USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=22 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: A2085 CYS SG : rot 151:sc= 0.493 USER MOD Set 1.2: A2104 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.1: A2026 MET CE :methyl 156:sc= -4.32! (180deg=-1.7) USER MOD Set 2.2: A2057 MET CE :methyl 146:sc= -4.27! (180deg=-0.0015) USER MOD Set 2.3: A2058 MET CE :methyl 144:sc= -21.8! (180deg=-12!) USER MOD Set 3.1: A2038 TYR OH : rot -140:sc= 0.797 USER MOD Set 3.2: A2098 THR OG1 : rot -41:sc= 0.831 USER MOD Single : A2014 MET CE :methyl -150:sc= -0.126 (180deg=-0.638) USER MOD Single : A2024 HIS : no HE2:sc= -0.441 X(o=-0.44,f=-0.56) USER MOD Single : A2028 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-0.98) USER MOD Single : A2035 SER OG : rot -101:sc= 0.651 USER MOD Single : A2043 ASN : amide:sc= -0.988 K(o=-0.99,f=-2.4!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -139:sc= -10.2! (180deg=-17.8!) USER MOD Single : A2055 HIS : no HD1:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A2063 GLN : amide:sc= -0.205 K(o=-0.2,f=-3.4!) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.546! USER MOD Single : A2066 LYS NZ :NH3+ 150:sc= -0.101 (180deg=-0.451) USER MOD Single : A2068 THR OG1 : rot 71:sc= 0.234 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -1.54! C(o=-1.5!,f=-4.6!) USER MOD Single : A2072 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.6!) USER MOD Single : A2074 TYR OH : rot -155:sc= 0.29 USER MOD Single : A2079 MET CE :methyl 165:sc= -0.293 (180deg=-0.495) USER MOD Single : A2082 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -112:sc= -7.55! (180deg=-13.5!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 60:sc= 0.579 USER MOD Single : A2093 ASN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2099 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.31) 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= -0.0133 X(o=-0.013,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 2.464 -19.073 -7.483 1.00 25.04 N ATOM 2 CA MET A2014 1.022 -19.113 -7.663 1.00 1.21 C ATOM 3 C MET A2014 0.454 -17.704 -7.847 1.00 11.32 C ATOM 4 O MET A2014 0.344 -16.946 -6.884 1.00 55.32 O ATOM 5 CB MET A2014 0.375 -19.771 -6.442 1.00 62.15 C ATOM 6 CG MET A2014 0.058 -21.242 -6.716 1.00 72.32 C ATOM 7 SD MET A2014 0.599 -22.249 -5.345 1.00 32.42 S ATOM 8 CE MET A2014 2.366 -22.059 -5.498 1.00 53.22 C ATOM 0 HA MET A2014 0.801 -19.693 -8.559 1.00 1.21 H new ATOM 0 HB2 MET A2014 1.044 -19.693 -5.585 1.00 62.15 H new ATOM 0 HB3 MET A2014 -0.541 -19.240 -6.181 1.00 62.15 H new ATOM 0 HG2 MET A2014 -1.014 -21.369 -6.871 1.00 72.32 H new ATOM 0 HG3 MET A2014 0.553 -21.565 -7.632 1.00 72.32 H new ATOM 0 HE1 MET A2014 2.862 -22.957 -5.130 1.00 53.22 H new ATOM 0 HE2 MET A2014 2.626 -21.904 -6.545 1.00 53.22 H new ATOM 0 HE3 MET A2014 2.692 -21.199 -4.912 1.00 53.22 H new ATOM 18 N GLU A2015 0.107 -17.398 -9.087 1.00 51.24 N ATOM 19 CA GLU A2015 -0.448 -16.095 -9.409 1.00 35.13 C ATOM 20 C GLU A2015 -1.921 -16.226 -9.803 1.00 40.41 C ATOM 21 O GLU A2015 -2.619 -15.225 -9.953 1.00 42.43 O ATOM 22 CB GLU A2015 0.358 -15.414 -10.517 1.00 31.11 C ATOM 23 CG GLU A2015 0.464 -16.316 -11.750 1.00 14.10 C ATOM 24 CD GLU A2015 1.838 -16.987 -11.820 1.00 73.24 C ATOM 25 OE1 GLU A2015 2.446 -17.265 -10.776 1.00 31.52 O ATOM 26 OE2 GLU A2015 2.270 -17.220 -13.014 1.00 51.42 O ATOM 0 H GLU A2015 0.199 -18.030 -9.882 1.00 51.24 H new ATOM 0 HA GLU A2015 -0.385 -15.466 -8.521 1.00 35.13 H new ATOM 0 HB2 GLU A2015 -0.117 -14.472 -10.791 1.00 31.11 H new ATOM 0 HB3 GLU A2015 1.356 -15.174 -10.151 1.00 31.11 H new ATOM 0 HG2 GLU A2015 -0.315 -17.077 -11.717 1.00 14.10 H new ATOM 0 HG3 GLU A2015 0.296 -15.727 -12.652 1.00 14.10 H new ATOM 34 N LEU A2016 -2.349 -17.470 -9.959 1.00 3.21 N ATOM 35 CA LEU A2016 -3.726 -17.746 -10.333 1.00 0.11 C ATOM 36 C LEU A2016 -4.577 -17.870 -9.069 1.00 75.15 C ATOM 37 O LEU A2016 -4.056 -17.815 -7.956 1.00 53.31 O ATOM 38 CB LEU A2016 -3.798 -18.972 -11.245 1.00 23.01 C ATOM 39 CG LEU A2016 -3.846 -18.687 -12.747 1.00 64.03 C ATOM 40 CD1 LEU A2016 -5.122 -17.931 -13.121 1.00 71.44 C ATOM 41 CD2 LEU A2016 -2.586 -17.952 -13.207 1.00 34.22 C ATOM 0 H LEU A2016 -1.767 -18.298 -9.833 1.00 3.21 H new ATOM 0 HA LEU A2016 -4.136 -16.920 -10.915 1.00 0.11 H new ATOM 0 HB2 LEU A2016 -2.932 -19.603 -11.042 1.00 23.01 H new ATOM 0 HB3 LEU A2016 -4.683 -19.549 -10.976 1.00 23.01 H new ATOM 0 HG LEU A2016 -3.871 -19.640 -13.275 1.00 64.03 H new ATOM 0 HD11 LEU A2016 -5.131 -17.741 -14.194 1.00 71.44 H new ATOM 0 HD12 LEU A2016 -5.992 -18.530 -12.851 1.00 71.44 H new ATOM 0 HD13 LEU A2016 -5.154 -16.983 -12.584 1.00 71.44 H new ATOM 0 HD21 LEU A2016 -2.646 -17.762 -14.279 1.00 34.22 H new ATOM 0 HD22 LEU A2016 -2.503 -17.005 -12.675 1.00 34.22 H new ATOM 0 HD23 LEU A2016 -1.710 -18.565 -12.996 1.00 34.22 H new ATOM 53 N ILE A2017 -5.875 -18.035 -9.281 1.00 75.22 N ATOM 54 CA ILE A2017 -6.805 -18.165 -8.173 1.00 13.24 C ATOM 55 C ILE A2017 -6.779 -16.885 -7.335 1.00 10.02 C ATOM 56 O ILE A2017 -5.747 -16.224 -7.239 1.00 41.45 O ATOM 57 CB ILE A2017 -6.503 -19.431 -7.367 1.00 5.53 C ATOM 58 CG1 ILE A2017 -7.042 -20.675 -8.078 1.00 43.43 C ATOM 59 CG2 ILE A2017 -7.036 -19.313 -5.938 1.00 2.12 C ATOM 60 CD1 ILE A2017 -8.508 -20.921 -7.716 1.00 73.44 C ATOM 0 H ILE A2017 -6.304 -18.082 -10.205 1.00 75.22 H new ATOM 0 HA ILE A2017 -7.823 -18.283 -8.544 1.00 13.24 H new ATOM 0 HB ILE A2017 -5.421 -19.541 -7.299 1.00 5.53 H new ATOM 0 HG12 ILE A2017 -6.946 -20.552 -9.157 1.00 43.43 H new ATOM 0 HG13 ILE A2017 -6.445 -21.544 -7.802 1.00 43.43 H new ATOM 0 HG21 ILE A2017 -6.808 -20.226 -5.388 1.00 2.12 H new ATOM 0 HG22 ILE A2017 -6.565 -18.464 -5.443 1.00 2.12 H new ATOM 0 HG23 ILE A2017 -8.116 -19.165 -5.963 1.00 2.12 H new ATOM 0 HD11 ILE A2017 -8.866 -21.810 -8.234 1.00 73.44 H new ATOM 0 HD12 ILE A2017 -8.597 -21.068 -6.640 1.00 73.44 H new ATOM 0 HD13 ILE A2017 -9.106 -20.061 -8.016 1.00 73.44 H new ATOM 72 N ARG A2018 -7.928 -16.573 -6.752 1.00 24.04 N ATOM 73 CA ARG A2018 -8.050 -15.385 -5.928 1.00 1.44 C ATOM 74 C ARG A2018 -8.945 -15.666 -4.720 1.00 73.33 C ATOM 75 O ARG A2018 -9.920 -16.409 -4.825 1.00 14.43 O ATOM 76 CB ARG A2018 -8.633 -14.217 -6.727 1.00 45.02 C ATOM 77 CG ARG A2018 -7.567 -13.571 -7.612 1.00 31.10 C ATOM 78 CD ARG A2018 -6.760 -12.531 -6.829 1.00 21.44 C ATOM 79 NE ARG A2018 -5.795 -13.210 -5.934 1.00 33.42 N ATOM 80 CZ ARG A2018 -4.664 -13.811 -6.356 1.00 42.11 C ATOM 81 NH1 ARG A2018 -4.344 -13.825 -7.669 1.00 74.01 N ATOM 82 NH2 ARG A2018 -3.875 -14.386 -5.468 1.00 62.30 N ATOM 0 H ARG A2018 -8.782 -17.124 -6.835 1.00 24.04 H new ATOM 0 HA ARG A2018 -7.051 -15.114 -5.588 1.00 1.44 H new ATOM 0 HB2 ARG A2018 -9.458 -14.571 -7.345 1.00 45.02 H new ATOM 0 HB3 ARG A2018 -9.043 -13.473 -6.044 1.00 45.02 H new ATOM 0 HG2 ARG A2018 -6.898 -14.339 -8.000 1.00 31.10 H new ATOM 0 HG3 ARG A2018 -8.041 -13.097 -8.471 1.00 31.10 H new ATOM 0 HD2 ARG A2018 -6.229 -11.875 -7.519 1.00 21.44 H new ATOM 0 HD3 ARG A2018 -7.431 -11.902 -6.244 1.00 21.44 H new ATOM 0 HE ARG A2018 -5.999 -13.224 -4.935 1.00 33.42 H new ATOM 0 HH11 ARG A2018 -4.960 -13.379 -8.349 1.00 74.01 H new ATOM 0 HH12 ARG A2018 -3.487 -14.282 -7.980 1.00 74.01 H new ATOM 0 HH21 ARG A2018 -4.124 -14.371 -4.479 1.00 62.30 H new ATOM 0 HH22 ARG A2018 -3.016 -14.845 -5.771 1.00 62.30 H new ATOM 94 N VAL A2019 -8.583 -15.056 -3.600 1.00 34.01 N ATOM 95 CA VAL A2019 -9.342 -15.232 -2.373 1.00 43.13 C ATOM 96 C VAL A2019 -9.682 -13.860 -1.787 1.00 44.35 C ATOM 97 O VAL A2019 -8.834 -12.968 -1.753 1.00 4.40 O ATOM 98 CB VAL A2019 -8.567 -16.122 -1.400 1.00 41.10 C ATOM 99 CG1 VAL A2019 -7.059 -15.976 -1.606 1.00 51.43 C ATOM 100 CG2 VAL A2019 -8.956 -15.820 0.049 1.00 44.21 C ATOM 0 H VAL A2019 -7.775 -14.440 -3.517 1.00 34.01 H new ATOM 0 HA VAL A2019 -10.284 -15.741 -2.577 1.00 43.13 H new ATOM 0 HB VAL A2019 -8.834 -17.158 -1.608 1.00 41.10 H new ATOM 0 HG11 VAL A2019 -6.532 -16.619 -0.902 1.00 51.43 H new ATOM 0 HG12 VAL A2019 -6.801 -16.265 -2.625 1.00 51.43 H new ATOM 0 HG13 VAL A2019 -6.768 -14.939 -1.439 1.00 51.43 H new ATOM 0 HG21 VAL A2019 -8.390 -16.467 0.720 1.00 44.21 H new ATOM 0 HG22 VAL A2019 -8.733 -14.778 0.276 1.00 44.21 H new ATOM 0 HG23 VAL A2019 -10.022 -16.000 0.185 1.00 44.21 H new ATOM 110 N PRO A2020 -10.955 -13.728 -1.328 1.00 1.30 N ATOM 111 CA PRO A2020 -11.415 -12.480 -0.746 1.00 31.40 C ATOM 112 C PRO A2020 -10.851 -12.292 0.664 1.00 52.20 C ATOM 113 O PRO A2020 -10.749 -11.167 1.151 1.00 32.33 O ATOM 114 CB PRO A2020 -12.933 -12.571 -0.771 1.00 44.25 C ATOM 115 CG PRO A2020 -13.260 -14.045 -0.936 1.00 32.21 C ATOM 116 CD PRO A2020 -11.986 -14.761 -1.352 1.00 24.45 C ATOM 0 HA PRO A2020 -11.072 -11.606 -1.299 1.00 31.40 H new ATOM 0 HB2 PRO A2020 -13.363 -12.176 0.150 1.00 44.25 H new ATOM 0 HB3 PRO A2020 -13.346 -11.985 -1.592 1.00 44.25 H new ATOM 0 HG2 PRO A2020 -13.643 -14.458 -0.003 1.00 32.21 H new ATOM 0 HG3 PRO A2020 -14.038 -14.182 -1.688 1.00 32.21 H new ATOM 0 HD2 PRO A2020 -11.747 -15.575 -0.667 1.00 24.45 H new ATOM 0 HD3 PRO A2020 -12.084 -15.199 -2.345 1.00 24.45 H new ATOM 124 N ILE A2021 -10.502 -13.412 1.280 1.00 12.21 N ATOM 125 CA ILE A2021 -9.951 -13.385 2.625 1.00 41.44 C ATOM 126 C ILE A2021 -8.446 -13.655 2.562 1.00 65.41 C ATOM 127 O ILE A2021 -8.020 -14.808 2.556 1.00 0.55 O ATOM 128 CB ILE A2021 -10.710 -14.351 3.536 1.00 71.41 C ATOM 129 CG1 ILE A2021 -10.891 -15.712 2.861 1.00 64.42 C ATOM 130 CG2 ILE A2021 -12.046 -13.750 3.980 1.00 14.11 C ATOM 131 CD1 ILE A2021 -12.187 -15.752 2.048 1.00 20.34 C ATOM 0 H ILE A2021 -10.590 -14.343 0.873 1.00 12.21 H new ATOM 0 HA ILE A2021 -10.080 -12.397 3.068 1.00 41.44 H new ATOM 0 HB ILE A2021 -10.115 -14.513 4.435 1.00 71.41 H new ATOM 0 HG12 ILE A2021 -10.042 -15.914 2.209 1.00 64.42 H new ATOM 0 HG13 ILE A2021 -10.907 -16.498 3.616 1.00 64.42 H new ATOM 0 HG21 ILE A2021 -12.566 -14.457 4.627 1.00 14.11 H new ATOM 0 HG22 ILE A2021 -11.865 -12.824 4.526 1.00 14.11 H new ATOM 0 HG23 ILE A2021 -12.660 -13.541 3.104 1.00 14.11 H new ATOM 0 HD11 ILE A2021 -12.292 -16.730 1.578 1.00 20.34 H new ATOM 0 HD12 ILE A2021 -13.036 -15.573 2.708 1.00 20.34 H new ATOM 0 HD13 ILE A2021 -12.157 -14.981 1.278 1.00 20.34 H new ATOM 143 N LEU A2022 -7.684 -12.571 2.512 1.00 13.14 N ATOM 144 CA LEU A2022 -6.236 -12.676 2.449 1.00 24.53 C ATOM 145 C LEU A2022 -5.619 -11.291 2.648 1.00 32.24 C ATOM 146 O LEU A2022 -6.264 -10.393 3.186 1.00 23.00 O ATOM 147 CB LEU A2022 -5.807 -13.363 1.151 1.00 64.15 C ATOM 148 CG LEU A2022 -4.883 -14.572 1.303 1.00 22.24 C ATOM 149 CD1 LEU A2022 -3.631 -14.208 2.101 1.00 13.51 C ATOM 150 CD2 LEU A2022 -5.632 -15.757 1.918 1.00 43.03 C ATOM 0 H LEU A2022 -8.043 -11.616 2.514 1.00 13.14 H new ATOM 0 HA LEU A2022 -5.863 -13.308 3.255 1.00 24.53 H new ATOM 0 HB2 LEU A2022 -6.703 -13.681 0.619 1.00 64.15 H new ATOM 0 HB3 LEU A2022 -5.307 -12.626 0.522 1.00 64.15 H new ATOM 0 HG LEU A2022 -4.553 -14.879 0.311 1.00 22.24 H new ATOM 0 HD11 LEU A2022 -2.991 -15.085 2.194 1.00 13.51 H new ATOM 0 HD12 LEU A2022 -3.088 -13.416 1.585 1.00 13.51 H new ATOM 0 HD13 LEU A2022 -3.920 -13.862 3.094 1.00 13.51 H new ATOM 0 HD21 LEU A2022 -4.954 -16.605 2.016 1.00 43.03 H new ATOM 0 HD22 LEU A2022 -6.009 -15.478 2.902 1.00 43.03 H new ATOM 0 HD23 LEU A2022 -6.467 -16.033 1.274 1.00 43.03 H new ATOM 162 N TRP A2023 -4.378 -11.163 2.203 1.00 2.11 N ATOM 163 CA TRP A2023 -3.666 -9.902 2.327 1.00 3.11 C ATOM 164 C TRP A2023 -4.286 -8.912 1.338 1.00 53.54 C ATOM 165 O TRP A2023 -4.655 -7.801 1.717 1.00 51.33 O ATOM 166 CB TRP A2023 -2.164 -10.097 2.114 1.00 22.15 C ATOM 167 CG TRP A2023 -1.358 -10.201 3.411 1.00 73.25 C ATOM 168 CD1 TRP A2023 -1.807 -10.505 4.637 1.00 4.10 C ATOM 169 CD2 TRP A2023 0.060 -9.986 3.562 1.00 63.14 C ATOM 170 NE1 TRP A2023 -0.783 -10.503 5.562 1.00 75.42 N ATOM 171 CE2 TRP A2023 0.387 -10.176 4.889 1.00 3.54 C ATOM 172 CE3 TRP A2023 1.035 -9.641 2.609 1.00 24.32 C ATOM 173 CZ2 TRP A2023 1.691 -10.045 5.383 1.00 71.14 C ATOM 174 CZ3 TRP A2023 2.333 -9.513 3.119 1.00 30.24 C ATOM 175 CH2 TRP A2023 2.678 -9.702 4.451 1.00 31.32 C ATOM 0 H TRP A2023 -3.847 -11.911 1.756 1.00 2.11 H new ATOM 0 HA TRP A2023 -3.767 -9.499 3.335 1.00 3.11 H new ATOM 0 HB2 TRP A2023 -2.005 -11.001 1.527 1.00 22.15 H new ATOM 0 HB3 TRP A2023 -1.780 -9.264 1.526 1.00 22.15 H new ATOM 0 HD1 TRP A2023 -2.838 -10.724 4.871 1.00 4.10 H new ATOM 0 HE1 TRP A2023 -0.870 -10.705 6.558 1.00 75.42 H new ATOM 0 HE3 TRP A2023 0.801 -9.487 1.566 1.00 24.32 H new ATOM 0 HZ2 TRP A2023 1.923 -10.200 6.426 1.00 71.14 H new ATOM 0 HZ3 TRP A2023 3.120 -9.249 2.429 1.00 30.24 H new ATOM 0 HH2 TRP A2023 3.704 -9.585 4.767 1.00 31.32 H new ATOM 186 N HIS A2024 -4.382 -9.349 0.092 1.00 70.41 N ATOM 187 CA HIS A2024 -4.950 -8.514 -0.952 1.00 62.43 C ATOM 188 C HIS A2024 -6.256 -7.890 -0.455 1.00 43.43 C ATOM 189 O HIS A2024 -6.675 -6.844 -0.952 1.00 22.01 O ATOM 190 CB HIS A2024 -5.129 -9.311 -2.247 1.00 22.30 C ATOM 191 CG HIS A2024 -4.029 -10.311 -2.509 1.00 24.03 C ATOM 192 ND1 HIS A2024 -4.244 -11.677 -2.512 1.00 62.11 N ATOM 193 CD2 HIS A2024 -2.704 -10.128 -2.780 1.00 21.54 C ATOM 194 CE1 HIS A2024 -3.093 -12.281 -2.773 1.00 34.00 C ATOM 195 NE2 HIS A2024 -2.140 -11.318 -2.938 1.00 1.31 N ATOM 0 H HIS A2024 -4.076 -10.271 -0.219 1.00 70.41 H new ATOM 0 HA HIS A2024 -4.264 -7.700 -1.186 1.00 62.43 H new ATOM 0 HB2 HIS A2024 -6.083 -9.837 -2.209 1.00 22.30 H new ATOM 0 HB3 HIS A2024 -5.182 -8.616 -3.085 1.00 22.30 H new ATOM 0 HD1 HIS A2024 -5.136 -12.141 -2.342 1.00 62.11 H new ATOM 0 HD2 HIS A2024 -2.200 -9.176 -2.853 1.00 21.54 H new ATOM 0 HE1 HIS A2024 -2.937 -13.347 -2.843 1.00 34.00 H new ATOM 204 N GLU A2025 -6.861 -8.555 0.517 1.00 60.13 N ATOM 205 CA GLU A2025 -8.109 -8.077 1.085 1.00 22.52 C ATOM 206 C GLU A2025 -7.865 -6.817 1.918 1.00 63.15 C ATOM 207 O GLU A2025 -8.703 -5.915 1.945 1.00 12.30 O ATOM 208 CB GLU A2025 -8.780 -9.167 1.925 1.00 74.22 C ATOM 209 CG GLU A2025 -10.210 -8.767 2.298 1.00 74.20 C ATOM 210 CD GLU A2025 -10.725 -9.605 3.471 1.00 40.41 C ATOM 211 OE1 GLU A2025 -9.922 -10.117 4.266 1.00 32.05 O ATOM 212 OE2 GLU A2025 -12.009 -9.714 3.543 1.00 45.35 O ATOM 0 H GLU A2025 -6.510 -9.421 0.926 1.00 60.13 H new ATOM 0 HA GLU A2025 -8.785 -7.824 0.268 1.00 22.52 H new ATOM 0 HB2 GLU A2025 -8.794 -10.104 1.368 1.00 74.22 H new ATOM 0 HB3 GLU A2025 -8.199 -9.343 2.831 1.00 74.22 H new ATOM 0 HG2 GLU A2025 -10.239 -7.710 2.561 1.00 74.20 H new ATOM 0 HG3 GLU A2025 -10.865 -8.899 1.437 1.00 74.20 H new ATOM 220 N MET A2026 -6.716 -6.794 2.575 1.00 33.11 N ATOM 221 CA MET A2026 -6.352 -5.659 3.406 1.00 51.52 C ATOM 222 C MET A2026 -5.970 -4.450 2.546 1.00 42.34 C ATOM 223 O MET A2026 -6.201 -3.308 2.937 1.00 72.44 O ATOM 224 CB MET A2026 -5.173 -6.038 4.304 1.00 33.43 C ATOM 225 CG MET A2026 -3.842 -5.798 3.593 1.00 3.23 C ATOM 226 SD MET A2026 -3.306 -4.115 3.853 1.00 10.20 S ATOM 227 CE MET A2026 -1.539 -4.358 3.917 1.00 2.41 C ATOM 0 H MET A2026 -6.024 -7.543 2.549 1.00 33.11 H new ATOM 0 HA MET A2026 -7.213 -5.391 4.017 1.00 51.52 H new ATOM 0 HB2 MET A2026 -5.209 -5.453 5.223 1.00 33.43 H new ATOM 0 HB3 MET A2026 -5.252 -7.087 4.590 1.00 33.43 H new ATOM 0 HG2 MET A2026 -3.089 -6.490 3.969 1.00 3.23 H new ATOM 0 HG3 MET A2026 -3.950 -5.993 2.526 1.00 3.23 H new ATOM 0 HE1 MET A2026 -1.034 -3.430 3.649 1.00 2.41 H new ATOM 0 HE2 MET A2026 -1.248 -4.651 4.926 1.00 2.41 H new ATOM 0 HE3 MET A2026 -1.254 -5.141 3.215 1.00 2.41 H new ATOM 237 N TRP A2027 -5.389 -4.746 1.392 1.00 31.51 N ATOM 238 CA TRP A2027 -4.972 -3.699 0.475 1.00 35.51 C ATOM 239 C TRP A2027 -6.232 -3.040 -0.094 1.00 2.31 C ATOM 240 O TRP A2027 -6.357 -1.817 -0.078 1.00 62.42 O ATOM 241 CB TRP A2027 -4.048 -4.256 -0.609 1.00 20.22 C ATOM 242 CG TRP A2027 -2.715 -4.787 -0.077 1.00 13.22 C ATOM 243 CD1 TRP A2027 -2.487 -5.931 0.582 1.00 71.25 C ATOM 244 CD2 TRP A2027 -1.428 -4.142 -0.187 1.00 33.35 C ATOM 245 NE1 TRP A2027 -1.153 -6.070 0.905 1.00 42.21 N ATOM 246 CE2 TRP A2027 -0.487 -4.949 0.421 1.00 74.35 C ATOM 247 CE3 TRP A2027 -1.072 -2.920 -0.780 1.00 43.44 C ATOM 248 CZ2 TRP A2027 0.871 -4.622 0.494 1.00 54.35 C ATOM 249 CZ3 TRP A2027 0.291 -2.606 -0.699 1.00 44.34 C ATOM 250 CH2 TRP A2027 1.251 -3.406 -0.091 1.00 50.20 C ATOM 0 H TRP A2027 -5.197 -5.695 1.072 1.00 31.51 H new ATOM 0 HA TRP A2027 -4.386 -2.941 0.995 1.00 35.51 H new ATOM 0 HB2 TRP A2027 -4.564 -5.060 -1.134 1.00 20.22 H new ATOM 0 HB3 TRP A2027 -3.850 -3.473 -1.341 1.00 20.22 H new ATOM 0 HD1 TRP A2027 -3.251 -6.653 0.829 1.00 71.25 H new ATOM 0 HE1 TRP A2027 -0.732 -6.852 1.407 1.00 42.21 H new ATOM 0 HE3 TRP A2027 -1.792 -2.274 -1.260 1.00 43.44 H new ATOM 0 HZ2 TRP A2027 1.588 -5.271 0.975 1.00 54.35 H new ATOM 0 HZ3 TRP A2027 0.619 -1.676 -1.140 1.00 44.34 H new ATOM 0 HH2 TRP A2027 2.284 -3.093 -0.069 1.00 50.20 H new ATOM 261 N HIS A2028 -7.131 -3.881 -0.582 1.00 31.34 N ATOM 262 CA HIS A2028 -8.376 -3.396 -1.154 1.00 62.43 C ATOM 263 C HIS A2028 -9.107 -2.527 -0.130 1.00 34.32 C ATOM 264 O HIS A2028 -9.450 -1.379 -0.415 1.00 30.33 O ATOM 265 CB HIS A2028 -9.230 -4.558 -1.663 1.00 23.33 C ATOM 266 CG HIS A2028 -10.694 -4.447 -1.307 1.00 44.54 C ATOM 267 ND1 HIS A2028 -11.519 -3.467 -1.829 1.00 3.32 N ATOM 268 CD2 HIS A2028 -11.470 -5.203 -0.479 1.00 11.12 C ATOM 269 CE1 HIS A2028 -12.735 -3.634 -1.330 1.00 53.32 C ATOM 270 NE2 HIS A2028 -12.701 -4.710 -0.493 1.00 22.05 N ATOM 0 H HIS A2028 -7.023 -4.895 -0.593 1.00 31.34 H new ATOM 0 HA HIS A2028 -8.162 -2.772 -2.022 1.00 62.43 H new ATOM 0 HB2 HIS A2028 -9.134 -4.618 -2.747 1.00 23.33 H new ATOM 0 HB3 HIS A2028 -8.837 -5.490 -1.256 1.00 23.33 H new ATOM 0 HD2 HIS A2028 -11.138 -6.058 0.091 1.00 11.12 H new ATOM 0 HE1 HIS A2028 -13.600 -3.025 -1.548 1.00 53.32 H new ATOM 0 HE2 HIS A2028 -13.493 -5.076 0.036 1.00 22.05 H new ATOM 279 N GLU A2029 -9.326 -3.105 1.042 1.00 2.05 N ATOM 280 CA GLU A2029 -10.010 -2.396 2.110 1.00 31.41 C ATOM 281 C GLU A2029 -9.167 -1.213 2.587 1.00 13.44 C ATOM 282 O GLU A2029 -9.690 -0.119 2.796 1.00 50.33 O ATOM 283 CB GLU A2029 -10.339 -3.340 3.270 1.00 70.22 C ATOM 284 CG GLU A2029 -11.425 -4.342 2.870 1.00 64.03 C ATOM 285 CD GLU A2029 -12.499 -4.446 3.956 1.00 24.31 C ATOM 286 OE1 GLU A2029 -12.221 -4.941 5.058 1.00 23.33 O ATOM 287 OE2 GLU A2029 -13.658 -3.988 3.620 1.00 22.11 O ATOM 0 H GLU A2029 -9.042 -4.056 1.275 1.00 2.05 H new ATOM 0 HA GLU A2029 -10.952 -2.010 1.720 1.00 31.41 H new ATOM 0 HB2 GLU A2029 -9.440 -3.875 3.574 1.00 70.22 H new ATOM 0 HB3 GLU A2029 -10.672 -2.761 4.131 1.00 70.22 H new ATOM 0 HG2 GLU A2029 -11.882 -4.033 1.930 1.00 64.03 H new ATOM 0 HG3 GLU A2029 -10.977 -5.321 2.701 1.00 64.03 H new ATOM 295 N GLY A2030 -7.876 -1.473 2.747 1.00 31.43 N ATOM 296 CA GLY A2030 -6.958 -0.442 3.197 1.00 4.42 C ATOM 297 C GLY A2030 -7.024 0.788 2.289 1.00 25.23 C ATOM 298 O GLY A2030 -7.415 1.868 2.726 1.00 52.40 O ATOM 0 H GLY A2030 -7.446 -2.382 2.573 1.00 31.43 H new ATOM 0 HA2 GLY A2030 -7.201 -0.156 4.220 1.00 4.42 H new ATOM 0 HA3 GLY A2030 -5.942 -0.835 3.209 1.00 4.42 H new ATOM 302 N LEU A2031 -6.637 0.581 1.038 1.00 10.43 N ATOM 303 CA LEU A2031 -6.648 1.659 0.063 1.00 12.52 C ATOM 304 C LEU A2031 -8.068 2.212 -0.063 1.00 61.41 C ATOM 305 O LEU A2031 -8.256 3.392 -0.355 1.00 1.23 O ATOM 306 CB LEU A2031 -6.051 1.187 -1.265 1.00 14.52 C ATOM 307 CG LEU A2031 -5.124 2.176 -1.973 1.00 54.02 C ATOM 308 CD1 LEU A2031 -4.042 2.692 -1.021 1.00 73.42 C ATOM 309 CD2 LEU A2031 -4.529 1.561 -3.240 1.00 11.12 C ATOM 0 H LEU A2031 -6.314 -0.317 0.678 1.00 10.43 H new ATOM 0 HA LEU A2031 -6.014 2.481 0.396 1.00 12.52 H new ATOM 0 HB2 LEU A2031 -5.497 0.266 -1.084 1.00 14.52 H new ATOM 0 HB3 LEU A2031 -6.870 0.939 -1.941 1.00 14.52 H new ATOM 0 HG LEU A2031 -5.716 3.037 -2.283 1.00 54.02 H new ATOM 0 HD11 LEU A2031 -3.397 3.393 -1.550 1.00 73.42 H new ATOM 0 HD12 LEU A2031 -4.511 3.196 -0.176 1.00 73.42 H new ATOM 0 HD13 LEU A2031 -3.447 1.854 -0.658 1.00 73.42 H new ATOM 0 HD21 LEU A2031 -3.874 2.286 -3.723 1.00 11.12 H new ATOM 0 HD22 LEU A2031 -3.956 0.672 -2.978 1.00 11.12 H new ATOM 0 HD23 LEU A2031 -5.333 1.286 -3.923 1.00 11.12 H new ATOM 321 N GLU A2032 -9.034 1.332 0.162 1.00 72.22 N ATOM 322 CA GLU A2032 -10.432 1.717 0.076 1.00 11.43 C ATOM 323 C GLU A2032 -10.707 2.922 0.978 1.00 32.02 C ATOM 324 O GLU A2032 -11.243 3.931 0.526 1.00 44.03 O ATOM 325 CB GLU A2032 -11.347 0.545 0.434 1.00 1.03 C ATOM 326 CG GLU A2032 -12.040 -0.011 -0.812 1.00 13.14 C ATOM 327 CD GLU A2032 -12.780 1.095 -1.566 1.00 63.55 C ATOM 328 OE1 GLU A2032 -13.676 1.739 -1.001 1.00 60.10 O ATOM 329 OE2 GLU A2032 -12.393 1.277 -2.783 1.00 42.30 O ATOM 0 H GLU A2032 -8.875 0.354 0.404 1.00 72.22 H new ATOM 0 HA GLU A2032 -10.647 2.002 -0.954 1.00 11.43 H new ATOM 0 HB2 GLU A2032 -10.765 -0.243 0.912 1.00 1.03 H new ATOM 0 HB3 GLU A2032 -12.096 0.871 1.156 1.00 1.03 H new ATOM 0 HG2 GLU A2032 -11.302 -0.472 -1.468 1.00 13.14 H new ATOM 0 HG3 GLU A2032 -12.743 -0.793 -0.524 1.00 13.14 H new ATOM 337 N GLU A2033 -10.328 2.775 2.240 1.00 45.23 N ATOM 338 CA GLU A2033 -10.526 3.839 3.210 1.00 52.15 C ATOM 339 C GLU A2033 -9.546 4.984 2.949 1.00 4.20 C ATOM 340 O GLU A2033 -9.949 6.144 2.857 1.00 35.34 O ATOM 341 CB GLU A2033 -10.386 3.311 4.638 1.00 5.53 C ATOM 342 CG GLU A2033 -11.493 3.861 5.538 1.00 50.44 C ATOM 343 CD GLU A2033 -12.184 2.735 6.308 1.00 32.53 C ATOM 344 OE1 GLU A2033 -11.560 1.703 6.589 1.00 4.15 O ATOM 345 OE2 GLU A2033 -13.416 2.962 6.621 1.00 31.21 O ATOM 0 H GLU A2033 -9.885 1.935 2.613 1.00 45.23 H new ATOM 0 HA GLU A2033 -11.540 4.223 3.098 1.00 52.15 H new ATOM 0 HB2 GLU A2033 -10.425 2.222 4.632 1.00 5.53 H new ATOM 0 HB3 GLU A2033 -9.413 3.593 5.040 1.00 5.53 H new ATOM 0 HG2 GLU A2033 -11.072 4.581 6.240 1.00 50.44 H new ATOM 0 HG3 GLU A2033 -12.226 4.396 4.934 1.00 50.44 H new ATOM 353 N ALA A2034 -8.277 4.621 2.836 1.00 1.41 N ATOM 354 CA ALA A2034 -7.236 5.604 2.588 1.00 21.45 C ATOM 355 C ALA A2034 -7.598 6.421 1.345 1.00 73.05 C ATOM 356 O ALA A2034 -7.556 7.651 1.372 1.00 15.13 O ATOM 357 CB ALA A2034 -5.887 4.896 2.447 1.00 21.41 C ATOM 0 H ALA A2034 -7.946 3.659 2.912 1.00 1.41 H new ATOM 0 HA ALA A2034 -7.155 6.296 3.426 1.00 21.45 H new ATOM 0 HB1 ALA A2034 -5.107 5.634 2.261 1.00 21.41 H new ATOM 0 HB2 ALA A2034 -5.663 4.354 3.366 1.00 21.41 H new ATOM 0 HB3 ALA A2034 -5.929 4.195 1.614 1.00 21.41 H new ATOM 363 N SER A2035 -7.945 5.705 0.287 1.00 60.41 N ATOM 364 CA SER A2035 -8.315 6.349 -0.962 1.00 64.44 C ATOM 365 C SER A2035 -9.492 7.299 -0.734 1.00 54.02 C ATOM 366 O SER A2035 -9.455 8.453 -1.160 1.00 33.13 O ATOM 367 CB SER A2035 -8.669 5.314 -2.033 1.00 2.14 C ATOM 368 OG SER A2035 -9.874 4.620 -1.726 1.00 33.43 O ATOM 0 H SER A2035 -7.978 4.686 0.268 1.00 60.41 H new ATOM 0 HA SER A2035 -7.458 6.921 -1.317 1.00 64.44 H new ATOM 0 HB2 SER A2035 -8.773 5.811 -2.997 1.00 2.14 H new ATOM 0 HB3 SER A2035 -7.853 4.598 -2.129 1.00 2.14 H new ATOM 0 HG SER A2035 -9.659 3.741 -1.349 1.00 33.43 H new ATOM 374 N ARG A2036 -10.509 6.780 -0.063 1.00 21.53 N ATOM 375 CA ARG A2036 -11.696 7.568 0.226 1.00 10.24 C ATOM 376 C ARG A2036 -11.306 8.884 0.903 1.00 54.22 C ATOM 377 O ARG A2036 -11.910 9.923 0.642 1.00 20.22 O ATOM 378 CB ARG A2036 -12.659 6.800 1.137 1.00 65.22 C ATOM 379 CG ARG A2036 -14.044 6.688 0.498 1.00 65.42 C ATOM 380 CD ARG A2036 -14.887 5.623 1.200 1.00 65.14 C ATOM 381 NE ARG A2036 -16.305 5.754 0.800 1.00 4.22 N ATOM 382 CZ ARG A2036 -17.327 5.113 1.408 1.00 43.42 C ATOM 383 NH1 ARG A2036 -17.093 4.290 2.452 1.00 23.23 N ATOM 384 NH2 ARG A2036 -18.555 5.303 0.965 1.00 15.32 N ATOM 0 H ARG A2036 -10.536 5.823 0.289 1.00 21.53 H new ATOM 0 HA ARG A2036 -12.196 7.775 -0.720 1.00 10.24 H new ATOM 0 HB2 ARG A2036 -12.263 5.804 1.333 1.00 65.22 H new ATOM 0 HB3 ARG A2036 -12.738 7.307 2.099 1.00 65.22 H new ATOM 0 HG2 ARG A2036 -14.551 7.651 0.550 1.00 65.42 H new ATOM 0 HG3 ARG A2036 -13.942 6.438 -0.558 1.00 65.42 H new ATOM 0 HD2 ARG A2036 -14.519 4.629 0.944 1.00 65.14 H new ATOM 0 HD3 ARG A2036 -14.794 5.729 2.281 1.00 65.14 H new ATOM 0 HE ARG A2036 -16.525 6.367 0.015 1.00 4.22 H new ATOM 0 HH11 ARG A2036 -16.140 4.149 2.787 1.00 23.23 H new ATOM 0 HH12 ARG A2036 -17.869 3.809 2.906 1.00 23.23 H new ATOM 0 HH21 ARG A2036 -18.721 5.926 0.175 1.00 15.32 H new ATOM 0 HH22 ARG A2036 -19.338 4.827 1.413 1.00 15.32 H new ATOM 396 N LEU A2037 -10.298 8.796 1.760 1.00 54.25 N ATOM 397 CA LEU A2037 -9.822 9.968 2.476 1.00 23.42 C ATOM 398 C LEU A2037 -9.088 10.890 1.503 1.00 3.32 C ATOM 399 O LEU A2037 -9.133 12.111 1.643 1.00 33.33 O ATOM 400 CB LEU A2037 -8.978 9.551 3.683 1.00 15.04 C ATOM 401 CG LEU A2037 -9.698 8.717 4.747 1.00 1.42 C ATOM 402 CD1 LEU A2037 -8.734 7.736 5.416 1.00 33.21 C ATOM 403 CD2 LEU A2037 -10.400 9.616 5.766 1.00 74.22 C ATOM 0 H LEU A2037 -9.799 7.933 1.974 1.00 54.25 H new ATOM 0 HA LEU A2037 -10.660 10.534 2.882 1.00 23.42 H new ATOM 0 HB2 LEU A2037 -8.120 8.983 3.323 1.00 15.04 H new ATOM 0 HB3 LEU A2037 -8.588 10.451 4.158 1.00 15.04 H new ATOM 0 HG LEU A2037 -10.470 8.126 4.255 1.00 1.42 H new ATOM 0 HD11 LEU A2037 -9.269 7.155 6.168 1.00 33.21 H new ATOM 0 HD12 LEU A2037 -8.320 7.063 4.665 1.00 33.21 H new ATOM 0 HD13 LEU A2037 -7.925 8.289 5.893 1.00 33.21 H new ATOM 0 HD21 LEU A2037 -10.903 8.999 6.510 1.00 74.22 H new ATOM 0 HD22 LEU A2037 -9.664 10.251 6.259 1.00 74.22 H new ATOM 0 HD23 LEU A2037 -11.134 10.240 5.256 1.00 74.22 H new ATOM 415 N TYR A2038 -8.426 10.272 0.534 1.00 53.22 N ATOM 416 CA TYR A2038 -7.682 11.022 -0.463 1.00 52.42 C ATOM 417 C TYR A2038 -8.619 11.592 -1.531 1.00 13.34 C ATOM 418 O TYR A2038 -8.660 12.804 -1.742 1.00 33.05 O ATOM 419 CB TYR A2038 -6.727 10.024 -1.120 1.00 33.33 C ATOM 420 CG TYR A2038 -5.638 10.671 -1.975 1.00 52.15 C ATOM 421 CD1 TYR A2038 -4.796 11.614 -1.421 1.00 72.14 C ATOM 422 CD2 TYR A2038 -5.498 10.315 -3.302 1.00 13.21 C ATOM 423 CE1 TYR A2038 -3.770 12.226 -2.227 1.00 14.14 C ATOM 424 CE2 TYR A2038 -4.473 10.925 -4.106 1.00 73.12 C ATOM 425 CZ TYR A2038 -3.659 11.852 -3.529 1.00 34.42 C ATOM 426 OH TYR A2038 -2.690 12.428 -4.290 1.00 12.52 O ATOM 0 H TYR A2038 -8.390 9.259 0.419 1.00 53.22 H new ATOM 0 HA TYR A2038 -7.157 11.858 -0.000 1.00 52.42 H new ATOM 0 HB2 TYR A2038 -6.254 9.424 -0.342 1.00 33.33 H new ATOM 0 HB3 TYR A2038 -7.305 9.341 -1.743 1.00 33.33 H new ATOM 0 HD1 TYR A2038 -4.906 11.893 -0.384 1.00 72.14 H new ATOM 0 HD2 TYR A2038 -6.158 9.579 -3.736 1.00 13.21 H new ATOM 0 HE1 TYR A2038 -3.104 12.965 -1.806 1.00 14.14 H new ATOM 0 HE2 TYR A2038 -4.352 10.654 -5.144 1.00 73.12 H new ATOM 0 HH TYR A2038 -3.043 12.611 -5.186 1.00 12.52 H new ATOM 436 N PHE A2039 -9.346 10.693 -2.175 1.00 61.23 N ATOM 437 CA PHE A2039 -10.278 11.091 -3.217 1.00 61.21 C ATOM 438 C PHE A2039 -11.545 11.701 -2.614 1.00 51.42 C ATOM 439 O PHE A2039 -12.019 12.738 -3.076 1.00 4.32 O ATOM 440 CB PHE A2039 -10.655 9.825 -3.988 1.00 43.23 C ATOM 441 CG PHE A2039 -9.483 9.175 -4.729 1.00 35.33 C ATOM 442 CD1 PHE A2039 -8.719 9.916 -5.574 1.00 14.33 C ATOM 443 CD2 PHE A2039 -9.208 7.857 -4.539 1.00 62.53 C ATOM 444 CE1 PHE A2039 -7.631 9.314 -6.260 1.00 72.33 C ATOM 445 CE2 PHE A2039 -8.120 7.253 -5.226 1.00 2.51 C ATOM 446 CZ PHE A2039 -7.355 7.994 -6.071 1.00 71.34 C ATOM 0 H PHE A2039 -9.309 9.689 -1.996 1.00 61.23 H new ATOM 0 HA PHE A2039 -9.817 11.839 -3.863 1.00 61.21 H new ATOM 0 HB2 PHE A2039 -11.078 9.101 -3.292 1.00 43.23 H new ATOM 0 HB3 PHE A2039 -11.436 10.069 -4.708 1.00 43.23 H new ATOM 0 HD1 PHE A2039 -8.939 10.963 -5.724 1.00 14.33 H new ATOM 0 HD2 PHE A2039 -9.816 7.270 -3.867 1.00 62.53 H new ATOM 0 HE1 PHE A2039 -7.023 9.903 -6.931 1.00 72.33 H new ATOM 0 HE2 PHE A2039 -7.901 6.206 -5.077 1.00 2.51 H new ATOM 0 HZ PHE A2039 -6.528 7.535 -6.593 1.00 71.34 H new ATOM 456 N GLY A2040 -12.056 11.034 -1.589 1.00 5.23 N ATOM 457 CA GLY A2040 -13.258 11.498 -0.919 1.00 51.21 C ATOM 458 C GLY A2040 -12.946 12.670 0.014 1.00 62.41 C ATOM 459 O GLY A2040 -13.857 13.313 0.534 1.00 71.54 O ATOM 0 H GLY A2040 -11.659 10.176 -1.207 1.00 5.23 H new ATOM 0 HA2 GLY A2040 -13.997 11.804 -1.660 1.00 51.21 H new ATOM 0 HA3 GLY A2040 -13.699 10.681 -0.348 1.00 51.21 H new ATOM 463 N GLU A2041 -11.658 12.911 0.199 1.00 53.43 N ATOM 464 CA GLU A2041 -11.215 13.995 1.061 1.00 31.04 C ATOM 465 C GLU A2041 -11.707 13.770 2.493 1.00 61.44 C ATOM 466 O GLU A2041 -12.821 13.292 2.701 1.00 50.21 O ATOM 467 CB GLU A2041 -11.686 15.350 0.525 1.00 23.42 C ATOM 468 CG GLU A2041 -11.805 16.374 1.655 1.00 13.24 C ATOM 469 CD GLU A2041 -12.031 17.781 1.098 1.00 24.54 C ATOM 470 OE1 GLU A2041 -13.175 18.258 1.061 1.00 22.33 O ATOM 471 OE2 GLU A2041 -10.965 18.384 0.692 1.00 3.23 O ATOM 0 H GLU A2041 -10.905 12.375 -0.233 1.00 53.43 H new ATOM 0 HA GLU A2041 -10.125 14.004 1.070 1.00 31.04 H new ATOM 0 HB2 GLU A2041 -10.984 15.712 -0.226 1.00 23.42 H new ATOM 0 HB3 GLU A2041 -12.651 15.234 0.031 1.00 23.42 H new ATOM 0 HG2 GLU A2041 -12.631 16.102 2.312 1.00 13.24 H new ATOM 0 HG3 GLU A2041 -10.899 16.360 2.260 1.00 13.24 H new ATOM 479 N ARG A2042 -10.853 14.125 3.441 1.00 70.20 N ATOM 480 CA ARG A2042 -11.186 13.969 4.846 1.00 71.24 C ATOM 481 C ARG A2042 -9.981 14.320 5.720 1.00 72.23 C ATOM 482 O ARG A2042 -10.085 15.152 6.621 1.00 12.21 O ATOM 483 CB ARG A2042 -11.628 12.537 5.149 1.00 33.24 C ATOM 484 CG ARG A2042 -12.480 12.482 6.420 1.00 43.45 C ATOM 485 CD ARG A2042 -12.044 13.558 7.418 1.00 30.40 C ATOM 486 NE ARG A2042 -12.865 13.472 8.646 1.00 70.24 N ATOM 487 CZ ARG A2042 -12.716 14.283 9.715 1.00 63.13 C ATOM 488 NH1 ARG A2042 -11.775 15.250 9.714 1.00 10.23 N ATOM 489 NH2 ARG A2042 -13.505 14.117 10.760 1.00 25.31 N ATOM 0 H ARG A2042 -9.930 14.521 3.263 1.00 70.20 H new ATOM 0 HA ARG A2042 -12.009 14.647 5.070 1.00 71.24 H new ATOM 0 HB2 ARG A2042 -12.198 12.143 4.308 1.00 33.24 H new ATOM 0 HB3 ARG A2042 -10.752 11.900 5.267 1.00 33.24 H new ATOM 0 HG2 ARG A2042 -13.530 12.622 6.165 1.00 43.45 H new ATOM 0 HG3 ARG A2042 -12.392 11.497 6.879 1.00 43.45 H new ATOM 0 HD2 ARG A2042 -10.990 13.430 7.666 1.00 30.40 H new ATOM 0 HD3 ARG A2042 -12.149 14.546 6.969 1.00 30.40 H new ATOM 0 HE ARG A2042 -13.589 12.755 8.687 1.00 70.24 H new ATOM 0 HH11 ARG A2042 -11.170 15.372 8.902 1.00 10.23 H new ATOM 0 HH12 ARG A2042 -11.669 15.859 10.525 1.00 10.23 H new ATOM 0 HH21 ARG A2042 -14.215 13.384 10.752 1.00 25.31 H new ATOM 0 HH22 ARG A2042 -13.405 14.721 11.576 1.00 25.31 H new ATOM 501 N ASN A2043 -8.867 13.670 5.424 1.00 43.00 N ATOM 502 CA ASN A2043 -7.644 13.904 6.172 1.00 65.15 C ATOM 503 C ASN A2043 -6.595 12.865 5.765 1.00 64.15 C ATOM 504 O ASN A2043 -6.679 11.704 6.166 1.00 43.14 O ATOM 505 CB ASN A2043 -7.884 13.768 7.676 1.00 51.21 C ATOM 506 CG ASN A2043 -7.180 14.888 8.447 1.00 21.23 C ATOM 507 OD1 ASN A2043 -6.365 15.623 7.917 1.00 43.35 O ATOM 508 ND2 ASN A2043 -7.542 14.976 9.724 1.00 3.30 N ATOM 0 H ASN A2043 -8.785 12.981 4.676 1.00 43.00 H new ATOM 0 HA ASN A2043 -7.302 14.915 5.951 1.00 65.15 H new ATOM 0 HB2 ASN A2043 -8.954 13.797 7.881 1.00 51.21 H new ATOM 0 HB3 ASN A2043 -7.520 12.800 8.020 1.00 51.21 H new ATOM 0 HD21 ASN A2043 -7.130 15.692 10.323 1.00 3.30 H new ATOM 0 HD22 ASN A2043 -8.231 14.328 10.105 1.00 3.30 H new ATOM 515 N VAL A2044 -5.633 13.321 4.976 1.00 72.42 N ATOM 516 CA VAL A2044 -4.571 12.445 4.510 1.00 12.50 C ATOM 517 C VAL A2044 -4.050 11.613 5.685 1.00 72.13 C ATOM 518 O VAL A2044 -3.625 10.473 5.501 1.00 62.45 O ATOM 519 CB VAL A2044 -3.476 13.269 3.829 1.00 52.12 C ATOM 520 CG1 VAL A2044 -2.128 12.549 3.898 1.00 51.53 C ATOM 521 CG2 VAL A2044 -3.853 13.590 2.382 1.00 21.15 C ATOM 0 H VAL A2044 -5.567 14.285 4.648 1.00 72.42 H new ATOM 0 HA VAL A2044 -4.950 11.749 3.761 1.00 12.50 H new ATOM 0 HB VAL A2044 -3.381 14.212 4.367 1.00 52.12 H new ATOM 0 HG11 VAL A2044 -1.366 13.155 3.407 1.00 51.53 H new ATOM 0 HG12 VAL A2044 -1.852 12.393 4.941 1.00 51.53 H new ATOM 0 HG13 VAL A2044 -2.204 11.585 3.395 1.00 51.53 H new ATOM 0 HG21 VAL A2044 -3.058 14.176 1.920 1.00 21.15 H new ATOM 0 HG22 VAL A2044 -3.988 12.662 1.827 1.00 21.15 H new ATOM 0 HG23 VAL A2044 -4.781 14.161 2.366 1.00 21.15 H new ATOM 531 N LYS A2045 -4.101 12.216 6.863 1.00 34.14 N ATOM 532 CA LYS A2045 -3.640 11.543 8.066 1.00 60.05 C ATOM 533 C LYS A2045 -4.318 10.177 8.175 1.00 42.14 C ATOM 534 O LYS A2045 -3.702 9.207 8.613 1.00 0.01 O ATOM 535 CB LYS A2045 -3.852 12.435 9.292 1.00 63.23 C ATOM 536 CG LYS A2045 -5.313 12.399 9.748 1.00 54.23 C ATOM 537 CD LYS A2045 -5.492 11.455 10.938 1.00 74.41 C ATOM 538 CE LYS A2045 -5.760 12.239 12.225 1.00 53.04 C ATOM 539 NZ LYS A2045 -6.255 11.337 13.289 1.00 63.11 N ATOM 0 H LYS A2045 -4.454 13.162 7.011 1.00 34.14 H new ATOM 0 HA LYS A2045 -2.567 11.361 8.013 1.00 60.05 H new ATOM 0 HB2 LYS A2045 -3.205 12.103 10.104 1.00 63.23 H new ATOM 0 HB3 LYS A2045 -3.566 13.460 9.055 1.00 63.23 H new ATOM 0 HG2 LYS A2045 -5.637 13.403 10.023 1.00 54.23 H new ATOM 0 HG3 LYS A2045 -5.947 12.075 8.923 1.00 54.23 H new ATOM 0 HD2 LYS A2045 -6.320 10.773 10.744 1.00 74.41 H new ATOM 0 HD3 LYS A2045 -4.598 10.844 11.060 1.00 74.41 H new ATOM 0 HE2 LYS A2045 -4.845 12.732 12.555 1.00 53.04 H new ATOM 0 HE3 LYS A2045 -6.493 13.023 12.034 1.00 53.04 H new ATOM 0 HZ1 LYS A2045 -6.432 11.886 14.155 1.00 63.11 H new ATOM 0 HZ2 LYS A2045 -7.139 10.886 12.978 1.00 63.11 H new ATOM 0 HZ3 LYS A2045 -5.542 10.605 13.483 1.00 63.11 H new ATOM 552 N GLY A2046 -5.578 10.143 7.767 1.00 4.12 N ATOM 553 CA GLY A2046 -6.347 8.912 7.813 1.00 20.13 C ATOM 554 C GLY A2046 -5.689 7.822 6.963 1.00 42.43 C ATOM 555 O GLY A2046 -5.423 6.724 7.451 1.00 70.32 O ATOM 0 H GLY A2046 -6.086 10.949 7.403 1.00 4.12 H new ATOM 0 HA2 GLY A2046 -6.433 8.571 8.845 1.00 20.13 H new ATOM 0 HA3 GLY A2046 -7.359 9.098 7.453 1.00 20.13 H new ATOM 559 N MET A2047 -5.441 8.164 5.706 1.00 70.13 N ATOM 560 CA MET A2047 -4.819 7.230 4.785 1.00 24.41 C ATOM 561 C MET A2047 -3.530 6.654 5.374 1.00 74.41 C ATOM 562 O MET A2047 -3.316 5.444 5.345 1.00 2.34 O ATOM 563 CB MET A2047 -4.506 7.944 3.469 1.00 21.13 C ATOM 564 CG MET A2047 -3.537 7.120 2.616 1.00 73.31 C ATOM 565 SD MET A2047 -1.853 7.482 3.080 1.00 73.31 S ATOM 566 CE MET A2047 -1.861 9.260 2.911 1.00 42.41 C ATOM 0 H MET A2047 -5.660 9.076 5.305 1.00 70.13 H new ATOM 0 HA MET A2047 -5.512 6.408 4.607 1.00 24.41 H new ATOM 0 HB2 MET A2047 -5.429 8.115 2.915 1.00 21.13 H new ATOM 0 HB3 MET A2047 -4.073 8.923 3.676 1.00 21.13 H new ATOM 0 HG2 MET A2047 -3.738 6.057 2.747 1.00 73.31 H new ATOM 0 HG3 MET A2047 -3.688 7.345 1.560 1.00 73.31 H new ATOM 0 HE1 MET A2047 -0.928 9.586 2.450 1.00 42.41 H new ATOM 0 HE2 MET A2047 -2.700 9.562 2.284 1.00 42.41 H new ATOM 0 HE3 MET A2047 -1.959 9.719 3.895 1.00 42.41 H new ATOM 576 N PHE A2048 -2.705 7.550 5.897 1.00 41.34 N ATOM 577 CA PHE A2048 -1.443 7.147 6.492 1.00 51.43 C ATOM 578 C PHE A2048 -1.673 6.261 7.718 1.00 65.00 C ATOM 579 O PHE A2048 -0.910 5.327 7.965 1.00 73.33 O ATOM 580 CB PHE A2048 -0.727 8.426 6.932 1.00 43.25 C ATOM 581 CG PHE A2048 -0.143 9.241 5.775 1.00 61.45 C ATOM 582 CD1 PHE A2048 0.519 8.613 4.766 1.00 24.32 C ATOM 583 CD2 PHE A2048 -0.286 10.593 5.755 1.00 53.54 C ATOM 584 CE1 PHE A2048 1.060 9.369 3.692 1.00 22.24 C ATOM 585 CE2 PHE A2048 0.256 11.350 4.682 1.00 2.11 C ATOM 586 CZ PHE A2048 0.918 10.722 3.674 1.00 44.23 C ATOM 0 H PHE A2048 -2.887 8.553 5.921 1.00 41.34 H new ATOM 0 HA PHE A2048 -0.857 6.579 5.770 1.00 51.43 H new ATOM 0 HB2 PHE A2048 -1.428 9.051 7.486 1.00 43.25 H new ATOM 0 HB3 PHE A2048 0.077 8.162 7.619 1.00 43.25 H new ATOM 0 HD1 PHE A2048 0.633 7.539 4.782 1.00 24.32 H new ATOM 0 HD2 PHE A2048 -0.812 11.092 6.556 1.00 53.54 H new ATOM 0 HE1 PHE A2048 1.584 8.870 2.890 1.00 22.24 H new ATOM 0 HE2 PHE A2048 0.142 12.424 4.667 1.00 2.11 H new ATOM 0 HZ PHE A2048 1.331 11.297 2.859 1.00 44.23 H new ATOM 596 N GLU A2049 -2.728 6.582 8.451 1.00 61.31 N ATOM 597 CA GLU A2049 -3.068 5.825 9.645 1.00 63.13 C ATOM 598 C GLU A2049 -3.669 4.471 9.260 1.00 2.50 C ATOM 599 O GLU A2049 -3.768 3.574 10.095 1.00 1.52 O ATOM 600 CB GLU A2049 -4.025 6.616 10.540 1.00 34.05 C ATOM 601 CG GLU A2049 -3.442 7.986 10.888 1.00 70.15 C ATOM 602 CD GLU A2049 -2.923 8.013 12.327 1.00 41.30 C ATOM 603 OE1 GLU A2049 -3.682 8.337 13.253 1.00 23.13 O ATOM 604 OE2 GLU A2049 -1.685 7.684 12.466 1.00 45.24 O ATOM 0 H GLU A2049 -3.359 7.356 8.242 1.00 61.31 H new ATOM 0 HA GLU A2049 -2.155 5.647 10.213 1.00 63.13 H new ATOM 0 HB2 GLU A2049 -4.982 6.742 10.034 1.00 34.05 H new ATOM 0 HB3 GLU A2049 -4.220 6.056 11.455 1.00 34.05 H new ATOM 0 HG2 GLU A2049 -2.630 8.225 10.201 1.00 70.15 H new ATOM 0 HG3 GLU A2049 -4.205 8.753 10.759 1.00 70.15 H new ATOM 612 N VAL A2050 -4.054 4.368 7.997 1.00 45.30 N ATOM 613 CA VAL A2050 -4.641 3.138 7.492 1.00 11.23 C ATOM 614 C VAL A2050 -3.525 2.168 7.097 1.00 44.13 C ATOM 615 O VAL A2050 -3.585 0.982 7.415 1.00 15.12 O ATOM 616 CB VAL A2050 -5.599 3.450 6.342 1.00 31.55 C ATOM 617 CG1 VAL A2050 -5.077 2.876 5.023 1.00 71.31 C ATOM 618 CG2 VAL A2050 -7.007 2.932 6.644 1.00 31.25 C ATOM 0 H VAL A2050 -3.971 5.116 7.308 1.00 45.30 H new ATOM 0 HA VAL A2050 -5.233 2.651 8.267 1.00 11.23 H new ATOM 0 HB VAL A2050 -5.655 4.534 6.239 1.00 31.55 H new ATOM 0 HG11 VAL A2050 -5.777 3.112 4.221 1.00 71.31 H new ATOM 0 HG12 VAL A2050 -4.104 3.313 4.796 1.00 71.31 H new ATOM 0 HG13 VAL A2050 -4.977 1.794 5.111 1.00 71.31 H new ATOM 0 HG21 VAL A2050 -7.668 3.167 5.810 1.00 31.25 H new ATOM 0 HG22 VAL A2050 -6.974 1.852 6.788 1.00 31.25 H new ATOM 0 HG23 VAL A2050 -7.383 3.407 7.550 1.00 31.25 H new ATOM 628 N LEU A2051 -2.533 2.711 6.405 1.00 11.32 N ATOM 629 CA LEU A2051 -1.404 1.909 5.961 1.00 34.21 C ATOM 630 C LEU A2051 -0.465 1.661 7.142 1.00 32.55 C ATOM 631 O LEU A2051 -0.018 0.535 7.359 1.00 40.13 O ATOM 632 CB LEU A2051 -0.723 2.564 4.760 1.00 43.31 C ATOM 633 CG LEU A2051 -1.584 2.729 3.505 1.00 13.34 C ATOM 634 CD1 LEU A2051 -2.754 1.744 3.511 1.00 43.13 C ATOM 635 CD2 LEU A2051 -2.054 4.177 3.349 1.00 11.42 C ATOM 0 H LEU A2051 -2.487 3.695 6.141 1.00 11.32 H new ATOM 0 HA LEU A2051 -1.742 0.933 5.613 1.00 34.21 H new ATOM 0 HB2 LEU A2051 -0.366 3.548 5.063 1.00 43.31 H new ATOM 0 HB3 LEU A2051 0.155 1.973 4.499 1.00 43.31 H new ATOM 0 HG LEU A2051 -0.970 2.495 2.635 1.00 13.34 H new ATOM 0 HD11 LEU A2051 -3.350 1.882 2.609 1.00 43.13 H new ATOM 0 HD12 LEU A2051 -2.371 0.724 3.541 1.00 43.13 H new ATOM 0 HD13 LEU A2051 -3.376 1.923 4.388 1.00 43.13 H new ATOM 0 HD21 LEU A2051 -2.664 4.267 2.450 1.00 11.42 H new ATOM 0 HD22 LEU A2051 -2.646 4.463 4.219 1.00 11.42 H new ATOM 0 HD23 LEU A2051 -1.188 4.834 3.267 1.00 11.42 H new ATOM 647 N GLU A2052 -0.194 2.730 7.876 1.00 21.14 N ATOM 648 CA GLU A2052 0.685 2.641 9.031 1.00 44.24 C ATOM 649 C GLU A2052 0.517 1.289 9.723 1.00 11.21 C ATOM 650 O GLU A2052 1.491 0.564 9.923 1.00 12.33 O ATOM 651 CB GLU A2052 0.427 3.793 10.005 1.00 44.03 C ATOM 652 CG GLU A2052 1.549 4.832 9.937 1.00 65.33 C ATOM 653 CD GLU A2052 2.597 4.578 11.022 1.00 43.03 C ATOM 654 OE1 GLU A2052 3.318 3.572 10.965 1.00 1.12 O ATOM 655 OE2 GLU A2052 2.648 5.474 11.949 1.00 60.11 O ATOM 0 H GLU A2052 -0.567 3.662 7.694 1.00 21.14 H new ATOM 0 HA GLU A2052 1.716 2.724 8.687 1.00 44.24 H new ATOM 0 HB2 GLU A2052 -0.526 4.266 9.769 1.00 44.03 H new ATOM 0 HB3 GLU A2052 0.348 3.404 11.020 1.00 44.03 H new ATOM 0 HG2 GLU A2052 2.021 4.799 8.955 1.00 65.33 H new ATOM 0 HG3 GLU A2052 1.132 5.832 10.056 1.00 65.33 H new ATOM 663 N PRO A2053 -0.759 0.980 10.079 1.00 42.21 N ATOM 664 CA PRO A2053 -1.067 -0.274 10.746 1.00 1.23 C ATOM 665 C PRO A2053 -1.022 -1.445 9.762 1.00 51.14 C ATOM 666 O PRO A2053 -0.355 -2.446 10.013 1.00 63.50 O ATOM 667 CB PRO A2053 -2.442 -0.065 11.359 1.00 22.33 C ATOM 668 CG PRO A2053 -3.050 1.119 10.627 1.00 23.23 C ATOM 669 CD PRO A2053 -1.937 1.812 9.859 1.00 62.03 C ATOM 0 HA PRO A2053 -0.338 -0.532 11.514 1.00 1.23 H new ATOM 0 HB2 PRO A2053 -3.060 -0.955 11.243 1.00 22.33 H new ATOM 0 HB3 PRO A2053 -2.367 0.134 12.428 1.00 22.33 H new ATOM 0 HG2 PRO A2053 -3.834 0.786 9.946 1.00 23.23 H new ATOM 0 HG3 PRO A2053 -3.513 1.808 11.333 1.00 23.23 H new ATOM 0 HD2 PRO A2053 -2.176 1.887 8.798 1.00 62.03 H new ATOM 0 HD3 PRO A2053 -1.778 2.827 10.223 1.00 62.03 H new ATOM 677 N LEU A2054 -1.741 -1.278 8.660 1.00 14.11 N ATOM 678 CA LEU A2054 -1.791 -2.308 7.637 1.00 55.12 C ATOM 679 C LEU A2054 -0.367 -2.742 7.285 1.00 11.22 C ATOM 680 O LEU A2054 -0.032 -3.922 7.381 1.00 62.21 O ATOM 681 CB LEU A2054 -2.603 -1.825 6.431 1.00 2.34 C ATOM 682 CG LEU A2054 -4.117 -1.751 6.630 1.00 23.13 C ATOM 683 CD1 LEU A2054 -4.782 -0.985 5.484 1.00 14.05 C ATOM 684 CD2 LEU A2054 -4.717 -3.146 6.811 1.00 31.40 C ATOM 0 H LEU A2054 -2.293 -0.445 8.454 1.00 14.11 H new ATOM 0 HA LEU A2054 -2.310 -3.191 8.010 1.00 55.12 H new ATOM 0 HB2 LEU A2054 -2.244 -0.835 6.149 1.00 2.34 H new ATOM 0 HB3 LEU A2054 -2.399 -2.489 5.591 1.00 2.34 H new ATOM 0 HG LEU A2054 -4.314 -1.196 7.547 1.00 23.13 H new ATOM 0 HD11 LEU A2054 -5.859 -0.946 5.649 1.00 14.05 H new ATOM 0 HD12 LEU A2054 -4.384 0.029 5.445 1.00 14.05 H new ATOM 0 HD13 LEU A2054 -4.577 -1.492 4.541 1.00 14.05 H new ATOM 0 HD21 LEU A2054 -5.795 -3.063 6.951 1.00 31.40 H new ATOM 0 HD22 LEU A2054 -4.511 -3.748 5.926 1.00 31.40 H new ATOM 0 HD23 LEU A2054 -4.274 -3.622 7.685 1.00 31.40 H new ATOM 696 N HIS A2055 0.434 -1.766 6.886 1.00 63.21 N ATOM 697 CA HIS A2055 1.814 -2.032 6.520 1.00 73.34 C ATOM 698 C HIS A2055 2.545 -2.670 7.704 1.00 74.14 C ATOM 699 O HIS A2055 3.167 -3.722 7.560 1.00 43.02 O ATOM 700 CB HIS A2055 2.500 -0.759 6.017 1.00 32.20 C ATOM 701 CG HIS A2055 2.084 -0.348 4.624 1.00 22.53 C ATOM 702 ND1 HIS A2055 2.753 0.623 3.899 1.00 74.32 N ATOM 703 CD2 HIS A2055 1.066 -0.789 3.831 1.00 11.20 C ATOM 704 CE1 HIS A2055 2.153 0.755 2.726 1.00 62.12 C ATOM 705 NE2 HIS A2055 1.108 -0.120 2.684 1.00 33.43 N ATOM 0 H HIS A2055 0.153 -0.788 6.808 1.00 63.21 H new ATOM 0 HA HIS A2055 1.843 -2.741 5.693 1.00 73.34 H new ATOM 0 HB2 HIS A2055 2.281 0.056 6.706 1.00 32.20 H new ATOM 0 HB3 HIS A2055 3.579 -0.909 6.034 1.00 32.20 H new ATOM 0 HD2 HIS A2055 0.348 -1.552 4.091 1.00 11.20 H new ATOM 0 HE1 HIS A2055 2.441 1.437 1.940 1.00 62.12 H new ATOM 0 HE2 HIS A2055 0.465 -0.241 1.901 1.00 33.43 H new ATOM 714 N ALA A2056 2.447 -2.007 8.845 1.00 50.41 N ATOM 715 CA ALA A2056 3.090 -2.495 10.053 1.00 0.31 C ATOM 716 C ALA A2056 2.694 -3.955 10.283 1.00 54.14 C ATOM 717 O ALA A2056 3.550 -4.803 10.530 1.00 52.34 O ATOM 718 CB ALA A2056 2.713 -1.597 11.233 1.00 51.44 C ATOM 0 H ALA A2056 1.931 -1.134 8.960 1.00 50.41 H new ATOM 0 HA ALA A2056 4.175 -2.459 9.950 1.00 0.31 H new ATOM 0 HB1 ALA A2056 3.196 -1.964 12.139 1.00 51.44 H new ATOM 0 HB2 ALA A2056 3.042 -0.577 11.034 1.00 51.44 H new ATOM 0 HB3 ALA A2056 1.631 -1.609 11.368 1.00 51.44 H new ATOM 724 N MET A2057 1.396 -4.202 10.192 1.00 24.15 N ATOM 725 CA MET A2057 0.875 -5.546 10.385 1.00 14.41 C ATOM 726 C MET A2057 1.615 -6.553 9.503 1.00 12.55 C ATOM 727 O MET A2057 1.873 -7.680 9.924 1.00 5.32 O ATOM 728 CB MET A2057 -0.616 -5.570 10.047 1.00 74.44 C ATOM 729 CG MET A2057 -0.913 -6.588 8.945 1.00 3.04 C ATOM 730 SD MET A2057 -2.656 -6.580 8.557 1.00 11.44 S ATOM 731 CE MET A2057 -2.593 -7.065 6.840 1.00 53.31 C ATOM 0 H MET A2057 0.689 -3.496 9.987 1.00 24.15 H new ATOM 0 HA MET A2057 1.024 -5.826 11.428 1.00 14.41 H new ATOM 0 HB2 MET A2057 -1.191 -5.817 10.940 1.00 74.44 H new ATOM 0 HB3 MET A2057 -0.936 -4.578 9.727 1.00 74.44 H new ATOM 0 HG2 MET A2057 -0.333 -6.350 8.053 1.00 3.04 H new ATOM 0 HG3 MET A2057 -0.609 -7.584 9.267 1.00 3.04 H new ATOM 0 HE1 MET A2057 -3.467 -7.671 6.601 1.00 53.31 H new ATOM 0 HE2 MET A2057 -2.586 -6.175 6.211 1.00 53.31 H new ATOM 0 HE3 MET A2057 -1.688 -7.645 6.659 1.00 53.31 H new ATOM 741 N MET A2058 1.936 -6.111 8.297 1.00 21.31 N ATOM 742 CA MET A2058 2.641 -6.960 7.351 1.00 52.10 C ATOM 743 C MET A2058 4.090 -7.183 7.790 1.00 64.11 C ATOM 744 O MET A2058 4.644 -8.263 7.588 1.00 62.42 O ATOM 745 CB MET A2058 2.620 -6.309 5.966 1.00 5.44 C ATOM 746 CG MET A2058 1.186 -6.075 5.492 1.00 53.22 C ATOM 747 SD MET A2058 0.839 -7.091 4.067 1.00 51.34 S ATOM 748 CE MET A2058 -0.908 -7.368 4.301 1.00 31.14 C ATOM 0 H MET A2058 1.721 -5.175 7.952 1.00 21.31 H new ATOM 0 HA MET A2058 2.139 -7.927 7.314 1.00 52.10 H new ATOM 0 HB2 MET A2058 3.155 -5.360 5.998 1.00 5.44 H new ATOM 0 HB3 MET A2058 3.143 -6.946 5.253 1.00 5.44 H new ATOM 0 HG2 MET A2058 0.487 -6.309 6.294 1.00 53.22 H new ATOM 0 HG3 MET A2058 1.044 -5.024 5.242 1.00 53.22 H new ATOM 0 HE1 MET A2058 -1.406 -7.387 3.332 1.00 31.14 H new ATOM 0 HE2 MET A2058 -1.061 -8.322 4.806 1.00 31.14 H new ATOM 0 HE3 MET A2058 -1.326 -6.565 4.908 1.00 31.14 H new ATOM 758 N GLU A2059 4.661 -6.145 8.382 1.00 4.25 N ATOM 759 CA GLU A2059 6.034 -6.214 8.851 1.00 2.05 C ATOM 760 C GLU A2059 6.142 -7.166 10.044 1.00 22.54 C ATOM 761 O GLU A2059 6.815 -8.193 9.967 1.00 65.03 O ATOM 762 CB GLU A2059 6.562 -4.824 9.210 1.00 32.12 C ATOM 763 CG GLU A2059 6.167 -3.796 8.148 1.00 33.03 C ATOM 764 CD GLU A2059 6.265 -4.394 6.744 1.00 45.50 C ATOM 765 OE1 GLU A2059 5.235 -4.705 6.128 1.00 74.54 O ATOM 766 OE2 GLU A2059 7.466 -4.530 6.292 1.00 23.31 O ATOM 0 H GLU A2059 4.198 -5.251 8.548 1.00 4.25 H new ATOM 0 HA GLU A2059 6.653 -6.604 8.043 1.00 2.05 H new ATOM 0 HB2 GLU A2059 6.167 -4.520 10.180 1.00 32.12 H new ATOM 0 HB3 GLU A2059 7.647 -4.856 9.304 1.00 32.12 H new ATOM 0 HG2 GLU A2059 5.149 -3.452 8.330 1.00 33.03 H new ATOM 0 HG3 GLU A2059 6.816 -2.924 8.222 1.00 33.03 H new ATOM 774 N ARG A2060 5.467 -6.793 11.122 1.00 22.11 N ATOM 775 CA ARG A2060 5.477 -7.600 12.328 1.00 52.33 C ATOM 776 C ARG A2060 4.664 -8.879 12.119 1.00 43.34 C ATOM 777 O ARG A2060 5.004 -9.931 12.659 1.00 1.02 O ATOM 778 CB ARG A2060 4.901 -6.824 13.515 1.00 31.31 C ATOM 779 CG ARG A2060 3.436 -6.456 13.266 1.00 73.21 C ATOM 780 CD ARG A2060 2.969 -5.377 14.247 1.00 43.40 C ATOM 781 NE ARG A2060 1.510 -5.164 14.110 1.00 2.15 N ATOM 782 CZ ARG A2060 0.786 -4.354 14.910 1.00 4.12 C ATOM 783 NH1 ARG A2060 1.379 -3.671 15.912 1.00 23.32 N ATOM 784 NH2 ARG A2060 -0.512 -4.240 14.697 1.00 50.30 N ATOM 0 H ARG A2060 4.909 -5.941 11.184 1.00 22.11 H new ATOM 0 HA ARG A2060 6.514 -7.857 12.546 1.00 52.33 H new ATOM 0 HB2 ARG A2060 4.981 -7.425 14.421 1.00 31.31 H new ATOM 0 HB3 ARG A2060 5.485 -5.919 13.681 1.00 31.31 H new ATOM 0 HG2 ARG A2060 3.315 -6.100 12.243 1.00 73.21 H new ATOM 0 HG3 ARG A2060 2.811 -7.343 13.370 1.00 73.21 H new ATOM 0 HD2 ARG A2060 3.207 -5.675 15.268 1.00 43.40 H new ATOM 0 HD3 ARG A2060 3.500 -4.445 14.055 1.00 43.40 H new ATOM 0 HE ARG A2060 1.022 -5.661 13.364 1.00 2.15 H new ATOM 0 HH11 ARG A2060 2.382 -3.765 16.069 1.00 23.32 H new ATOM 0 HH12 ARG A2060 0.824 -3.061 16.512 1.00 23.32 H new ATOM 0 HH21 ARG A2060 -0.952 -4.760 13.938 1.00 50.30 H new ATOM 0 HH22 ARG A2060 -1.075 -3.632 15.292 1.00 50.30 H new ATOM 796 N GLY A2061 3.604 -8.747 11.334 1.00 50.12 N ATOM 797 CA GLY A2061 2.739 -9.878 11.046 1.00 70.32 C ATOM 798 C GLY A2061 2.763 -10.222 9.556 1.00 51.14 C ATOM 799 O GLY A2061 1.844 -9.868 8.819 1.00 2.22 O ATOM 0 H GLY A2061 3.325 -7.873 10.888 1.00 50.12 H new ATOM 0 HA2 GLY A2061 3.059 -10.743 11.627 1.00 70.32 H new ATOM 0 HA3 GLY A2061 1.719 -9.647 11.353 1.00 70.32 H new ATOM 803 N PRO A2062 3.853 -10.924 9.145 1.00 22.25 N ATOM 804 CA PRO A2062 4.009 -11.319 7.756 1.00 65.50 C ATOM 805 C PRO A2062 3.082 -12.487 7.410 1.00 5.45 C ATOM 806 O PRO A2062 1.919 -12.281 7.070 1.00 24.42 O ATOM 807 CB PRO A2062 5.482 -11.665 7.608 1.00 2.34 C ATOM 808 CG PRO A2062 5.998 -11.900 9.017 1.00 54.32 C ATOM 809 CD PRO A2062 4.961 -11.360 9.990 1.00 43.45 C ATOM 0 HA PRO A2062 3.728 -10.529 7.060 1.00 65.50 H new ATOM 0 HB2 PRO A2062 5.614 -12.553 6.990 1.00 2.34 H new ATOM 0 HB3 PRO A2062 6.027 -10.855 7.123 1.00 2.34 H new ATOM 0 HG2 PRO A2062 6.166 -12.963 9.190 1.00 54.32 H new ATOM 0 HG3 PRO A2062 6.955 -11.398 9.162 1.00 54.32 H new ATOM 0 HD2 PRO A2062 4.643 -12.127 10.696 1.00 43.45 H new ATOM 0 HD3 PRO A2062 5.361 -10.533 10.577 1.00 43.45 H new ATOM 817 N GLN A2063 3.635 -13.687 7.510 1.00 22.21 N ATOM 818 CA GLN A2063 2.872 -14.889 7.213 1.00 70.12 C ATOM 819 C GLN A2063 3.768 -16.125 7.312 1.00 62.14 C ATOM 820 O GLN A2063 3.623 -16.929 8.231 1.00 60.01 O ATOM 821 CB GLN A2063 2.218 -14.795 5.832 1.00 44.43 C ATOM 822 CG GLN A2063 0.695 -14.706 5.953 1.00 62.12 C ATOM 823 CD GLN A2063 0.057 -16.094 5.872 1.00 22.30 C ATOM 824 OE1 GLN A2063 0.667 -17.063 5.449 1.00 51.51 O ATOM 825 NE2 GLN A2063 -1.202 -16.137 6.298 1.00 64.03 N ATOM 0 H GLN A2063 4.601 -13.853 7.792 1.00 22.21 H new ATOM 0 HA GLN A2063 2.075 -14.982 7.951 1.00 70.12 H new ATOM 0 HB2 GLN A2063 2.597 -13.919 5.305 1.00 44.43 H new ATOM 0 HB3 GLN A2063 2.489 -15.667 5.237 1.00 44.43 H new ATOM 0 HG2 GLN A2063 0.429 -14.234 6.899 1.00 62.12 H new ATOM 0 HG3 GLN A2063 0.300 -14.073 5.158 1.00 62.12 H new ATOM 0 HE21 GLN A2063 -1.654 -15.289 6.640 1.00 64.03 H new ATOM 0 HE22 GLN A2063 -1.716 -17.018 6.283 1.00 64.03 H new ATOM 834 N THR A2064 4.675 -16.237 6.352 1.00 1.34 N ATOM 835 CA THR A2064 5.596 -17.361 6.321 1.00 64.22 C ATOM 836 C THR A2064 6.587 -17.206 5.164 1.00 23.45 C ATOM 837 O THR A2064 6.488 -16.265 4.378 1.00 72.32 O ATOM 838 CB THR A2064 4.768 -18.646 6.245 1.00 11.10 C ATOM 839 OG1 THR A2064 5.737 -19.670 6.033 1.00 14.31 O ATOM 840 CG2 THR A2064 3.888 -18.703 4.994 1.00 24.23 C ATOM 0 H THR A2064 4.792 -15.568 5.591 1.00 1.34 H new ATOM 0 HA THR A2064 6.204 -17.401 7.225 1.00 64.22 H new ATOM 0 HB THR A2064 4.142 -18.728 7.134 1.00 11.10 H new ATOM 0 HG1 THR A2064 5.287 -20.539 5.973 1.00 14.31 H new ATOM 0 HG21 THR A2064 3.322 -19.635 4.989 1.00 24.23 H new ATOM 0 HG22 THR A2064 3.198 -17.859 4.996 1.00 24.23 H new ATOM 0 HG23 THR A2064 4.516 -18.656 4.105 1.00 24.23 H new ATOM 848 N LEU A2065 7.518 -18.145 5.097 1.00 53.32 N ATOM 849 CA LEU A2065 8.526 -18.125 4.050 1.00 13.44 C ATOM 850 C LEU A2065 7.845 -17.916 2.697 1.00 22.24 C ATOM 851 O LEU A2065 8.456 -17.400 1.764 1.00 44.11 O ATOM 852 CB LEU A2065 9.391 -19.385 4.116 1.00 3.31 C ATOM 853 CG LEU A2065 10.885 -19.189 3.844 1.00 73.20 C ATOM 854 CD1 LEU A2065 11.132 -18.835 2.376 1.00 21.43 C ATOM 855 CD2 LEU A2065 11.482 -18.148 4.792 1.00 30.15 C ATOM 0 H LEU A2065 7.596 -18.925 5.750 1.00 53.32 H new ATOM 0 HA LEU A2065 9.210 -17.289 4.195 1.00 13.44 H new ATOM 0 HB2 LEU A2065 9.277 -19.828 5.105 1.00 3.31 H new ATOM 0 HB3 LEU A2065 9.003 -20.106 3.397 1.00 3.31 H new ATOM 0 HG LEU A2065 11.395 -20.132 4.039 1.00 73.20 H new ATOM 0 HD11 LEU A2065 12.201 -18.701 2.209 1.00 21.43 H new ATOM 0 HD12 LEU A2065 10.764 -19.640 1.741 1.00 21.43 H new ATOM 0 HD13 LEU A2065 10.608 -17.911 2.131 1.00 21.43 H new ATOM 0 HD21 LEU A2065 12.544 -18.028 4.578 1.00 30.15 H new ATOM 0 HD22 LEU A2065 10.973 -17.194 4.652 1.00 30.15 H new ATOM 0 HD23 LEU A2065 11.355 -18.479 5.823 1.00 30.15 H new ATOM 867 N LYS A2066 6.587 -18.329 2.633 1.00 22.15 N ATOM 868 CA LYS A2066 5.818 -18.194 1.409 1.00 32.44 C ATOM 869 C LYS A2066 5.522 -16.715 1.157 1.00 55.11 C ATOM 870 O LYS A2066 5.795 -16.198 0.075 1.00 21.55 O ATOM 871 CB LYS A2066 4.563 -19.070 1.465 1.00 62.14 C ATOM 872 CG LYS A2066 3.857 -19.104 0.108 1.00 61.42 C ATOM 873 CD LYS A2066 3.375 -20.518 -0.224 1.00 41.43 C ATOM 874 CE LYS A2066 4.556 -21.444 -0.521 1.00 53.32 C ATOM 875 NZ LYS A2066 4.697 -22.461 0.545 1.00 25.12 N ATOM 0 H LYS A2066 6.082 -18.757 3.409 1.00 22.15 H new ATOM 0 HA LYS A2066 6.394 -18.554 0.557 1.00 32.44 H new ATOM 0 HB2 LYS A2066 4.835 -20.083 1.763 1.00 62.14 H new ATOM 0 HB3 LYS A2066 3.881 -18.687 2.224 1.00 62.14 H new ATOM 0 HG2 LYS A2066 3.009 -18.420 0.118 1.00 61.42 H new ATOM 0 HG3 LYS A2066 4.538 -18.756 -0.669 1.00 61.42 H new ATOM 0 HD2 LYS A2066 2.798 -20.915 0.611 1.00 41.43 H new ATOM 0 HD3 LYS A2066 2.708 -20.486 -1.085 1.00 41.43 H new ATOM 0 HE2 LYS A2066 4.408 -21.935 -1.483 1.00 53.32 H new ATOM 0 HE3 LYS A2066 5.473 -20.860 -0.599 1.00 53.32 H new ATOM 0 HZ1 LYS A2066 5.102 -23.331 0.144 1.00 25.12 H new ATOM 0 HZ2 LYS A2066 5.326 -22.098 1.290 1.00 25.12 H new ATOM 0 HZ3 LYS A2066 3.763 -22.669 0.952 1.00 25.12 H new ATOM 888 N GLU A2067 4.969 -16.073 2.176 1.00 62.33 N ATOM 889 CA GLU A2067 4.634 -14.662 2.079 1.00 31.54 C ATOM 890 C GLU A2067 5.906 -13.811 2.118 1.00 21.44 C ATOM 891 O GLU A2067 5.896 -12.656 1.694 1.00 30.41 O ATOM 892 CB GLU A2067 3.666 -14.250 3.190 1.00 23.14 C ATOM 893 CG GLU A2067 2.213 -14.445 2.751 1.00 5.41 C ATOM 894 CD GLU A2067 1.854 -13.492 1.611 1.00 25.54 C ATOM 895 OE1 GLU A2067 2.486 -12.436 1.461 1.00 50.13 O ATOM 896 OE2 GLU A2067 0.879 -13.882 0.861 1.00 51.04 O ATOM 0 H GLU A2067 4.745 -16.504 3.073 1.00 62.33 H new ATOM 0 HA GLU A2067 4.134 -14.492 1.125 1.00 31.54 H new ATOM 0 HB2 GLU A2067 3.862 -14.840 4.085 1.00 23.14 H new ATOM 0 HB3 GLU A2067 3.833 -13.206 3.454 1.00 23.14 H new ATOM 0 HG2 GLU A2067 2.061 -15.476 2.430 1.00 5.41 H new ATOM 0 HG3 GLU A2067 1.547 -14.273 3.597 1.00 5.41 H new ATOM 904 N THR A2068 6.968 -14.415 2.629 1.00 50.34 N ATOM 905 CA THR A2068 8.244 -13.728 2.727 1.00 41.43 C ATOM 906 C THR A2068 8.659 -13.175 1.362 1.00 42.44 C ATOM 907 O THR A2068 9.272 -12.111 1.278 1.00 53.30 O ATOM 908 CB THR A2068 9.262 -14.701 3.322 1.00 1.04 C ATOM 909 OG1 THR A2068 9.023 -14.638 4.725 1.00 34.00 O ATOM 910 CG2 THR A2068 10.703 -14.211 3.167 1.00 54.00 C ATOM 0 H THR A2068 6.971 -15.373 2.980 1.00 50.34 H new ATOM 0 HA THR A2068 8.176 -12.863 3.387 1.00 41.43 H new ATOM 0 HB THR A2068 9.157 -15.674 2.842 1.00 1.04 H new ATOM 0 HG1 THR A2068 8.171 -15.076 4.932 1.00 34.00 H new ATOM 0 HG21 THR A2068 11.384 -14.940 3.607 1.00 54.00 H new ATOM 0 HG22 THR A2068 10.934 -14.090 2.109 1.00 54.00 H new ATOM 0 HG23 THR A2068 10.818 -13.254 3.675 1.00 54.00 H new ATOM 918 N SER A2069 8.309 -13.921 0.325 1.00 33.20 N ATOM 919 CA SER A2069 8.638 -13.519 -1.032 1.00 72.12 C ATOM 920 C SER A2069 7.727 -12.371 -1.472 1.00 0.13 C ATOM 921 O SER A2069 8.155 -11.482 -2.208 1.00 62.22 O ATOM 922 CB SER A2069 8.510 -14.697 -2.000 1.00 25.51 C ATOM 923 OG SER A2069 9.438 -14.603 -3.079 1.00 74.45 O ATOM 0 H SER A2069 7.800 -14.802 0.397 1.00 33.20 H new ATOM 0 HA SER A2069 9.674 -13.180 -1.048 1.00 72.12 H new ATOM 0 HB2 SER A2069 8.674 -15.630 -1.460 1.00 25.51 H new ATOM 0 HB3 SER A2069 7.495 -14.732 -2.396 1.00 25.51 H new ATOM 0 HG SER A2069 9.327 -15.374 -3.674 1.00 74.45 H new ATOM 929 N PHE A2070 6.489 -12.426 -1.004 1.00 75.32 N ATOM 930 CA PHE A2070 5.515 -11.401 -1.340 1.00 41.11 C ATOM 931 C PHE A2070 5.905 -10.053 -0.728 1.00 22.13 C ATOM 932 O PHE A2070 6.005 -9.053 -1.434 1.00 11.21 O ATOM 933 CB PHE A2070 4.175 -11.847 -0.753 1.00 11.52 C ATOM 934 CG PHE A2070 3.059 -10.809 -0.890 1.00 10.04 C ATOM 935 CD1 PHE A2070 3.100 -9.666 -0.156 1.00 74.15 C ATOM 936 CD2 PHE A2070 2.027 -11.031 -1.747 1.00 35.33 C ATOM 937 CE1 PHE A2070 2.065 -8.703 -0.284 1.00 15.40 C ATOM 938 CE2 PHE A2070 0.991 -10.068 -1.874 1.00 31.12 C ATOM 939 CZ PHE A2070 1.032 -8.924 -1.139 1.00 60.01 C ATOM 0 H PHE A2070 6.138 -13.165 -0.395 1.00 75.32 H new ATOM 0 HA PHE A2070 5.463 -11.277 -2.422 1.00 41.11 H new ATOM 0 HB2 PHE A2070 3.863 -12.768 -1.245 1.00 11.52 H new ATOM 0 HB3 PHE A2070 4.312 -12.081 0.303 1.00 11.52 H new ATOM 0 HD1 PHE A2070 3.920 -9.490 0.525 1.00 74.15 H new ATOM 0 HD2 PHE A2070 1.995 -11.939 -2.331 1.00 35.33 H new ATOM 0 HE1 PHE A2070 2.098 -7.794 0.298 1.00 15.40 H new ATOM 0 HE2 PHE A2070 0.171 -10.244 -2.554 1.00 31.12 H new ATOM 0 HZ PHE A2070 0.244 -8.192 -1.235 1.00 60.01 H new ATOM 949 N ASN A2071 6.113 -10.073 0.581 1.00 74.54 N ATOM 950 CA ASN A2071 6.488 -8.865 1.296 1.00 74.51 C ATOM 951 C ASN A2071 7.763 -8.288 0.680 1.00 4.51 C ATOM 952 O ASN A2071 7.972 -7.076 0.696 1.00 32.21 O ATOM 953 CB ASN A2071 6.768 -9.162 2.771 1.00 44.13 C ATOM 954 CG ASN A2071 7.436 -7.968 3.455 1.00 62.22 C ATOM 955 OD1 ASN A2071 8.544 -7.573 3.128 1.00 62.41 O ATOM 956 ND2 ASN A2071 6.704 -7.417 4.418 1.00 31.35 N ATOM 0 H ASN A2071 6.029 -10.906 1.164 1.00 74.54 H new ATOM 0 HA ASN A2071 5.661 -8.159 1.221 1.00 74.51 H new ATOM 0 HB2 ASN A2071 5.835 -9.402 3.281 1.00 44.13 H new ATOM 0 HB3 ASN A2071 7.411 -10.039 2.853 1.00 44.13 H new ATOM 0 HD21 ASN A2071 7.062 -6.613 4.934 1.00 31.35 H new ATOM 0 HD22 ASN A2071 5.784 -7.798 4.641 1.00 31.35 H new ATOM 963 N GLN A2072 8.585 -9.184 0.150 1.00 54.44 N ATOM 964 CA GLN A2072 9.834 -8.778 -0.469 1.00 14.10 C ATOM 965 C GLN A2072 9.567 -8.136 -1.832 1.00 41.15 C ATOM 966 O GLN A2072 10.258 -7.198 -2.225 1.00 63.12 O ATOM 967 CB GLN A2072 10.791 -9.966 -0.602 1.00 54.45 C ATOM 968 CG GLN A2072 11.592 -10.169 0.686 1.00 4.23 C ATOM 969 CD GLN A2072 13.092 -10.250 0.391 1.00 11.04 C ATOM 970 OE1 GLN A2072 13.589 -9.714 -0.584 1.00 63.22 O ATOM 971 NE2 GLN A2072 13.782 -10.949 1.290 1.00 24.25 N ATOM 0 H GLN A2072 8.409 -10.189 0.137 1.00 54.44 H new ATOM 0 HA GLN A2072 10.311 -8.038 0.173 1.00 14.10 H new ATOM 0 HB2 GLN A2072 10.226 -10.870 -0.830 1.00 54.45 H new ATOM 0 HB3 GLN A2072 11.472 -9.798 -1.436 1.00 54.45 H new ATOM 0 HG2 GLN A2072 11.397 -9.346 1.374 1.00 4.23 H new ATOM 0 HG3 GLN A2072 11.265 -11.083 1.182 1.00 4.23 H new ATOM 0 HE21 GLN A2072 13.302 -11.372 2.084 1.00 24.25 H new ATOM 0 HE22 GLN A2072 14.790 -11.061 1.184 1.00 24.25 H new ATOM 980 N ALA A2073 8.562 -8.667 -2.513 1.00 1.51 N ATOM 981 CA ALA A2073 8.195 -8.157 -3.824 1.00 14.13 C ATOM 982 C ALA A2073 7.909 -6.658 -3.720 1.00 72.43 C ATOM 983 O ALA A2073 8.386 -5.872 -4.539 1.00 12.10 O ATOM 984 CB ALA A2073 6.999 -8.943 -4.361 1.00 20.40 C ATOM 0 H ALA A2073 7.991 -9.445 -2.182 1.00 1.51 H new ATOM 0 HA ALA A2073 9.014 -8.288 -4.531 1.00 14.13 H new ATOM 0 HB1 ALA A2073 6.724 -8.561 -5.344 1.00 20.40 H new ATOM 0 HB2 ALA A2073 7.264 -9.997 -4.443 1.00 20.40 H new ATOM 0 HB3 ALA A2073 6.155 -8.833 -3.680 1.00 20.40 H new ATOM 990 N TYR A2074 7.129 -6.305 -2.707 1.00 62.13 N ATOM 991 CA TYR A2074 6.773 -4.914 -2.488 1.00 61.21 C ATOM 992 C TYR A2074 7.737 -4.249 -1.503 1.00 15.05 C ATOM 993 O TYR A2074 7.842 -3.025 -1.460 1.00 31.21 O ATOM 994 CB TYR A2074 5.370 -4.930 -1.876 1.00 62.43 C ATOM 995 CG TYR A2074 4.385 -5.848 -2.603 1.00 33.14 C ATOM 996 CD1 TYR A2074 3.754 -5.414 -3.750 1.00 3.43 C ATOM 997 CD2 TYR A2074 4.127 -7.111 -2.108 1.00 62.22 C ATOM 998 CE1 TYR A2074 2.828 -6.279 -4.434 1.00 30.23 C ATOM 999 CE2 TYR A2074 3.201 -7.977 -2.793 1.00 72.43 C ATOM 1000 CZ TYR A2074 2.596 -7.518 -3.921 1.00 61.01 C ATOM 1001 OH TYR A2074 1.721 -8.334 -4.567 1.00 22.41 O ATOM 0 H TYR A2074 6.735 -6.958 -2.030 1.00 62.13 H new ATOM 0 HA TYR A2074 6.816 -4.355 -3.423 1.00 61.21 H new ATOM 0 HB2 TYR A2074 5.442 -5.244 -0.835 1.00 62.43 H new ATOM 0 HB3 TYR A2074 4.973 -3.915 -1.876 1.00 62.43 H new ATOM 0 HD1 TYR A2074 3.954 -4.425 -4.135 1.00 3.43 H new ATOM 0 HD2 TYR A2074 4.619 -7.450 -1.208 1.00 62.22 H new ATOM 0 HE1 TYR A2074 2.329 -5.952 -5.334 1.00 30.23 H new ATOM 0 HE2 TYR A2074 2.992 -8.968 -2.419 1.00 72.43 H new ATOM 0 HH TYR A2074 1.349 -8.982 -3.933 1.00 22.41 H new ATOM 1011 N GLY A2075 8.418 -5.088 -0.734 1.00 23.31 N ATOM 1012 CA GLY A2075 9.370 -4.599 0.247 1.00 40.41 C ATOM 1013 C GLY A2075 10.145 -3.396 -0.294 1.00 31.40 C ATOM 1014 O GLY A2075 10.386 -2.429 0.430 1.00 32.44 O ATOM 0 H GLY A2075 8.328 -6.103 -0.772 1.00 23.31 H new ATOM 0 HA2 GLY A2075 8.845 -4.317 1.160 1.00 40.41 H new ATOM 0 HA3 GLY A2075 10.066 -5.395 0.512 1.00 40.41 H new ATOM 1018 N ARG A2076 10.516 -3.492 -1.562 1.00 2.02 N ATOM 1019 CA ARG A2076 11.259 -2.424 -2.209 1.00 40.20 C ATOM 1020 C ARG A2076 10.309 -1.311 -2.655 1.00 35.21 C ATOM 1021 O ARG A2076 10.488 -0.152 -2.284 1.00 14.23 O ATOM 1022 CB ARG A2076 12.028 -2.946 -3.424 1.00 44.51 C ATOM 1023 CG ARG A2076 12.619 -1.791 -4.236 1.00 63.52 C ATOM 1024 CD ARG A2076 13.676 -1.037 -3.427 1.00 74.30 C ATOM 1025 NE ARG A2076 15.027 -1.349 -3.943 1.00 43.24 N ATOM 1026 CZ ARG A2076 16.174 -1.023 -3.309 1.00 21.41 C ATOM 1027 NH1 ARG A2076 16.141 -0.369 -2.127 1.00 2.34 N ATOM 1028 NH2 ARG A2076 17.328 -1.351 -3.861 1.00 71.21 N ATOM 0 H ARG A2076 10.316 -4.294 -2.159 1.00 2.02 H new ATOM 0 HA ARG A2076 11.971 -2.030 -1.484 1.00 40.20 H new ATOM 0 HB2 ARG A2076 12.827 -3.610 -3.095 1.00 44.51 H new ATOM 0 HB3 ARG A2076 11.362 -3.535 -4.055 1.00 44.51 H new ATOM 0 HG2 ARG A2076 13.065 -2.177 -5.153 1.00 63.52 H new ATOM 0 HG3 ARG A2076 11.825 -1.106 -4.531 1.00 63.52 H new ATOM 0 HD2 ARG A2076 13.494 0.036 -3.487 1.00 74.30 H new ATOM 0 HD3 ARG A2076 13.607 -1.314 -2.375 1.00 74.30 H new ATOM 0 HE ARG A2076 15.097 -1.841 -4.834 1.00 43.24 H new ATOM 0 HH11 ARG A2076 15.246 -0.118 -1.708 1.00 2.34 H new ATOM 0 HH12 ARG A2076 17.011 -0.126 -1.654 1.00 2.34 H new ATOM 0 HH21 ARG A2076 17.344 -1.844 -4.754 1.00 71.21 H new ATOM 0 HH22 ARG A2076 18.203 -1.112 -3.394 1.00 71.21 H new ATOM 1040 N ASP A2077 9.318 -1.703 -3.443 1.00 62.21 N ATOM 1041 CA ASP A2077 8.340 -0.752 -3.944 1.00 44.21 C ATOM 1042 C ASP A2077 7.795 0.074 -2.777 1.00 11.32 C ATOM 1043 O ASP A2077 7.919 1.298 -2.767 1.00 61.31 O ATOM 1044 CB ASP A2077 7.162 -1.471 -4.605 1.00 33.20 C ATOM 1045 CG ASP A2077 7.477 -2.122 -5.953 1.00 54.10 C ATOM 1046 OD1 ASP A2077 7.368 -1.484 -7.011 1.00 24.43 O ATOM 1047 OD2 ASP A2077 7.853 -3.355 -5.887 1.00 43.45 O ATOM 0 H ASP A2077 9.172 -2.666 -3.747 1.00 62.21 H new ATOM 0 HA ASP A2077 8.833 -0.116 -4.679 1.00 44.21 H new ATOM 0 HB2 ASP A2077 6.796 -2.239 -3.924 1.00 33.20 H new ATOM 0 HB3 ASP A2077 6.351 -0.756 -4.744 1.00 33.20 H new ATOM 1053 N LEU A2078 7.203 -0.628 -1.822 1.00 74.03 N ATOM 1054 CA LEU A2078 6.640 0.025 -0.653 1.00 1.03 C ATOM 1055 C LEU A2078 7.697 0.932 -0.021 1.00 63.40 C ATOM 1056 O LEU A2078 7.378 2.015 0.468 1.00 45.04 O ATOM 1057 CB LEU A2078 6.061 -1.011 0.314 1.00 11.35 C ATOM 1058 CG LEU A2078 4.645 -1.503 0.002 1.00 43.40 C ATOM 1059 CD1 LEU A2078 4.055 -2.261 1.193 1.00 25.35 C ATOM 1060 CD2 LEU A2078 3.749 -0.345 -0.441 1.00 50.34 C ATOM 0 H LEU A2078 7.101 -1.643 -1.834 1.00 74.03 H new ATOM 0 HA LEU A2078 5.803 0.662 -0.940 1.00 1.03 H new ATOM 0 HB2 LEU A2078 6.728 -1.873 0.333 1.00 11.35 H new ATOM 0 HB3 LEU A2078 6.063 -0.584 1.317 1.00 11.35 H new ATOM 0 HG LEU A2078 4.701 -2.204 -0.831 1.00 43.40 H new ATOM 0 HD11 LEU A2078 3.049 -2.600 0.946 1.00 25.35 H new ATOM 0 HD12 LEU A2078 4.682 -3.122 1.423 1.00 25.35 H new ATOM 0 HD13 LEU A2078 4.013 -1.601 2.060 1.00 25.35 H new ATOM 0 HD21 LEU A2078 2.749 -0.721 -0.657 1.00 50.34 H new ATOM 0 HD22 LEU A2078 3.694 0.398 0.355 1.00 50.34 H new ATOM 0 HD23 LEU A2078 4.165 0.115 -1.338 1.00 50.34 H new ATOM 1072 N MET A2079 8.933 0.457 -0.052 1.00 13.22 N ATOM 1073 CA MET A2079 10.039 1.213 0.513 1.00 4.04 C ATOM 1074 C MET A2079 10.126 2.607 -0.111 1.00 62.33 C ATOM 1075 O MET A2079 10.246 3.602 0.600 1.00 71.34 O ATOM 1076 CB MET A2079 11.348 0.460 0.268 1.00 43.34 C ATOM 1077 CG MET A2079 12.098 0.223 1.581 1.00 44.24 C ATOM 1078 SD MET A2079 12.710 -1.453 1.639 1.00 62.21 S ATOM 1079 CE MET A2079 11.746 -2.087 2.999 1.00 20.32 C ATOM 0 H MET A2079 9.194 -0.441 -0.459 1.00 13.22 H new ATOM 0 HA MET A2079 9.869 1.326 1.584 1.00 4.04 H new ATOM 0 HB2 MET A2079 11.138 -0.496 -0.212 1.00 43.34 H new ATOM 0 HB3 MET A2079 11.977 1.029 -0.417 1.00 43.34 H new ATOM 0 HG2 MET A2079 12.927 0.925 1.668 1.00 44.24 H new ATOM 0 HG3 MET A2079 11.435 0.407 2.427 1.00 44.24 H new ATOM 0 HE1 MET A2079 11.799 -3.176 3.006 1.00 20.32 H new ATOM 0 HE2 MET A2079 12.141 -1.698 3.938 1.00 20.32 H new ATOM 0 HE3 MET A2079 10.708 -1.775 2.886 1.00 20.32 H new ATOM 1089 N GLU A2080 10.062 2.632 -1.436 1.00 55.41 N ATOM 1090 CA GLU A2080 10.132 3.888 -2.163 1.00 23.23 C ATOM 1091 C GLU A2080 8.934 4.772 -1.812 1.00 71.30 C ATOM 1092 O GLU A2080 9.102 5.917 -1.397 1.00 42.32 O ATOM 1093 CB GLU A2080 10.210 3.643 -3.671 1.00 24.13 C ATOM 1094 CG GLU A2080 10.466 4.949 -4.425 1.00 65.41 C ATOM 1095 CD GLU A2080 10.751 4.680 -5.905 1.00 44.44 C ATOM 1096 OE1 GLU A2080 11.498 3.747 -6.233 1.00 61.53 O ATOM 1097 OE2 GLU A2080 10.164 5.482 -6.728 1.00 13.12 O ATOM 0 H GLU A2080 9.963 1.804 -2.023 1.00 55.41 H new ATOM 0 HA GLU A2080 11.042 4.409 -1.865 1.00 23.23 H new ATOM 0 HB2 GLU A2080 11.007 2.932 -3.887 1.00 24.13 H new ATOM 0 HB3 GLU A2080 9.280 3.194 -4.019 1.00 24.13 H new ATOM 0 HG2 GLU A2080 9.600 5.604 -4.331 1.00 65.41 H new ATOM 0 HG3 GLU A2080 11.311 5.472 -3.977 1.00 65.41 H new ATOM 1105 N ALA A2081 7.749 4.207 -1.993 1.00 65.41 N ATOM 1106 CA ALA A2081 6.523 4.929 -1.701 1.00 62.42 C ATOM 1107 C ALA A2081 6.528 5.363 -0.235 1.00 4.23 C ATOM 1108 O ALA A2081 6.128 6.481 0.088 1.00 5.14 O ATOM 1109 CB ALA A2081 5.317 4.052 -2.047 1.00 14.34 C ATOM 0 H ALA A2081 7.612 3.257 -2.338 1.00 65.41 H new ATOM 0 HA ALA A2081 6.455 5.830 -2.311 1.00 62.42 H new ATOM 0 HB1 ALA A2081 4.398 4.595 -1.827 1.00 14.34 H new ATOM 0 HB2 ALA A2081 5.344 3.798 -3.107 1.00 14.34 H new ATOM 0 HB3 ALA A2081 5.349 3.138 -1.454 1.00 14.34 H new ATOM 1115 N GLN A2082 6.985 4.454 0.616 1.00 72.40 N ATOM 1116 CA GLN A2082 7.047 4.728 2.041 1.00 42.24 C ATOM 1117 C GLN A2082 7.951 5.933 2.311 1.00 22.14 C ATOM 1118 O GLN A2082 7.701 6.707 3.233 1.00 52.40 O ATOM 1119 CB GLN A2082 7.525 3.499 2.816 1.00 33.22 C ATOM 1120 CG GLN A2082 7.608 3.794 4.316 1.00 31.42 C ATOM 1121 CD GLN A2082 6.641 2.907 5.102 1.00 75.52 C ATOM 1122 OE1 GLN A2082 7.010 1.899 5.680 1.00 24.12 O ATOM 1123 NE2 GLN A2082 5.381 3.338 5.092 1.00 25.10 N ATOM 0 H GLN A2082 7.315 3.528 0.345 1.00 72.40 H new ATOM 0 HA GLN A2082 6.042 4.967 2.389 1.00 42.24 H new ATOM 0 HB2 GLN A2082 6.842 2.667 2.643 1.00 33.22 H new ATOM 0 HB3 GLN A2082 8.503 3.190 2.448 1.00 33.22 H new ATOM 0 HG2 GLN A2082 8.627 3.629 4.667 1.00 31.42 H new ATOM 0 HG3 GLN A2082 7.375 4.843 4.498 1.00 31.42 H new ATOM 0 HE21 GLN A2082 5.138 4.191 4.588 1.00 25.10 H new ATOM 0 HE22 GLN A2082 4.659 2.815 5.588 1.00 25.10 H new ATOM 1132 N GLU A2083 8.985 6.051 1.491 1.00 62.12 N ATOM 1133 CA GLU A2083 9.927 7.149 1.630 1.00 22.03 C ATOM 1134 C GLU A2083 9.275 8.467 1.212 1.00 31.55 C ATOM 1135 O GLU A2083 9.514 9.504 1.828 1.00 71.14 O ATOM 1136 CB GLU A2083 11.198 6.885 0.818 1.00 20.01 C ATOM 1137 CG GLU A2083 11.487 8.044 -0.138 1.00 23.54 C ATOM 1138 CD GLU A2083 12.820 7.838 -0.862 1.00 74.33 C ATOM 1139 OE1 GLU A2083 13.852 7.624 -0.209 1.00 45.14 O ATOM 1140 OE2 GLU A2083 12.757 7.904 -2.148 1.00 64.02 O ATOM 0 H GLU A2083 9.191 5.405 0.729 1.00 62.12 H new ATOM 0 HA GLU A2083 10.212 7.226 2.679 1.00 22.03 H new ATOM 0 HB2 GLU A2083 12.043 6.746 1.493 1.00 20.01 H new ATOM 0 HB3 GLU A2083 11.087 5.960 0.252 1.00 20.01 H new ATOM 0 HG2 GLU A2083 10.682 8.128 -0.868 1.00 23.54 H new ATOM 0 HG3 GLU A2083 11.512 8.981 0.418 1.00 23.54 H new ATOM 1148 N TRP A2084 8.461 8.383 0.168 1.00 52.22 N ATOM 1149 CA TRP A2084 7.772 9.558 -0.338 1.00 31.43 C ATOM 1150 C TRP A2084 6.678 9.932 0.665 1.00 73.31 C ATOM 1151 O TRP A2084 6.250 11.084 0.719 1.00 61.43 O ATOM 1152 CB TRP A2084 7.230 9.311 -1.747 1.00 23.34 C ATOM 1153 CG TRP A2084 8.317 9.108 -2.805 1.00 1.13 C ATOM 1154 CD1 TRP A2084 8.716 7.959 -3.369 1.00 31.03 C ATOM 1155 CD2 TRP A2084 9.134 10.135 -3.405 1.00 75.33 C ATOM 1156 NE1 TRP A2084 9.726 8.171 -4.284 1.00 25.53 N ATOM 1157 CE2 TRP A2084 9.987 9.534 -4.308 1.00 52.15 C ATOM 1158 CE3 TRP A2084 9.150 11.524 -3.194 1.00 73.54 C ATOM 1159 CZ2 TRP A2084 10.920 10.248 -5.071 1.00 50.23 C ATOM 1160 CZ3 TRP A2084 10.088 12.222 -3.963 1.00 40.24 C ATOM 1161 CH2 TRP A2084 10.955 11.634 -4.876 1.00 22.31 C ATOM 0 H TRP A2084 8.264 7.521 -0.340 1.00 52.22 H new ATOM 0 HA TRP A2084 8.460 10.398 -0.433 1.00 31.43 H new ATOM 0 HB2 TRP A2084 6.586 8.431 -1.729 1.00 23.34 H new ATOM 0 HB3 TRP A2084 6.607 10.156 -2.039 1.00 23.34 H new ATOM 0 HD1 TRP A2084 8.299 6.990 -3.136 1.00 31.03 H new ATOM 0 HE1 TRP A2084 10.195 7.457 -4.841 1.00 25.53 H new ATOM 0 HE3 TRP A2084 8.490 12.014 -2.493 1.00 73.54 H new ATOM 0 HZ2 TRP A2084 11.577 9.756 -5.772 1.00 50.23 H new ATOM 0 HZ3 TRP A2084 10.142 13.293 -3.838 1.00 40.24 H new ATOM 0 HH2 TRP A2084 11.652 12.243 -5.432 1.00 22.31 H new ATOM 1172 N CYS A2085 6.259 8.940 1.435 1.00 62.04 N ATOM 1173 CA CYS A2085 5.223 9.151 2.432 1.00 51.21 C ATOM 1174 C CYS A2085 5.841 9.905 3.612 1.00 61.11 C ATOM 1175 O CYS A2085 5.389 10.995 3.961 1.00 20.03 O ATOM 1176 CB CYS A2085 4.582 7.833 2.871 1.00 24.55 C ATOM 1177 SG CYS A2085 3.315 7.319 1.655 1.00 41.20 S ATOM 0 H CYS A2085 6.618 7.986 1.389 1.00 62.04 H new ATOM 0 HA CYS A2085 4.417 9.745 2.002 1.00 51.21 H new ATOM 0 HB2 CYS A2085 5.345 7.060 2.962 1.00 24.55 H new ATOM 0 HB3 CYS A2085 4.128 7.950 3.855 1.00 24.55 H new ATOM 0 HG CYS A2085 3.217 6.023 1.652 1.00 41.20 H new ATOM 1183 N ARG A2086 6.864 9.295 4.193 1.00 25.00 N ATOM 1184 CA ARG A2086 7.547 9.897 5.326 1.00 24.14 C ATOM 1185 C ARG A2086 8.267 11.175 4.894 1.00 73.33 C ATOM 1186 O ARG A2086 8.467 12.082 5.700 1.00 61.15 O ATOM 1187 CB ARG A2086 8.565 8.928 5.932 1.00 34.44 C ATOM 1188 CG ARG A2086 9.742 8.701 4.981 1.00 51.30 C ATOM 1189 CD ARG A2086 10.206 7.244 5.021 1.00 15.15 C ATOM 1190 NE ARG A2086 11.589 7.140 4.506 1.00 12.34 N ATOM 1191 CZ ARG A2086 12.664 7.695 5.105 1.00 54.50 C ATOM 1192 NH1 ARG A2086 12.524 8.400 6.248 1.00 62.24 N ATOM 1193 NH2 ARG A2086 13.854 7.540 4.556 1.00 44.23 N ATOM 0 H ARG A2086 7.236 8.391 3.901 1.00 25.00 H new ATOM 0 HA ARG A2086 6.795 10.136 6.078 1.00 24.14 H new ATOM 0 HB2 ARG A2086 8.930 9.325 6.879 1.00 34.44 H new ATOM 0 HB3 ARG A2086 8.081 7.976 6.150 1.00 34.44 H new ATOM 0 HG2 ARG A2086 9.449 8.965 3.965 1.00 51.30 H new ATOM 0 HG3 ARG A2086 10.568 9.357 5.256 1.00 51.30 H new ATOM 0 HD2 ARG A2086 10.160 6.867 6.043 1.00 15.15 H new ATOM 0 HD3 ARG A2086 9.538 6.624 4.422 1.00 15.15 H new ATOM 0 HE ARG A2086 11.740 6.616 3.644 1.00 12.34 H new ATOM 0 HH11 ARG A2086 11.601 8.517 6.665 1.00 62.24 H new ATOM 0 HH12 ARG A2086 13.342 8.816 6.694 1.00 62.24 H new ATOM 0 HH21 ARG A2086 13.951 7.007 3.692 1.00 44.23 H new ATOM 0 HH22 ARG A2086 14.676 7.953 4.996 1.00 44.23 H new ATOM 1205 N LYS A2087 8.637 11.208 3.622 1.00 20.43 N ATOM 1206 CA LYS A2087 9.331 12.361 3.073 1.00 30.12 C ATOM 1207 C LYS A2087 8.379 13.559 3.048 1.00 32.53 C ATOM 1208 O LYS A2087 8.736 14.649 3.487 1.00 41.34 O ATOM 1209 CB LYS A2087 9.933 12.025 1.708 1.00 31.44 C ATOM 1210 CG LYS A2087 10.458 13.283 1.015 1.00 64.12 C ATOM 1211 CD LYS A2087 9.469 13.779 -0.044 1.00 12.23 C ATOM 1212 CE LYS A2087 10.178 14.048 -1.372 1.00 64.52 C ATOM 1213 NZ LYS A2087 10.985 15.286 -1.288 1.00 21.54 N ATOM 0 H LYS A2087 8.469 10.454 2.955 1.00 20.43 H new ATOM 0 HA LYS A2087 10.174 12.636 3.707 1.00 30.12 H new ATOM 0 HB2 LYS A2087 10.745 11.308 1.831 1.00 31.44 H new ATOM 0 HB3 LYS A2087 9.179 11.548 1.082 1.00 31.44 H new ATOM 0 HG2 LYS A2087 10.628 14.066 1.754 1.00 64.12 H new ATOM 0 HG3 LYS A2087 11.420 13.071 0.548 1.00 64.12 H new ATOM 0 HD2 LYS A2087 8.684 13.037 -0.190 1.00 12.23 H new ATOM 0 HD3 LYS A2087 8.984 14.691 0.305 1.00 12.23 H new ATOM 0 HE2 LYS A2087 10.820 13.205 -1.625 1.00 64.52 H new ATOM 0 HE3 LYS A2087 9.443 14.140 -2.171 1.00 64.52 H new ATOM 0 HZ1 LYS A2087 11.459 15.454 -2.198 1.00 21.54 H new ATOM 0 HZ2 LYS A2087 10.364 16.091 -1.068 1.00 21.54 H new ATOM 0 HZ3 LYS A2087 11.699 15.185 -0.539 1.00 21.54 H new ATOM 1226 N TYR A2088 7.185 13.313 2.529 1.00 61.24 N ATOM 1227 CA TYR A2088 6.179 14.357 2.440 1.00 1.41 C ATOM 1228 C TYR A2088 5.699 14.776 3.830 1.00 21.53 C ATOM 1229 O TYR A2088 5.392 15.946 4.060 1.00 23.42 O ATOM 1230 CB TYR A2088 5.006 13.748 1.669 1.00 52.13 C ATOM 1231 CG TYR A2088 3.660 14.422 1.950 1.00 10.44 C ATOM 1232 CD1 TYR A2088 3.292 15.548 1.242 1.00 21.15 C ATOM 1233 CD2 TYR A2088 2.815 13.903 2.909 1.00 23.13 C ATOM 1234 CE1 TYR A2088 2.027 16.183 1.506 1.00 32.32 C ATOM 1235 CE2 TYR A2088 1.550 14.538 3.173 1.00 20.31 C ATOM 1236 CZ TYR A2088 1.217 15.644 2.458 1.00 55.35 C ATOM 1237 OH TYR A2088 0.023 16.244 2.707 1.00 35.32 O ATOM 0 H TYR A2088 6.892 12.406 2.166 1.00 61.24 H new ATOM 0 HA TYR A2088 6.586 15.242 1.950 1.00 1.41 H new ATOM 0 HB2 TYR A2088 5.215 13.809 0.601 1.00 52.13 H new ATOM 0 HB3 TYR A2088 4.930 12.690 1.919 1.00 52.13 H new ATOM 0 HD1 TYR A2088 3.953 15.953 0.490 1.00 21.15 H new ATOM 0 HD2 TYR A2088 3.102 13.021 3.462 1.00 23.13 H new ATOM 0 HE1 TYR A2088 1.728 17.066 0.961 1.00 32.32 H new ATOM 0 HE2 TYR A2088 0.881 14.144 3.923 1.00 20.31 H new ATOM 0 HH TYR A2088 -0.451 15.751 3.409 1.00 35.32 H new ATOM 1247 N MET A2089 5.648 13.799 4.723 1.00 64.41 N ATOM 1248 CA MET A2089 5.210 14.050 6.086 1.00 43.12 C ATOM 1249 C MET A2089 6.243 14.884 6.847 1.00 30.32 C ATOM 1250 O MET A2089 5.882 15.723 7.671 1.00 13.11 O ATOM 1251 CB MET A2089 4.996 12.718 6.807 1.00 51.24 C ATOM 1252 CG MET A2089 3.658 12.090 6.411 1.00 42.31 C ATOM 1253 SD MET A2089 2.999 11.145 7.776 1.00 43.44 S ATOM 1254 CE MET A2089 1.312 11.728 7.770 1.00 65.11 C ATOM 0 H MET A2089 5.903 12.831 4.529 1.00 64.41 H new ATOM 0 HA MET A2089 4.274 14.608 6.051 1.00 43.12 H new ATOM 0 HB2 MET A2089 5.809 12.034 6.564 1.00 51.24 H new ATOM 0 HB3 MET A2089 5.023 12.875 7.885 1.00 51.24 H new ATOM 0 HG2 MET A2089 2.952 12.869 6.123 1.00 42.31 H new ATOM 0 HG3 MET A2089 3.792 11.445 5.543 1.00 42.31 H new ATOM 0 HE1 MET A2089 1.128 12.318 8.668 1.00 65.11 H new ATOM 0 HE2 MET A2089 1.144 12.347 6.888 1.00 65.11 H new ATOM 0 HE3 MET A2089 0.633 10.876 7.750 1.00 65.11 H new ATOM 1264 N LYS A2090 7.506 14.622 6.546 1.00 11.43 N ATOM 1265 CA LYS A2090 8.592 15.339 7.193 1.00 1.11 C ATOM 1266 C LYS A2090 8.575 16.800 6.741 1.00 24.14 C ATOM 1267 O LYS A2090 8.469 17.706 7.565 1.00 71.44 O ATOM 1268 CB LYS A2090 9.925 14.632 6.938 1.00 3.30 C ATOM 1269 CG LYS A2090 10.874 14.805 8.126 1.00 23.45 C ATOM 1270 CD LYS A2090 11.439 16.226 8.174 1.00 55.33 C ATOM 1271 CE LYS A2090 11.482 16.751 9.610 1.00 34.00 C ATOM 1272 NZ LYS A2090 11.822 18.190 9.627 1.00 52.41 N ATOM 0 H LYS A2090 7.802 13.924 5.864 1.00 11.43 H new ATOM 0 HA LYS A2090 8.458 15.339 8.275 1.00 1.11 H new ATOM 0 HB2 LYS A2090 9.750 13.571 6.760 1.00 3.30 H new ATOM 0 HB3 LYS A2090 10.388 15.035 6.037 1.00 3.30 H new ATOM 0 HG2 LYS A2090 10.344 14.589 9.054 1.00 23.45 H new ATOM 0 HG3 LYS A2090 11.691 14.087 8.051 1.00 23.45 H new ATOM 0 HD2 LYS A2090 12.443 16.237 7.749 1.00 55.33 H new ATOM 0 HD3 LYS A2090 10.826 16.886 7.560 1.00 55.33 H new ATOM 0 HE2 LYS A2090 10.516 16.594 10.090 1.00 34.00 H new ATOM 0 HE3 LYS A2090 12.218 16.191 10.186 1.00 34.00 H new ATOM 0 HZ1 LYS A2090 11.847 18.529 10.610 1.00 52.41 H new ATOM 0 HZ2 LYS A2090 12.754 18.332 9.188 1.00 52.41 H new ATOM 0 HZ3 LYS A2090 11.104 18.723 9.095 1.00 52.41 H new ATOM 1285 N SER A2091 8.682 16.984 5.433 1.00 24.52 N ATOM 1286 CA SER A2091 8.681 18.320 4.862 1.00 34.42 C ATOM 1287 C SER A2091 8.861 18.240 3.346 1.00 64.21 C ATOM 1288 O SER A2091 9.890 18.662 2.817 1.00 34.41 O ATOM 1289 CB SER A2091 9.777 19.185 5.484 1.00 74.41 C ATOM 1290 OG SER A2091 9.252 20.109 6.435 1.00 13.52 O ATOM 0 H SER A2091 8.770 16.230 4.752 1.00 24.52 H new ATOM 0 HA SER A2091 7.721 18.787 5.082 1.00 34.42 H new ATOM 0 HB2 SER A2091 10.513 18.544 5.969 1.00 74.41 H new ATOM 0 HB3 SER A2091 10.298 19.731 4.698 1.00 74.41 H new ATOM 0 HG SER A2091 8.800 19.618 7.153 1.00 13.52 H new ATOM 1296 N GLY A2092 7.850 17.696 2.687 1.00 54.42 N ATOM 1297 CA GLY A2092 7.885 17.557 1.241 1.00 10.24 C ATOM 1298 C GLY A2092 6.809 18.421 0.580 1.00 64.22 C ATOM 1299 O GLY A2092 6.554 19.542 1.016 1.00 14.12 O ATOM 0 H GLY A2092 7.000 17.345 3.128 1.00 54.42 H new ATOM 0 HA2 GLY A2092 8.868 17.846 0.868 1.00 10.24 H new ATOM 0 HA3 GLY A2092 7.735 16.512 0.969 1.00 10.24 H new ATOM 1303 N ASN A2093 6.207 17.866 -0.463 1.00 44.41 N ATOM 1304 CA ASN A2093 5.166 18.572 -1.189 1.00 54.53 C ATOM 1305 C ASN A2093 4.131 17.565 -1.692 1.00 65.43 C ATOM 1306 O ASN A2093 4.398 16.367 -1.744 1.00 4.01 O ATOM 1307 CB ASN A2093 5.741 19.307 -2.401 1.00 52.33 C ATOM 1308 CG ASN A2093 5.521 20.818 -2.281 1.00 31.12 C ATOM 1309 OD1 ASN A2093 6.406 21.572 -1.914 1.00 14.13 O ATOM 1310 ND2 ASN A2093 4.294 21.213 -2.610 1.00 3.43 N ATOM 0 H ASN A2093 6.421 16.935 -0.822 1.00 44.41 H new ATOM 0 HA ASN A2093 4.713 19.296 -0.512 1.00 54.53 H new ATOM 0 HB2 ASN A2093 6.807 19.097 -2.486 1.00 52.33 H new ATOM 0 HB3 ASN A2093 5.269 18.938 -3.312 1.00 52.33 H new ATOM 0 HD21 ASN A2093 4.047 22.201 -2.563 1.00 3.43 H new ATOM 0 HD22 ASN A2093 3.601 20.527 -2.909 1.00 3.43 H new ATOM 1317 N VAL A2094 2.968 18.091 -2.053 1.00 45.14 N ATOM 1318 CA VAL A2094 1.891 17.253 -2.553 1.00 23.34 C ATOM 1319 C VAL A2094 2.433 16.330 -3.646 1.00 11.41 C ATOM 1320 O VAL A2094 2.096 15.149 -3.690 1.00 42.31 O ATOM 1321 CB VAL A2094 0.728 18.125 -3.028 1.00 53.15 C ATOM 1322 CG1 VAL A2094 0.825 18.398 -4.530 1.00 64.33 C ATOM 1323 CG2 VAL A2094 -0.618 17.488 -2.672 1.00 5.43 C ATOM 0 H VAL A2094 2.749 19.086 -2.009 1.00 45.14 H new ATOM 0 HA VAL A2094 1.500 16.618 -1.758 1.00 23.34 H new ATOM 0 HB VAL A2094 0.793 19.081 -2.509 1.00 53.15 H new ATOM 0 HG11 VAL A2094 -0.014 19.020 -4.842 1.00 64.33 H new ATOM 0 HG12 VAL A2094 1.760 18.915 -4.746 1.00 64.33 H new ATOM 0 HG13 VAL A2094 0.798 17.454 -5.074 1.00 64.33 H new ATOM 0 HG21 VAL A2094 -1.428 18.129 -3.021 1.00 5.43 H new ATOM 0 HG22 VAL A2094 -0.696 16.512 -3.150 1.00 5.43 H new ATOM 0 HG23 VAL A2094 -0.690 17.369 -1.591 1.00 5.43 H new ATOM 1333 N LYS A2095 3.264 16.907 -4.502 1.00 63.54 N ATOM 1334 CA LYS A2095 3.856 16.151 -5.594 1.00 44.14 C ATOM 1335 C LYS A2095 4.459 14.857 -5.044 1.00 71.32 C ATOM 1336 O LYS A2095 4.443 13.826 -5.716 1.00 34.32 O ATOM 1337 CB LYS A2095 4.855 17.016 -6.365 1.00 55.51 C ATOM 1338 CG LYS A2095 6.024 17.431 -5.469 1.00 44.23 C ATOM 1339 CD LYS A2095 7.365 17.090 -6.125 1.00 73.52 C ATOM 1340 CE LYS A2095 8.191 18.352 -6.374 1.00 15.31 C ATOM 1341 NZ LYS A2095 7.737 19.035 -7.607 1.00 13.45 N ATOM 0 H LYS A2095 3.541 17.888 -4.462 1.00 63.54 H new ATOM 0 HA LYS A2095 3.092 15.865 -6.318 1.00 44.14 H new ATOM 0 HB2 LYS A2095 5.230 16.464 -7.227 1.00 55.51 H new ATOM 0 HB3 LYS A2095 4.353 17.904 -6.749 1.00 55.51 H new ATOM 0 HG2 LYS A2095 5.973 18.502 -5.271 1.00 44.23 H new ATOM 0 HG3 LYS A2095 5.947 16.925 -4.506 1.00 44.23 H new ATOM 0 HD2 LYS A2095 7.923 16.406 -5.485 1.00 73.52 H new ATOM 0 HD3 LYS A2095 7.191 16.573 -7.069 1.00 73.52 H new ATOM 0 HE2 LYS A2095 8.100 19.027 -5.523 1.00 15.31 H new ATOM 0 HE3 LYS A2095 9.246 18.092 -6.463 1.00 15.31 H new ATOM 0 HZ1 LYS A2095 8.309 19.890 -7.761 1.00 13.45 H new ATOM 0 HZ2 LYS A2095 7.846 18.395 -8.419 1.00 13.45 H new ATOM 0 HZ3 LYS A2095 6.736 19.301 -7.508 1.00 13.45 H new ATOM 1354 N ASP A2096 4.975 14.951 -3.828 1.00 33.51 N ATOM 1355 CA ASP A2096 5.581 13.802 -3.180 1.00 31.32 C ATOM 1356 C ASP A2096 4.480 12.862 -2.683 1.00 14.21 C ATOM 1357 O ASP A2096 4.576 11.647 -2.844 1.00 14.32 O ATOM 1358 CB ASP A2096 6.420 14.228 -1.974 1.00 64.12 C ATOM 1359 CG ASP A2096 7.397 15.374 -2.238 1.00 62.32 C ATOM 1360 OD1 ASP A2096 7.800 16.097 -1.315 1.00 70.20 O ATOM 1361 OD2 ASP A2096 7.750 15.516 -3.472 1.00 64.40 O ATOM 0 H ASP A2096 4.986 15.807 -3.274 1.00 33.51 H new ATOM 0 HA ASP A2096 6.223 13.305 -3.907 1.00 31.32 H new ATOM 0 HB2 ASP A2096 5.747 14.523 -1.168 1.00 64.12 H new ATOM 0 HB3 ASP A2096 6.983 13.365 -1.619 1.00 64.12 H new ATOM 1367 N LEU A2097 3.460 13.462 -2.087 1.00 73.14 N ATOM 1368 CA LEU A2097 2.341 12.695 -1.564 1.00 44.20 C ATOM 1369 C LEU A2097 1.672 11.932 -2.710 1.00 14.24 C ATOM 1370 O LEU A2097 1.346 10.756 -2.569 1.00 14.24 O ATOM 1371 CB LEU A2097 1.385 13.603 -0.788 1.00 63.12 C ATOM 1372 CG LEU A2097 0.024 12.999 -0.438 1.00 64.23 C ATOM 1373 CD1 LEU A2097 0.165 11.531 -0.029 1.00 62.42 C ATOM 1374 CD2 LEU A2097 -0.683 13.829 0.637 1.00 33.34 C ATOM 0 H LEU A2097 3.385 14.471 -1.954 1.00 73.14 H new ATOM 0 HA LEU A2097 2.690 11.952 -0.847 1.00 44.20 H new ATOM 0 HB2 LEU A2097 1.874 13.907 0.137 1.00 63.12 H new ATOM 0 HB3 LEU A2097 1.219 14.508 -1.373 1.00 63.12 H new ATOM 0 HG LEU A2097 -0.602 13.026 -1.330 1.00 64.23 H new ATOM 0 HD11 LEU A2097 -0.817 11.125 0.215 1.00 62.42 H new ATOM 0 HD12 LEU A2097 0.598 10.964 -0.853 1.00 62.42 H new ATOM 0 HD13 LEU A2097 0.815 11.457 0.843 1.00 62.42 H new ATOM 0 HD21 LEU A2097 -1.648 13.379 0.868 1.00 33.34 H new ATOM 0 HD22 LEU A2097 -0.070 13.856 1.538 1.00 33.34 H new ATOM 0 HD23 LEU A2097 -0.835 14.845 0.271 1.00 33.34 H new ATOM 1386 N THR A2098 1.488 12.634 -3.818 1.00 2.14 N ATOM 1387 CA THR A2098 0.864 12.039 -4.986 1.00 23.10 C ATOM 1388 C THR A2098 1.737 10.910 -5.540 1.00 10.21 C ATOM 1389 O THR A2098 1.233 9.841 -5.884 1.00 51.24 O ATOM 1390 CB THR A2098 0.596 13.153 -6.000 1.00 3.15 C ATOM 1391 OG1 THR A2098 -0.558 13.814 -5.491 1.00 65.35 O ATOM 1392 CG2 THR A2098 0.148 12.614 -7.359 1.00 24.34 C ATOM 0 H THR A2098 1.761 13.610 -3.931 1.00 2.14 H new ATOM 0 HA THR A2098 -0.089 11.576 -4.732 1.00 23.10 H new ATOM 0 HB THR A2098 1.498 13.752 -6.128 1.00 3.15 H new ATOM 0 HG1 THR A2098 -1.198 13.149 -5.162 1.00 65.35 H new ATOM 0 HG21 THR A2098 -0.028 13.446 -8.040 1.00 24.34 H new ATOM 0 HG22 THR A2098 0.925 11.968 -7.768 1.00 24.34 H new ATOM 0 HG23 THR A2098 -0.772 12.043 -7.238 1.00 24.34 H new ATOM 1400 N GLN A2099 3.030 11.186 -5.610 1.00 30.41 N ATOM 1401 CA GLN A2099 3.978 10.206 -6.115 1.00 40.12 C ATOM 1402 C GLN A2099 3.856 8.897 -5.334 1.00 72.30 C ATOM 1403 O GLN A2099 3.850 7.818 -5.923 1.00 22.45 O ATOM 1404 CB GLN A2099 5.409 10.748 -6.060 1.00 75.22 C ATOM 1405 CG GLN A2099 5.995 10.896 -7.464 1.00 64.01 C ATOM 1406 CD GLN A2099 7.458 11.336 -7.404 1.00 3.22 C ATOM 1407 OE1 GLN A2099 8.038 11.512 -6.345 1.00 14.31 O ATOM 1408 NE2 GLN A2099 8.023 11.503 -8.597 1.00 11.34 N ATOM 0 H GLN A2099 3.444 12.074 -5.326 1.00 30.41 H new ATOM 0 HA GLN A2099 3.741 10.005 -7.160 1.00 40.12 H new ATOM 0 HB2 GLN A2099 5.416 11.714 -5.556 1.00 75.22 H new ATOM 0 HB3 GLN A2099 6.033 10.076 -5.471 1.00 75.22 H new ATOM 0 HG2 GLN A2099 5.918 9.948 -7.996 1.00 64.01 H new ATOM 0 HG3 GLN A2099 5.415 11.626 -8.029 1.00 64.01 H new ATOM 0 HE21 GLN A2099 7.481 11.339 -9.445 1.00 11.34 H new ATOM 0 HE22 GLN A2099 8.998 11.795 -8.663 1.00 11.34 H new ATOM 1417 N ALA A2100 3.764 9.036 -4.020 1.00 44.31 N ATOM 1418 CA ALA A2100 3.643 7.877 -3.152 1.00 72.21 C ATOM 1419 C ALA A2100 2.330 7.153 -3.455 1.00 34.03 C ATOM 1420 O ALA A2100 2.298 5.925 -3.536 1.00 3.33 O ATOM 1421 CB ALA A2100 3.739 8.320 -1.691 1.00 55.01 C ATOM 0 H ALA A2100 3.771 9.933 -3.535 1.00 44.31 H new ATOM 0 HA ALA A2100 4.457 7.175 -3.334 1.00 72.21 H new ATOM 0 HB1 ALA A2100 3.648 7.450 -1.040 1.00 55.01 H new ATOM 0 HB2 ALA A2100 4.701 8.802 -1.520 1.00 55.01 H new ATOM 0 HB3 ALA A2100 2.936 9.023 -1.471 1.00 55.01 H new ATOM 1427 N TRP A2101 1.278 7.943 -3.615 1.00 20.02 N ATOM 1428 CA TRP A2101 -0.035 7.392 -3.907 1.00 10.13 C ATOM 1429 C TRP A2101 0.062 6.611 -5.219 1.00 2.51 C ATOM 1430 O TRP A2101 -0.642 5.621 -5.410 1.00 13.33 O ATOM 1431 CB TRP A2101 -1.095 8.494 -3.946 1.00 61.04 C ATOM 1432 CG TRP A2101 -2.097 8.434 -2.790 1.00 61.41 C ATOM 1433 CD1 TRP A2101 -2.314 9.351 -1.839 1.00 13.32 C ATOM 1434 CD2 TRP A2101 -3.015 7.360 -2.505 1.00 13.05 C ATOM 1435 NE1 TRP A2101 -3.300 8.948 -0.963 1.00 32.13 N ATOM 1436 CE2 TRP A2101 -3.741 7.696 -1.380 1.00 41.42 C ATOM 1437 CE3 TRP A2101 -3.225 6.139 -3.173 1.00 13.35 C ATOM 1438 CZ2 TRP A2101 -4.725 6.869 -0.826 1.00 43.22 C ATOM 1439 CZ3 TRP A2101 -4.213 5.325 -2.605 1.00 11.15 C ATOM 1440 CH2 TRP A2101 -4.951 5.651 -1.475 1.00 34.50 C ATOM 0 H TRP A2101 1.308 8.960 -3.548 1.00 20.02 H new ATOM 0 HA TRP A2101 -0.352 6.710 -3.118 1.00 10.13 H new ATOM 0 HB2 TRP A2101 -0.597 9.464 -3.932 1.00 61.04 H new ATOM 0 HB3 TRP A2101 -1.639 8.428 -4.888 1.00 61.04 H new ATOM 0 HD1 TRP A2101 -1.783 10.289 -1.767 1.00 13.32 H new ATOM 0 HE1 TRP A2101 -3.643 9.472 -0.158 1.00 32.13 H new ATOM 0 HE3 TRP A2101 -2.669 5.853 -4.053 1.00 13.35 H new ATOM 0 HZ2 TRP A2101 -5.280 7.156 0.055 1.00 43.22 H new ATOM 0 HZ3 TRP A2101 -4.415 4.376 -3.080 1.00 11.15 H new ATOM 0 HH2 TRP A2101 -5.697 4.967 -1.099 1.00 34.50 H new ATOM 1451 N ASP A2102 0.942 7.084 -6.089 1.00 51.14 N ATOM 1452 CA ASP A2102 1.140 6.443 -7.377 1.00 2.43 C ATOM 1453 C ASP A2102 1.789 5.074 -7.167 1.00 13.25 C ATOM 1454 O ASP A2102 1.305 4.066 -7.677 1.00 63.12 O ATOM 1455 CB ASP A2102 2.066 7.271 -8.270 1.00 32.04 C ATOM 1456 CG ASP A2102 1.648 7.349 -9.740 1.00 22.12 C ATOM 1457 OD1 ASP A2102 0.535 7.786 -10.065 1.00 72.30 O ATOM 1458 OD2 ASP A2102 2.533 6.931 -10.581 1.00 21.34 O ATOM 0 H ASP A2102 1.526 7.904 -5.927 1.00 51.14 H new ATOM 0 HA ASP A2102 0.166 6.348 -7.857 1.00 2.43 H new ATOM 0 HB2 ASP A2102 2.122 8.283 -7.870 1.00 32.04 H new ATOM 0 HB3 ASP A2102 3.070 6.850 -8.215 1.00 32.04 H new ATOM 1464 N LEU A2103 2.877 5.080 -6.408 1.00 32.33 N ATOM 1465 CA LEU A2103 3.597 3.851 -6.122 1.00 13.02 C ATOM 1466 C LEU A2103 2.630 2.825 -5.526 1.00 63.14 C ATOM 1467 O LEU A2103 2.647 1.657 -5.912 1.00 21.24 O ATOM 1468 CB LEU A2103 4.812 4.135 -5.236 1.00 40.15 C ATOM 1469 CG LEU A2103 5.853 5.097 -5.815 1.00 62.21 C ATOM 1470 CD1 LEU A2103 6.700 5.721 -4.705 1.00 11.33 C ATOM 1471 CD2 LEU A2103 6.715 4.400 -6.870 1.00 50.22 C ATOM 0 H LEU A2103 3.276 5.917 -5.983 1.00 32.33 H new ATOM 0 HA LEU A2103 3.994 3.421 -7.041 1.00 13.02 H new ATOM 0 HB2 LEU A2103 4.459 4.541 -4.288 1.00 40.15 H new ATOM 0 HB3 LEU A2103 5.305 3.188 -5.014 1.00 40.15 H new ATOM 0 HG LEU A2103 5.327 5.911 -6.314 1.00 62.21 H new ATOM 0 HD11 LEU A2103 7.431 6.400 -5.143 1.00 11.33 H new ATOM 0 HD12 LEU A2103 6.055 6.274 -4.022 1.00 11.33 H new ATOM 0 HD13 LEU A2103 7.218 4.934 -4.157 1.00 11.33 H new ATOM 0 HD21 LEU A2103 7.446 5.105 -7.266 1.00 50.22 H new ATOM 0 HD22 LEU A2103 7.233 3.555 -6.416 1.00 50.22 H new ATOM 0 HD23 LEU A2103 6.080 4.043 -7.681 1.00 50.22 H new ATOM 1483 N TYR A2104 1.811 3.299 -4.600 1.00 10.23 N ATOM 1484 CA TYR A2104 0.839 2.437 -3.949 1.00 63.40 C ATOM 1485 C TYR A2104 -0.088 1.785 -4.975 1.00 35.21 C ATOM 1486 O TYR A2104 -0.198 0.560 -5.029 1.00 62.20 O ATOM 1487 CB TYR A2104 0.013 3.346 -3.037 1.00 71.12 C ATOM 1488 CG TYR A2104 0.682 3.660 -1.699 1.00 43.34 C ATOM 1489 CD1 TYR A2104 2.027 3.968 -1.655 1.00 43.00 C ATOM 1490 CD2 TYR A2104 -0.057 3.634 -0.533 1.00 64.23 C ATOM 1491 CE1 TYR A2104 2.659 4.264 -0.395 1.00 33.34 C ATOM 1492 CE2 TYR A2104 0.574 3.930 0.727 1.00 31.02 C ATOM 1493 CZ TYR A2104 1.901 4.229 0.735 1.00 63.11 C ATOM 1494 OH TYR A2104 2.496 4.509 1.926 1.00 62.31 O ATOM 0 H TYR A2104 1.800 4.269 -4.285 1.00 10.23 H new ATOM 0 HA TYR A2104 1.340 1.639 -3.401 1.00 63.40 H new ATOM 0 HB2 TYR A2104 -0.188 4.281 -3.559 1.00 71.12 H new ATOM 0 HB3 TYR A2104 -0.951 2.874 -2.847 1.00 71.12 H new ATOM 0 HD1 TYR A2104 2.606 3.987 -2.566 1.00 43.00 H new ATOM 0 HD2 TYR A2104 -1.109 3.392 -0.566 1.00 64.23 H new ATOM 0 HE1 TYR A2104 3.710 4.508 -0.348 1.00 33.34 H new ATOM 0 HE2 TYR A2104 0.006 3.915 1.646 1.00 31.02 H new ATOM 0 HH TYR A2104 1.833 4.447 2.645 1.00 62.31 H new ATOM 1504 N TYR A2105 -0.734 2.630 -5.764 1.00 73.21 N ATOM 1505 CA TYR A2105 -1.651 2.151 -6.785 1.00 4.22 C ATOM 1506 C TYR A2105 -1.008 1.042 -7.620 1.00 30.54 C ATOM 1507 O TYR A2105 -1.678 0.088 -8.012 1.00 22.40 O ATOM 1508 CB TYR A2105 -1.938 3.351 -7.690 1.00 23.34 C ATOM 1509 CG TYR A2105 -3.344 3.350 -8.294 1.00 51.25 C ATOM 1510 CD1 TYR A2105 -3.958 2.156 -8.614 1.00 44.24 C ATOM 1511 CD2 TYR A2105 -3.997 4.544 -8.522 1.00 51.20 C ATOM 1512 CE1 TYR A2105 -5.281 2.157 -9.183 1.00 54.32 C ATOM 1513 CE2 TYR A2105 -5.319 4.545 -9.090 1.00 64.43 C ATOM 1514 CZ TYR A2105 -5.896 3.352 -9.393 1.00 24.25 C ATOM 1515 OH TYR A2105 -7.146 3.351 -9.932 1.00 35.14 O ATOM 0 H TYR A2105 -0.641 3.645 -5.717 1.00 73.21 H new ATOM 0 HA TYR A2105 -2.554 1.744 -6.330 1.00 4.22 H new ATOM 0 HB2 TYR A2105 -1.800 4.267 -7.116 1.00 23.34 H new ATOM 0 HB3 TYR A2105 -1.206 3.368 -8.498 1.00 23.34 H new ATOM 0 HD1 TYR A2105 -3.446 1.221 -8.438 1.00 44.24 H new ATOM 0 HD2 TYR A2105 -3.516 5.478 -8.274 1.00 51.20 H new ATOM 0 HE1 TYR A2105 -5.774 1.230 -9.437 1.00 54.32 H new ATOM 0 HE2 TYR A2105 -5.841 5.473 -9.272 1.00 64.43 H new ATOM 0 HH TYR A2105 -7.463 4.274 -10.025 1.00 35.14 H new ATOM 1525 N HIS A2106 0.285 1.202 -7.867 1.00 54.13 N ATOM 1526 CA HIS A2106 1.025 0.225 -8.647 1.00 44.25 C ATOM 1527 C HIS A2106 1.005 -1.126 -7.930 1.00 50.32 C ATOM 1528 O HIS A2106 0.591 -2.131 -8.505 1.00 45.20 O ATOM 1529 CB HIS A2106 2.442 0.723 -8.937 1.00 33.14 C ATOM 1530 CG HIS A2106 2.792 0.761 -10.405 1.00 23.50 C ATOM 1531 ND1 HIS A2106 2.413 -0.233 -11.292 1.00 22.13 N ATOM 1532 CD2 HIS A2106 3.488 1.681 -11.133 1.00 70.34 C ATOM 1533 CE1 HIS A2106 2.869 0.086 -12.496 1.00 35.44 C ATOM 1534 NE2 HIS A2106 3.533 1.272 -12.395 1.00 13.13 N ATOM 0 H HIS A2106 0.838 1.994 -7.540 1.00 54.13 H new ATOM 0 HA HIS A2106 0.545 0.089 -9.616 1.00 44.25 H new ATOM 0 HB2 HIS A2106 2.556 1.724 -8.521 1.00 33.14 H new ATOM 0 HB3 HIS A2106 3.155 0.080 -8.421 1.00 33.14 H new ATOM 0 HD2 HIS A2106 3.928 2.589 -10.748 1.00 70.34 H new ATOM 0 HE1 HIS A2106 2.737 -0.493 -13.398 1.00 35.44 H new ATOM 0 HE2 HIS A2106 3.989 1.764 -13.163 1.00 13.13 H new ATOM 1543 N VAL A2107 1.457 -1.105 -6.685 1.00 62.42 N ATOM 1544 CA VAL A2107 1.497 -2.317 -5.885 1.00 33.15 C ATOM 1545 C VAL A2107 0.068 -2.784 -5.601 1.00 51.14 C ATOM 1546 O VAL A2107 -0.243 -3.966 -5.738 1.00 32.45 O ATOM 1547 CB VAL A2107 2.311 -2.076 -4.611 1.00 22.13 C ATOM 1548 CG1 VAL A2107 3.515 -1.175 -4.893 1.00 34.33 C ATOM 1549 CG2 VAL A2107 1.434 -1.487 -3.503 1.00 61.51 C ATOM 0 H VAL A2107 1.798 -0.269 -6.211 1.00 62.42 H new ATOM 0 HA VAL A2107 1.998 -3.117 -6.430 1.00 33.15 H new ATOM 0 HB VAL A2107 2.686 -3.039 -4.265 1.00 22.13 H new ATOM 0 HG11 VAL A2107 4.077 -1.019 -3.972 1.00 34.33 H new ATOM 0 HG12 VAL A2107 4.158 -1.649 -5.635 1.00 34.33 H new ATOM 0 HG13 VAL A2107 3.169 -0.214 -5.274 1.00 34.33 H new ATOM 0 HG21 VAL A2107 2.037 -1.325 -2.609 1.00 61.51 H new ATOM 0 HG22 VAL A2107 1.017 -0.537 -3.836 1.00 61.51 H new ATOM 0 HG23 VAL A2107 0.624 -2.179 -3.274 1.00 61.51 H new ATOM 1559 N PHE A2108 -0.765 -1.830 -5.210 1.00 13.42 N ATOM 1560 CA PHE A2108 -2.153 -2.127 -4.906 1.00 33.50 C ATOM 1561 C PHE A2108 -2.889 -2.638 -6.146 1.00 71.21 C ATOM 1562 O PHE A2108 -3.824 -3.432 -6.037 1.00 53.22 O ATOM 1563 CB PHE A2108 -2.802 -0.820 -4.446 1.00 75.12 C ATOM 1564 CG PHE A2108 -2.716 -0.581 -2.936 1.00 24.33 C ATOM 1565 CD1 PHE A2108 -3.638 -1.140 -2.106 1.00 74.44 C ATOM 1566 CD2 PHE A2108 -1.718 0.188 -2.425 1.00 52.33 C ATOM 1567 CE1 PHE A2108 -3.560 -0.917 -0.706 1.00 3.31 C ATOM 1568 CE2 PHE A2108 -1.639 0.411 -1.025 1.00 61.22 C ATOM 1569 CZ PHE A2108 -2.561 -0.147 -0.195 1.00 23.31 C ATOM 0 H PHE A2108 -0.504 -0.850 -5.097 1.00 13.42 H new ATOM 0 HA PHE A2108 -2.207 -2.900 -4.139 1.00 33.50 H new ATOM 0 HB2 PHE A2108 -2.325 0.013 -4.963 1.00 75.12 H new ATOM 0 HB3 PHE A2108 -3.850 -0.822 -4.744 1.00 75.12 H new ATOM 0 HD1 PHE A2108 -4.429 -1.753 -2.512 1.00 74.44 H new ATOM 0 HD2 PHE A2108 -0.985 0.629 -3.084 1.00 52.33 H new ATOM 0 HE1 PHE A2108 -4.293 -1.358 -0.047 1.00 3.31 H new ATOM 0 HE2 PHE A2108 -0.847 1.023 -0.619 1.00 61.22 H new ATOM 0 HZ PHE A2108 -2.500 0.021 0.870 1.00 23.31 H new ATOM 1579 N ARG A2109 -2.441 -2.162 -7.299 1.00 23.14 N ATOM 1580 CA ARG A2109 -3.045 -2.560 -8.559 1.00 53.22 C ATOM 1581 C ARG A2109 -2.519 -3.931 -8.991 1.00 54.11 C ATOM 1582 O ARG A2109 -3.218 -4.681 -9.669 1.00 22.12 O ATOM 1583 CB ARG A2109 -2.748 -1.539 -9.659 1.00 42.31 C ATOM 1584 CG ARG A2109 -3.240 -2.039 -11.019 1.00 5.01 C ATOM 1585 CD ARG A2109 -3.317 -0.892 -12.029 1.00 2.42 C ATOM 1586 NE ARG A2109 -4.599 -0.953 -12.766 1.00 72.22 N ATOM 1587 CZ ARG A2109 -5.165 0.104 -13.389 1.00 32.12 C ATOM 1588 NH1 ARG A2109 -4.566 1.313 -13.367 1.00 74.41 N ATOM 1589 NH2 ARG A2109 -6.314 -0.063 -14.016 1.00 5.05 N ATOM 0 H ARG A2109 -1.666 -1.504 -7.387 1.00 23.14 H new ATOM 0 HA ARG A2109 -4.123 -2.612 -8.408 1.00 53.22 H new ATOM 0 HB2 ARG A2109 -3.230 -0.591 -9.420 1.00 42.31 H new ATOM 0 HB3 ARG A2109 -1.676 -1.349 -9.704 1.00 42.31 H new ATOM 0 HG2 ARG A2109 -2.568 -2.812 -11.391 1.00 5.01 H new ATOM 0 HG3 ARG A2109 -4.223 -2.498 -10.908 1.00 5.01 H new ATOM 0 HD2 ARG A2109 -3.229 0.064 -11.513 1.00 2.42 H new ATOM 0 HD3 ARG A2109 -2.483 -0.955 -12.728 1.00 2.42 H new ATOM 0 HE ARG A2109 -5.086 -1.849 -12.806 1.00 72.22 H new ATOM 0 HH11 ARG A2109 -3.679 1.434 -12.878 1.00 74.41 H new ATOM 0 HH12 ARG A2109 -5.000 2.106 -13.840 1.00 74.41 H new ATOM 0 HH21 ARG A2109 -6.761 -0.980 -14.025 1.00 5.05 H new ATOM 0 HH22 ARG A2109 -6.755 0.725 -14.491 1.00 5.05 H new ATOM 1601 N ARG A2110 -1.292 -4.215 -8.577 1.00 4.32 N ATOM 1602 CA ARG A2110 -0.665 -5.483 -8.912 1.00 64.35 C ATOM 1603 C ARG A2110 -1.332 -6.625 -8.143 1.00 35.13 C ATOM 1604 O ARG A2110 -1.747 -7.619 -8.737 1.00 74.12 O ATOM 1605 CB ARG A2110 0.830 -5.461 -8.586 1.00 3.11 C ATOM 1606 CG ARG A2110 1.628 -4.800 -9.712 1.00 40.21 C ATOM 1607 CD ARG A2110 1.745 -5.732 -10.920 1.00 21.02 C ATOM 1608 NE ARG A2110 1.113 -5.107 -12.104 1.00 62.22 N ATOM 1609 CZ ARG A2110 1.613 -4.034 -12.751 1.00 55.32 C ATOM 1610 NH1 ARG A2110 2.759 -3.455 -12.332 1.00 50.24 N ATOM 1611 NH2 ARG A2110 0.967 -3.558 -13.798 1.00 22.44 N ATOM 0 H ARG A2110 -0.716 -3.590 -8.013 1.00 4.32 H new ATOM 0 HA ARG A2110 -0.789 -5.642 -9.983 1.00 64.35 H new ATOM 0 HB2 ARG A2110 0.994 -4.921 -7.654 1.00 3.11 H new ATOM 0 HB3 ARG A2110 1.187 -6.479 -8.432 1.00 3.11 H new ATOM 0 HG2 ARG A2110 1.142 -3.871 -10.010 1.00 40.21 H new ATOM 0 HG3 ARG A2110 2.623 -4.538 -9.352 1.00 40.21 H new ATOM 0 HD2 ARG A2110 2.794 -5.943 -11.126 1.00 21.02 H new ATOM 0 HD3 ARG A2110 1.265 -6.686 -10.702 1.00 21.02 H new ATOM 0 HE ARG A2110 0.245 -5.513 -12.453 1.00 62.22 H new ATOM 0 HH11 ARG A2110 3.252 -3.829 -11.521 1.00 50.24 H new ATOM 0 HH12 ARG A2110 3.131 -2.644 -12.826 1.00 50.24 H new ATOM 0 HH21 ARG A2110 0.102 -4.001 -14.108 1.00 22.44 H new ATOM 0 HH22 ARG A2110 1.333 -2.747 -14.298 1.00 22.44 H new ATOM 1623 N ILE A2111 -1.413 -6.444 -6.833 1.00 1.03 N ATOM 1624 CA ILE A2111 -2.021 -7.448 -5.977 1.00 11.11 C ATOM 1625 C ILE A2111 -3.313 -7.950 -6.624 1.00 71.31 C ATOM 1626 O ILE A2111 -3.656 -9.125 -6.505 1.00 12.41 O ATOM 1627 CB ILE A2111 -2.218 -6.897 -4.562 1.00 43.32 C ATOM 1628 CG1 ILE A2111 -2.914 -5.536 -4.595 1.00 75.21 C ATOM 1629 CG2 ILE A2111 -0.889 -6.842 -3.806 1.00 1.40 C ATOM 1630 CD1 ILE A2111 -2.936 -4.896 -3.204 1.00 43.23 C ATOM 0 H ILE A2111 -1.068 -5.618 -6.344 1.00 1.03 H new ATOM 0 HA ILE A2111 -1.360 -8.309 -5.872 1.00 11.11 H new ATOM 0 HB ILE A2111 -2.871 -7.579 -4.018 1.00 43.32 H new ATOM 0 HG12 ILE A2111 -2.399 -4.877 -5.294 1.00 75.21 H new ATOM 0 HG13 ILE A2111 -3.934 -5.654 -4.961 1.00 75.21 H new ATOM 0 HG21 ILE A2111 -1.056 -6.447 -2.804 1.00 1.40 H new ATOM 0 HG22 ILE A2111 -0.469 -7.845 -3.735 1.00 1.40 H new ATOM 0 HG23 ILE A2111 -0.193 -6.194 -4.340 1.00 1.40 H new ATOM 0 HD11 ILE A2111 -3.437 -3.929 -3.256 1.00 43.23 H new ATOM 0 HD12 ILE A2111 -3.473 -5.546 -2.513 1.00 43.23 H new ATOM 0 HD13 ILE A2111 -1.914 -4.757 -2.851 1.00 43.23 H new ATOM 1642 N SER A2112 -3.995 -7.034 -7.297 1.00 24.43 N ATOM 1643 CA SER A2112 -5.242 -7.369 -7.965 1.00 21.43 C ATOM 1644 C SER A2112 -4.954 -7.954 -9.348 1.00 4.15 C ATOM 1645 O SER A2112 -5.407 -9.051 -9.670 1.00 71.34 O ATOM 1646 CB SER A2112 -6.149 -6.144 -8.085 1.00 24.05 C ATOM 1647 OG SER A2112 -6.926 -5.939 -6.909 1.00 54.25 O ATOM 0 H SER A2112 -3.708 -6.060 -7.394 1.00 24.43 H new ATOM 0 HA SER A2112 -5.762 -8.115 -7.364 1.00 21.43 H new ATOM 0 HB2 SER A2112 -5.541 -5.260 -8.277 1.00 24.05 H new ATOM 0 HB3 SER A2112 -6.812 -6.266 -8.941 1.00 24.05 H new ATOM 0 HG SER A2112 -7.491 -5.146 -7.024 1.00 54.25 H new ATOM 1653 N LYS A2113 -4.199 -7.197 -10.131 1.00 73.14 N ATOM 1654 CA LYS A2113 -3.845 -7.625 -11.474 1.00 52.25 C ATOM 1655 C LYS A2113 -3.526 -9.122 -11.458 1.00 11.01 C ATOM 1656 O LYS A2113 -2.547 -9.544 -10.845 1.00 23.03 O ATOM 1657 CB LYS A2113 -2.712 -6.761 -12.030 1.00 33.44 C ATOM 1658 CG LYS A2113 -3.131 -6.085 -13.337 1.00 44.45 C ATOM 1659 CD LYS A2113 -4.162 -4.984 -13.082 1.00 14.32 C ATOM 1660 CE LYS A2113 -5.545 -5.403 -13.581 1.00 61.44 C ATOM 1661 NZ LYS A2113 -6.433 -4.225 -13.698 1.00 41.32 N ATOM 0 H LYS A2113 -3.822 -6.289 -9.860 1.00 73.14 H new ATOM 0 HA LYS A2113 -4.685 -7.484 -12.154 1.00 52.25 H new ATOM 0 HB2 LYS A2113 -2.434 -6.004 -11.297 1.00 33.44 H new ATOM 0 HB3 LYS A2113 -1.830 -7.378 -12.202 1.00 33.44 H new ATOM 0 HG2 LYS A2113 -2.255 -5.661 -13.828 1.00 44.45 H new ATOM 0 HG3 LYS A2113 -3.548 -6.828 -14.017 1.00 44.45 H new ATOM 0 HD2 LYS A2113 -4.208 -4.763 -12.016 1.00 14.32 H new ATOM 0 HD3 LYS A2113 -3.852 -4.067 -13.584 1.00 14.32 H new ATOM 0 HE2 LYS A2113 -5.455 -5.895 -14.549 1.00 61.44 H new ATOM 0 HE3 LYS A2113 -5.982 -6.128 -12.894 1.00 61.44 H new ATOM 0 HZ1 LYS A2113 -7.368 -4.528 -14.038 1.00 41.32 H new ATOM 0 HZ2 LYS A2113 -6.533 -3.772 -12.767 1.00 41.32 H new ATOM 0 HZ3 LYS A2113 -6.023 -3.547 -14.371 1.00 41.32 H new ATOM 1674 N GLN A2114 -4.372 -9.881 -12.138 1.00 25.11 N ATOM 1675 CA GLN A2114 -4.193 -11.321 -12.211 1.00 75.30 C ATOM 1676 C GLN A2114 -3.989 -11.901 -10.810 1.00 2.41 C ATOM 1677 O GLN A2114 -4.801 -12.694 -10.338 1.00 73.51 O ATOM 1678 CB GLN A2114 -3.026 -11.683 -13.131 1.00 51.13 C ATOM 1679 CG GLN A2114 -3.528 -12.148 -14.498 1.00 2.21 C ATOM 1680 CD GLN A2114 -3.433 -11.023 -15.529 1.00 64.24 C ATOM 1681 OE1 GLN A2114 -3.924 -9.922 -15.332 1.00 44.04 O ATOM 1682 NE2 GLN A2114 -2.780 -11.357 -16.638 1.00 32.11 N ATOM 0 H GLN A2114 -5.184 -9.526 -12.644 1.00 25.11 H new ATOM 0 HA GLN A2114 -5.096 -11.759 -12.637 1.00 75.30 H new ATOM 0 HB2 GLN A2114 -2.374 -10.818 -13.254 1.00 51.13 H new ATOM 0 HB3 GLN A2114 -2.428 -12.470 -12.672 1.00 51.13 H new ATOM 0 HG2 GLN A2114 -2.941 -13.003 -14.833 1.00 2.21 H new ATOM 0 HG3 GLN A2114 -4.562 -12.483 -14.415 1.00 2.21 H new ATOM 0 HE21 GLN A2114 -2.393 -12.295 -16.739 1.00 32.11 H new ATOM 0 HE22 GLN A2114 -2.666 -10.675 -17.388 1.00 32.11 H new TER 1691 GLN A2114