOM 0 HB2 ARG A2076 11.927 -3.515 -1.975 1.00 73.11 H new ATOM 0 HB3 ARG A2076 11.656 -1.982 -2.779 1.00 73.11 H new ATOM 0 HG2 ARG A2076 13.820 -2.720 -0.791 1.00 63.52 H new ATOM 0 HG3 ARG A2076 13.989 -1.968 -2.365 1.00 63.52 H new ATOM 0 HD2 ARG A2076 12.498 -0.043 -1.149 1.00 30.03 H new ATOM 0 HD3 ARG A2076 13.272 -0.716 0.272 1.00 30.03 H new ATOM 0 HE ARG A2076 15.428 -0.434 -1.404 1.00 11.00 H new ATOM 0 HH11 ARG A2076 12.785 1.808 -0.540 1.00 14.04 H new ATOM 0 HH12 ARG A2076 13.778 3.251 -0.772 1.00 14.04 H new ATOM 0 HH21 ARG A2076 16.678 1.409 -1.695 1.00 24.45 H new ATOM 0 HH22 ARG A2076 15.997 3.017 -1.430 1.00 24.45 H new ATOM 1040 N ASP A2077 9.108 -1.302 -2.097 1.00 51.22 N ATOM 1041 CA ASP A2077 8.181 -0.341 -2.669 1.00 74.31 C ATOM 1042 C ASP A2077 7.488 0.427 -1.543 1.00 43.10 C ATOM 1043 O ASP A2077 7.459 1.657 -1.552 1.00 3.32 O ATOM 1044 CB ASP A2077 7.100 -1.043 -3.495 1.00 34.21 C ATOM 1045 CG ASP A2077 7.607 -1.754 -4.752 1.00 52.00 C ATOM 1046 OD1 ASP A2077 8.781 -2.145 -4.836 1.00 51.13 O ATOM 1047 OD2 ASP A2077 6.729 -1.905 -5.685 1.00 70.44 O ATOM 0 H ASP A2077 8.960 -2.267 -2.394 1.00 51.22 H new ATOM 0 HA ASP A2077 8.748 0.332 -3.312 1.00 74.31 H new ATOM 0 HB2 ASP A2077 6.596 -1.773 -2.861 1.00 34.21 H new ATOM 0 HB3 ASP A2077 6.353 -0.306 -3.789 1.00 34.21 H new ATOM 1053 N LEU A2078 6.945 -0.329 -0.599 1.00 54.40 N ATOM 1054 CA LEU A2078 6.255 0.266 0.531 1.00 52.51 C ATOM 1055 C LEU A2078 7.210 1.209 1.269 1.00 61.35 C ATOM 1056 O LEU A2078 6.786 2.229 1.808 1.00 45.41 O ATOM 1057 CB LEU A2078 5.655 -0.820 1.425 1.00 20.32 C ATOM 1058 CG LEU A2078 4.547 -1.668 0.798 1.00 22.02 C ATOM 1059 CD1 LEU A2078 3.833 -2.511 1.857 1.00 34.05 C ATOM 1060 CD2 LEU A2078 3.570 -0.794 0.006 1.00 20.25 C ATOM 0 H LEU A2078 6.970 -1.349 -0.595 1.00 54.40 H new ATOM 0 HA LEU A2078 5.413 0.867 0.188 1.00 52.51 H new ATOM 0 HB2 LEU A2078 6.458 -1.485 1.744 1.00 20.32 H new ATOM 0 HB3 LEU A2078 5.258 -0.346 2.323 1.00 20.32 H new ATOM 0 HG LEU A2078 5.006 -2.361 0.092 1.00 22.02 H new ATOM 0 HD11 LEU A2078 3.050 -3.104 1.383 1.00 34.05 H new ATOM 0 HD12 LEU A2078 4.551 -3.176 2.338 1.00 34.05 H new ATOM 0 HD13 LEU A2078 3.388 -1.855 2.605 1.00 34.05 H new ATOM 0 HD21 LEU A2078 2.792 -1.421 -0.430 1.00 20.25 H new ATOM 0 HD22 LEU A2078 3.115 -0.061 0.672 1.00 20.25 H new ATOM 0 HD23 LEU A2078 4.107 -0.277 -0.789 1.00 20.25 H new ATOM 1072 N MET A2079 8.482 0.833 1.266 1.00 33.30 N ATOM 1073 CA MET A2079 9.499 1.633 1.927 1.00 65.51 C ATOM 1074 C MET A2079 9.697 2.969 1.210 1.00 73.41 C ATOM 1075 O MET A2079 9.779 4.015 1.851 1.00 43.25 O ATOM 1076 CB MET A2079 10.819 0.862 1.945 1.00 1.42 C ATOM 1077 CG MET A2079 11.217 0.488 3.374 1.00 51.14 C ATOM 1078 SD MET A2079 12.993 0.360 3.501 1.00 33.12 S ATOM 1079 CE MET A2079 13.432 2.089 3.467 1.00 20.52 C ATOM 0 H MET A2079 8.830 -0.014 0.817 1.00 33.30 H new ATOM 0 HA MET A2079 9.171 1.836 2.947 1.00 65.51 H new ATOM 0 HB2 MET A2079 10.725 -0.041 1.342 1.00 1.42 H new ATOM 0 HB3 MET A2079 11.604 1.467 1.492 1.00 1.42 H new ATOM 0 HG2 MET A2079 10.848 1.240 4.071 1.00 51.14 H new ATOM 0 HG3 MET A2079 10.755 -0.459 3.653 1.00 51.14 H new ATOM 0 HE1 MET A2079 14.122 2.273 2.643 1.00 20.52 H new ATOM 0 HE2 MET A2079 12.533 2.690 3.329 1.00 20.52 H new ATOM 0 HE3 MET A2079 13.910 2.362 4.408 1.00 20.52 H new ATOM 1089 N GLU A2080 9.766 2.892 -0.111 1.00 21.40 N ATOM 1090 CA GLU A2080 9.953 4.083 -0.921 1.00 3.41 C ATOM 1091 C GLU A2080 8.799 5.063 -0.699 1.00 24.43 C ATOM 1092 O GLU A2080 9.018 6.203 -0.291 1.00 42.43 O ATOM 1093 CB GLU A2080 10.088 3.722 -2.403 1.00 72.13 C ATOM 1094 CG GLU A2080 10.367 4.969 -3.246 1.00 24.22 C ATOM 1095 CD GLU A2080 11.173 4.613 -4.498 1.00 71.33 C ATOM 1096 OE1 GLU A2080 10.984 3.530 -5.071 1.00 64.22 O ATOM 1097 OE2 GLU A2080 12.021 5.510 -4.873 1.00 71.11 O ATOM 0 H GLU A2080 9.696 2.023 -0.640 1.00 21.40 H new ATOM 0 HA GLU A2080 10.879 4.567 -0.612 1.00 3.41 H new ATOM 0 HB2 GLU A2080 10.896 3.002 -2.534 1.00 72.13 H new ATOM 0 HB3 GLU A2080 9.173 3.241 -2.749 1.00 72.13 H new ATOM 0 HG2 GLU A2080 9.425 5.435 -3.535 1.00 24.22 H new ATOM 0 HG3 GLU A2080 10.915 5.700 -2.651 1.00 24.22 H new ATOM 1105 N ALA A2081 7.595 4.584 -0.977 1.00 1.30 N ATOM 1106 CA ALA A2081 6.408 5.404 -0.812 1.00 30.03 C ATOM 1107 C ALA A2081 6.377 5.969 0.609 1.00 61.11 C ATOM 1108 O ALA A2081 6.033 7.133 0.809 1.00 21.52 O ATOM 1109 CB ALA A2081 5.163 4.571 -1.136 1.00 3.51 C ATOM 0 H ALA A2081 7.417 3.638 -1.315 1.00 1.30 H new ATOM 0 HA ALA A2081 6.425 6.248 -1.502 1.00 30.03 H new ATOM 0 HB1 ALA A2081 4.272 5.186 -1.012 1.00 3.51 H new ATOM 0 HB2 ALA A2081 5.220 4.217 -2.165 1.00 3.51 H new ATOM 0 HB3 ALA A2081 5.111 3.717 -0.461 1.00 3.51 H new ATOM 1115 N GLN A2082 6.739 5.119 1.558 1.00 72.32 N ATOM 1116 CA GLN A2082 6.757 5.520 2.954 1.00 72.43 C ATOM 1117 C GLN A2082 7.679 6.725 3.149 1.00 20.12 C ATOM 1118 O GLN A2082 7.363 7.637 3.914 1.00 64.43 O ATOM 1119 CB GLN A2082 7.179 4.356 3.854 1.00 43.22 C ATOM 1120 CG GLN A2082 7.163 4.767 5.328 1.00 73.23 C ATOM 1121 CD GLN A2082 5.997 4.111 6.068 1.00 71.01 C ATOM 1122 OE1 GLN A2082 5.131 3.480 5.481 1.00 43.34 O ATOM 1123 NE2 GLN A2082 6.021 4.290 7.384 1.00 14.24 N ATOM 0 H GLN A2082 7.022 4.154 1.388 1.00 72.32 H new ATOM 0 HA GLN A2082 5.746 5.810 3.241 1.00 72.43 H new ATOM 0 HB2 GLN A2082 6.507 3.512 3.701 1.00 43.22 H new ATOM 0 HB3 GLN A2082 8.179 4.022 3.577 1.00 43.22 H new ATOM 0 HG2 GLN A2082 8.104 4.482 5.799 1.00 73.23 H new ATOM 0 HG3 GLN A2082 7.084 5.851 5.406 1.00 73.23 H new ATOM 0 HE21 GLN A2082 6.774 4.829 7.812 1.00 14.24 H new ATOM 0 HE22 GLN A2082 5.286 3.889 7.967 1.00 14.24 H new ATOM 1132 N GLU A2083 8.801 6.693 2.445 1.00 25.32 N ATOM 1133 CA GLU A2083 9.770 7.770 2.529 1.00 55.50 C ATOM 1134 C GLU A2083 9.182 9.061 1.952 1.00 31.13 C ATOM 1135 O GLU A2083 9.449 10.149 2.458 1.00 52.03 O ATOM 1136 CB GLU A2083 11.071 7.394 1.818 1.00 40.42 C ATOM 1137 CG GLU A2083 11.426 8.425 0.743 1.00 12.53 C ATOM 1138 CD GLU A2083 12.788 8.116 0.116 1.00 11.53 C ATOM 1139 OE1 GLU A2083 13.748 7.812 0.838 1.00 11.02 O ATOM 1140 OE2 GLU A2083 12.826 8.201 -1.170 1.00 4.21 O ATOM 0 H GLU A2083 9.060 5.936 1.813 1.00 25.32 H new ATOM 0 HA GLU A2083 10.005 7.939 3.580 1.00 55.50 H new ATOM 0 HB2 GLU A2083 11.881 7.327 2.545 1.00 40.42 H new ATOM 0 HB3 GLU A2083 10.969 6.409 1.363 1.00 40.42 H new ATOM 0 HG2 GLU A2083 10.658 8.429 -0.030 1.00 12.53 H new ATOM 0 HG3 GLU A2083 11.441 9.423 1.182 1.00 12.53 H new ATOM 1148 N TRP A2084 8.394 8.894 0.900 1.00 71.41 N ATOM 1149 CA TRP A2084 7.768 10.030 0.248 1.00 12.10 C ATOM 1150 C TRP A2084 6.647 10.538 1.159 1.00 51.14 C ATOM 1151 O TRP A2084 6.256 11.702 1.077 1.00 3.34 O ATOM 1152 CB TRP A2084 7.276 9.659 -1.153 1.00 51.11 C ATOM 1153 CG TRP A2084 8.393 9.261 -2.118 1.00 5.25 C ATOM 1154 CD1 TRP A2084 8.758 8.028 -2.498 1.00 14.42 C ATOM 1155 CD2 TRP A2084 9.284 10.157 -2.818 1.00 2.12 C ATOM 1156 NE1 TRP A2084 9.815 8.063 -3.385 1.00 53.24 N ATOM 1157 CE2 TRP A2084 10.145 9.399 -3.586 1.00 64.54 C ATOM 1158 CE3 TRP A2084 9.361 11.561 -2.802 1.00 10.14 C ATOM 1159 CZ2 TRP A2084 11.142 9.955 -4.396 1.00 52.20 C ATOM 1160 CZ3 TRP A2084 10.363 12.101 -3.616 1.00 52.53 C ATOM 1161 CH2 TRP A2084 11.237 11.352 -4.396 1.00 41.32 C ATOM 0 H TRP A2084 8.175 7.989 0.484 1.00 71.41 H new ATOM 0 HA TRP A2084 8.489 10.833 0.099 1.00 12.10 H new ATOM 0 HB2 TRP A2084 6.568 8.834 -1.072 1.00 51.11 H new ATOM 0 HB3 TRP A2084 6.732 10.505 -1.572 1.00 51.11 H new ATOM 0 HD1 TRP A2084 8.284 7.121 -2.153 1.00 14.42 H new ATOM 0 HE1 TRP A2084 10.270 7.257 -3.814 1.00 53.24 H new ATOM 0 HE3 TRP A2084 8.699 12.174 -2.208 1.00 10.14 H new ATOM 0 HZ2 TRP A2084 11.802 9.340 -4.989 1.00 52.20 H new ATOM 0 HZ3 TRP A2084 10.465 13.176 -3.640 1.00 52.53 H new ATOM 0 HH2 TRP A2084 11.985 11.845 -4.999 1.00 41.32 H new ATOM 1172 N CYS A2085 6.163 9.641 2.003 1.00 32.03 N ATOM 1173 CA CYS A2085 5.093 9.984 2.928 1.00 4.11 C ATOM 1174 C CYS A2085 5.672 10.896 4.012 1.00 2.33 C ATOM 1175 O CYS A2085 5.210 12.020 4.193 1.00 74.34 O ATOM 1176 CB CYS A2085 4.438 8.736 3.521 1.00 4.34 C ATOM 1177 SG CYS A2085 3.447 9.189 4.991 1.00 33.32 S ATOM 0 H CYS A2085 6.490 8.677 2.068 1.00 32.03 H new ATOM 0 HA CYS A2085 4.301 10.511 2.396 1.00 4.11 H new ATOM 0 HB2 CYS A2085 3.801 8.260 2.775 1.00 4.34 H new ATOM 0 HB3 CYS A2085 5.203 8.010 3.797 1.00 4.34 H new ATOM 0 HG CYS A2085 2.251 9.536 4.618 1.00 33.32 H new ATOM 1183 N ARG A2086 6.675 10.376 4.704 1.00 44.20 N ATOM 1184 CA ARG A2086 7.320 11.128 5.766 1.00 63.11 C ATOM 1185 C ARG A2086 8.071 12.329 5.185 1.00 14.25 C ATOM 1186 O ARG A2086 8.243 13.344 5.859 1.00 33.23 O ATOM 1187 CB ARG A2086 8.303 10.251 6.546 1.00 52.12 C ATOM 1188 CG ARG A2086 9.565 9.979 5.726 1.00 45.14 C ATOM 1189 CD ARG A2086 9.992 8.515 5.843 1.00 63.33 C ATOM 1190 NE ARG A2086 10.195 8.161 7.266 1.00 32.22 N ATOM 1191 CZ ARG A2086 10.716 6.989 7.688 1.00 2.24 C ATOM 1192 NH1 ARG A2086 11.092 6.047 6.795 1.00 31.05 N ATOM 1193 NH2 ARG A2086 10.854 6.778 8.983 1.00 72.51 N ATOM 0 H ARG A2086 7.057 9.443 4.550 1.00 44.20 H new ATOM 0 HA ARG A2086 6.541 11.474 6.446 1.00 63.11 H new ATOM 0 HB2 ARG A2086 8.572 10.743 7.481 1.00 52.12 H new ATOM 0 HB3 ARG A2086 7.825 9.307 6.808 1.00 52.12 H new ATOM 0 HG2 ARG A2086 9.383 10.226 4.680 1.00 45.14 H new ATOM 0 HG3 ARG A2086 10.372 10.625 6.070 1.00 45.14 H new ATOM 0 HD2 ARG A2086 9.232 7.869 5.404 1.00 63.33 H new ATOM 0 HD3 ARG A2086 10.913 8.350 5.283 1.00 63.33 H new ATOM 0 HE ARG A2086 9.924 8.845 7.972 1.00 32.22 H new ATOM 0 HH11 ARG A2086 10.983 6.219 5.796 1.00 31.05 H new ATOM 0 HH12 ARG A2086 11.485 5.164 7.120 1.00 31.05 H new ATOM 0 HH21 ARG A2086 10.569 7.495 9.650 1.00 72.51 H new ATOM 0 HH22 ARG A2086 11.246 5.898 9.317 1.00 72.51 H new ATOM 1205 N LYS A2087 8.495 12.174 3.940 1.00 62.54 N ATOM 1206 CA LYS A2087 9.223 13.234 3.260 1.00 32.20 C ATOM 1207 C LYS A2087 8.258 14.374 2.925 1.00 4.22 C ATOM 1208 O LYS A2087 8.628 15.544 2.998 1.00 73.20 O ATOM 1209 CB LYS A2087 9.965 12.678 2.044 1.00 62.43 C ATOM 1210 CG LYS A2087 10.575 13.807 1.211 1.00 73.21 C ATOM 1211 CD LYS A2087 9.740 14.074 -0.045 1.00 3.41 C ATOM 1212 CE LYS A2087 9.217 15.512 -0.059 1.00 5.30 C ATOM 1213 NZ LYS A2087 9.892 16.298 -1.117 1.00 4.31 N ATOM 0 H LYS A2087 8.349 11.332 3.384 1.00 62.54 H new ATOM 0 HA LYS A2087 9.993 13.648 3.911 1.00 32.20 H new ATOM 0 HB2 LYS A2087 10.751 11.998 2.373 1.00 62.43 H new ATOM 0 HB3 LYS A2087 9.278 12.097 1.428 1.00 62.43 H new ATOM 0 HG2 LYS A2087 10.636 14.715 1.811 1.00 73.21 H new ATOM 0 HG3 LYS A2087 11.594 13.544 0.926 1.00 73.21 H new ATOM 0 HD2 LYS A2087 10.345 13.894 -0.934 1.00 3.41 H new ATOM 0 HD3 LYS A2087 8.902 13.378 -0.084 1.00 3.41 H new ATOM 0 HE2 LYS A2087 8.140 15.512 -0.228 1.00 5.30 H new ATOM 0 HE3 LYS A2087 9.387 15.977 0.912 1.00 5.30 H new ATOM 0 HZ1 LYS A2087 9.295 17.107 -1.383 1.00 4.31 H new ATOM 0 HZ2 LYS A2087 10.806 16.644 -0.762 1.00 4.31 H new ATOM 0 HZ3 LYS A2087 10.049 15.696 -1.950 1.00 4.31 H new ATOM 1226 N TYR A2088 7.043 13.990 2.564 1.00 51.25 N ATOM 1227 CA TYR A2088 6.024 14.966 2.216 1.00 15.22 C ATOM 1228 C TYR A2088 5.397 15.575 3.472 1.00 0.14 C ATOM 1229 O TYR A2088 5.214 16.788 3.555 1.00 74.14 O ATOM 1230 CB TYR A2088 4.949 14.198 1.446 1.00 44.12 C ATOM 1231 CG TYR A2088 3.574 14.868 1.458 1.00 13.23 C ATOM 1232 CD1 TYR A2088 3.303 15.905 0.587 1.00 23.11 C ATOM 1233 CD2 TYR A2088 2.605 14.438 2.341 1.00 63.55 C ATOM 1234 CE1 TYR A2088 2.009 16.537 0.601 1.00 64.34 C ATOM 1235 CE2 TYR A2088 1.310 15.068 2.353 1.00 13.02 C ATOM 1236 CZ TYR A2088 1.076 16.087 1.483 1.00 64.02 C ATOM 1237 OH TYR A2088 -0.146 16.683 1.494 1.00 61.04 O ATOM 0 H TYR A2088 6.741 13.018 2.505 1.00 51.25 H new ATOM 0 HA TYR A2088 6.455 15.779 1.632 1.00 15.22 H new ATOM 0 HB2 TYR A2088 5.274 14.078 0.412 1.00 44.12 H new ATOM 0 HB3 TYR A2088 4.858 13.198 1.870 1.00 44.12 H new ATOM 0 HD1 TYR A2088 4.061 16.242 -0.104 1.00 23.11 H new ATOM 0 HD2 TYR A2088 2.818 13.629 3.024 1.00 63.55 H new ATOM 0 HE1 TYR A2088 1.784 17.350 -0.074 1.00 64.34 H new ATOM 0 HE2 TYR A2088 0.542 14.739 3.037 1.00 13.02 H new ATOM 0 HH TYR A2088 -0.711 16.258 2.173 1.00 61.04 H new ATOM 1247 N MET A2089 5.084 14.703 4.420 1.00 23.21 N ATOM 1248 CA MET A2089 4.481 15.139 5.668 1.00 74.11 C ATOM 1249 C MET A2089 5.413 16.085 6.427 1.00 71.44 C ATOM 1250 O MET A2089 4.959 17.055 7.033 1.00 13.24 O ATOM 1251 CB MET A2089 4.172 13.920 6.539 1.00 13.14 C ATOM 1252 CG MET A2089 2.939 13.175 6.023 1.00 62.30 C ATOM 1253 SD MET A2089 2.147 12.302 7.362 1.00 15.42 S ATOM 1254 CE MET A2089 0.461 12.848 7.134 1.00 0.52 C ATOM 0 H MET A2089 5.237 13.697 4.349 1.00 23.21 H new ATOM 0 HA MET A2089 3.560 15.675 5.437 1.00 74.11 H new ATOM 0 HB2 MET A2089 5.030 13.248 6.548 1.00 13.14 H new ATOM 0 HB3 MET A2089 4.005 14.237 7.568 1.00 13.14 H new ATOM 0 HG2 MET A2089 2.240 13.880 5.574 1.00 62.30 H new ATOM 0 HG3 MET A2089 3.229 12.473 5.242 1.00 62.30 H new ATOM 0 HE1 MET A2089 -0.215 12.001 7.252 1.00 0.52 H new ATOM 0 HE2 MET A2089 0.222 13.610 7.876 1.00 0.52 H new ATOM 0 HE3 MET A2089 0.346 13.267 6.134 1.00 0.52 H new ATOM 1264 N LYS A2090 6.699 15.772 6.366 1.00 32.24 N ATOM 1265 CA LYS A2090 7.699 16.582 7.041 1.00 14.14 C ATOM 1266 C LYS A2090 7.734 17.973 6.405 1.00 13.12 C ATOM 1267 O LYS A2090 7.513 18.974 7.083 1.00 51.23 O ATOM 1268 CB LYS A2090 9.055 15.871 7.041 1.00 71.23 C ATOM 1269 CG LYS A2090 10.128 16.739 7.699 1.00 5.11 C ATOM 1270 CD LYS A2090 9.559 17.503 8.896 1.00 62.31 C ATOM 1271 CE LYS A2090 10.622 18.402 9.528 1.00 5.41 C ATOM 1272 NZ LYS A2090 11.754 17.590 10.029 1.00 23.23 N ATOM 0 H LYS A2090 7.072 14.969 5.860 1.00 32.24 H new ATOM 0 HA LYS A2090 7.436 16.716 8.090 1.00 14.14 H new ATOM 0 HB2 LYS A2090 8.973 14.923 7.572 1.00 71.23 H new ATOM 0 HB3 LYS A2090 9.348 15.638 6.017 1.00 71.23 H new ATOM 0 HG2 LYS A2090 10.958 16.112 8.025 1.00 5.11 H new ATOM 0 HG3 LYS A2090 10.528 17.444 6.970 1.00 5.11 H new ATOM 0 HD2 LYS A2090 8.710 18.107 8.576 1.00 62.31 H new ATOM 0 HD3 LYS A2090 9.186 16.797 9.638 1.00 62.31 H new ATOM 0 HE2 LYS A2090 10.981 19.123 8.794 1.00 5.41 H new ATOM 0 HE3 LYS A2090 10.185 18.972 10.348 1.00 5.41 H new ATOM 0 HZ1 LYS A2090 12.327 18.160 10.683 1.00 23.23 H new ATOM 0 HZ2 LYS A2090 11.388 16.754 10.528 1.00 23.23 H new ATOM 0 HZ3 LYS A2090 12.343 17.284 9.228 1.00 23.23 H new ATOM 1285 N SER A2091 8.014 17.990 5.109 1.00 12.42 N ATOM 1286 CA SER A2091 8.082 19.241 4.375 1.00 55.54 C ATOM 1287 C SER A2091 8.352 18.964 2.894 1.00 71.03 C ATOM 1288 O SER A2091 9.482 19.108 2.428 1.00 12.21 O ATOM 1289 CB SER A2091 9.162 20.159 4.949 1.00 42.30 C ATOM 1290 OG SER A2091 8.651 21.449 5.274 1.00 64.53 O ATOM 0 H SER A2091 8.196 17.157 4.550 1.00 12.42 H new ATOM 0 HA SER A2091 7.123 19.749 4.475 1.00 55.54 H new ATOM 0 HB2 SER A2091 9.588 19.703 5.842 1.00 42.30 H new ATOM 0 HB3 SER A2091 9.972 20.262 4.226 1.00 42.30 H new ATOM 0 HG SER A2091 9.372 22.004 5.639 1.00 64.53 H new ATOM 1296 N GLY A2092 7.296 18.575 2.196 1.00 10.05 N ATOM 1297 CA GLY A2092 7.406 18.277 0.778 1.00 54.50 C ATOM 1298 C GLY A2092 6.279 18.946 -0.012 1.00 50.02 C ATOM 1299 O GLY A2092 5.892 20.075 0.290 1.00 62.11 O ATOM 0 H GLY A2092 6.360 18.459 2.585 1.00 10.05 H new ATOM 0 HA2 GLY A2092 8.371 18.621 0.404 1.00 54.50 H new ATOM 0 HA3 GLY A2092 7.371 17.198 0.626 1.00 54.50 H new ATOM 1303 N ASN A2093 5.786 18.224 -1.006 1.00 33.43 N ATOM 1304 CA ASN A2093 4.712 18.734 -1.840 1.00 2.44 C ATOM 1305 C ASN A2093 3.853 17.566 -2.329 1.00 33.53 C ATOM 1306 O ASN A2093 4.310 16.426 -2.361 1.00 45.01 O ATOM 1307 CB ASN A2093 5.266 19.459 -3.069 1.00 34.03 C ATOM 1308 CG ASN A2093 4.481 20.744 -3.345 1.00 44.54 C ATOM 1309 OD1 ASN A2093 3.317 20.877 -3.007 1.00 11.32 O ATOM 1310 ND2 ASN A2093 5.184 21.680 -3.979 1.00 22.12 N ATOM 0 H ASN A2093 6.111 17.289 -1.253 1.00 33.43 H new ATOM 0 HA ASN A2093 4.124 19.432 -1.243 1.00 2.44 H new ATOM 0 HB2 ASN A2093 6.318 19.697 -2.912 1.00 34.03 H new ATOM 0 HB3 ASN A2093 5.214 18.803 -3.938 1.00 34.03 H new ATOM 0 HD21 ASN A2093 4.751 22.574 -4.210 1.00 22.12 H new ATOM 0 HD22 ASN A2093 6.156 21.503 -4.233 1.00 22.12 H new ATOM 1317 N VAL A2094 2.622 17.891 -2.697 1.00 62.40 N ATOM 1318 CA VAL A2094 1.694 16.884 -3.182 1.00 12.43 C ATOM 1319 C VAL A2094 2.407 15.991 -4.200 1.00 2.44 C ATOM 1320 O VAL A2094 2.146 14.789 -4.266 1.00 33.30 O ATOM 1321 CB VAL A2094 0.442 17.555 -3.749 1.00 52.51 C ATOM 1322 CG1 VAL A2094 0.576 17.782 -5.256 1.00 52.00 C ATOM 1323 CG2 VAL A2094 -0.811 16.737 -3.426 1.00 53.15 C ATOM 0 H VAL A2094 2.246 18.839 -2.669 1.00 62.40 H new ATOM 0 HA VAL A2094 1.361 16.245 -2.364 1.00 12.43 H new ATOM 0 HB VAL A2094 0.338 18.530 -3.272 1.00 52.51 H new ATOM 0 HG11 VAL A2094 -0.328 18.260 -5.634 1.00 52.00 H new ATOM 0 HG12 VAL A2094 1.435 18.423 -5.452 1.00 52.00 H new ATOM 0 HG13 VAL A2094 0.716 16.824 -5.757 1.00 52.00 H new ATOM 0 HG21 VAL A2094 -1.688 17.235 -3.840 1.00 53.15 H new ATOM 0 HG22 VAL A2094 -0.719 15.743 -3.863 1.00 53.15 H new ATOM 0 HG23 VAL A2094 -0.920 16.650 -2.345 1.00 53.15 H new ATOM 1333 N LYS A2095 3.290 16.610 -4.968 1.00 4.21 N ATOM 1334 CA LYS A2095 4.042 15.885 -5.979 1.00 14.23 C ATOM 1335 C LYS A2095 4.642 14.625 -5.356 1.00 11.21 C ATOM 1336 O LYS A2095 4.530 13.535 -5.917 1.00 12.32 O ATOM 1337 CB LYS A2095 5.077 16.802 -6.635 1.00 22.43 C ATOM 1338 CG LYS A2095 4.989 16.723 -8.162 1.00 22.13 C ATOM 1339 CD LYS A2095 6.224 17.348 -8.814 1.00 62.54 C ATOM 1340 CE LYS A2095 7.324 16.303 -9.018 1.00 33.14 C ATOM 1341 NZ LYS A2095 8.445 16.878 -9.795 1.00 32.24 N ATOM 0 H LYS A2095 3.502 17.606 -4.911 1.00 4.21 H new ATOM 0 HA LYS A2095 3.384 15.559 -6.784 1.00 14.23 H new ATOM 0 HB2 LYS A2095 4.915 17.830 -6.310 1.00 22.43 H new ATOM 0 HB3 LYS A2095 6.078 16.519 -6.309 1.00 22.43 H new ATOM 0 HG2 LYS A2095 4.897 15.682 -8.471 1.00 22.13 H new ATOM 0 HG3 LYS A2095 4.092 17.238 -8.506 1.00 22.13 H new ATOM 0 HD2 LYS A2095 5.951 17.786 -9.774 1.00 62.54 H new ATOM 0 HD3 LYS A2095 6.599 18.159 -8.189 1.00 62.54 H new ATOM 0 HE2 LYS A2095 7.685 15.953 -8.051 1.00 33.14 H new ATOM 0 HE3 LYS A2095 6.919 15.436 -9.540 1.00 33.14 H new ATOM 0 HZ1 LYS A2095 9.183 16.157 -9.925 1.00 32.24 H new ATOM 0 HZ2 LYS A2095 8.099 17.191 -10.725 1.00 32.24 H new ATOM 0 HZ3 LYS A2095 8.842 17.691 -9.282 1.00 32.24 H new ATOM 1354 N ASP A2096 5.269 14.814 -4.202 1.00 65.21 N ATOM 1355 CA ASP A2096 5.888 13.704 -3.498 1.00 24.44 C ATOM 1356 C ASP A2096 4.801 12.746 -3.007 1.00 65.01 C ATOM 1357 O ASP A2096 4.976 11.528 -3.052 1.00 35.51 O ATOM 1358 CB ASP A2096 6.670 14.195 -2.278 1.00 11.43 C ATOM 1359 CG ASP A2096 7.764 15.220 -2.580 1.00 53.25 C ATOM 1360 OD1 ASP A2096 8.871 14.865 -3.011 1.00 62.43 O ATOM 1361 OD2 ASP A2096 7.441 16.448 -2.353 1.00 53.52 O ATOM 0 H ASP A2096 5.361 15.718 -3.739 1.00 65.21 H new ATOM 0 HA ASP A2096 6.569 13.205 -4.188 1.00 24.44 H new ATOM 0 HB2 ASP A2096 5.969 14.633 -1.568 1.00 11.43 H new ATOM 0 HB3 ASP A2096 7.125 13.335 -1.787 1.00 11.43 H new ATOM 1367 N LEU A2097 3.703 13.330 -2.553 1.00 52.24 N ATOM 1368 CA LEU A2097 2.588 12.543 -2.054 1.00 72.34 C ATOM 1369 C LEU A2097 2.031 11.681 -3.190 1.00 50.10 C ATOM 1370 O LEU A2097 1.792 10.488 -3.007 1.00 24.41 O ATOM 1371 CB LEU A2097 1.542 13.449 -1.401 1.00 42.35 C ATOM 1372 CG LEU A2097 0.208 12.788 -1.049 1.00 70.23 C ATOM 1373 CD1 LEU A2097 0.425 11.388 -0.471 1.00 13.41 C ATOM 1374 CD2 LEU A2097 -0.613 13.675 -0.111 1.00 5.41 C ATOM 0 H LEU A2097 3.561 14.340 -2.520 1.00 52.24 H new ATOM 0 HA LEU A2097 2.922 11.864 -1.270 1.00 72.34 H new ATOM 0 HB2 LEU A2097 1.970 13.866 -0.489 1.00 42.35 H new ATOM 0 HB3 LEU A2097 1.345 14.285 -2.072 1.00 42.35 H new ATOM 0 HG LEU A2097 -0.368 12.671 -1.967 1.00 70.23 H new ATOM 0 HD11 LEU A2097 -0.539 10.941 -0.229 1.00 13.41 H new ATOM 0 HD12 LEU A2097 0.939 10.767 -1.205 1.00 13.41 H new ATOM 0 HD13 LEU A2097 1.030 11.457 0.433 1.00 13.41 H new ATOM 0 HD21 LEU A2097 -1.556 13.182 0.123 1.00 5.41 H new ATOM 0 HD22 LEU A2097 -0.055 13.846 0.809 1.00 5.41 H new ATOM 0 HD23 LEU A2097 -0.814 14.630 -0.596 1.00 5.41 H new ATOM 1386 N THR A2098 1.842 12.318 -4.335 1.00 42.12 N ATOM 1387 CA THR A2098 1.320 11.624 -5.501 1.00 2.12 C ATOM 1388 C THR A2098 2.241 10.467 -5.890 1.00 24.13 C ATOM 1389 O THR A2098 1.772 9.376 -6.214 1.00 0.34 O ATOM 1390 CB THR A2098 1.128 12.650 -6.617 1.00 42.41 C ATOM 1391 OG1 THR A2098 -0.019 13.393 -6.214 1.00 61.10 O ATOM 1392 CG2 THR A2098 0.711 12.006 -7.941 1.00 51.32 C ATOM 0 H THR A2098 2.041 13.308 -4.481 1.00 42.12 H new ATOM 0 HA THR A2098 0.352 11.170 -5.289 1.00 2.12 H new ATOM 0 HB THR A2098 2.055 13.206 -6.761 1.00 42.41 H new ATOM 0 HG1 THR A2098 -0.213 14.083 -6.882 1.00 61.10 H new ATOM 0 HG21 THR A2098 0.588 12.780 -8.699 1.00 51.32 H new ATOM 0 HG22 THR A2098 1.479 11.303 -8.261 1.00 51.32 H new ATOM 0 HG23 THR A2098 -0.232 11.477 -7.807 1.00 51.32 H new ATOM 1400 N GLN A2099 3.537 10.743 -5.846 1.00 32.21 N ATOM 1401 CA GLN A2099 4.529 9.739 -6.191 1.00 33.15 C ATOM 1402 C GLN A2099 4.359 8.500 -5.308 1.00 54.41 C ATOM 1403 O GLN A2099 4.304 7.379 -5.808 1.00 71.34 O ATOM 1404 CB GLN A2099 5.944 10.305 -6.077 1.00 13.35 C ATOM 1405 CG GLN A2099 6.680 10.217 -7.414 1.00 4.43 C ATOM 1406 CD GLN A2099 7.923 11.111 -7.417 1.00 74.40 C ATOM 1407 OE1 GLN A2099 7.876 12.282 -7.081 1.00 51.22 O ATOM 1408 NE2 GLN A2099 9.033 10.493 -7.812 1.00 72.15 N ATOM 0 H GLN A2099 3.923 11.648 -5.576 1.00 32.21 H new ATOM 0 HA GLN A2099 4.375 9.445 -7.229 1.00 33.15 H new ATOM 0 HB2 GLN A2099 5.898 11.344 -5.751 1.00 13.35 H new ATOM 0 HB3 GLN A2099 6.499 9.756 -5.316 1.00 13.35 H new ATOM 0 HG2 GLN A2099 6.970 9.184 -7.606 1.00 4.43 H new ATOM 0 HG3 GLN A2099 6.011 10.515 -8.221 1.00 4.43 H new ATOM 0 HE21 GLN A2099 9.001 9.509 -8.080 1.00 72.15 H new ATOM 0 HE22 GLN A2099 9.916 11.003 -7.847 1.00 72.15 H new ATOM 1417 N ALA A2100 4.281 8.747 -4.008 1.00 72.21 N ATOM 1418 CA ALA A2100 4.118 7.665 -3.051 1.00 41.44 C ATOM 1419 C ALA A2100 2.856 6.871 -3.393 1.00 22.02 C ATOM 1420 O ALA A2100 2.866 5.640 -3.368 1.00 41.43 O ATOM 1421 CB ALA A2100 4.078 8.241 -1.634 1.00 4.52 C ATOM 0 H ALA A2100 4.328 9.679 -3.596 1.00 72.21 H new ATOM 0 HA ALA A2100 4.962 6.978 -3.101 1.00 41.44 H new ATOM 0 HB1 ALA A2100 3.956 7.431 -0.915 1.00 4.52 H new ATOM 0 HB2 ALA A2100 5.009 8.770 -1.430 1.00 4.52 H new ATOM 0 HB3 ALA A2100 3.241 8.933 -1.546 1.00 4.52 H new ATOM 1427 N TRP A2101 1.800 7.606 -3.707 1.00 71.35 N ATOM 1428 CA TRP A2101 0.534 6.985 -4.054 1.00 73.45 C ATOM 1429 C TRP A2101 0.746 6.156 -5.324 1.00 31.21 C ATOM 1430 O TRP A2101 0.114 5.115 -5.500 1.00 11.11 O ATOM 1431 CB TRP A2101 -0.569 8.035 -4.203 1.00 61.24 C ATOM 1432 CG TRP A2101 -1.662 7.948 -3.136 1.00 12.22 C ATOM 1433 CD1 TRP A2101 -1.886 8.784 -2.115 1.00 53.21 C ATOM 1434 CD2 TRP A2101 -2.676 6.927 -3.026 1.00 55.43 C ATOM 1435 NE1 TRP A2101 -2.966 8.381 -1.356 1.00 72.13 N ATOM 1436 CE2 TRP A2101 -3.461 7.215 -1.930 1.00 75.23 C ATOM 1437 CE3 TRP A2101 -2.923 5.800 -3.828 1.00 32.03 C ATOM 1438 CZ2 TRP A2101 -4.547 6.423 -1.533 1.00 62.15 C ATOM 1439 CZ3 TRP A2101 -4.009 5.018 -3.420 1.00 23.22 C ATOM 1440 CH2 TRP A2101 -4.811 5.292 -2.318 1.00 45.45 C ATOM 0 H TRP A2101 1.795 8.626 -3.728 1.00 71.35 H new ATOM 0 HA TRP A2101 0.199 6.321 -3.257 1.00 73.45 H new ATOM 0 HB2 TRP A2101 -0.119 9.027 -4.167 1.00 61.24 H new ATOM 0 HB3 TRP A2101 -1.027 7.929 -5.186 1.00 61.24 H new ATOM 0 HD1 TRP A2101 -1.295 9.665 -1.910 1.00 53.21 H new ATOM 0 HE1 TRP A2101 -3.333 8.851 -0.528 1.00 72.13 H new ATOM 0 HE3 TRP A2101 -2.322 5.557 -4.692 1.00 32.03 H new ATOM 0 HZ2 TRP A2101 -5.147 6.670 -0.670 1.00 62.15 H new ATOM 0 HZ3 TRP A2101 -4.241 4.139 -4.003 1.00 23.22 H new ATOM 0 HH2 TRP A2101 -5.633 4.637 -2.068 1.00 45.45 H new ATOM 1451 N ASP A2102 1.635 6.648 -6.172 1.00 14.24 N ATOM 1452 CA ASP A2102 1.938 5.967 -7.419 1.00 33.24 C ATOM 1453 C ASP A2102 2.532 4.590 -7.111 1.00 1.41 C ATOM 1454 O ASP A2102 2.082 3.580 -7.648 1.00 0.40 O ATOM 1455 CB ASP A2102 2.962 6.750 -8.242 1.00 31.11 C ATOM 1456 CG ASP A2102 2.508 7.122 -9.655 1.00 34.12 C ATOM 1457 OD1 ASP A2102 2.637 6.326 -10.596 1.00 43.44 O ATOM 1458 OD2 ASP A2102 1.995 8.300 -9.771 1.00 11.41 O ATOM 0 H ASP A2102 2.156 7.511 -6.020 1.00 14.24 H new ATOM 0 HA ASP A2102 1.012 5.878 -7.988 1.00 33.24 H new ATOM 0 HB2 ASP A2102 3.214 7.664 -7.705 1.00 31.11 H new ATOM 0 HB3 ASP A2102 3.876 6.160 -8.314 1.00 31.11 H new ATOM 1464 N LEU A2103 3.536 4.596 -6.246 1.00 23.42 N ATOM 1465 CA LEU A2103 4.197 3.361 -5.858 1.00 62.24 C ATOM 1466 C LEU A2103 3.156 2.372 -5.333 1.00 70.40 C ATOM 1467 O LEU A2103 3.080 1.237 -5.800 1.00 1.22 O ATOM 1468 CB LEU A2103 5.329 3.646 -4.869 1.00 51.12 C ATOM 1469 CG LEU A2103 6.616 4.218 -5.468 1.00 63.31 C ATOM 1470 CD1 LEU A2103 6.459 5.705 -5.785 1.00 61.35 C ATOM 1471 CD2 LEU A2103 7.813 3.949 -4.553 1.00 73.43 C ATOM 0 H LEU A2103 3.908 5.436 -5.803 1.00 23.42 H new ATOM 0 HA LEU A2103 4.670 2.896 -6.723 1.00 62.24 H new ATOM 0 HB2 LEU A2103 4.960 4.344 -4.117 1.00 51.12 H new ATOM 0 HB3 LEU A2103 5.574 2.719 -4.351 1.00 51.12 H new ATOM 0 HG LEU A2103 6.811 3.707 -6.411 1.00 63.31 H new ATOM 0 HD11 LEU A2103 7.388 6.087 -6.209 1.00 61.35 H new ATOM 0 HD12 LEU A2103 5.650 5.841 -6.502 1.00 61.35 H new ATOM 0 HD13 LEU A2103 6.228 6.250 -4.870 1.00 61.35 H new ATOM 0 HD21 LEU A2103 8.715 4.366 -5.002 1.00 73.43 H new ATOM 0 HD22 LEU A2103 7.642 4.416 -3.583 1.00 73.43 H new ATOM 0 HD23 LEU A2103 7.936 2.874 -4.422 1.00 73.43 H new ATOM 1483 N TYR A2104 2.375 2.840 -4.368 1.00 44.24 N ATOM 1484 CA TYR A2104 1.341 2.011 -3.773 1.00 64.44 C ATOM 1485 C TYR A2104 0.368 1.501 -4.839 1.00 1.50 C ATOM 1486 O TYR A2104 0.037 0.317 -4.866 1.00 33.35 O ATOM 1487 CB TYR A2104 0.584 2.915 -2.800 1.00 11.42 C ATOM 1488 CG TYR A2104 1.404 3.341 -1.580 1.00 31.34 C ATOM 1489 CD1 TYR A2104 2.270 2.446 -0.984 1.00 34.33 C ATOM 1490 CD2 TYR A2104 1.278 4.618 -1.076 1.00 15.42 C ATOM 1491 CE1 TYR A2104 3.041 2.846 0.164 1.00 43.14 C ATOM 1492 CE2 TYR A2104 2.049 5.018 0.072 1.00 73.03 C ATOM 1493 CZ TYR A2104 2.893 4.112 0.635 1.00 34.34 C ATOM 1494 OH TYR A2104 3.622 4.490 1.720 1.00 22.24 O ATOM 0 H TYR A2104 2.439 3.783 -3.984 1.00 44.24 H new ATOM 0 HA TYR A2104 1.780 1.143 -3.281 1.00 64.44 H new ATOM 0 HB2 TYR A2104 0.253 3.807 -3.332 1.00 11.42 H new ATOM 0 HB3 TYR A2104 -0.312 2.396 -2.460 1.00 11.42 H new ATOM 0 HD1 TYR A2104 2.369 1.446 -1.379 1.00 34.33 H new ATOM 0 HD2 TYR A2104 0.601 5.318 -1.542 1.00 15.42 H new ATOM 0 HE1 TYR A2104 3.722 2.156 0.640 1.00 43.14 H new ATOM 0 HE2 TYR A2104 1.959 6.015 0.477 1.00 73.03 H new ATOM 0 HH TYR A2104 3.415 5.421 1.945 1.00 22.24 H new ATOM 1504 N TYR A2105 -0.062 2.420 -5.692 1.00 10.54 N ATOM 1505 CA TYR A2105 -0.989 2.078 -6.756 1.00 73.13 C ATOM 1506 C TYR A2105 -0.510 0.847 -7.527 1.00 72.22 C ATOM 1507 O TYR A2105 -1.280 -0.083 -7.761 1.00 72.04 O ATOM 1508 CB TYR A2105 -1.009 3.281 -7.700 1.00 11.23 C ATOM 1509 CG TYR A2105 -2.183 3.284 -8.681 1.00 65.32 C ATOM 1510 CD1 TYR A2105 -3.048 2.208 -8.723 1.00 43.45 C ATOM 1511 CD2 TYR A2105 -2.379 4.359 -9.523 1.00 53.43 C ATOM 1512 CE1 TYR A2105 -4.153 2.210 -9.648 1.00 11.24 C ATOM 1513 CE2 TYR A2105 -3.483 4.361 -10.447 1.00 75.33 C ATOM 1514 CZ TYR A2105 -4.316 3.287 -10.463 1.00 32.35 C ATOM 1515 OH TYR A2105 -5.359 3.287 -11.335 1.00 75.14 O ATOM 0 H TYR A2105 0.215 3.401 -5.667 1.00 10.54 H new ATOM 0 HA TYR A2105 -1.974 1.850 -6.348 1.00 73.13 H new ATOM 0 HB2 TYR A2105 -1.043 4.195 -7.107 1.00 11.23 H new ATOM 0 HB3 TYR A2105 -0.077 3.302 -8.265 1.00 11.23 H new ATOM 0 HD1 TYR A2105 -2.896 1.366 -8.063 1.00 43.45 H new ATOM 0 HD2 TYR A2105 -1.703 5.201 -9.489 1.00 53.43 H new ATOM 0 HE1 TYR A2105 -4.837 1.375 -9.693 1.00 11.24 H new ATOM 0 HE2 TYR A2105 -3.646 5.196 -11.112 1.00 75.33 H new ATOM 0 HH TYR A2105 -5.353 4.119 -11.853 1.00 75.14 H new ATOM 1525 N HIS A2106 0.761 0.881 -7.903 1.00 43.42 N ATOM 1526 CA HIS A2106 1.353 -0.220 -8.643 1.00 31.44 C ATOM 1527 C HIS A2106 1.324 -1.488 -7.787 1.00 54.43 C ATOM 1528 O HIS A2106 1.095 -2.582 -8.301 1.00 60.12 O ATOM 1529 CB HIS A2106 2.761 0.141 -9.121 1.00 62.00 C ATOM 1530 CG HIS A2106 2.808 1.332 -10.047 1.00 72.45 C ATOM 1531 ND1 HIS A2106 3.985 1.808 -10.598 1.00 3.12 N ATOM 1532 CD2 HIS A2106 1.812 2.138 -10.516 1.00 12.54 C ATOM 1533 CE1 HIS A2106 3.698 2.853 -11.359 1.00 42.05 C ATOM 1534 NE2 HIS A2106 2.351 3.057 -11.308 1.00 21.10 N ATOM 0 H HIS A2106 1.397 1.654 -7.708 1.00 43.42 H new ATOM 0 HA HIS A2106 0.767 -0.416 -9.541 1.00 31.44 H new ATOM 0 HB2 HIS A2106 3.388 0.344 -8.253 1.00 62.00 H new ATOM 0 HB3 HIS A2106 3.192 -0.720 -9.631 1.00 62.00 H new ATOM 0 HD2 HIS A2106 0.762 2.044 -10.282 1.00 12.54 H new ATOM 0 HE1 HIS A2106 4.407 3.441 -11.922 1.00 42.05 H new ATOM 0 HE2 HIS A2106 1.842 3.793 -11.797 1.00 21.10 H new ATOM 1543 N VAL A2107 1.559 -1.298 -6.498 1.00 33.21 N ATOM 1544 CA VAL A2107 1.565 -2.413 -5.566 1.00 34.30 C ATOM 1545 C VAL A2107 0.137 -2.943 -5.405 1.00 3.11 C ATOM 1546 O VAL A2107 -0.120 -4.123 -5.638 1.00 3.35 O ATOM 1547 CB VAL A2107 2.195 -1.984 -4.241 1.00 12.25 C ATOM 1548 CG1 VAL A2107 1.583 -2.754 -3.067 1.00 3.20 C ATOM 1549 CG2 VAL A2107 3.716 -2.156 -4.276 1.00 35.45 C ATOM 0 H VAL A2107 1.747 -0.388 -6.076 1.00 33.21 H new ATOM 0 HA VAL A2107 2.175 -3.230 -5.951 1.00 34.30 H new ATOM 0 HB VAL A2107 1.980 -0.925 -4.095 1.00 12.25 H new ATOM 0 HG11 VAL A2107 2.049 -2.430 -2.137 1.00 3.20 H new ATOM 0 HG12 VAL A2107 0.511 -2.559 -3.023 1.00 3.20 H new ATOM 0 HG13 VAL A2107 1.752 -3.822 -3.204 1.00 3.20 H new ATOM 0 HG21 VAL A2107 4.140 -1.844 -3.321 1.00 35.45 H new ATOM 0 HG22 VAL A2107 3.960 -3.203 -4.456 1.00 35.45 H new ATOM 0 HG23 VAL A2107 4.133 -1.544 -5.076 1.00 35.45 H new ATOM 1559 N PHE A2108 -0.753 -2.045 -5.009 1.00 13.31 N ATOM 1560 CA PHE A2108 -2.146 -2.407 -4.814 1.00 1.42 C ATOM 1561 C PHE A2108 -2.785 -2.853 -6.132 1.00 13.41 C ATOM 1562 O PHE A2108 -3.710 -3.664 -6.133 1.00 42.32 O ATOM 1563 CB PHE A2108 -2.867 -1.156 -4.308 1.00 24.04 C ATOM 1564 CG PHE A2108 -2.740 -0.933 -2.798 1.00 71.25 C ATOM 1565 CD1 PHE A2108 -1.656 -0.284 -2.297 1.00 73.42 C ATOM 1566 CD2 PHE A2108 -3.712 -1.383 -1.961 1.00 65.45 C ATOM 1567 CE1 PHE A2108 -1.538 -0.076 -0.898 1.00 4.15 C ATOM 1568 CE2 PHE A2108 -3.595 -1.177 -0.561 1.00 54.34 C ATOM 1569 CZ PHE A2108 -2.510 -0.527 -0.061 1.00 31.05 C ATOM 0 H PHE A2108 -0.536 -1.067 -4.818 1.00 13.31 H new ATOM 0 HA PHE A2108 -2.221 -3.233 -4.107 1.00 1.42 H new ATOM 0 HB2 PHE A2108 -2.470 -0.285 -4.828 1.00 24.04 H new ATOM 0 HB3 PHE A2108 -3.923 -1.228 -4.567 1.00 24.04 H new ATOM 0 HD1 PHE A2108 -0.885 0.073 -2.963 1.00 73.42 H new ATOM 0 HD2 PHE A2108 -4.573 -1.897 -2.361 1.00 65.45 H new ATOM 0 HE1 PHE A2108 -0.677 0.440 -0.499 1.00 4.15 H new ATOM 0 HE2 PHE A2108 -4.366 -1.536 0.105 1.00 54.34 H new ATOM 0 HZ PHE A2108 -2.420 -0.369 1.004 1.00 31.05 H new ATOM 1579 N ARG A2109 -2.267 -2.302 -7.219 1.00 32.42 N ATOM 1580 CA ARG A2109 -2.776 -2.633 -8.540 1.00 12.51 C ATOM 1581 C ARG A2109 -2.266 -4.008 -8.976 1.00 74.42 C ATOM 1582 O ARG A2109 -2.943 -4.717 -9.721 1.00 0.35 O ATOM 1583 CB ARG A2109 -2.351 -1.586 -9.572 1.00 14.14 C ATOM 1584 CG ARG A2109 -2.840 -1.965 -10.971 1.00 21.12 C ATOM 1585 CD ARG A2109 -2.054 -1.215 -12.048 1.00 52.21 C ATOM 1586 NE ARG A2109 -2.964 -0.792 -13.135 1.00 4.30 N ATOM 1587 CZ ARG A2109 -2.550 -0.266 -14.309 1.00 12.40 C ATOM 1588 NH1 ARG A2109 -1.233 -0.095 -14.554 1.00 64.05 N ATOM 1589 NH2 ARG A2109 -3.450 0.078 -15.210 1.00 34.13 N ATOM 0 H ARG A2109 -1.501 -1.629 -7.213 1.00 32.42 H new ATOM 0 HA ARG A2109 -3.864 -2.648 -8.483 1.00 12.51 H new ATOM 0 HB2 ARG A2109 -2.753 -0.612 -9.294 1.00 14.14 H new ATOM 0 HB3 ARG A2109 -1.265 -1.493 -9.575 1.00 14.14 H new ATOM 0 HG2 ARG A2109 -2.732 -3.040 -11.119 1.00 21.12 H new ATOM 0 HG3 ARG A2109 -3.901 -1.735 -11.064 1.00 21.12 H new ATOM 0 HD2 ARG A2109 -1.564 -0.344 -11.613 1.00 52.21 H new ATOM 0 HD3 ARG A2109 -1.268 -1.855 -12.449 1.00 52.21 H new ATOM 0 HE ARG A2109 -3.967 -0.904 -12.989 1.00 4.30 H new ATOM 0 HH11 ARG A2109 -0.544 -0.363 -13.851 1.00 64.05 H new ATOM 0 HH12 ARG A2109 -0.927 0.303 -15.442 1.00 64.05 H new ATOM 0 HH21 ARG A2109 -4.443 -0.054 -15.016 1.00 34.13 H new ATOM 0 HH22 ARG A2109 -3.153 0.476 -16.101 1.00 34.13 H new ATOM 1601 N ARG A2110 -1.076 -4.341 -8.498 1.00 32.52 N ATOM 1602 CA ARG A2110 -0.468 -5.618 -8.829 1.00 14.11 C ATOM 1603 C ARG A2110 -1.185 -6.754 -8.097 1.00 12.55 C ATOM 1604 O ARG A2110 -1.588 -7.738 -8.714 1.00 63.11 O ATOM 1605 CB ARG A2110 1.015 -5.635 -8.454 1.00 64.45 C ATOM 1606 CG ARG A2110 1.848 -4.865 -9.482 1.00 3.54 C ATOM 1607 CD ARG A2110 2.347 -5.794 -10.591 1.00 23.21 C ATOM 1608 NE ARG A2110 2.721 -5.004 -11.784 1.00 72.24 N ATOM 1609 CZ ARG A2110 1.834 -4.362 -12.576 1.00 3.21 C ATOM 1610 NH1 ARG A2110 0.513 -4.414 -12.307 1.00 2.00 N ATOM 1611 NH2 ARG A2110 2.281 -3.684 -13.617 1.00 14.45 N ATOM 0 H ARG A2110 -0.517 -3.749 -7.884 1.00 32.52 H new ATOM 0 HA ARG A2110 -0.561 -5.760 -9.906 1.00 14.11 H new ATOM 0 HB2 ARG A2110 1.150 -5.193 -7.467 1.00 64.45 H new ATOM 0 HB3 ARG A2110 1.367 -6.665 -8.393 1.00 64.45 H new ATOM 0 HG2 ARG A2110 1.248 -4.065 -9.916 1.00 3.54 H new ATOM 0 HG3 ARG A2110 2.698 -4.394 -8.988 1.00 3.54 H new ATOM 0 HD2 ARG A2110 3.206 -6.365 -10.239 1.00 23.21 H new ATOM 0 HD3 ARG A2110 1.571 -6.514 -10.850 1.00 23.21 H new ATOM 0 HE ARG A2110 3.710 -4.940 -12.024 1.00 72.24 H new ATOM 0 HH11 ARG A2110 0.177 -4.941 -11.501 1.00 2.00 H new ATOM 0 HH12 ARG A2110 -0.150 -3.927 -12.910 1.00 2.00 H new ATOM 0 HH21 ARG A2110 3.282 -3.651 -13.813 1.00 14.45 H new ATOM 0 HH22 ARG A2110 1.626 -3.193 -14.226 1.00 14.45 H new ATOM 1623 N ILE A2111 -1.321 -6.580 -6.790 1.00 63.01 N ATOM 1624 CA ILE A2111 -1.981 -7.580 -5.967 1.00 54.04 C ATOM 1625 C ILE A2111 -3.235 -8.079 -6.687 1.00 75.21 C ATOM 1626 O ILE A2111 -3.624 -9.236 -6.533 1.00 73.45 O ATOM 1627 CB ILE A2111 -2.257 -7.023 -4.568 1.00 23.32 C ATOM 1628 CG1 ILE A2111 -2.910 -5.643 -4.645 1.00 54.01 C ATOM 1629 CG2 ILE A2111 -0.980 -7.006 -3.725 1.00 51.32 C ATOM 1630 CD1 ILE A2111 -3.294 -5.140 -3.252 1.00 71.32 C ATOM 0 H ILE A2111 -0.986 -5.762 -6.281 1.00 63.01 H new ATOM 0 HA ILE A2111 -1.332 -8.443 -5.821 1.00 54.04 H new ATOM 0 HB ILE A2111 -2.965 -7.686 -4.070 1.00 23.32 H new ATOM 0 HG12 ILE A2111 -2.224 -4.938 -5.114 1.00 54.01 H new ATOM 0 HG13 ILE A2111 -3.798 -5.691 -5.276 1.00 54.01 H new ATOM 0 HG21 ILE A2111 -1.202 -6.606 -2.736 1.00 51.32 H new ATOM 0 HG22 ILE A2111 -0.595 -8.021 -3.628 1.00 51.32 H new ATOM 0 HG23 ILE A2111 -0.232 -6.379 -4.210 1.00 51.32 H new ATOM 0 HD11 ILE A2111 -3.756 -4.156 -3.335 1.00 71.32 H new ATOM 0 HD12 ILE A2111 -3.999 -5.835 -2.796 1.00 71.32 H new ATOM 0 HD13 ILE A2111 -2.401 -5.070 -2.632 1.00 71.32 H new ATOM 1642 N SER A2112 -3.833 -7.183 -7.459 1.00 11.54 N ATOM 1643 CA SER A2112 -5.035 -7.518 -8.204 1.00 53.22 C ATOM 1644 C SER A2112 -4.660 -8.167 -9.538 1.00 15.01 C ATOM 1645 O SER A2112 -5.127 -9.260 -9.853 1.00 34.44 O ATOM 1646 CB SER A2112 -5.899 -6.278 -8.442 1.00 51.22 C ATOM 1647 OG SER A2112 -6.782 -6.024 -7.350 1.00 23.44 O ATOM 0 H SER A2112 -3.507 -6.225 -7.585 1.00 11.54 H new ATOM 0 HA SER A2112 -5.617 -8.226 -7.614 1.00 53.22 H new ATOM 0 HB2 SER A2112 -5.255 -5.412 -8.597 1.00 51.22 H new ATOM 0 HB3 SER A2112 -6.480 -6.411 -9.355 1.00 51.22 H new ATOM 0 HG SER A2112 -7.315 -5.224 -7.540 1.00 23.44 H new ATOM 1653 N LYS A2113 -3.821 -7.465 -10.285 1.00 4.14 N ATOM 1654 CA LYS A2113 -3.378 -7.960 -11.577 1.00 4.53 C ATOM 1655 C LYS A2113 -3.097 -9.460 -11.476 1.00 3.22 C ATOM 1656 O LYS A2113 -2.349 -9.899 -10.603 1.00 53.33 O ATOM 1657 CB LYS A2113 -2.186 -7.146 -12.084 1.00 55.24 C ATOM 1658 CG LYS A2113 -2.566 -6.326 -13.318 1.00 61.51 C ATOM 1659 CD LYS A2113 -2.320 -7.121 -14.602 1.00 20.35 C ATOM 1660 CE LYS A2113 -2.302 -6.201 -15.824 1.00 33.34 C ATOM 1661 NZ LYS A2113 -3.378 -6.573 -16.769 1.00 34.24 N ATOM 0 H LYS A2113 -3.437 -6.558 -10.021 1.00 4.14 H new ATOM 0 HA LYS A2113 -4.163 -7.831 -12.322 1.00 4.53 H new ATOM 0 HB2 LYS A2113 -1.834 -6.481 -11.296 1.00 55.24 H new ATOM 0 HB3 LYS A2113 -1.361 -7.816 -12.328 1.00 55.24 H new ATOM 0 HG2 LYS A2113 -3.616 -6.039 -13.259 1.00 61.51 H new ATOM 0 HG3 LYS A2113 -1.985 -5.404 -13.340 1.00 61.51 H new ATOM 0 HD2 LYS A2113 -1.371 -7.652 -14.529 1.00 20.35 H new ATOM 0 HD3 LYS A2113 -3.098 -7.875 -14.722 1.00 20.35 H new ATOM 0 HE2 LYS A2113 -2.429 -5.165 -15.509 1.00 33.34 H new ATOM 0 HE3 LYS A2113 -1.334 -6.266 -16.322 1.00 33.34 H new ATOM 0 HZ1 LYS A2113 -3.351 -5.939 -17.593 1.00 34.24 H new ATOM 0 HZ2 LYS A2113 -3.240 -7.555 -17.084 1.00 34.24 H new ATOM 0 HZ3 LYS A2113 -4.300 -6.488 -16.296 1.00 34.24 H new ATOM 1674 N GLN A2114 -3.713 -10.209 -12.380 1.00 10.45 N ATOM 1675 CA GLN A2114 -3.539 -11.650 -12.404 1.00 3.43 C ATOM 1676 C GLN A2114 -3.107 -12.111 -13.796 1.00 44.23 C ATOM 1677 O GLN A2114 -1.933 -12.406 -14.020 1.00 21.41 O ATOM 1678 CB GLN A2114 -4.818 -12.363 -11.962 1.00 62.31 C ATOM 1679 CG GLN A2114 -4.561 -13.853 -11.725 1.00 34.24 C ATOM 1680 CD GLN A2114 -4.316 -14.138 -10.241 1.00 40.11 C ATOM 1681 OE1 GLN A2114 -4.781 -13.432 -9.362 1.00 62.31 O ATOM 1682 NE2 GLN A2114 -3.560 -15.208 -10.015 1.00 4.33 N ATOM 0 H GLN A2114 -4.334 -9.843 -13.102 1.00 10.45 H new ATOM 0 HA GLN A2114 -2.752 -11.913 -11.697 1.00 3.43 H new ATOM 0 HB2 GLN A2114 -5.196 -11.906 -11.048 1.00 62.31 H new ATOM 0 HB3 GLN A2114 -5.589 -12.240 -12.723 1.00 62.31 H new ATOM 0 HG2 GLN A2114 -5.415 -14.433 -12.074 1.00 34.24 H new ATOM 0 HG3 GLN A2114 -3.698 -14.174 -12.308 1.00 34.24 H new ATOM 0 HE21 GLN A2114 -3.203 -15.755 -10.798 1.00 4.33 H new ATOM 0 HE22 GLN A2114 -3.337 -15.482 -9.058 1.00 4.33 H new TER 1691 GLN A2114