USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2082 GLN : amide:sc= -0.0433 K(o=-0.043,f=-0.89) USER MOD Set 1.2: A2104 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A2026 MET CE :methyl 147:sc= -7.08! (180deg=-7.18!) USER MOD Set 2.2: A2057 MET CE :methyl 176:sc= -3.38! (180deg=-0.00425) USER MOD Set 2.3: A2058 MET CE :methyl 156:sc= -17.8! (180deg=-13.9!) USER MOD Set 3.1: A2043 ASN : amide:sc= -6.05! C(o=-11!,f=-9.5!) USER MOD Set 3.2: A2045 LYS NZ :NH3+ -106:sc= -4.75! (180deg=-0.653) USER MOD Set 4.1: A2028 HIS : no HE2:sc= 0.391 K(o=0.83,f=0.29) USER MOD Set 4.2: A2112 SER OG : rot -101:sc= 0.441 USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-0.37) USER MOD Single : A2035 SER OG : rot 40:sc= 1.23 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2047 MET CE :methyl -131:sc= -7.76! (180deg=-16.5!) USER MOD Single : A2055 HIS : no HD1:sc= -4.37! K(o=-4.4!,f=-1.8) USER MOD Single : A2063 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.9!) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 78:sc= 0.0233 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.555 K(o=-0.56,f=-0.047) USER MOD Single : A2072 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.3) USER MOD Single : A2074 TYR OH : rot 180:sc=-0.00225 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2085 CYS SG : rot 107:sc= -2.06! USER MOD Single : A2087 LYS NZ :NH3+ 160:sc= -0.85 (180deg=-1.34!) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl 137:sc= -1.58 (180deg=-6.53!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.1!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.64) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc=-0.00766 X(o=-0.0077,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -16.076 -2.314 6.424 1.00 51.43 N ATOM 2 CA MET A2014 -16.315 -2.203 4.996 1.00 43.12 C ATOM 3 C MET A2014 -15.192 -2.871 4.200 1.00 61.11 C ATOM 4 O MET A2014 -14.089 -2.336 4.104 1.00 62.34 O ATOM 5 CB MET A2014 -16.407 -0.727 4.607 1.00 72.23 C ATOM 6 CG MET A2014 -17.773 -0.146 4.982 1.00 3.15 C ATOM 7 SD MET A2014 -18.936 -0.415 3.656 1.00 20.21 S ATOM 8 CE MET A2014 -20.323 -1.049 4.585 1.00 54.52 C ATOM 0 HA MET A2014 -17.252 -2.708 4.763 1.00 43.12 H new ATOM 0 HB2 MET A2014 -15.619 -0.165 5.108 1.00 72.23 H new ATOM 0 HB3 MET A2014 -16.243 -0.619 3.535 1.00 72.23 H new ATOM 0 HG2 MET A2014 -18.137 -0.614 5.897 1.00 3.15 H new ATOM 0 HG3 MET A2014 -17.680 0.921 5.184 1.00 3.15 H new ATOM 0 HE1 MET A2014 -21.145 -1.271 3.905 1.00 54.52 H new ATOM 0 HE2 MET A2014 -20.026 -1.960 5.106 1.00 54.52 H new ATOM 0 HE3 MET A2014 -20.645 -0.304 5.312 1.00 54.52 H new ATOM 18 N GLU A2015 -15.513 -4.032 3.646 1.00 13.51 N ATOM 19 CA GLU A2015 -14.545 -4.781 2.861 1.00 73.32 C ATOM 20 C GLU A2015 -15.014 -4.892 1.409 1.00 5.34 C ATOM 21 O GLU A2015 -14.241 -5.277 0.533 1.00 55.24 O ATOM 22 CB GLU A2015 -14.299 -6.164 3.468 1.00 50.14 C ATOM 23 CG GLU A2015 -13.193 -6.111 4.523 1.00 52.53 C ATOM 24 CD GLU A2015 -13.146 -7.409 5.331 1.00 31.03 C ATOM 25 OE1 GLU A2015 -14.068 -8.232 5.237 1.00 42.03 O ATOM 26 OE2 GLU A2015 -12.104 -7.548 6.079 1.00 3.33 O ATOM 0 H GLU A2015 -16.430 -4.472 3.725 1.00 13.51 H new ATOM 0 HA GLU A2015 -13.597 -4.242 2.876 1.00 73.32 H new ATOM 0 HB2 GLU A2015 -15.219 -6.536 3.919 1.00 50.14 H new ATOM 0 HB3 GLU A2015 -14.023 -6.866 2.682 1.00 50.14 H new ATOM 0 HG2 GLU A2015 -12.231 -5.944 4.039 1.00 52.53 H new ATOM 0 HG3 GLU A2015 -13.363 -5.268 5.192 1.00 52.53 H new ATOM 34 N LEU A2016 -16.277 -4.550 1.201 1.00 44.10 N ATOM 35 CA LEU A2016 -16.857 -4.607 -0.130 1.00 64.35 C ATOM 36 C LEU A2016 -16.985 -6.069 -0.563 1.00 70.51 C ATOM 37 O LEU A2016 -17.809 -6.809 -0.027 1.00 12.32 O ATOM 38 CB LEU A2016 -16.051 -3.746 -1.106 1.00 33.41 C ATOM 39 CG LEU A2016 -16.294 -2.237 -1.026 1.00 23.21 C ATOM 40 CD1 LEU A2016 -17.679 -1.877 -1.567 1.00 70.32 C ATOM 41 CD2 LEU A2016 -16.084 -1.722 0.399 1.00 40.13 C ATOM 0 H LEU A2016 -16.914 -4.233 1.931 1.00 44.10 H new ATOM 0 HA LEU A2016 -17.862 -4.185 -0.125 1.00 64.35 H new ATOM 0 HB2 LEU A2016 -14.991 -3.933 -0.935 1.00 33.41 H new ATOM 0 HB3 LEU A2016 -16.273 -4.077 -2.121 1.00 33.41 H new ATOM 0 HG LEU A2016 -15.560 -1.738 -1.659 1.00 23.21 H new ATOM 0 HD11 LEU A2016 -17.827 -0.799 -1.499 1.00 70.32 H new ATOM 0 HD12 LEU A2016 -17.755 -2.189 -2.609 1.00 70.32 H new ATOM 0 HD13 LEU A2016 -18.443 -2.386 -0.979 1.00 70.32 H new ATOM 0 HD21 LEU A2016 -16.263 -0.647 0.428 1.00 40.13 H new ATOM 0 HD22 LEU A2016 -16.778 -2.224 1.073 1.00 40.13 H new ATOM 0 HD23 LEU A2016 -15.061 -1.928 0.713 1.00 40.13 H new ATOM 53 N ILE A2017 -16.159 -6.442 -1.530 1.00 50.33 N ATOM 54 CA ILE A2017 -16.170 -7.801 -2.040 1.00 3.25 C ATOM 55 C ILE A2017 -14.733 -8.243 -2.333 1.00 31.52 C ATOM 56 O ILE A2017 -14.080 -7.696 -3.219 1.00 42.21 O ATOM 57 CB ILE A2017 -17.104 -7.913 -3.246 1.00 32.32 C ATOM 58 CG1 ILE A2017 -18.332 -7.017 -3.074 1.00 14.04 C ATOM 59 CG2 ILE A2017 -17.492 -9.371 -3.505 1.00 60.45 C ATOM 60 CD1 ILE A2017 -18.044 -5.594 -3.559 1.00 32.44 C ATOM 0 H ILE A2017 -15.478 -5.826 -1.973 1.00 50.33 H new ATOM 0 HA ILE A2017 -16.569 -8.485 -1.291 1.00 3.25 H new ATOM 0 HB ILE A2017 -16.568 -7.560 -4.127 1.00 32.32 H new ATOM 0 HG12 ILE A2017 -19.171 -7.433 -3.632 1.00 14.04 H new ATOM 0 HG13 ILE A2017 -18.627 -6.995 -2.025 1.00 14.04 H new ATOM 0 HG21 ILE A2017 -18.156 -9.423 -4.368 1.00 60.45 H new ATOM 0 HG22 ILE A2017 -16.594 -9.957 -3.703 1.00 60.45 H new ATOM 0 HG23 ILE A2017 -18.002 -9.773 -2.629 1.00 60.45 H new ATOM 0 HD11 ILE A2017 -18.933 -4.977 -3.426 1.00 32.44 H new ATOM 0 HD12 ILE A2017 -17.220 -5.173 -2.982 1.00 32.44 H new ATOM 0 HD13 ILE A2017 -17.773 -5.617 -4.615 1.00 32.44 H new ATOM 72 N ARG A2018 -14.284 -9.229 -1.570 1.00 23.44 N ATOM 73 CA ARG A2018 -12.940 -9.751 -1.736 1.00 22.45 C ATOM 74 C ARG A2018 -12.675 -10.870 -0.726 1.00 74.43 C ATOM 75 O ARG A2018 -13.205 -10.846 0.385 1.00 43.34 O ATOM 76 CB ARG A2018 -11.895 -8.649 -1.550 1.00 44.12 C ATOM 77 CG ARG A2018 -10.514 -9.118 -2.017 1.00 13.34 C ATOM 78 CD ARG A2018 -9.992 -8.237 -3.152 1.00 50.43 C ATOM 79 NE ARG A2018 -10.441 -8.775 -4.456 1.00 52.11 N ATOM 80 CZ ARG A2018 -9.868 -9.827 -5.080 1.00 14.22 C ATOM 81 NH1 ARG A2018 -8.818 -10.464 -4.521 1.00 24.10 N ATOM 82 NH2 ARG A2018 -10.352 -10.222 -6.242 1.00 3.31 N ATOM 0 H ARG A2018 -14.829 -9.680 -0.835 1.00 23.44 H new ATOM 0 HA ARG A2018 -12.861 -10.145 -2.749 1.00 22.45 H new ATOM 0 HB2 ARG A2018 -12.191 -7.763 -2.112 1.00 44.12 H new ATOM 0 HB3 ARG A2018 -11.849 -8.360 -0.500 1.00 44.12 H new ATOM 0 HG2 ARG A2018 -9.815 -9.092 -1.181 1.00 13.34 H new ATOM 0 HG3 ARG A2018 -10.572 -10.153 -2.352 1.00 13.34 H new ATOM 0 HD2 ARG A2018 -10.353 -7.216 -3.027 1.00 50.43 H new ATOM 0 HD3 ARG A2018 -8.903 -8.197 -3.121 1.00 50.43 H new ATOM 0 HE ARG A2018 -11.233 -8.323 -4.912 1.00 52.11 H new ATOM 0 HH11 ARG A2018 -8.452 -10.152 -3.622 1.00 24.10 H new ATOM 0 HH12 ARG A2018 -8.390 -11.258 -4.998 1.00 24.10 H new ATOM 0 HH21 ARG A2018 -11.147 -9.735 -6.656 1.00 3.31 H new ATOM 0 HH22 ARG A2018 -9.931 -11.015 -6.727 1.00 3.31 H new ATOM 94 N VAL A2019 -11.857 -11.822 -1.148 1.00 4.34 N ATOM 95 CA VAL A2019 -11.517 -12.948 -0.294 1.00 15.22 C ATOM 96 C VAL A2019 -11.346 -12.456 1.145 1.00 11.25 C ATOM 97 O VAL A2019 -10.842 -11.358 1.375 1.00 11.31 O ATOM 98 CB VAL A2019 -10.273 -13.658 -0.835 1.00 22.35 C ATOM 99 CG1 VAL A2019 -9.772 -14.714 0.154 1.00 62.23 C ATOM 100 CG2 VAL A2019 -10.550 -14.278 -2.206 1.00 32.35 C ATOM 0 H VAL A2019 -11.420 -11.838 -2.069 1.00 4.34 H new ATOM 0 HA VAL A2019 -12.321 -13.684 -0.293 1.00 15.22 H new ATOM 0 HB VAL A2019 -9.487 -12.913 -0.957 1.00 22.35 H new ATOM 0 HG11 VAL A2019 -8.888 -15.204 -0.254 1.00 62.23 H new ATOM 0 HG12 VAL A2019 -9.518 -14.235 1.100 1.00 62.23 H new ATOM 0 HG13 VAL A2019 -10.553 -15.456 0.321 1.00 62.23 H new ATOM 0 HG21 VAL A2019 -9.651 -14.776 -2.568 1.00 32.35 H new ATOM 0 HG22 VAL A2019 -11.358 -15.005 -2.120 1.00 32.35 H new ATOM 0 HG23 VAL A2019 -10.839 -13.495 -2.908 1.00 32.35 H new ATOM 110 N PRO A2020 -11.786 -13.317 2.102 1.00 14.54 N ATOM 111 CA PRO A2020 -11.686 -12.984 3.512 1.00 74.32 C ATOM 112 C PRO A2020 -10.246 -13.116 4.008 1.00 44.14 C ATOM 113 O PRO A2020 -9.475 -12.158 3.953 1.00 51.10 O ATOM 114 CB PRO A2020 -12.645 -13.933 4.211 1.00 11.34 C ATOM 115 CG PRO A2020 -12.894 -15.068 3.231 1.00 42.52 C ATOM 116 CD PRO A2020 -12.389 -14.626 1.868 1.00 43.30 C ATOM 0 HA PRO A2020 -11.953 -11.947 3.718 1.00 74.32 H new ATOM 0 HB2 PRO A2020 -12.217 -14.307 5.141 1.00 11.34 H new ATOM 0 HB3 PRO A2020 -13.576 -13.428 4.469 1.00 11.34 H new ATOM 0 HG2 PRO A2020 -12.378 -15.972 3.555 1.00 42.52 H new ATOM 0 HG3 PRO A2020 -13.957 -15.307 3.185 1.00 42.52 H new ATOM 0 HD2 PRO A2020 -11.661 -15.331 1.468 1.00 43.30 H new ATOM 0 HD3 PRO A2020 -13.203 -14.564 1.145 1.00 43.30 H new ATOM 124 N ILE A2021 -9.923 -14.313 4.479 1.00 71.15 N ATOM 125 CA ILE A2021 -8.588 -14.583 4.984 1.00 71.45 C ATOM 126 C ILE A2021 -7.579 -14.441 3.844 1.00 43.11 C ATOM 127 O ILE A2021 -7.171 -15.436 3.243 1.00 12.40 O ATOM 128 CB ILE A2021 -8.545 -15.945 5.678 1.00 13.14 C ATOM 129 CG1 ILE A2021 -8.990 -17.059 4.730 1.00 0.41 C ATOM 130 CG2 ILE A2021 -9.366 -15.930 6.969 1.00 20.02 C ATOM 131 CD1 ILE A2021 -7.784 -17.836 4.193 1.00 4.44 C ATOM 0 H ILE A2021 -10.563 -15.106 4.521 1.00 71.15 H new ATOM 0 HA ILE A2021 -8.313 -13.854 5.746 1.00 71.45 H new ATOM 0 HB ILE A2021 -7.512 -16.153 5.956 1.00 13.14 H new ATOM 0 HG12 ILE A2021 -9.662 -17.739 5.253 1.00 0.41 H new ATOM 0 HG13 ILE A2021 -9.551 -16.632 3.899 1.00 0.41 H new ATOM 0 HG21 ILE A2021 -9.318 -16.911 7.442 1.00 20.02 H new ATOM 0 HG22 ILE A2021 -8.962 -15.179 7.648 1.00 20.02 H new ATOM 0 HG23 ILE A2021 -10.404 -15.689 6.738 1.00 20.02 H new ATOM 0 HD11 ILE A2021 -8.128 -18.623 3.521 1.00 4.44 H new ATOM 0 HD12 ILE A2021 -7.126 -17.157 3.650 1.00 4.44 H new ATOM 0 HD13 ILE A2021 -7.239 -18.282 5.025 1.00 4.44 H new ATOM 143 N LEU A2022 -7.204 -13.198 3.578 1.00 24.25 N ATOM 144 CA LEU A2022 -6.249 -12.915 2.520 1.00 42.15 C ATOM 145 C LEU A2022 -5.621 -11.541 2.761 1.00 1.43 C ATOM 146 O LEU A2022 -6.219 -10.687 3.412 1.00 2.23 O ATOM 147 CB LEU A2022 -6.913 -13.056 1.147 1.00 12.51 C ATOM 148 CG LEU A2022 -6.195 -13.959 0.144 1.00 5.42 C ATOM 149 CD1 LEU A2022 -6.163 -15.408 0.636 1.00 22.31 C ATOM 150 CD2 LEU A2022 -6.819 -13.841 -1.247 1.00 71.02 C ATOM 0 H LEU A2022 -7.544 -12.376 4.077 1.00 24.25 H new ATOM 0 HA LEU A2022 -5.438 -13.644 2.533 1.00 42.15 H new ATOM 0 HB2 LEU A2022 -7.923 -13.439 1.292 1.00 12.51 H new ATOM 0 HB3 LEU A2022 -7.008 -12.063 0.708 1.00 12.51 H new ATOM 0 HG LEU A2022 -5.161 -13.623 0.062 1.00 5.42 H new ATOM 0 HD11 LEU A2022 -5.647 -16.029 -0.096 1.00 22.31 H new ATOM 0 HD12 LEU A2022 -5.637 -15.457 1.589 1.00 22.31 H new ATOM 0 HD13 LEU A2022 -7.183 -15.771 0.765 1.00 22.31 H new ATOM 0 HD21 LEU A2022 -6.289 -14.494 -1.940 1.00 71.02 H new ATOM 0 HD22 LEU A2022 -7.868 -14.135 -1.202 1.00 71.02 H new ATOM 0 HD23 LEU A2022 -6.746 -12.810 -1.592 1.00 71.02 H new ATOM 162 N TRP A2023 -4.422 -11.372 2.221 1.00 11.13 N ATOM 163 CA TRP A2023 -3.706 -10.117 2.370 1.00 12.21 C ATOM 164 C TRP A2023 -4.300 -9.112 1.381 1.00 64.10 C ATOM 165 O TRP A2023 -4.657 -7.998 1.761 1.00 71.23 O ATOM 166 CB TRP A2023 -2.200 -10.319 2.184 1.00 22.42 C ATOM 167 CG TRP A2023 -1.439 -10.560 3.489 1.00 4.13 C ATOM 168 CD1 TRP A2023 -1.938 -10.903 4.684 1.00 51.40 C ATOM 169 CD2 TRP A2023 -0.013 -10.459 3.683 1.00 1.12 C ATOM 170 NE1 TRP A2023 -0.942 -11.032 5.631 1.00 51.33 N ATOM 171 CE2 TRP A2023 0.266 -10.754 5.003 1.00 4.33 C ATOM 172 CE3 TRP A2023 1.009 -10.133 2.773 1.00 64.03 C ATOM 173 CZ2 TRP A2023 1.564 -10.751 5.531 1.00 72.43 C ATOM 174 CZ3 TRP A2023 2.298 -10.133 3.317 1.00 5.04 C ATOM 175 CH2 TRP A2023 2.597 -10.427 4.643 1.00 74.41 C ATOM 0 H TRP A2023 -3.929 -12.083 1.680 1.00 11.13 H new ATOM 0 HA TRP A2023 -3.825 -9.724 3.380 1.00 12.21 H new ATOM 0 HB2 TRP A2023 -2.037 -11.167 1.518 1.00 22.42 H new ATOM 0 HB3 TRP A2023 -1.784 -9.441 1.690 1.00 22.42 H new ATOM 0 HD1 TRP A2023 -2.988 -11.059 4.882 1.00 51.40 H new ATOM 0 HE1 TRP A2023 -1.069 -11.285 6.611 1.00 51.33 H new ATOM 0 HE3 TRP A2023 0.814 -9.901 1.736 1.00 64.03 H new ATOM 0 HZ2 TRP A2023 1.757 -10.986 6.567 1.00 72.43 H new ATOM 0 HZ3 TRP A2023 3.119 -9.887 2.660 1.00 5.04 H new ATOM 0 HH2 TRP A2023 3.621 -10.406 4.986 1.00 74.41 H new ATOM 186 N HIS A2024 -4.389 -9.544 0.131 1.00 54.23 N ATOM 187 CA HIS A2024 -4.937 -8.696 -0.915 1.00 44.34 C ATOM 188 C HIS A2024 -6.240 -8.060 -0.432 1.00 61.30 C ATOM 189 O HIS A2024 -6.659 -7.027 -0.952 1.00 74.31 O ATOM 190 CB HIS A2024 -5.105 -9.483 -2.217 1.00 74.40 C ATOM 191 CG HIS A2024 -4.081 -10.574 -2.414 1.00 20.44 C ATOM 192 ND1 HIS A2024 -4.414 -11.842 -2.857 1.00 22.04 N ATOM 193 CD2 HIS A2024 -2.731 -10.574 -2.223 1.00 12.43 C ATOM 194 CE1 HIS A2024 -3.305 -12.564 -2.926 1.00 10.35 C ATOM 195 NE2 HIS A2024 -2.264 -11.777 -2.532 1.00 74.21 N ATOM 0 H HIS A2024 -4.091 -10.469 -0.181 1.00 54.23 H new ATOM 0 HA HIS A2024 -4.241 -7.886 -1.135 1.00 44.34 H new ATOM 0 HB2 HIS A2024 -6.101 -9.926 -2.235 1.00 74.40 H new ATOM 0 HB3 HIS A2024 -5.049 -8.791 -3.057 1.00 74.40 H new ATOM 0 HD2 HIS A2024 -2.142 -9.737 -1.879 1.00 12.43 H new ATOM 0 HE1 HIS A2024 -3.238 -13.595 -3.239 1.00 10.35 H new ATOM 0 HE2 HIS A2024 -1.287 -12.065 -2.483 1.00 74.21 H new ATOM 204 N GLU A2025 -6.844 -8.702 0.556 1.00 74.15 N ATOM 205 CA GLU A2025 -8.092 -8.211 1.115 1.00 32.52 C ATOM 206 C GLU A2025 -7.856 -6.906 1.876 1.00 11.42 C ATOM 207 O GLU A2025 -8.707 -6.017 1.869 1.00 63.30 O ATOM 208 CB GLU A2025 -8.739 -9.264 2.018 1.00 14.21 C ATOM 209 CG GLU A2025 -9.901 -8.664 2.813 1.00 53.00 C ATOM 210 CD GLU A2025 -10.984 -8.123 1.877 1.00 23.43 C ATOM 211 OE1 GLU A2025 -10.694 -7.281 1.015 1.00 54.12 O ATOM 212 OE2 GLU A2025 -12.162 -8.611 2.068 1.00 64.22 O ATOM 0 H GLU A2025 -6.493 -9.558 0.984 1.00 74.15 H new ATOM 0 HA GLU A2025 -8.781 -8.010 0.295 1.00 32.52 H new ATOM 0 HB2 GLU A2025 -9.099 -10.096 1.413 1.00 14.21 H new ATOM 0 HB3 GLU A2025 -7.994 -9.668 2.704 1.00 14.21 H new ATOM 0 HG2 GLU A2025 -10.328 -9.423 3.469 1.00 53.00 H new ATOM 0 HG3 GLU A2025 -9.533 -7.861 3.452 1.00 53.00 H new ATOM 220 N MET A2026 -6.698 -6.831 2.513 1.00 61.14 N ATOM 221 CA MET A2026 -6.339 -5.648 3.276 1.00 14.32 C ATOM 222 C MET A2026 -5.836 -4.533 2.358 1.00 53.53 C ATOM 223 O MET A2026 -6.048 -3.353 2.633 1.00 13.01 O ATOM 224 CB MET A2026 -5.249 -6.006 4.291 1.00 34.22 C ATOM 225 CG MET A2026 -3.867 -5.989 3.637 1.00 5.45 C ATOM 226 SD MET A2026 -3.149 -4.360 3.763 1.00 34.14 S ATOM 227 CE MET A2026 -1.416 -4.788 3.797 1.00 53.44 C ATOM 0 H MET A2026 -5.995 -7.570 2.517 1.00 61.14 H new ATOM 0 HA MET A2026 -7.228 -5.290 3.795 1.00 14.32 H new ATOM 0 HB2 MET A2026 -5.272 -5.299 5.120 1.00 34.22 H new ATOM 0 HB3 MET A2026 -5.446 -6.993 4.709 1.00 34.22 H new ATOM 0 HG2 MET A2026 -3.218 -6.719 4.121 1.00 5.45 H new ATOM 0 HG3 MET A2026 -3.948 -6.279 2.589 1.00 5.45 H new ATOM 0 HE1 MET A2026 -0.838 -4.006 3.305 1.00 53.44 H new ATOM 0 HE2 MET A2026 -1.086 -4.887 4.831 1.00 53.44 H new ATOM 0 HE3 MET A2026 -1.264 -5.733 3.276 1.00 53.44 H new ATOM 237 N TRP A2027 -5.178 -4.947 1.284 1.00 52.10 N ATOM 238 CA TRP A2027 -4.643 -3.998 0.323 1.00 22.02 C ATOM 239 C TRP A2027 -5.822 -3.318 -0.377 1.00 44.20 C ATOM 240 O TRP A2027 -5.852 -2.096 -0.504 1.00 32.21 O ATOM 241 CB TRP A2027 -3.685 -4.686 -0.652 1.00 71.22 C ATOM 242 CG TRP A2027 -2.387 -5.176 -0.007 1.00 1.01 C ATOM 243 CD1 TRP A2027 -2.206 -6.252 0.772 1.00 71.45 C ATOM 244 CD2 TRP A2027 -1.086 -4.560 -0.117 1.00 63.32 C ATOM 245 NE1 TRP A2027 -0.890 -6.373 1.170 1.00 62.22 N ATOM 246 CE2 TRP A2027 -0.187 -5.311 0.612 1.00 22.31 C ATOM 247 CE3 TRP A2027 -0.682 -3.405 -0.810 1.00 64.21 C ATOM 248 CZ2 TRP A2027 1.171 -4.992 0.719 1.00 24.35 C ATOM 249 CZ3 TRP A2027 0.679 -3.098 -0.693 1.00 24.30 C ATOM 250 CH2 TRP A2027 1.596 -3.846 0.037 1.00 50.14 C ATOM 0 H TRP A2027 -5.004 -5.926 1.059 1.00 52.10 H new ATOM 0 HA TRP A2027 -4.049 -3.234 0.825 1.00 22.02 H new ATOM 0 HB2 TRP A2027 -4.195 -5.534 -1.108 1.00 71.22 H new ATOM 0 HB3 TRP A2027 -3.440 -3.991 -1.456 1.00 71.22 H new ATOM 0 HD1 TRP A2027 -2.991 -6.938 1.053 1.00 71.45 H new ATOM 0 HE1 TRP A2027 -0.504 -7.107 1.764 1.00 62.22 H new ATOM 0 HE3 TRP A2027 -1.368 -2.802 -1.387 1.00 64.21 H new ATOM 0 HZ2 TRP A2027 1.854 -5.597 1.296 1.00 24.35 H new ATOM 0 HZ3 TRP A2027 1.042 -2.219 -1.205 1.00 24.30 H new ATOM 0 HH2 TRP A2027 2.632 -3.544 0.078 1.00 50.14 H new ATOM 261 N HIS A2028 -6.764 -4.141 -0.814 1.00 40.32 N ATOM 262 CA HIS A2028 -7.941 -3.635 -1.498 1.00 33.13 C ATOM 263 C HIS A2028 -8.769 -2.785 -0.533 1.00 33.15 C ATOM 264 O HIS A2028 -9.027 -1.611 -0.796 1.00 12.22 O ATOM 265 CB HIS A2028 -8.744 -4.781 -2.117 1.00 40.40 C ATOM 266 CG HIS A2028 -8.801 -4.744 -3.625 1.00 63.32 C ATOM 267 ND1 HIS A2028 -9.732 -3.994 -4.323 1.00 40.10 N ATOM 268 CD2 HIS A2028 -8.034 -5.373 -4.563 1.00 14.33 C ATOM 269 CE1 HIS A2028 -9.527 -4.171 -5.619 1.00 45.45 C ATOM 270 NE2 HIS A2028 -8.473 -5.027 -5.765 1.00 43.22 N ATOM 0 H HIS A2028 -6.736 -5.155 -0.707 1.00 40.32 H new ATOM 0 HA HIS A2028 -7.638 -2.993 -2.325 1.00 33.13 H new ATOM 0 HB2 HIS A2028 -8.307 -5.729 -1.803 1.00 40.40 H new ATOM 0 HB3 HIS A2028 -9.760 -4.753 -1.724 1.00 40.40 H new ATOM 0 HD1 HIS A2028 -10.454 -3.405 -3.909 1.00 40.10 H new ATOM 0 HD2 HIS A2028 -7.209 -6.040 -4.360 1.00 14.33 H new ATOM 0 HE1 HIS A2028 -10.093 -3.718 -6.419 1.00 45.45 H new ATOM 279 N GLU A2029 -9.166 -3.410 0.567 1.00 41.22 N ATOM 280 CA GLU A2029 -9.961 -2.726 1.572 1.00 13.51 C ATOM 281 C GLU A2029 -9.188 -1.533 2.138 1.00 40.30 C ATOM 282 O GLU A2029 -9.778 -0.504 2.464 1.00 11.11 O ATOM 283 CB GLU A2029 -10.378 -3.686 2.688 1.00 40.34 C ATOM 284 CG GLU A2029 -9.263 -3.843 3.724 1.00 52.32 C ATOM 285 CD GLU A2029 -9.405 -2.806 4.841 1.00 3.24 C ATOM 286 OE1 GLU A2029 -10.016 -1.749 4.632 1.00 53.03 O ATOM 287 OE2 GLU A2029 -8.851 -3.132 5.961 1.00 62.25 O ATOM 0 H GLU A2029 -8.951 -4.383 0.784 1.00 41.22 H new ATOM 0 HA GLU A2029 -10.869 -2.355 1.097 1.00 13.51 H new ATOM 0 HB2 GLU A2029 -11.280 -3.314 3.174 1.00 40.34 H new ATOM 0 HB3 GLU A2029 -10.623 -4.659 2.262 1.00 40.34 H new ATOM 0 HG2 GLU A2029 -9.294 -4.847 4.148 1.00 52.32 H new ATOM 0 HG3 GLU A2029 -8.293 -3.731 3.240 1.00 52.32 H new ATOM 295 N GLY A2030 -7.878 -1.708 2.233 1.00 55.40 N ATOM 296 CA GLY A2030 -7.018 -0.659 2.754 1.00 24.00 C ATOM 297 C GLY A2030 -7.164 0.626 1.936 1.00 64.41 C ATOM 298 O GLY A2030 -7.596 1.652 2.457 1.00 1.12 O ATOM 0 H GLY A2030 -7.391 -2.561 1.958 1.00 55.40 H new ATOM 0 HA2 GLY A2030 -7.269 -0.462 3.796 1.00 24.00 H new ATOM 0 HA3 GLY A2030 -5.980 -0.991 2.734 1.00 24.00 H new ATOM 302 N LEU A2031 -6.798 0.524 0.666 1.00 54.54 N ATOM 303 CA LEU A2031 -6.884 1.666 -0.229 1.00 1.21 C ATOM 304 C LEU A2031 -8.337 2.135 -0.315 1.00 33.44 C ATOM 305 O LEU A2031 -8.602 3.324 -0.484 1.00 42.13 O ATOM 306 CB LEU A2031 -6.266 1.329 -1.588 1.00 44.32 C ATOM 307 CG LEU A2031 -4.866 0.715 -1.554 1.00 23.42 C ATOM 308 CD1 LEU A2031 -4.112 0.993 -2.857 1.00 33.11 C ATOM 309 CD2 LEU A2031 -4.086 1.193 -0.328 1.00 53.53 C ATOM 0 H LEU A2031 -6.442 -0.330 0.236 1.00 54.54 H new ATOM 0 HA LEU A2031 -6.303 2.500 0.163 1.00 1.21 H new ATOM 0 HB2 LEU A2031 -6.931 0.639 -2.106 1.00 44.32 H new ATOM 0 HB3 LEU A2031 -6.227 2.241 -2.183 1.00 44.32 H new ATOM 0 HG LEU A2031 -4.971 -0.366 -1.467 1.00 23.42 H new ATOM 0 HD11 LEU A2031 -3.120 0.545 -2.806 1.00 33.11 H new ATOM 0 HD12 LEU A2031 -4.661 0.563 -3.694 1.00 33.11 H new ATOM 0 HD13 LEU A2031 -4.017 2.069 -3.000 1.00 33.11 H new ATOM 0 HD21 LEU A2031 -3.094 0.741 -0.329 1.00 53.53 H new ATOM 0 HD22 LEU A2031 -3.990 2.278 -0.358 1.00 53.53 H new ATOM 0 HD23 LEU A2031 -4.617 0.901 0.578 1.00 53.53 H new ATOM 321 N GLU A2032 -9.243 1.175 -0.193 1.00 33.42 N ATOM 322 CA GLU A2032 -10.664 1.474 -0.253 1.00 42.43 C ATOM 323 C GLU A2032 -11.022 2.557 0.765 1.00 12.13 C ATOM 324 O GLU A2032 -11.712 3.521 0.436 1.00 14.44 O ATOM 325 CB GLU A2032 -11.500 0.212 -0.030 1.00 53.31 C ATOM 326 CG GLU A2032 -11.807 -0.485 -1.358 1.00 14.41 C ATOM 327 CD GLU A2032 -12.541 -1.807 -1.126 1.00 22.14 C ATOM 328 OE1 GLU A2032 -12.817 -2.168 0.027 1.00 2.54 O ATOM 329 OE2 GLU A2032 -12.827 -2.467 -2.197 1.00 52.22 O ATOM 0 H GLU A2032 -9.020 0.190 -0.053 1.00 33.42 H new ATOM 0 HA GLU A2032 -10.894 1.850 -1.250 1.00 42.43 H new ATOM 0 HB2 GLU A2032 -10.964 -0.472 0.628 1.00 53.31 H new ATOM 0 HB3 GLU A2032 -12.432 0.473 0.472 1.00 53.31 H new ATOM 0 HG2 GLU A2032 -12.416 0.168 -1.983 1.00 14.41 H new ATOM 0 HG3 GLU A2032 -10.879 -0.670 -1.899 1.00 14.41 H new ATOM 337 N GLU A2033 -10.538 2.363 1.983 1.00 14.43 N ATOM 338 CA GLU A2033 -10.798 3.311 3.052 1.00 20.01 C ATOM 339 C GLU A2033 -9.890 4.534 2.909 1.00 13.54 C ATOM 340 O GLU A2033 -10.363 5.670 2.942 1.00 52.52 O ATOM 341 CB GLU A2033 -10.623 2.654 4.423 1.00 14.53 C ATOM 342 CG GLU A2033 -11.516 3.322 5.470 1.00 43.55 C ATOM 343 CD GLU A2033 -11.632 4.826 5.213 1.00 33.41 C ATOM 344 OE1 GLU A2033 -10.870 5.614 5.793 1.00 72.22 O ATOM 345 OE2 GLU A2033 -12.552 5.165 4.376 1.00 41.13 O ATOM 0 H GLU A2033 -9.967 1.562 2.253 1.00 14.43 H new ATOM 0 HA GLU A2033 -11.834 3.641 2.975 1.00 20.01 H new ATOM 0 HB2 GLU A2033 -10.866 1.594 4.356 1.00 14.53 H new ATOM 0 HB3 GLU A2033 -9.580 2.723 4.732 1.00 14.53 H new ATOM 0 HG2 GLU A2033 -12.507 2.869 5.450 1.00 43.55 H new ATOM 0 HG3 GLU A2033 -11.106 3.150 6.465 1.00 43.55 H new ATOM 353 N ALA A2034 -8.603 4.262 2.757 1.00 64.33 N ATOM 354 CA ALA A2034 -7.624 5.326 2.609 1.00 21.43 C ATOM 355 C ALA A2034 -8.050 6.248 1.465 1.00 50.12 C ATOM 356 O ALA A2034 -8.024 7.469 1.606 1.00 62.24 O ATOM 357 CB ALA A2034 -6.239 4.717 2.385 1.00 63.22 C ATOM 0 H ALA A2034 -8.214 3.319 2.733 1.00 64.33 H new ATOM 0 HA ALA A2034 -7.571 5.929 3.515 1.00 21.43 H new ATOM 0 HB1 ALA A2034 -5.504 5.515 2.274 1.00 63.22 H new ATOM 0 HB2 ALA A2034 -5.973 4.095 3.239 1.00 63.22 H new ATOM 0 HB3 ALA A2034 -6.252 4.107 1.482 1.00 63.22 H new ATOM 363 N SER A2035 -8.428 5.627 0.358 1.00 44.14 N ATOM 364 CA SER A2035 -8.857 6.377 -0.812 1.00 42.35 C ATOM 365 C SER A2035 -10.177 7.092 -0.519 1.00 11.14 C ATOM 366 O SER A2035 -10.345 8.261 -0.861 1.00 65.14 O ATOM 367 CB SER A2035 -9.007 5.464 -2.028 1.00 32.40 C ATOM 368 OG SER A2035 -9.487 6.168 -3.171 1.00 62.32 O ATOM 0 H SER A2035 -8.447 4.613 0.245 1.00 44.14 H new ATOM 0 HA SER A2035 -8.092 7.119 -1.042 1.00 42.35 H new ATOM 0 HB2 SER A2035 -8.044 5.010 -2.261 1.00 32.40 H new ATOM 0 HB3 SER A2035 -9.693 4.652 -1.788 1.00 32.40 H new ATOM 0 HG SER A2035 -9.059 7.048 -3.217 1.00 62.32 H new ATOM 374 N ARG A2036 -11.083 6.360 0.114 1.00 22.31 N ATOM 375 CA ARG A2036 -12.383 6.909 0.458 1.00 23.51 C ATOM 376 C ARG A2036 -12.220 8.198 1.266 1.00 40.42 C ATOM 377 O ARG A2036 -12.800 9.227 0.923 1.00 55.12 O ATOM 378 CB ARG A2036 -13.207 5.908 1.271 1.00 65.11 C ATOM 379 CG ARG A2036 -14.334 5.311 0.426 1.00 43.34 C ATOM 380 CD ARG A2036 -15.309 4.516 1.294 1.00 4.01 C ATOM 381 NE ARG A2036 -16.617 5.205 1.351 1.00 41.11 N ATOM 382 CZ ARG A2036 -17.707 4.713 1.975 1.00 24.31 C ATOM 383 NH1 ARG A2036 -17.655 3.519 2.605 1.00 11.12 N ATOM 384 NH2 ARG A2036 -18.824 5.415 1.962 1.00 34.55 N ATOM 0 H ARG A2036 -10.941 5.390 0.398 1.00 22.31 H new ATOM 0 HA ARG A2036 -12.907 7.124 -0.473 1.00 23.51 H new ATOM 0 HB2 ARG A2036 -12.560 5.110 1.636 1.00 65.11 H new ATOM 0 HB3 ARG A2036 -13.627 6.403 2.146 1.00 65.11 H new ATOM 0 HG2 ARG A2036 -14.868 6.109 -0.089 1.00 43.34 H new ATOM 0 HG3 ARG A2036 -13.913 4.662 -0.342 1.00 43.34 H new ATOM 0 HD2 ARG A2036 -15.435 3.513 0.887 1.00 4.01 H new ATOM 0 HD3 ARG A2036 -14.904 4.404 2.300 1.00 4.01 H new ATOM 0 HE ARG A2036 -16.700 6.110 0.889 1.00 41.11 H new ATOM 0 HH11 ARG A2036 -16.787 2.983 2.611 1.00 11.12 H new ATOM 0 HH12 ARG A2036 -18.483 3.154 3.075 1.00 11.12 H new ATOM 0 HH21 ARG A2036 -18.855 6.316 1.485 1.00 34.55 H new ATOM 0 HH22 ARG A2036 -19.657 5.057 2.429 1.00 34.55 H new ATOM 396 N LEU A2037 -11.423 8.100 2.322 1.00 72.43 N ATOM 397 CA LEU A2037 -11.176 9.246 3.179 1.00 34.23 C ATOM 398 C LEU A2037 -10.321 10.267 2.426 1.00 4.14 C ATOM 399 O LEU A2037 -10.563 11.469 2.513 1.00 14.30 O ATOM 400 CB LEU A2037 -10.567 8.796 4.509 1.00 22.33 C ATOM 401 CG LEU A2037 -9.111 8.330 4.456 1.00 54.33 C ATOM 402 CD1 LEU A2037 -8.151 9.519 4.550 1.00 62.43 C ATOM 403 CD2 LEU A2037 -8.831 7.283 5.537 1.00 41.21 C ATOM 0 H LEU A2037 -10.941 7.246 2.602 1.00 72.43 H new ATOM 0 HA LEU A2037 -12.113 9.741 3.433 1.00 34.23 H new ATOM 0 HB2 LEU A2037 -10.638 9.622 5.216 1.00 22.33 H new ATOM 0 HB3 LEU A2037 -11.174 7.983 4.907 1.00 22.33 H new ATOM 0 HG LEU A2037 -8.940 7.852 3.491 1.00 54.33 H new ATOM 0 HD11 LEU A2037 -7.122 9.160 4.510 1.00 62.43 H new ATOM 0 HD12 LEU A2037 -8.331 10.199 3.717 1.00 62.43 H new ATOM 0 HD13 LEU A2037 -8.315 10.046 5.490 1.00 62.43 H new ATOM 0 HD21 LEU A2037 -7.789 6.968 5.478 1.00 41.21 H new ATOM 0 HD22 LEU A2037 -9.025 7.714 6.519 1.00 41.21 H new ATOM 0 HD23 LEU A2037 -9.480 6.420 5.385 1.00 41.21 H new ATOM 415 N TYR A2038 -9.338 9.749 1.704 1.00 1.21 N ATOM 416 CA TYR A2038 -8.445 10.601 0.935 1.00 34.40 C ATOM 417 C TYR A2038 -9.235 11.524 0.005 1.00 55.02 C ATOM 418 O TYR A2038 -9.069 12.744 0.046 1.00 24.23 O ATOM 419 CB TYR A2038 -7.588 9.658 0.091 1.00 40.42 C ATOM 420 CG TYR A2038 -6.789 10.363 -1.009 1.00 44.40 C ATOM 421 CD1 TYR A2038 -5.714 11.163 -0.676 1.00 51.32 C ATOM 422 CD2 TYR A2038 -7.141 10.196 -2.332 1.00 65.02 C ATOM 423 CE1 TYR A2038 -4.962 11.825 -1.710 1.00 21.41 C ATOM 424 CE2 TYR A2038 -6.390 10.859 -3.367 1.00 64.01 C ATOM 425 CZ TYR A2038 -5.336 11.641 -3.005 1.00 33.25 C ATOM 426 OH TYR A2038 -4.626 12.266 -3.981 1.00 13.25 O ATOM 0 H TYR A2038 -9.140 8.751 1.635 1.00 1.21 H new ATOM 0 HA TYR A2038 -7.848 11.229 1.596 1.00 34.40 H new ATOM 0 HB2 TYR A2038 -6.896 9.128 0.746 1.00 40.42 H new ATOM 0 HB3 TYR A2038 -8.233 8.908 -0.366 1.00 40.42 H new ATOM 0 HD1 TYR A2038 -5.437 11.292 0.360 1.00 51.32 H new ATOM 0 HD2 TYR A2038 -7.980 9.568 -2.592 1.00 65.02 H new ATOM 0 HE1 TYR A2038 -4.119 12.454 -1.463 1.00 21.41 H new ATOM 0 HE2 TYR A2038 -6.657 10.739 -4.407 1.00 64.01 H new ATOM 0 HH TYR A2038 -5.006 12.042 -4.856 1.00 13.25 H new ATOM 436 N PHE A2039 -10.078 10.910 -0.811 1.00 4.35 N ATOM 437 CA PHE A2039 -10.892 11.661 -1.750 1.00 24.43 C ATOM 438 C PHE A2039 -12.075 12.326 -1.040 1.00 62.13 C ATOM 439 O PHE A2039 -12.391 13.484 -1.306 1.00 42.30 O ATOM 440 CB PHE A2039 -11.428 10.661 -2.779 1.00 13.31 C ATOM 441 CG PHE A2039 -10.399 10.238 -3.829 1.00 42.33 C ATOM 442 CD1 PHE A2039 -9.990 11.125 -4.776 1.00 74.04 C ATOM 443 CD2 PHE A2039 -9.893 8.976 -3.817 1.00 33.42 C ATOM 444 CE1 PHE A2039 -9.036 10.735 -5.751 1.00 63.33 C ATOM 445 CE2 PHE A2039 -8.940 8.585 -4.792 1.00 3.21 C ATOM 446 CZ PHE A2039 -8.531 9.472 -5.739 1.00 72.10 C ATOM 0 H PHE A2039 -10.215 9.900 -0.841 1.00 4.35 H new ATOM 0 HA PHE A2039 -10.294 12.444 -2.217 1.00 24.43 H new ATOM 0 HB2 PHE A2039 -11.785 9.773 -2.256 1.00 13.31 H new ATOM 0 HB3 PHE A2039 -12.288 11.101 -3.284 1.00 13.31 H new ATOM 0 HD1 PHE A2039 -10.392 12.127 -4.786 1.00 74.04 H new ATOM 0 HD2 PHE A2039 -10.217 8.271 -3.065 1.00 33.42 H new ATOM 0 HE1 PHE A2039 -8.711 11.440 -6.502 1.00 63.33 H new ATOM 0 HE2 PHE A2039 -8.539 7.582 -4.783 1.00 3.21 H new ATOM 0 HZ PHE A2039 -7.805 9.173 -6.481 1.00 72.10 H new ATOM 456 N GLY A2040 -12.695 11.563 -0.153 1.00 22.24 N ATOM 457 CA GLY A2040 -13.835 12.063 0.598 1.00 64.32 C ATOM 458 C GLY A2040 -13.387 13.037 1.690 1.00 30.13 C ATOM 459 O GLY A2040 -13.614 14.241 1.584 1.00 13.03 O ATOM 0 H GLY A2040 -12.430 10.602 0.063 1.00 22.24 H new ATOM 0 HA2 GLY A2040 -14.529 12.563 -0.078 1.00 64.32 H new ATOM 0 HA3 GLY A2040 -14.373 11.229 1.048 1.00 64.32 H new ATOM 463 N GLU A2041 -12.759 12.478 2.715 1.00 65.24 N ATOM 464 CA GLU A2041 -12.278 13.282 3.824 1.00 32.22 C ATOM 465 C GLU A2041 -11.392 14.419 3.313 1.00 22.23 C ATOM 466 O GLU A2041 -11.435 15.528 3.841 1.00 15.32 O ATOM 467 CB GLU A2041 -11.528 12.418 4.841 1.00 34.34 C ATOM 468 CG GLU A2041 -11.537 13.069 6.225 1.00 15.24 C ATOM 469 CD GLU A2041 -12.940 13.051 6.834 1.00 10.20 C ATOM 470 OE1 GLU A2041 -13.307 12.083 7.515 1.00 20.13 O ATOM 471 OE2 GLU A2041 -13.658 14.090 6.578 1.00 72.53 O ATOM 0 H GLU A2041 -12.573 11.479 2.800 1.00 65.24 H new ATOM 0 HA GLU A2041 -13.139 13.719 4.330 1.00 32.22 H new ATOM 0 HB2 GLU A2041 -11.989 11.432 4.896 1.00 34.34 H new ATOM 0 HB3 GLU A2041 -10.500 12.271 4.511 1.00 34.34 H new ATOM 0 HG2 GLU A2041 -10.845 12.542 6.882 1.00 15.24 H new ATOM 0 HG3 GLU A2041 -11.184 14.097 6.149 1.00 15.24 H new ATOM 479 N ARG A2042 -10.612 14.103 2.291 1.00 42.50 N ATOM 480 CA ARG A2042 -9.716 15.085 1.701 1.00 73.13 C ATOM 481 C ARG A2042 -8.409 15.153 2.493 1.00 54.25 C ATOM 482 O ARG A2042 -7.615 16.075 2.308 1.00 34.23 O ATOM 483 CB ARG A2042 -10.361 16.472 1.675 1.00 63.31 C ATOM 484 CG ARG A2042 -9.697 17.366 0.627 1.00 14.24 C ATOM 485 CD ARG A2042 -9.560 16.636 -0.711 1.00 15.32 C ATOM 486 NE ARG A2042 -9.698 17.596 -1.828 1.00 33.21 N ATOM 487 CZ ARG A2042 -9.653 17.252 -3.131 1.00 62.22 C ATOM 488 NH1 ARG A2042 -9.471 15.963 -3.493 1.00 64.22 N ATOM 489 NH2 ARG A2042 -9.787 18.192 -4.048 1.00 42.03 N ATOM 0 H ARG A2042 -10.581 13.181 1.855 1.00 42.50 H new ATOM 0 HA ARG A2042 -9.509 14.773 0.677 1.00 73.13 H new ATOM 0 HB2 ARG A2042 -11.425 16.378 1.457 1.00 63.31 H new ATOM 0 HB3 ARG A2042 -10.277 16.934 2.658 1.00 63.31 H new ATOM 0 HG2 ARG A2042 -10.286 18.273 0.492 1.00 14.24 H new ATOM 0 HG3 ARG A2042 -8.713 17.675 0.979 1.00 14.24 H new ATOM 0 HD2 ARG A2042 -8.592 16.139 -0.766 1.00 15.32 H new ATOM 0 HD3 ARG A2042 -10.322 15.860 -0.791 1.00 15.32 H new ATOM 0 HE ARG A2042 -9.836 18.580 -1.598 1.00 33.21 H new ATOM 0 HH11 ARG A2042 -9.367 15.243 -2.779 1.00 64.22 H new ATOM 0 HH12 ARG A2042 -9.438 15.710 -4.481 1.00 64.22 H new ATOM 0 HH21 ARG A2042 -9.922 19.163 -3.767 1.00 42.03 H new ATOM 0 HH22 ARG A2042 -9.755 17.947 -5.038 1.00 42.03 H new ATOM 501 N ASN A2043 -8.225 14.166 3.357 1.00 43.32 N ATOM 502 CA ASN A2043 -7.025 14.103 4.176 1.00 25.22 C ATOM 503 C ASN A2043 -6.207 12.873 3.781 1.00 20.11 C ATOM 504 O ASN A2043 -6.735 11.763 3.723 1.00 64.54 O ATOM 505 CB ASN A2043 -7.378 13.978 5.660 1.00 74.22 C ATOM 506 CG ASN A2043 -7.457 15.355 6.322 1.00 73.41 C ATOM 507 OD1 ASN A2043 -6.889 16.329 5.857 1.00 54.42 O ATOM 508 ND2 ASN A2043 -8.192 15.380 7.430 1.00 71.23 N ATOM 0 H ASN A2043 -8.886 13.404 3.508 1.00 43.32 H new ATOM 0 HA ASN A2043 -6.458 15.020 4.015 1.00 25.22 H new ATOM 0 HB2 ASN A2043 -8.333 13.463 5.768 1.00 74.22 H new ATOM 0 HB3 ASN A2043 -6.628 13.370 6.166 1.00 74.22 H new ATOM 0 HD21 ASN A2043 -8.307 16.252 7.946 1.00 71.23 H new ATOM 0 HD22 ASN A2043 -8.640 14.527 7.764 1.00 71.23 H new ATOM 515 N VAL A2044 -4.930 13.110 3.518 1.00 52.24 N ATOM 516 CA VAL A2044 -4.033 12.035 3.129 1.00 72.35 C ATOM 517 C VAL A2044 -3.533 11.316 4.383 1.00 15.52 C ATOM 518 O VAL A2044 -3.205 10.131 4.336 1.00 32.22 O ATOM 519 CB VAL A2044 -2.898 12.588 2.264 1.00 4.00 C ATOM 520 CG1 VAL A2044 -3.443 13.192 0.968 1.00 4.14 C ATOM 521 CG2 VAL A2044 -2.065 13.610 3.038 1.00 74.25 C ATOM 0 H VAL A2044 -4.495 14.031 3.567 1.00 52.24 H new ATOM 0 HA VAL A2044 -4.559 11.300 2.520 1.00 72.35 H new ATOM 0 HB VAL A2044 -2.244 11.758 1.998 1.00 4.00 H new ATOM 0 HG11 VAL A2044 -2.617 13.578 0.371 1.00 4.14 H new ATOM 0 HG12 VAL A2044 -3.971 12.424 0.403 1.00 4.14 H new ATOM 0 HG13 VAL A2044 -4.129 14.005 1.206 1.00 4.14 H new ATOM 0 HG21 VAL A2044 -1.266 13.986 2.399 1.00 74.25 H new ATOM 0 HG22 VAL A2044 -2.702 14.438 3.349 1.00 74.25 H new ATOM 0 HG23 VAL A2044 -1.633 13.135 3.919 1.00 74.25 H new ATOM 531 N LYS A2045 -3.488 12.062 5.477 1.00 74.24 N ATOM 532 CA LYS A2045 -3.034 11.511 6.742 1.00 2.33 C ATOM 533 C LYS A2045 -3.754 10.187 7.005 1.00 20.23 C ATOM 534 O LYS A2045 -3.151 9.236 7.499 1.00 14.12 O ATOM 535 CB LYS A2045 -3.201 12.536 7.865 1.00 50.22 C ATOM 536 CG LYS A2045 -4.553 13.245 7.764 1.00 1.42 C ATOM 537 CD LYS A2045 -4.409 14.604 7.077 1.00 55.44 C ATOM 538 CE LYS A2045 -4.556 15.747 8.085 1.00 43.11 C ATOM 539 NZ LYS A2045 -5.910 15.738 8.683 1.00 65.04 N ATOM 0 H LYS A2045 -3.759 13.045 5.513 1.00 74.24 H new ATOM 0 HA LYS A2045 -1.967 11.291 6.700 1.00 2.33 H new ATOM 0 HB2 LYS A2045 -3.119 12.039 8.831 1.00 50.22 H new ATOM 0 HB3 LYS A2045 -2.397 13.270 7.815 1.00 50.22 H new ATOM 0 HG2 LYS A2045 -5.253 12.623 7.205 1.00 1.42 H new ATOM 0 HG3 LYS A2045 -4.972 13.380 8.761 1.00 1.42 H new ATOM 0 HD2 LYS A2045 -3.436 14.668 6.589 1.00 55.44 H new ATOM 0 HD3 LYS A2045 -5.164 14.703 6.297 1.00 55.44 H new ATOM 0 HE2 LYS A2045 -3.805 15.648 8.869 1.00 43.11 H new ATOM 0 HE3 LYS A2045 -4.376 16.702 7.590 1.00 43.11 H new ATOM 0 HZ1 LYS A2045 -6.470 16.518 8.285 1.00 65.04 H new ATOM 0 HZ2 LYS A2045 -6.377 14.833 8.471 1.00 65.04 H new ATOM 0 HZ3 LYS A2045 -5.835 15.856 9.714 1.00 65.04 H new ATOM 552 N GLY A2046 -5.034 10.170 6.666 1.00 11.23 N ATOM 553 CA GLY A2046 -5.844 8.980 6.858 1.00 24.31 C ATOM 554 C GLY A2046 -5.249 7.784 6.113 1.00 51.53 C ATOM 555 O GLY A2046 -5.011 6.732 6.706 1.00 70.33 O ATOM 0 H GLY A2046 -5.531 10.962 6.259 1.00 11.23 H new ATOM 0 HA2 GLY A2046 -5.914 8.752 7.922 1.00 24.31 H new ATOM 0 HA3 GLY A2046 -6.858 9.165 6.504 1.00 24.31 H new ATOM 559 N MET A2047 -5.025 7.984 4.823 1.00 41.45 N ATOM 560 CA MET A2047 -4.463 6.936 3.987 1.00 13.33 C ATOM 561 C MET A2047 -3.164 6.393 4.590 1.00 53.43 C ATOM 562 O MET A2047 -2.937 5.186 4.600 1.00 33.10 O ATOM 563 CB MET A2047 -4.183 7.491 2.590 1.00 62.44 C ATOM 564 CG MET A2047 -3.179 6.611 1.841 1.00 22.34 C ATOM 565 SD MET A2047 -1.513 7.092 2.262 1.00 70.52 S ATOM 566 CE MET A2047 -1.603 8.843 1.933 1.00 44.53 C ATOM 0 H MET A2047 -5.223 8.858 4.335 1.00 41.45 H new ATOM 0 HA MET A2047 -5.184 6.121 3.925 1.00 13.33 H new ATOM 0 HB2 MET A2047 -5.113 7.549 2.025 1.00 62.44 H new ATOM 0 HB3 MET A2047 -3.794 8.506 2.669 1.00 62.44 H new ATOM 0 HG2 MET A2047 -3.339 5.564 2.096 1.00 22.34 H new ATOM 0 HG3 MET A2047 -3.333 6.704 0.766 1.00 22.34 H new ATOM 0 HE1 MET A2047 -0.755 9.142 1.317 1.00 44.53 H new ATOM 0 HE2 MET A2047 -2.531 9.067 1.406 1.00 44.53 H new ATOM 0 HE3 MET A2047 -1.579 9.392 2.874 1.00 44.53 H new ATOM 576 N PHE A2048 -2.346 7.315 5.079 1.00 12.21 N ATOM 577 CA PHE A2048 -1.077 6.945 5.682 1.00 1.13 C ATOM 578 C PHE A2048 -1.294 6.135 6.963 1.00 70.44 C ATOM 579 O PHE A2048 -0.540 5.206 7.248 1.00 35.40 O ATOM 580 CB PHE A2048 -0.351 8.245 6.032 1.00 12.32 C ATOM 581 CG PHE A2048 0.204 8.994 4.819 1.00 70.33 C ATOM 582 CD1 PHE A2048 0.778 8.304 3.798 1.00 14.03 C ATOM 583 CD2 PHE A2048 0.123 10.351 4.761 1.00 31.54 C ATOM 584 CE1 PHE A2048 1.293 8.999 2.673 1.00 21.20 C ATOM 585 CE2 PHE A2048 0.638 11.047 3.635 1.00 32.33 C ATOM 586 CZ PHE A2048 1.212 10.355 2.616 1.00 61.43 C ATOM 0 H PHE A2048 -2.538 8.317 5.070 1.00 12.21 H new ATOM 0 HA PHE A2048 -0.501 6.332 4.989 1.00 1.13 H new ATOM 0 HB2 PHE A2048 -1.038 8.900 6.567 1.00 12.32 H new ATOM 0 HB3 PHE A2048 0.469 8.019 6.713 1.00 12.32 H new ATOM 0 HD1 PHE A2048 0.842 7.227 3.843 1.00 14.03 H new ATOM 0 HD2 PHE A2048 -0.333 10.899 5.572 1.00 31.54 H new ATOM 0 HE1 PHE A2048 1.749 8.451 1.862 1.00 21.20 H new ATOM 0 HE2 PHE A2048 0.574 12.124 3.589 1.00 32.33 H new ATOM 0 HZ PHE A2048 1.604 10.883 1.760 1.00 61.43 H new ATOM 596 N GLU A2049 -2.327 6.517 7.697 1.00 30.15 N ATOM 597 CA GLU A2049 -2.653 5.838 8.941 1.00 72.23 C ATOM 598 C GLU A2049 -3.316 4.489 8.652 1.00 5.32 C ATOM 599 O GLU A2049 -3.424 3.645 9.539 1.00 63.51 O ATOM 600 CB GLU A2049 -3.547 6.710 9.823 1.00 32.42 C ATOM 601 CG GLU A2049 -2.865 8.039 10.154 1.00 60.20 C ATOM 602 CD GLU A2049 -3.896 9.104 10.534 1.00 13.34 C ATOM 603 OE1 GLU A2049 -4.936 9.226 9.868 1.00 12.35 O ATOM 604 OE2 GLU A2049 -3.585 9.821 11.561 1.00 63.20 O ATOM 0 H GLU A2049 -2.950 7.288 7.456 1.00 30.15 H new ATOM 0 HA GLU A2049 -1.727 5.656 9.486 1.00 72.23 H new ATOM 0 HB2 GLU A2049 -4.492 6.899 9.314 1.00 32.42 H new ATOM 0 HB3 GLU A2049 -3.783 6.179 10.745 1.00 32.42 H new ATOM 0 HG2 GLU A2049 -2.163 7.897 10.976 1.00 60.20 H new ATOM 0 HG3 GLU A2049 -2.286 8.378 9.295 1.00 60.20 H new ATOM 612 N VAL A2050 -3.738 4.330 7.406 1.00 21.42 N ATOM 613 CA VAL A2050 -4.387 3.097 6.989 1.00 51.40 C ATOM 614 C VAL A2050 -3.319 2.068 6.612 1.00 51.03 C ATOM 615 O VAL A2050 -3.419 0.900 6.985 1.00 2.11 O ATOM 616 CB VAL A2050 -5.370 3.383 5.852 1.00 52.11 C ATOM 617 CG1 VAL A2050 -5.738 2.097 5.110 1.00 60.15 C ATOM 618 CG2 VAL A2050 -6.622 4.091 6.375 1.00 12.03 C ATOM 0 H VAL A2050 -3.644 5.033 6.673 1.00 21.42 H new ATOM 0 HA VAL A2050 -4.971 2.675 7.807 1.00 51.40 H new ATOM 0 HB VAL A2050 -4.879 4.050 5.144 1.00 52.11 H new ATOM 0 HG11 VAL A2050 -6.438 2.328 4.307 1.00 60.15 H new ATOM 0 HG12 VAL A2050 -4.838 1.649 4.689 1.00 60.15 H new ATOM 0 HG13 VAL A2050 -6.201 1.396 5.804 1.00 60.15 H new ATOM 0 HG21 VAL A2050 -7.304 4.283 5.547 1.00 12.03 H new ATOM 0 HG22 VAL A2050 -7.116 3.459 7.113 1.00 12.03 H new ATOM 0 HG23 VAL A2050 -6.339 5.036 6.838 1.00 12.03 H new ATOM 628 N LEU A2051 -2.323 2.538 5.875 1.00 70.22 N ATOM 629 CA LEU A2051 -1.239 1.673 5.444 1.00 24.42 C ATOM 630 C LEU A2051 -0.285 1.433 6.616 1.00 43.11 C ATOM 631 O LEU A2051 0.130 0.302 6.862 1.00 43.23 O ATOM 632 CB LEU A2051 -0.554 2.248 4.203 1.00 75.11 C ATOM 633 CG LEU A2051 -1.452 2.463 2.981 1.00 5.10 C ATOM 634 CD1 LEU A2051 -2.927 2.280 3.345 1.00 11.32 C ATOM 635 CD2 LEU A2051 -1.185 3.825 2.336 1.00 1.24 C ATOM 0 H LEU A2051 -2.244 3.507 5.566 1.00 70.22 H new ATOM 0 HA LEU A2051 -1.627 0.700 5.144 1.00 24.42 H new ATOM 0 HB2 LEU A2051 -0.103 3.204 4.471 1.00 75.11 H new ATOM 0 HB3 LEU A2051 0.259 1.580 3.919 1.00 75.11 H new ATOM 0 HG LEU A2051 -1.207 1.703 2.240 1.00 5.10 H new ATOM 0 HD11 LEU A2051 -3.543 2.438 2.460 1.00 11.32 H new ATOM 0 HD12 LEU A2051 -3.086 1.270 3.722 1.00 11.32 H new ATOM 0 HD13 LEU A2051 -3.204 3.002 4.113 1.00 11.32 H new ATOM 0 HD21 LEU A2051 -1.836 3.952 1.471 1.00 1.24 H new ATOM 0 HD22 LEU A2051 -1.385 4.616 3.059 1.00 1.24 H new ATOM 0 HD23 LEU A2051 -0.144 3.879 2.018 1.00 1.24 H new ATOM 647 N GLU A2052 0.034 2.516 7.308 1.00 40.13 N ATOM 648 CA GLU A2052 0.931 2.438 8.449 1.00 41.30 C ATOM 649 C GLU A2052 0.715 1.128 9.206 1.00 63.40 C ATOM 650 O GLU A2052 1.659 0.369 9.423 1.00 35.23 O ATOM 651 CB GLU A2052 0.747 3.643 9.373 1.00 33.35 C ATOM 652 CG GLU A2052 1.944 4.593 9.281 1.00 13.22 C ATOM 653 CD GLU A2052 3.071 4.147 10.214 1.00 20.32 C ATOM 654 OE1 GLU A2052 3.433 2.961 10.227 1.00 42.34 O ATOM 655 OE2 GLU A2052 3.578 5.083 10.943 1.00 71.21 O ATOM 0 H GLU A2052 -0.312 3.453 7.101 1.00 40.13 H new ATOM 0 HA GLU A2052 1.957 2.456 8.082 1.00 41.30 H new ATOM 0 HB2 GLU A2052 -0.166 4.175 9.105 1.00 33.35 H new ATOM 0 HB3 GLU A2052 0.627 3.302 10.401 1.00 33.35 H new ATOM 0 HG2 GLU A2052 2.309 4.626 8.254 1.00 13.22 H new ATOM 0 HG3 GLU A2052 1.631 5.604 9.541 1.00 13.22 H new ATOM 663 N PRO A2053 -0.567 0.893 9.596 1.00 43.13 N ATOM 664 CA PRO A2053 -0.920 -0.314 10.324 1.00 54.35 C ATOM 665 C PRO A2053 -0.945 -1.528 9.393 1.00 32.44 C ATOM 666 O PRO A2053 -0.341 -2.556 9.692 1.00 14.21 O ATOM 667 CB PRO A2053 -2.274 -0.015 10.947 1.00 71.51 C ATOM 668 CG PRO A2053 -2.841 1.162 10.171 1.00 52.52 C ATOM 669 CD PRO A2053 -1.710 1.769 9.355 1.00 64.12 C ATOM 0 HA PRO A2053 -0.191 -0.571 11.092 1.00 54.35 H new ATOM 0 HB2 PRO A2053 -2.934 -0.880 10.881 1.00 71.51 H new ATOM 0 HB3 PRO A2053 -2.172 0.228 12.005 1.00 71.51 H new ATOM 0 HG2 PRO A2053 -3.650 0.835 9.518 1.00 52.52 H new ATOM 0 HG3 PRO A2053 -3.261 1.902 10.852 1.00 52.52 H new ATOM 0 HD2 PRO A2053 -1.963 1.808 8.295 1.00 64.12 H new ATOM 0 HD3 PRO A2053 -1.499 2.791 9.670 1.00 64.12 H new ATOM 677 N LEU A2054 -1.652 -1.368 8.283 1.00 41.25 N ATOM 678 CA LEU A2054 -1.764 -2.439 7.307 1.00 44.35 C ATOM 679 C LEU A2054 -0.371 -2.992 7.002 1.00 21.12 C ATOM 680 O LEU A2054 -0.133 -4.191 7.137 1.00 44.32 O ATOM 681 CB LEU A2054 -2.519 -1.956 6.067 1.00 2.24 C ATOM 682 CG LEU A2054 -4.039 -2.124 6.101 1.00 60.43 C ATOM 683 CD1 LEU A2054 -4.532 -2.378 7.526 1.00 15.03 C ATOM 684 CD2 LEU A2054 -4.738 -0.924 5.458 1.00 13.33 C ATOM 0 H LEU A2054 -2.152 -0.514 8.038 1.00 41.25 H new ATOM 0 HA LEU A2054 -2.353 -3.263 7.710 1.00 44.35 H new ATOM 0 HB2 LEU A2054 -2.293 -0.900 5.916 1.00 2.24 H new ATOM 0 HB3 LEU A2054 -2.133 -2.491 5.199 1.00 2.24 H new ATOM 0 HG LEU A2054 -4.298 -3.003 5.510 1.00 60.43 H new ATOM 0 HD11 LEU A2054 -5.616 -2.494 7.521 1.00 15.03 H new ATOM 0 HD12 LEU A2054 -4.072 -3.287 7.914 1.00 15.03 H new ATOM 0 HD13 LEU A2054 -4.260 -1.535 8.161 1.00 15.03 H new ATOM 0 HD21 LEU A2054 -5.818 -1.069 5.495 1.00 13.33 H new ATOM 0 HD22 LEU A2054 -4.475 -0.016 6.000 1.00 13.33 H new ATOM 0 HD23 LEU A2054 -4.420 -0.831 4.420 1.00 13.33 H new ATOM 696 N HIS A2055 0.514 -2.091 6.596 1.00 32.24 N ATOM 697 CA HIS A2055 1.875 -2.475 6.270 1.00 42.22 C ATOM 698 C HIS A2055 2.541 -3.101 7.497 1.00 75.21 C ATOM 699 O HIS A2055 3.088 -4.200 7.419 1.00 51.41 O ATOM 700 CB HIS A2055 2.657 -1.284 5.716 1.00 41.34 C ATOM 701 CG HIS A2055 2.176 -0.806 4.368 1.00 64.44 C ATOM 702 ND1 HIS A2055 2.518 0.428 3.841 1.00 75.30 N ATOM 703 CD2 HIS A2055 1.374 -1.410 3.442 1.00 11.43 C ATOM 704 CE1 HIS A2055 1.942 0.552 2.655 1.00 43.13 C ATOM 705 NE2 HIS A2055 1.235 -0.589 2.408 1.00 34.40 N ATOM 0 H HIS A2055 0.313 -1.097 6.486 1.00 32.24 H new ATOM 0 HA HIS A2055 1.864 -3.228 5.482 1.00 42.22 H new ATOM 0 HB2 HIS A2055 2.594 -0.459 6.426 1.00 41.34 H new ATOM 0 HB3 HIS A2055 3.709 -1.558 5.638 1.00 41.34 H new ATOM 0 HD2 HIS A2055 0.928 -2.389 3.535 1.00 11.43 H new ATOM 0 HE1 HIS A2055 2.018 1.406 1.998 1.00 43.13 H new ATOM 0 HE2 HIS A2055 0.690 -0.780 1.567 1.00 34.40 H new ATOM 714 N ALA A2056 2.469 -2.376 8.604 1.00 52.45 N ATOM 715 CA ALA A2056 3.058 -2.845 9.846 1.00 15.22 C ATOM 716 C ALA A2056 2.557 -4.261 10.139 1.00 12.51 C ATOM 717 O ALA A2056 3.352 -5.157 10.419 1.00 64.31 O ATOM 718 CB ALA A2056 2.724 -1.864 10.972 1.00 24.34 C ATOM 0 H ALA A2056 2.011 -1.467 8.666 1.00 52.45 H new ATOM 0 HA ALA A2056 4.144 -2.889 9.764 1.00 15.22 H new ATOM 0 HB1 ALA A2056 3.166 -2.216 11.904 1.00 24.34 H new ATOM 0 HB2 ALA A2056 3.126 -0.880 10.729 1.00 24.34 H new ATOM 0 HB3 ALA A2056 1.642 -1.796 11.086 1.00 24.34 H new ATOM 724 N MET A2057 1.245 -4.418 10.065 1.00 70.55 N ATOM 725 CA MET A2057 0.629 -5.710 10.318 1.00 43.13 C ATOM 726 C MET A2057 1.297 -6.807 9.487 1.00 2.25 C ATOM 727 O MET A2057 1.477 -7.928 9.963 1.00 72.40 O ATOM 728 CB MET A2057 -0.859 -5.643 9.969 1.00 14.25 C ATOM 729 CG MET A2057 -1.226 -6.695 8.923 1.00 61.22 C ATOM 730 SD MET A2057 -2.995 -6.737 8.689 1.00 52.55 S ATOM 731 CE MET A2057 -3.070 -7.115 6.947 1.00 31.31 C ATOM 0 H MET A2057 0.590 -3.672 9.833 1.00 70.55 H new ATOM 0 HA MET A2057 0.754 -5.951 11.374 1.00 43.13 H new ATOM 0 HB2 MET A2057 -1.454 -5.797 10.869 1.00 14.25 H new ATOM 0 HB3 MET A2057 -1.103 -4.650 9.592 1.00 14.25 H new ATOM 0 HG2 MET A2057 -0.732 -6.468 7.978 1.00 61.22 H new ATOM 0 HG3 MET A2057 -0.870 -7.675 9.241 1.00 61.22 H new ATOM 0 HE1 MET A2057 -4.110 -7.248 6.648 1.00 31.31 H new ATOM 0 HE2 MET A2057 -2.631 -6.296 6.378 1.00 31.31 H new ATOM 0 HE3 MET A2057 -2.515 -8.032 6.750 1.00 31.31 H new ATOM 741 N MET A2058 1.649 -6.447 8.263 1.00 43.02 N ATOM 742 CA MET A2058 2.295 -7.387 7.363 1.00 5.44 C ATOM 743 C MET A2058 3.700 -7.742 7.854 1.00 23.42 C ATOM 744 O MET A2058 4.150 -8.876 7.698 1.00 31.41 O ATOM 745 CB MET A2058 2.384 -6.776 5.963 1.00 65.10 C ATOM 746 CG MET A2058 0.994 -6.413 5.434 1.00 12.43 C ATOM 747 SD MET A2058 0.537 -7.521 4.111 1.00 74.11 S ATOM 748 CE MET A2058 -1.166 -7.837 4.546 1.00 1.03 C ATOM 0 H MET A2058 1.499 -5.517 7.872 1.00 43.02 H new ATOM 0 HA MET A2058 1.699 -8.299 7.335 1.00 5.44 H new ATOM 0 HB2 MET A2058 3.011 -5.885 5.990 1.00 65.10 H new ATOM 0 HB3 MET A2058 2.863 -7.482 5.284 1.00 65.10 H new ATOM 0 HG2 MET A2058 0.262 -6.473 6.239 1.00 12.43 H new ATOM 0 HG3 MET A2058 0.989 -5.384 5.076 1.00 12.43 H new ATOM 0 HE1 MET A2058 -1.719 -8.137 3.656 1.00 1.03 H new ATOM 0 HE2 MET A2058 -1.210 -8.635 5.287 1.00 1.03 H new ATOM 0 HE3 MET A2058 -1.610 -6.932 4.961 1.00 1.03 H new ATOM 758 N GLU A2059 4.356 -6.751 8.440 1.00 55.14 N ATOM 759 CA GLU A2059 5.699 -6.943 8.956 1.00 53.12 C ATOM 760 C GLU A2059 5.663 -7.798 10.225 1.00 44.32 C ATOM 761 O GLU A2059 6.213 -8.899 10.252 1.00 61.25 O ATOM 762 CB GLU A2059 6.383 -5.600 9.218 1.00 14.21 C ATOM 763 CG GLU A2059 6.021 -4.578 8.141 1.00 73.43 C ATOM 764 CD GLU A2059 6.019 -5.224 6.753 1.00 45.11 C ATOM 765 OE1 GLU A2059 5.047 -5.073 5.999 1.00 23.11 O ATOM 766 OE2 GLU A2059 7.080 -5.900 6.466 1.00 73.14 O ATOM 0 H GLU A2059 3.981 -5.811 8.569 1.00 55.14 H new ATOM 0 HA GLU A2059 6.285 -7.470 8.203 1.00 53.12 H new ATOM 0 HB2 GLU A2059 6.086 -5.222 10.196 1.00 14.21 H new ATOM 0 HB3 GLU A2059 7.464 -5.738 9.244 1.00 14.21 H new ATOM 0 HG2 GLU A2059 5.039 -4.155 8.351 1.00 73.43 H new ATOM 0 HG3 GLU A2059 6.734 -3.754 8.162 1.00 73.43 H new ATOM 774 N ARG A2060 5.012 -7.259 11.244 1.00 35.35 N ATOM 775 CA ARG A2060 4.896 -7.960 12.512 1.00 4.33 C ATOM 776 C ARG A2060 3.929 -9.139 12.382 1.00 3.52 C ATOM 777 O ARG A2060 3.897 -10.015 13.244 1.00 20.22 O ATOM 778 CB ARG A2060 4.399 -7.023 13.616 1.00 45.14 C ATOM 779 CG ARG A2060 2.987 -6.517 13.312 1.00 23.12 C ATOM 780 CD ARG A2060 2.484 -5.597 14.427 1.00 23.31 C ATOM 781 NE ARG A2060 1.989 -6.406 15.564 1.00 53.41 N ATOM 782 CZ ARG A2060 1.704 -5.900 16.782 1.00 60.12 C ATOM 783 NH1 ARG A2060 1.862 -4.583 17.033 1.00 75.12 N ATOM 784 NH2 ARG A2060 1.269 -6.713 17.727 1.00 3.33 N ATOM 0 H ARG A2060 4.559 -6.345 11.218 1.00 35.35 H new ATOM 0 HA ARG A2060 5.887 -8.326 12.779 1.00 4.33 H new ATOM 0 HB2 ARG A2060 4.403 -7.547 14.572 1.00 45.14 H new ATOM 0 HB3 ARG A2060 5.079 -6.177 13.713 1.00 45.14 H new ATOM 0 HG2 ARG A2060 2.985 -5.980 12.364 1.00 23.12 H new ATOM 0 HG3 ARG A2060 2.309 -7.363 13.200 1.00 23.12 H new ATOM 0 HD2 ARG A2060 3.288 -4.941 14.759 1.00 23.31 H new ATOM 0 HD3 ARG A2060 1.686 -4.957 14.050 1.00 23.31 H new ATOM 0 HE ARG A2060 1.855 -7.407 15.418 1.00 53.41 H new ATOM 0 HH11 ARG A2060 2.200 -3.961 16.299 1.00 75.12 H new ATOM 0 HH12 ARG A2060 1.644 -4.210 17.957 1.00 75.12 H new ATOM 0 HH21 ARG A2060 1.153 -7.707 17.531 1.00 3.33 H new ATOM 0 HH22 ARG A2060 1.049 -6.347 18.653 1.00 3.33 H new ATOM 796 N GLY A2061 3.169 -9.122 11.298 1.00 2.31 N ATOM 797 CA GLY A2061 2.205 -10.180 11.044 1.00 45.12 C ATOM 798 C GLY A2061 2.473 -10.853 9.697 1.00 23.42 C ATOM 799 O GLY A2061 1.732 -10.648 8.736 1.00 13.44 O ATOM 0 H GLY A2061 3.200 -8.393 10.585 1.00 2.31 H new ATOM 0 HA2 GLY A2061 2.255 -10.921 11.841 1.00 45.12 H new ATOM 0 HA3 GLY A2061 1.196 -9.768 11.054 1.00 45.12 H new ATOM 803 N PRO A2062 3.563 -11.666 9.668 1.00 4.30 N ATOM 804 CA PRO A2062 3.938 -12.372 8.455 1.00 43.43 C ATOM 805 C PRO A2062 3.007 -13.557 8.199 1.00 31.42 C ATOM 806 O PRO A2062 1.912 -13.624 8.759 1.00 55.55 O ATOM 807 CB PRO A2062 5.384 -12.789 8.674 1.00 3.11 C ATOM 808 CG PRO A2062 5.616 -12.713 10.173 1.00 51.41 C ATOM 809 CD PRO A2062 4.465 -11.933 10.785 1.00 74.30 C ATOM 0 HA PRO A2062 3.846 -11.753 7.563 1.00 43.43 H new ATOM 0 HB2 PRO A2062 5.560 -13.798 8.302 1.00 3.11 H new ATOM 0 HB3 PRO A2062 6.066 -12.129 8.139 1.00 3.11 H new ATOM 0 HG2 PRO A2062 5.669 -13.714 10.602 1.00 51.41 H new ATOM 0 HG3 PRO A2062 6.566 -12.223 10.388 1.00 51.41 H new ATOM 0 HD2 PRO A2062 3.968 -12.508 11.566 1.00 74.30 H new ATOM 0 HD3 PRO A2062 4.813 -11.007 11.243 1.00 74.30 H new ATOM 817 N GLN A2063 3.470 -14.464 7.352 1.00 3.33 N ATOM 818 CA GLN A2063 2.693 -15.642 7.015 1.00 31.34 C ATOM 819 C GLN A2063 3.617 -16.830 6.743 1.00 4.21 C ATOM 820 O GLN A2063 3.706 -17.751 7.552 1.00 30.35 O ATOM 821 CB GLN A2063 1.779 -15.372 5.817 1.00 24.12 C ATOM 822 CG GLN A2063 0.615 -16.367 5.780 1.00 54.51 C ATOM 823 CD GLN A2063 -0.700 -15.660 5.445 1.00 50.25 C ATOM 824 OE1 GLN A2063 -0.751 -14.459 5.231 1.00 33.42 O ATOM 825 NE2 GLN A2063 -1.755 -16.466 5.410 1.00 31.52 N ATOM 0 H GLN A2063 4.377 -14.405 6.888 1.00 3.33 H new ATOM 0 HA GLN A2063 2.059 -15.889 7.866 1.00 31.34 H new ATOM 0 HB2 GLN A2063 1.391 -14.355 5.873 1.00 24.12 H new ATOM 0 HB3 GLN A2063 2.353 -15.444 4.893 1.00 24.12 H new ATOM 0 HG2 GLN A2063 0.816 -17.140 5.038 1.00 54.51 H new ATOM 0 HG3 GLN A2063 0.528 -16.866 6.745 1.00 54.51 H new ATOM 0 HE21 GLN A2063 -1.642 -17.462 5.599 1.00 31.52 H new ATOM 0 HE22 GLN A2063 -2.678 -16.089 5.194 1.00 31.52 H new ATOM 834 N THR A2064 4.284 -16.770 5.600 1.00 31.23 N ATOM 835 CA THR A2064 5.199 -17.830 5.210 1.00 70.15 C ATOM 836 C THR A2064 6.240 -17.298 4.223 1.00 42.12 C ATOM 837 O THR A2064 6.186 -16.136 3.823 1.00 11.34 O ATOM 838 CB THR A2064 4.371 -18.989 4.652 1.00 74.55 C ATOM 839 OG1 THR A2064 3.434 -18.360 3.781 1.00 72.12 O ATOM 840 CG2 THR A2064 3.498 -19.652 5.719 1.00 11.53 C ATOM 0 H THR A2064 4.209 -16.004 4.931 1.00 31.23 H new ATOM 0 HA THR A2064 5.765 -18.198 6.066 1.00 70.15 H new ATOM 0 HB THR A2064 5.038 -19.732 4.214 1.00 74.55 H new ATOM 0 HG1 THR A2064 2.857 -19.040 3.375 1.00 72.12 H new ATOM 0 HG21 THR A2064 2.931 -20.468 5.270 1.00 11.53 H new ATOM 0 HG22 THR A2064 4.131 -20.045 6.515 1.00 11.53 H new ATOM 0 HG23 THR A2064 2.809 -18.917 6.134 1.00 11.53 H new ATOM 848 N LEU A2065 7.165 -18.175 3.859 1.00 2.12 N ATOM 849 CA LEU A2065 8.217 -17.808 2.926 1.00 10.10 C ATOM 850 C LEU A2065 7.595 -17.445 1.577 1.00 62.51 C ATOM 851 O LEU A2065 8.159 -16.658 0.821 1.00 42.45 O ATOM 852 CB LEU A2065 9.268 -18.915 2.842 1.00 5.05 C ATOM 853 CG LEU A2065 10.726 -18.456 2.780 1.00 4.13 C ATOM 854 CD1 LEU A2065 11.064 -17.886 1.401 1.00 74.11 C ATOM 855 CD2 LEU A2065 11.036 -17.463 3.903 1.00 23.02 C ATOM 0 H LEU A2065 7.208 -19.138 4.193 1.00 2.12 H new ATOM 0 HA LEU A2065 8.747 -16.924 3.279 1.00 10.10 H new ATOM 0 HB2 LEU A2065 9.150 -19.566 3.708 1.00 5.05 H new ATOM 0 HB3 LEU A2065 9.061 -19.519 1.958 1.00 5.05 H new ATOM 0 HG LEU A2065 11.365 -19.326 2.933 1.00 4.13 H new ATOM 0 HD11 LEU A2065 12.106 -17.567 1.385 1.00 74.11 H new ATOM 0 HD12 LEU A2065 10.907 -18.652 0.642 1.00 74.11 H new ATOM 0 HD13 LEU A2065 10.420 -17.032 1.193 1.00 74.11 H new ATOM 0 HD21 LEU A2065 12.079 -17.152 3.836 1.00 23.02 H new ATOM 0 HD22 LEU A2065 10.390 -16.590 3.805 1.00 23.02 H new ATOM 0 HD23 LEU A2065 10.860 -17.938 4.868 1.00 23.02 H new ATOM 867 N LYS A2066 6.440 -18.040 1.316 1.00 23.13 N ATOM 868 CA LYS A2066 5.735 -17.790 0.071 1.00 50.12 C ATOM 869 C LYS A2066 5.201 -16.357 0.071 1.00 70.14 C ATOM 870 O LYS A2066 5.226 -15.681 -0.958 1.00 44.41 O ATOM 871 CB LYS A2066 4.653 -18.849 -0.154 1.00 21.40 C ATOM 872 CG LYS A2066 5.023 -19.775 -1.313 1.00 43.45 C ATOM 873 CD LYS A2066 4.888 -19.053 -2.656 1.00 60.31 C ATOM 874 CE LYS A2066 4.540 -20.039 -3.774 1.00 54.33 C ATOM 875 NZ LYS A2066 3.096 -19.975 -4.089 1.00 32.41 N ATOM 0 H LYS A2066 5.975 -18.694 1.946 1.00 23.13 H new ATOM 0 HA LYS A2066 6.416 -17.877 -0.776 1.00 50.12 H new ATOM 0 HB2 LYS A2066 4.518 -19.435 0.755 1.00 21.40 H new ATOM 0 HB3 LYS A2066 3.701 -18.362 -0.363 1.00 21.40 H new ATOM 0 HG2 LYS A2066 6.046 -20.129 -1.188 1.00 43.45 H new ATOM 0 HG3 LYS A2066 4.378 -20.653 -1.302 1.00 43.45 H new ATOM 0 HD2 LYS A2066 4.114 -18.288 -2.586 1.00 60.31 H new ATOM 0 HD3 LYS A2066 5.821 -18.542 -2.894 1.00 60.31 H new ATOM 0 HE2 LYS A2066 5.123 -19.808 -4.665 1.00 54.33 H new ATOM 0 HE3 LYS A2066 4.808 -21.051 -3.471 1.00 54.33 H new ATOM 0 HZ1 LYS A2066 2.876 -20.650 -4.849 1.00 32.41 H new ATOM 0 HZ2 LYS A2066 2.545 -20.217 -3.241 1.00 32.41 H new ATOM 0 HZ3 LYS A2066 2.850 -19.013 -4.398 1.00 32.41 H new ATOM 888 N GLU A2067 4.730 -15.934 1.235 1.00 45.43 N ATOM 889 CA GLU A2067 4.192 -14.592 1.381 1.00 54.45 C ATOM 890 C GLU A2067 5.328 -13.576 1.513 1.00 12.11 C ATOM 891 O GLU A2067 5.133 -12.386 1.266 1.00 4.52 O ATOM 892 CB GLU A2067 3.241 -14.510 2.578 1.00 65.32 C ATOM 893 CG GLU A2067 1.784 -14.427 2.117 1.00 4.41 C ATOM 894 CD GLU A2067 1.403 -12.989 1.762 1.00 32.03 C ATOM 895 OE1 GLU A2067 2.287 -12.137 1.589 1.00 21.11 O ATOM 896 OE2 GLU A2067 0.135 -12.768 1.671 1.00 45.03 O ATOM 0 H GLU A2067 4.710 -16.497 2.086 1.00 45.43 H new ATOM 0 HA GLU A2067 3.619 -14.352 0.486 1.00 54.45 H new ATOM 0 HB2 GLU A2067 3.375 -15.385 3.214 1.00 65.32 H new ATOM 0 HB3 GLU A2067 3.485 -13.636 3.182 1.00 65.32 H new ATOM 0 HG2 GLU A2067 1.636 -15.071 1.250 1.00 4.41 H new ATOM 0 HG3 GLU A2067 1.128 -14.797 2.905 1.00 4.41 H new ATOM 904 N THR A2068 6.491 -14.081 1.901 1.00 74.31 N ATOM 905 CA THR A2068 7.657 -13.233 2.069 1.00 74.33 C ATOM 906 C THR A2068 8.012 -12.548 0.747 1.00 22.34 C ATOM 907 O THR A2068 8.605 -11.470 0.743 1.00 22.25 O ATOM 908 CB THR A2068 8.789 -14.092 2.633 1.00 23.11 C ATOM 909 OG1 THR A2068 8.607 -14.026 4.044 1.00 51.23 O ATOM 910 CG2 THR A2068 10.167 -13.467 2.406 1.00 5.01 C ATOM 0 H THR A2068 6.649 -15.068 2.104 1.00 74.31 H new ATOM 0 HA THR A2068 7.462 -12.426 2.775 1.00 74.33 H new ATOM 0 HB THR A2068 8.758 -15.080 2.173 1.00 23.11 H new ATOM 0 HG1 THR A2068 7.880 -14.627 4.308 1.00 51.23 H new ATOM 0 HG21 THR A2068 10.935 -14.117 2.825 1.00 5.01 H new ATOM 0 HG22 THR A2068 10.339 -13.345 1.337 1.00 5.01 H new ATOM 0 HG23 THR A2068 10.210 -12.493 2.894 1.00 5.01 H new ATOM 918 N SER A2069 7.636 -13.202 -0.341 1.00 41.23 N ATOM 919 CA SER A2069 7.908 -12.670 -1.666 1.00 23.32 C ATOM 920 C SER A2069 6.974 -11.495 -1.958 1.00 40.44 C ATOM 921 O SER A2069 7.354 -10.558 -2.662 1.00 63.42 O ATOM 922 CB SER A2069 7.749 -13.752 -2.737 1.00 21.24 C ATOM 923 OG SER A2069 8.983 -14.041 -3.389 1.00 34.11 O ATOM 0 H SER A2069 7.145 -14.096 -0.333 1.00 41.23 H new ATOM 0 HA SER A2069 8.940 -12.321 -1.690 1.00 23.32 H new ATOM 0 HB2 SER A2069 7.359 -14.661 -2.279 1.00 21.24 H new ATOM 0 HB3 SER A2069 7.016 -13.427 -3.475 1.00 21.24 H new ATOM 0 HG SER A2069 8.841 -14.737 -4.064 1.00 34.11 H new ATOM 929 N PHE A2070 5.775 -11.577 -1.404 1.00 15.04 N ATOM 930 CA PHE A2070 4.786 -10.531 -1.595 1.00 53.24 C ATOM 931 C PHE A2070 5.205 -9.243 -0.884 1.00 64.11 C ATOM 932 O PHE A2070 5.159 -8.162 -1.471 1.00 65.33 O ATOM 933 CB PHE A2070 3.478 -11.035 -0.985 1.00 33.22 C ATOM 934 CG PHE A2070 2.338 -10.013 -1.024 1.00 64.23 C ATOM 935 CD1 PHE A2070 2.257 -9.048 -0.070 1.00 75.11 C ATOM 936 CD2 PHE A2070 1.409 -10.072 -2.015 1.00 35.34 C ATOM 937 CE1 PHE A2070 1.199 -8.100 -0.107 1.00 25.34 C ATOM 938 CE2 PHE A2070 0.351 -9.124 -2.051 1.00 65.51 C ATOM 939 CZ PHE A2070 0.269 -8.158 -1.098 1.00 12.02 C ATOM 0 H PHE A2070 5.465 -12.354 -0.821 1.00 15.04 H new ATOM 0 HA PHE A2070 4.680 -10.309 -2.657 1.00 53.24 H new ATOM 0 HB2 PHE A2070 3.164 -11.934 -1.515 1.00 33.22 H new ATOM 0 HB3 PHE A2070 3.659 -11.323 0.051 1.00 33.22 H new ATOM 0 HD1 PHE A2070 2.996 -9.002 0.716 1.00 75.11 H new ATOM 0 HD2 PHE A2070 1.475 -10.838 -2.773 1.00 35.34 H new ATOM 0 HE1 PHE A2070 1.133 -7.334 0.651 1.00 25.34 H new ATOM 0 HE2 PHE A2070 -0.389 -9.171 -2.836 1.00 65.51 H new ATOM 0 HZ PHE A2070 -0.534 -7.437 -1.128 1.00 12.02 H new ATOM 949 N ASN A2071 5.605 -9.400 0.369 1.00 70.24 N ATOM 950 CA ASN A2071 6.032 -8.263 1.167 1.00 72.45 C ATOM 951 C ASN A2071 7.390 -7.772 0.662 1.00 45.24 C ATOM 952 O ASN A2071 7.711 -6.592 0.780 1.00 13.05 O ATOM 953 CB ASN A2071 6.186 -8.649 2.638 1.00 3.10 C ATOM 954 CG ASN A2071 6.046 -7.424 3.545 1.00 25.12 C ATOM 955 OD1 ASN A2071 7.011 -6.772 3.904 1.00 25.22 O ATOM 956 ND2 ASN A2071 4.792 -7.149 3.892 1.00 43.22 N ATOM 0 H ASN A2071 5.643 -10.298 0.852 1.00 70.24 H new ATOM 0 HA ASN A2071 5.275 -7.484 1.076 1.00 72.45 H new ATOM 0 HB2 ASN A2071 5.433 -9.390 2.904 1.00 3.10 H new ATOM 0 HB3 ASN A2071 7.160 -9.113 2.796 1.00 3.10 H new ATOM 0 HD21 ASN A2071 4.593 -6.350 4.494 1.00 43.22 H new ATOM 0 HD22 ASN A2071 4.029 -7.737 3.556 1.00 43.22 H new ATOM 963 N GLN A2072 8.151 -8.704 0.107 1.00 11.24 N ATOM 964 CA GLN A2072 9.467 -8.382 -0.416 1.00 44.52 C ATOM 965 C GLN A2072 9.346 -7.725 -1.793 1.00 72.11 C ATOM 966 O GLN A2072 9.897 -6.650 -2.024 1.00 23.32 O ATOM 967 CB GLN A2072 10.352 -9.629 -0.481 1.00 51.13 C ATOM 968 CG GLN A2072 10.950 -9.950 0.890 1.00 53.13 C ATOM 969 CD GLN A2072 11.889 -11.153 0.811 1.00 74.12 C ATOM 970 OE1 GLN A2072 11.867 -11.931 -0.129 1.00 11.13 O ATOM 971 NE2 GLN A2072 12.716 -11.264 1.848 1.00 72.42 N ATOM 0 H GLN A2072 7.881 -9.683 0.008 1.00 11.24 H new ATOM 0 HA GLN A2072 9.942 -7.674 0.263 1.00 44.52 H new ATOM 0 HB2 GLN A2072 9.765 -10.477 -0.833 1.00 51.13 H new ATOM 0 HB3 GLN A2072 11.153 -9.473 -1.204 1.00 51.13 H new ATOM 0 HG2 GLN A2072 11.495 -9.083 1.265 1.00 53.13 H new ATOM 0 HG3 GLN A2072 10.149 -10.155 1.601 1.00 53.13 H new ATOM 0 HE21 GLN A2072 12.683 -10.578 2.602 1.00 72.42 H new ATOM 0 HE22 GLN A2072 13.383 -12.035 1.888 1.00 72.42 H new ATOM 980 N ALA A2073 8.617 -8.398 -2.673 1.00 51.41 N ATOM 981 CA ALA A2073 8.414 -7.893 -4.020 1.00 41.44 C ATOM 982 C ALA A2073 8.142 -6.389 -3.960 1.00 54.32 C ATOM 983 O ALA A2073 8.764 -5.613 -4.686 1.00 73.11 O ATOM 984 CB ALA A2073 7.276 -8.666 -4.689 1.00 41.22 C ATOM 0 H ALA A2073 8.160 -9.289 -2.478 1.00 51.41 H new ATOM 0 HA ALA A2073 9.308 -8.042 -4.625 1.00 41.44 H new ATOM 0 HB1 ALA A2073 7.124 -8.287 -5.700 1.00 41.22 H new ATOM 0 HB2 ALA A2073 7.532 -9.725 -4.733 1.00 41.22 H new ATOM 0 HB3 ALA A2073 6.360 -8.538 -4.112 1.00 41.22 H new ATOM 990 N TYR A2074 7.214 -6.021 -3.090 1.00 11.25 N ATOM 991 CA TYR A2074 6.851 -4.624 -2.926 1.00 53.43 C ATOM 992 C TYR A2074 7.623 -3.990 -1.767 1.00 3.30 C ATOM 993 O TYR A2074 7.687 -2.767 -1.653 1.00 45.24 O ATOM 994 CB TYR A2074 5.357 -4.611 -2.598 1.00 11.24 C ATOM 995 CG TYR A2074 4.501 -5.427 -3.567 1.00 73.03 C ATOM 996 CD1 TYR A2074 4.697 -5.312 -4.928 1.00 73.21 C ATOM 997 CD2 TYR A2074 3.529 -6.278 -3.079 1.00 44.10 C ATOM 998 CE1 TYR A2074 3.890 -6.080 -5.839 1.00 61.14 C ATOM 999 CE2 TYR A2074 2.721 -7.046 -3.992 1.00 51.33 C ATOM 1000 CZ TYR A2074 2.942 -6.908 -5.327 1.00 51.11 C ATOM 1001 OH TYR A2074 2.179 -7.634 -6.189 1.00 32.40 O ATOM 0 H TYR A2074 6.701 -6.667 -2.490 1.00 11.25 H new ATOM 0 HA TYR A2074 7.084 -4.058 -3.828 1.00 53.43 H new ATOM 0 HB2 TYR A2074 5.214 -4.997 -1.589 1.00 11.24 H new ATOM 0 HB3 TYR A2074 5.004 -3.580 -2.598 1.00 11.24 H new ATOM 0 HD1 TYR A2074 5.456 -4.645 -5.310 1.00 73.21 H new ATOM 0 HD2 TYR A2074 3.375 -6.368 -2.014 1.00 44.10 H new ATOM 0 HE1 TYR A2074 4.035 -6.000 -6.906 1.00 61.14 H new ATOM 0 HE2 TYR A2074 1.957 -7.716 -3.625 1.00 51.33 H new ATOM 0 HH TYR A2074 1.544 -8.182 -5.682 1.00 32.40 H new ATOM 1011 N GLY A2075 8.189 -4.852 -0.933 1.00 72.13 N ATOM 1012 CA GLY A2075 8.953 -4.391 0.213 1.00 21.50 C ATOM 1013 C GLY A2075 9.829 -3.192 -0.156 1.00 24.25 C ATOM 1014 O GLY A2075 10.052 -2.304 0.665 1.00 70.10 O ATOM 0 H GLY A2075 8.133 -5.866 -1.029 1.00 72.13 H new ATOM 0 HA2 GLY A2075 8.274 -4.115 1.020 1.00 21.50 H new ATOM 0 HA3 GLY A2075 9.579 -5.201 0.587 1.00 21.50 H new ATOM 1018 N ARG A2076 10.303 -3.206 -1.393 1.00 53.22 N ATOM 1019 CA ARG A2076 11.150 -2.133 -1.883 1.00 55.20 C ATOM 1020 C ARG A2076 10.300 -0.923 -2.278 1.00 5.31 C ATOM 1021 O ARG A2076 10.668 0.215 -1.999 1.00 42.23 O ATOM 1022 CB ARG A2076 11.973 -2.586 -3.091 1.00 33.13 C ATOM 1023 CG ARG A2076 11.065 -2.931 -4.273 1.00 53.41 C ATOM 1024 CD ARG A2076 10.716 -1.679 -5.080 1.00 13.51 C ATOM 1025 NE ARG A2076 11.300 -1.772 -6.437 1.00 51.53 N ATOM 1026 CZ ARG A2076 12.525 -1.312 -6.768 1.00 11.02 C ATOM 1027 NH1 ARG A2076 13.308 -0.722 -5.840 1.00 53.11 N ATOM 1028 NH2 ARG A2076 12.946 -1.448 -8.012 1.00 24.04 N ATOM 0 H ARG A2076 10.116 -3.945 -2.071 1.00 53.22 H new ATOM 0 HA ARG A2076 11.831 -1.856 -1.078 1.00 55.20 H new ATOM 0 HB2 ARG A2076 12.668 -1.797 -3.379 1.00 33.13 H new ATOM 0 HB3 ARG A2076 12.572 -3.456 -2.822 1.00 33.13 H new ATOM 0 HG2 ARG A2076 11.561 -3.657 -4.917 1.00 53.41 H new ATOM 0 HG3 ARG A2076 10.151 -3.400 -3.909 1.00 53.41 H new ATOM 0 HD2 ARG A2076 9.634 -1.570 -5.148 1.00 13.51 H new ATOM 0 HD3 ARG A2076 11.095 -0.792 -4.572 1.00 13.51 H new ATOM 0 HE ARG A2076 10.741 -2.212 -7.168 1.00 51.53 H new ATOM 0 HH11 ARG A2076 12.975 -0.621 -4.881 1.00 53.11 H new ATOM 0 HH12 ARG A2076 14.233 -0.377 -6.098 1.00 53.11 H new ATOM 0 HH21 ARG A2076 12.348 -1.895 -8.707 1.00 24.04 H new ATOM 0 HH22 ARG A2076 13.869 -1.106 -8.278 1.00 24.04 H new ATOM 1040 N ASP A2077 9.177 -1.215 -2.921 1.00 50.33 N ATOM 1041 CA ASP A2077 8.273 -0.166 -3.357 1.00 41.03 C ATOM 1042 C ASP A2077 7.746 0.589 -2.136 1.00 35.10 C ATOM 1043 O ASP A2077 7.918 1.802 -2.030 1.00 53.40 O ATOM 1044 CB ASP A2077 7.073 -0.751 -4.106 1.00 53.00 C ATOM 1045 CG ASP A2077 7.333 -1.104 -5.570 1.00 51.45 C ATOM 1046 OD1 ASP A2077 7.243 -2.273 -5.972 1.00 40.25 O ATOM 1047 OD2 ASP A2077 7.648 -0.103 -6.325 1.00 20.23 O ATOM 0 H ASP A2077 8.874 -2.162 -3.149 1.00 50.33 H new ATOM 0 HA ASP A2077 8.824 0.500 -4.021 1.00 41.03 H new ATOM 0 HB2 ASP A2077 6.742 -1.649 -3.585 1.00 53.00 H new ATOM 0 HB3 ASP A2077 6.252 -0.035 -4.061 1.00 53.00 H new ATOM 1053 N LEU A2078 7.116 -0.161 -1.243 1.00 73.24 N ATOM 1054 CA LEU A2078 6.563 0.423 -0.032 1.00 72.34 C ATOM 1055 C LEU A2078 7.646 1.236 0.677 1.00 22.14 C ATOM 1056 O LEU A2078 7.393 2.351 1.131 1.00 54.34 O ATOM 1057 CB LEU A2078 5.933 -0.661 0.845 1.00 40.12 C ATOM 1058 CG LEU A2078 4.572 -1.188 0.387 1.00 31.34 C ATOM 1059 CD1 LEU A2078 4.670 -1.833 -0.996 1.00 73.44 C ATOM 1060 CD2 LEU A2078 3.975 -2.143 1.425 1.00 44.23 C ATOM 0 H LEU A2078 6.976 -1.167 -1.334 1.00 73.24 H new ATOM 0 HA LEU A2078 5.755 1.113 -0.275 1.00 72.34 H new ATOM 0 HB2 LEU A2078 6.625 -1.501 0.903 1.00 40.12 H new ATOM 0 HB3 LEU A2078 5.826 -0.266 1.855 1.00 40.12 H new ATOM 0 HG LEU A2078 3.891 -0.342 0.299 1.00 31.34 H new ATOM 0 HD11 LEU A2078 3.688 -2.199 -1.297 1.00 73.44 H new ATOM 0 HD12 LEU A2078 5.019 -1.095 -1.718 1.00 73.44 H new ATOM 0 HD13 LEU A2078 5.372 -2.666 -0.960 1.00 73.44 H new ATOM 0 HD21 LEU A2078 3.008 -2.503 1.074 1.00 44.23 H new ATOM 0 HD22 LEU A2078 4.646 -2.989 1.569 1.00 44.23 H new ATOM 0 HD23 LEU A2078 3.845 -1.617 2.371 1.00 44.23 H new ATOM 1072 N MET A2079 8.832 0.647 0.751 1.00 71.43 N ATOM 1073 CA MET A2079 9.955 1.302 1.398 1.00 33.30 C ATOM 1074 C MET A2079 10.153 2.717 0.850 1.00 61.31 C ATOM 1075 O MET A2079 10.269 3.673 1.617 1.00 45.34 O ATOM 1076 CB MET A2079 11.225 0.484 1.169 1.00 24.52 C ATOM 1077 CG MET A2079 11.780 -0.051 2.490 1.00 55.40 C ATOM 1078 SD MET A2079 12.259 -1.761 2.307 1.00 70.32 S ATOM 1079 CE MET A2079 11.643 -2.423 3.845 1.00 21.12 C ATOM 0 H MET A2079 9.038 -0.278 0.373 1.00 71.43 H new ATOM 0 HA MET A2079 9.745 1.371 2.465 1.00 33.30 H new ATOM 0 HB2 MET A2079 11.010 -0.347 0.498 1.00 24.52 H new ATOM 0 HB3 MET A2079 11.977 1.103 0.679 1.00 24.52 H new ATOM 0 HG2 MET A2079 12.639 0.544 2.800 1.00 55.40 H new ATOM 0 HG3 MET A2079 11.028 0.042 3.274 1.00 55.40 H new ATOM 0 HE1 MET A2079 11.860 -3.490 3.895 1.00 21.12 H new ATOM 0 HE2 MET A2079 12.126 -1.915 4.679 1.00 21.12 H new ATOM 0 HE3 MET A2079 10.565 -2.269 3.902 1.00 21.12 H new ATOM 1089 N GLU A2080 10.185 2.807 -0.471 1.00 23.04 N ATOM 1090 CA GLU A2080 10.368 4.088 -1.130 1.00 44.20 C ATOM 1091 C GLU A2080 9.113 4.950 -0.972 1.00 2.35 C ATOM 1092 O GLU A2080 9.202 6.122 -0.607 1.00 3.11 O ATOM 1093 CB GLU A2080 10.721 3.901 -2.607 1.00 3.01 C ATOM 1094 CG GLU A2080 10.986 5.248 -3.284 1.00 20.34 C ATOM 1095 CD GLU A2080 11.844 5.070 -4.539 1.00 52.43 C ATOM 1096 OE1 GLU A2080 11.396 4.450 -5.513 1.00 44.43 O ATOM 1097 OE2 GLU A2080 13.015 5.607 -4.477 1.00 3.44 O ATOM 0 H GLU A2080 10.087 2.013 -1.103 1.00 23.04 H new ATOM 0 HA GLU A2080 11.202 4.603 -0.654 1.00 44.20 H new ATOM 0 HB2 GLU A2080 11.602 3.266 -2.696 1.00 3.01 H new ATOM 0 HB3 GLU A2080 9.906 3.388 -3.117 1.00 3.01 H new ATOM 0 HG2 GLU A2080 10.039 5.718 -3.550 1.00 20.34 H new ATOM 0 HG3 GLU A2080 11.490 5.917 -2.586 1.00 20.34 H new ATOM 1105 N ALA A2081 7.973 4.336 -1.254 1.00 12.35 N ATOM 1106 CA ALA A2081 6.703 5.032 -1.148 1.00 33.23 C ATOM 1107 C ALA A2081 6.579 5.648 0.248 1.00 53.22 C ATOM 1108 O ALA A2081 6.181 6.804 0.386 1.00 51.44 O ATOM 1109 CB ALA A2081 5.562 4.063 -1.461 1.00 34.10 C ATOM 0 H ALA A2081 7.903 3.364 -1.556 1.00 12.35 H new ATOM 0 HA ALA A2081 6.649 5.844 -1.873 1.00 33.23 H new ATOM 0 HB1 ALA A2081 4.609 4.586 -1.381 1.00 34.10 H new ATOM 0 HB2 ALA A2081 5.680 3.676 -2.473 1.00 34.10 H new ATOM 0 HB3 ALA A2081 5.582 3.236 -0.752 1.00 34.10 H new ATOM 1115 N GLN A2082 6.927 4.850 1.244 1.00 21.43 N ATOM 1116 CA GLN A2082 6.860 5.302 2.624 1.00 74.50 C ATOM 1117 C GLN A2082 7.823 6.469 2.849 1.00 73.54 C ATOM 1118 O GLN A2082 7.514 7.400 3.591 1.00 14.22 O ATOM 1119 CB GLN A2082 7.155 4.155 3.594 1.00 2.13 C ATOM 1120 CG GLN A2082 7.103 4.636 5.044 1.00 70.45 C ATOM 1121 CD GLN A2082 5.690 4.497 5.616 1.00 13.25 C ATOM 1122 OE1 GLN A2082 4.727 4.252 4.909 1.00 71.03 O ATOM 1123 NE2 GLN A2082 5.621 4.669 6.935 1.00 71.53 N ATOM 0 H GLN A2082 7.257 3.892 1.124 1.00 21.43 H new ATOM 0 HA GLN A2082 5.846 5.649 2.821 1.00 74.50 H new ATOM 0 HB2 GLN A2082 6.430 3.354 3.447 1.00 2.13 H new ATOM 0 HB3 GLN A2082 8.139 3.738 3.381 1.00 2.13 H new ATOM 0 HG2 GLN A2082 7.803 4.058 5.648 1.00 70.45 H new ATOM 0 HG3 GLN A2082 7.420 5.677 5.097 1.00 70.45 H new ATOM 0 HE21 GLN A2082 6.467 4.872 7.468 1.00 71.53 H new ATOM 0 HE22 GLN A2082 4.722 4.598 7.412 1.00 71.53 H new ATOM 1132 N GLU A2083 8.969 6.384 2.189 1.00 51.20 N ATOM 1133 CA GLU A2083 9.979 7.422 2.305 1.00 72.43 C ATOM 1134 C GLU A2083 9.439 8.750 1.771 1.00 65.12 C ATOM 1135 O GLU A2083 9.768 9.814 2.293 1.00 2.12 O ATOM 1136 CB GLU A2083 11.265 7.020 1.581 1.00 74.45 C ATOM 1137 CG GLU A2083 11.640 8.053 0.515 1.00 25.33 C ATOM 1138 CD GLU A2083 12.974 7.702 -0.145 1.00 33.24 C ATOM 1139 OE1 GLU A2083 14.030 8.174 0.304 1.00 60.11 O ATOM 1140 OE2 GLU A2083 12.890 6.905 -1.155 1.00 31.22 O ATOM 0 H GLU A2083 9.220 5.612 1.572 1.00 51.20 H new ATOM 0 HA GLU A2083 10.221 7.550 3.360 1.00 72.43 H new ATOM 0 HB2 GLU A2083 12.077 6.924 2.301 1.00 74.45 H new ATOM 0 HB3 GLU A2083 11.135 6.043 1.116 1.00 74.45 H new ATOM 0 HG2 GLU A2083 10.857 8.100 -0.242 1.00 25.33 H new ATOM 0 HG3 GLU A2083 11.704 9.042 0.969 1.00 25.33 H new ATOM 1148 N TRP A2084 8.623 8.645 0.733 1.00 33.42 N ATOM 1149 CA TRP A2084 8.034 9.825 0.121 1.00 2.11 C ATOM 1150 C TRP A2084 6.892 10.304 1.022 1.00 45.45 C ATOM 1151 O TRP A2084 6.545 11.485 1.010 1.00 34.43 O ATOM 1152 CB TRP A2084 7.583 9.532 -1.310 1.00 45.21 C ATOM 1153 CG TRP A2084 8.734 9.264 -2.283 1.00 32.44 C ATOM 1154 CD1 TRP A2084 9.174 8.080 -2.731 1.00 43.52 C ATOM 1155 CD2 TRP A2084 9.578 10.251 -2.910 1.00 33.41 C ATOM 1156 NE1 TRP A2084 10.236 8.232 -3.600 1.00 51.45 N ATOM 1157 CE2 TRP A2084 10.489 9.595 -3.712 1.00 1.41 C ATOM 1158 CE3 TRP A2084 9.570 11.654 -2.806 1.00 23.44 C ATOM 1159 CZ2 TRP A2084 11.462 10.259 -4.470 1.00 34.22 C ATOM 1160 CZ3 TRP A2084 10.549 12.302 -3.569 1.00 13.32 C ATOM 1161 CH2 TRP A2084 11.473 11.657 -4.381 1.00 32.22 C ATOM 0 H TRP A2084 8.355 7.761 0.300 1.00 33.42 H new ATOM 0 HA TRP A2084 8.770 10.625 0.036 1.00 2.11 H new ATOM 0 HB2 TRP A2084 6.920 8.667 -1.301 1.00 45.21 H new ATOM 0 HB3 TRP A2084 7.000 10.377 -1.677 1.00 45.21 H new ATOM 0 HD1 TRP A2084 8.751 7.127 -2.448 1.00 43.52 H new ATOM 0 HE1 TRP A2084 10.742 7.483 -4.073 1.00 51.45 H new ATOM 0 HE3 TRP A2084 8.865 12.189 -2.187 1.00 23.44 H new ATOM 0 HZ2 TRP A2084 12.165 9.722 -5.089 1.00 34.22 H new ATOM 0 HZ3 TRP A2084 10.588 13.380 -3.523 1.00 13.32 H new ATOM 0 HH2 TRP A2084 12.197 12.231 -4.941 1.00 32.22 H new ATOM 1172 N CYS A2085 6.343 9.366 1.777 1.00 4.11 N ATOM 1173 CA CYS A2085 5.249 9.679 2.680 1.00 22.22 C ATOM 1174 C CYS A2085 5.804 10.510 3.838 1.00 75.25 C ATOM 1175 O CYS A2085 5.358 11.633 4.071 1.00 61.13 O ATOM 1176 CB CYS A2085 4.542 8.414 3.173 1.00 42.12 C ATOM 1177 SG CYS A2085 3.539 8.795 4.655 1.00 21.13 S ATOM 0 H CYS A2085 6.635 8.389 1.783 1.00 4.11 H new ATOM 0 HA CYS A2085 4.491 10.256 2.150 1.00 22.22 H new ATOM 0 HB2 CYS A2085 3.904 8.014 2.385 1.00 42.12 H new ATOM 0 HB3 CYS A2085 5.277 7.645 3.409 1.00 42.12 H new ATOM 0 HG CYS A2085 2.278 8.797 4.337 1.00 21.13 H new ATOM 1183 N ARG A2086 6.769 9.928 4.533 1.00 72.23 N ATOM 1184 CA ARG A2086 7.390 10.601 5.661 1.00 13.13 C ATOM 1185 C ARG A2086 8.166 11.831 5.185 1.00 34.30 C ATOM 1186 O ARG A2086 8.321 12.797 5.928 1.00 20.01 O ATOM 1187 CB ARG A2086 8.342 9.664 6.406 1.00 3.33 C ATOM 1188 CG ARG A2086 9.629 9.442 5.607 1.00 21.33 C ATOM 1189 CD ARG A2086 10.054 7.972 5.650 1.00 62.21 C ATOM 1190 NE ARG A2086 10.165 7.517 7.054 1.00 61.14 N ATOM 1191 CZ ARG A2086 11.284 7.632 7.801 1.00 61.35 C ATOM 1192 NH1 ARG A2086 12.400 8.188 7.282 1.00 64.51 N ATOM 1193 NH2 ARG A2086 11.271 7.191 9.045 1.00 25.12 N ATOM 0 H ARG A2086 7.137 8.997 4.337 1.00 72.23 H new ATOM 0 HA ARG A2086 6.595 10.909 6.341 1.00 13.13 H new ATOM 0 HB2 ARG A2086 8.583 10.086 7.382 1.00 3.33 H new ATOM 0 HB3 ARG A2086 7.851 8.707 6.585 1.00 3.33 H new ATOM 0 HG2 ARG A2086 9.477 9.750 4.573 1.00 21.33 H new ATOM 0 HG3 ARG A2086 10.425 10.067 6.012 1.00 21.33 H new ATOM 0 HD2 ARG A2086 9.327 7.359 5.117 1.00 62.21 H new ATOM 0 HD3 ARG A2086 11.010 7.847 5.142 1.00 62.21 H new ATOM 0 HE ARG A2086 9.345 7.090 7.484 1.00 61.14 H new ATOM 0 HH11 ARG A2086 12.402 8.525 6.319 1.00 64.51 H new ATOM 0 HH12 ARG A2086 13.241 8.271 7.853 1.00 64.51 H new ATOM 0 HH21 ARG A2086 10.424 6.771 9.428 1.00 25.12 H new ATOM 0 HH22 ARG A2086 12.108 7.270 9.623 1.00 25.12 H new ATOM 1205 N LYS A2087 8.632 11.753 3.947 1.00 10.43 N ATOM 1206 CA LYS A2087 9.387 12.847 3.362 1.00 62.01 C ATOM 1207 C LYS A2087 8.449 14.030 3.107 1.00 63.51 C ATOM 1208 O LYS A2087 8.834 15.182 3.296 1.00 64.15 O ATOM 1209 CB LYS A2087 10.135 12.375 2.113 1.00 61.23 C ATOM 1210 CG LYS A2087 10.738 13.560 1.354 1.00 22.42 C ATOM 1211 CD LYS A2087 9.887 13.920 0.135 1.00 52.14 C ATOM 1212 CE LYS A2087 9.337 15.343 0.253 1.00 74.41 C ATOM 1213 NZ LYS A2087 10.004 16.240 -0.715 1.00 21.01 N ATOM 0 H LYS A2087 8.501 10.949 3.333 1.00 10.43 H new ATOM 0 HA LYS A2087 10.155 13.192 4.054 1.00 62.01 H new ATOM 0 HB2 LYS A2087 10.926 11.681 2.399 1.00 61.23 H new ATOM 0 HB3 LYS A2087 9.453 11.830 1.461 1.00 61.23 H new ATOM 0 HG2 LYS A2087 10.812 14.422 2.017 1.00 22.42 H new ATOM 0 HG3 LYS A2087 11.751 13.315 1.035 1.00 22.42 H new ATOM 0 HD2 LYS A2087 10.487 13.832 -0.771 1.00 52.14 H new ATOM 0 HD3 LYS A2087 9.062 13.214 0.041 1.00 52.14 H new ATOM 0 HE2 LYS A2087 8.262 15.339 0.073 1.00 74.41 H new ATOM 0 HE3 LYS A2087 9.489 15.715 1.266 1.00 74.41 H new ATOM 0 HZ1 LYS A2087 9.416 17.084 -0.868 1.00 21.01 H new ATOM 0 HZ2 LYS A2087 10.931 16.527 -0.341 1.00 21.01 H new ATOM 0 HZ3 LYS A2087 10.135 15.741 -1.618 1.00 21.01 H new ATOM 1226 N TYR A2088 7.238 13.702 2.681 1.00 35.13 N ATOM 1227 CA TYR A2088 6.244 14.723 2.400 1.00 44.34 C ATOM 1228 C TYR A2088 5.633 15.265 3.693 1.00 51.13 C ATOM 1229 O TYR A2088 5.410 16.468 3.820 1.00 14.50 O ATOM 1230 CB TYR A2088 5.148 14.030 1.585 1.00 45.32 C ATOM 1231 CG TYR A2088 3.798 14.746 1.622 1.00 50.33 C ATOM 1232 CD1 TYR A2088 3.576 15.845 0.819 1.00 42.54 C ATOM 1233 CD2 TYR A2088 2.798 14.292 2.460 1.00 1.45 C ATOM 1234 CE1 TYR A2088 2.305 16.520 0.854 1.00 35.41 C ATOM 1235 CE2 TYR A2088 1.528 14.967 2.496 1.00 64.50 C ATOM 1236 CZ TYR A2088 1.343 16.046 1.691 1.00 0.24 C ATOM 1237 OH TYR A2088 0.140 16.684 1.725 1.00 42.31 O ATOM 0 H TYR A2088 6.923 12.745 2.524 1.00 35.13 H new ATOM 0 HA TYR A2088 6.695 15.562 1.869 1.00 44.34 H new ATOM 0 HB2 TYR A2088 5.476 13.949 0.549 1.00 45.32 H new ATOM 0 HB3 TYR A2088 5.019 13.014 1.959 1.00 45.32 H new ATOM 0 HD1 TYR A2088 4.357 16.200 0.163 1.00 42.54 H new ATOM 0 HD2 TYR A2088 2.970 13.430 3.088 1.00 1.45 H new ATOM 0 HE1 TYR A2088 2.120 17.382 0.231 1.00 35.41 H new ATOM 0 HE2 TYR A2088 0.739 14.624 3.149 1.00 64.50 H new ATOM 0 HH TYR A2088 -0.450 16.236 2.366 1.00 42.31 H new ATOM 1247 N MET A2089 5.379 14.352 4.618 1.00 50.43 N ATOM 1248 CA MET A2089 4.799 14.725 5.897 1.00 52.23 C ATOM 1249 C MET A2089 5.707 15.700 6.648 1.00 53.43 C ATOM 1250 O MET A2089 5.236 16.691 7.206 1.00 62.44 O ATOM 1251 CB MET A2089 4.584 13.471 6.747 1.00 44.43 C ATOM 1252 CG MET A2089 3.386 12.666 6.241 1.00 11.24 C ATOM 1253 SD MET A2089 2.614 11.804 7.601 1.00 24.43 S ATOM 1254 CE MET A2089 0.900 12.174 7.268 1.00 14.11 C ATOM 0 H MET A2089 5.564 13.355 4.508 1.00 50.43 H new ATOM 0 HA MET A2089 3.844 15.217 5.711 1.00 52.23 H new ATOM 0 HB2 MET A2089 5.480 12.851 6.721 1.00 44.43 H new ATOM 0 HB3 MET A2089 4.423 13.755 7.787 1.00 44.43 H new ATOM 0 HG2 MET A2089 2.665 13.331 5.765 1.00 11.24 H new ATOM 0 HG3 MET A2089 3.710 11.952 5.484 1.00 11.24 H new ATOM 0 HE1 MET A2089 0.299 11.276 7.412 1.00 14.11 H new ATOM 0 HE2 MET A2089 0.557 12.953 7.949 1.00 14.11 H new ATOM 0 HE3 MET A2089 0.795 12.519 6.239 1.00 14.11 H new ATOM 1264 N LYS A2090 6.995 15.389 6.638 1.00 73.43 N ATOM 1265 CA LYS A2090 7.973 16.226 7.312 1.00 75.12 C ATOM 1266 C LYS A2090 7.920 17.637 6.725 1.00 15.43 C ATOM 1267 O LYS A2090 7.707 18.607 7.451 1.00 32.22 O ATOM 1268 CB LYS A2090 9.360 15.584 7.247 1.00 45.31 C ATOM 1269 CG LYS A2090 10.170 15.899 8.507 1.00 50.23 C ATOM 1270 CD LYS A2090 10.657 17.351 8.497 1.00 4.34 C ATOM 1271 CE LYS A2090 10.751 17.906 9.920 1.00 71.21 C ATOM 1272 NZ LYS A2090 11.616 19.106 9.951 1.00 62.55 N ATOM 0 H LYS A2090 7.384 14.568 6.173 1.00 73.43 H new ATOM 0 HA LYS A2090 7.736 16.313 8.372 1.00 75.12 H new ATOM 0 HB2 LYS A2090 9.260 14.504 7.135 1.00 45.31 H new ATOM 0 HB3 LYS A2090 9.892 15.948 6.368 1.00 45.31 H new ATOM 0 HG2 LYS A2090 9.557 15.723 9.391 1.00 50.23 H new ATOM 0 HG3 LYS A2090 11.024 15.225 8.572 1.00 50.23 H new ATOM 0 HD2 LYS A2090 11.633 17.408 8.015 1.00 4.34 H new ATOM 0 HD3 LYS A2090 9.974 17.964 7.908 1.00 4.34 H new ATOM 0 HE2 LYS A2090 9.755 18.158 10.285 1.00 71.21 H new ATOM 0 HE3 LYS A2090 11.152 17.144 10.588 1.00 71.21 H new ATOM 0 HZ1 LYS A2090 11.669 19.470 10.924 1.00 62.55 H new ATOM 0 HZ2 LYS A2090 12.570 18.855 9.623 1.00 62.55 H new ATOM 0 HZ3 LYS A2090 11.217 19.838 9.329 1.00 62.55 H new ATOM 1285 N SER A2091 8.117 17.709 5.417 1.00 61.21 N ATOM 1286 CA SER A2091 8.094 18.986 4.726 1.00 30.51 C ATOM 1287 C SER A2091 8.376 18.779 3.236 1.00 71.25 C ATOM 1288 O SER A2091 9.503 18.970 2.782 1.00 5.43 O ATOM 1289 CB SER A2091 9.110 19.957 5.328 1.00 73.13 C ATOM 1290 OG SER A2091 8.531 21.228 5.615 1.00 23.45 O ATOM 0 H SER A2091 8.293 16.903 4.817 1.00 61.21 H new ATOM 0 HA SER A2091 7.102 19.421 4.845 1.00 30.51 H new ATOM 0 HB2 SER A2091 9.520 19.531 6.244 1.00 73.13 H new ATOM 0 HB3 SER A2091 9.942 20.086 4.636 1.00 73.13 H new ATOM 0 HG SER A2091 9.212 21.818 6.000 1.00 23.45 H new ATOM 1296 N GLY A2092 7.332 18.392 2.517 1.00 42.35 N ATOM 1297 CA GLY A2092 7.454 18.159 1.087 1.00 13.03 C ATOM 1298 C GLY A2092 6.328 18.855 0.321 1.00 22.34 C ATOM 1299 O GLY A2092 5.952 19.980 0.648 1.00 32.45 O ATOM 0 H GLY A2092 6.399 18.234 2.897 1.00 42.35 H new ATOM 0 HA2 GLY A2092 8.419 18.526 0.736 1.00 13.03 H new ATOM 0 HA3 GLY A2092 7.428 17.088 0.886 1.00 13.03 H new ATOM 1303 N ASN A2093 5.822 18.157 -0.687 1.00 15.20 N ATOM 1304 CA ASN A2093 4.747 18.694 -1.503 1.00 31.21 C ATOM 1305 C ASN A2093 3.880 17.544 -2.018 1.00 42.44 C ATOM 1306 O ASN A2093 4.323 16.396 -2.056 1.00 55.52 O ATOM 1307 CB ASN A2093 5.300 19.451 -2.714 1.00 34.13 C ATOM 1308 CG ASN A2093 4.879 20.920 -2.681 1.00 12.04 C ATOM 1309 OD1 ASN A2093 4.525 21.470 -1.650 1.00 71.22 O ATOM 1310 ND2 ASN A2093 4.936 21.525 -3.865 1.00 75.14 N ATOM 0 H ASN A2093 6.137 17.225 -0.956 1.00 15.20 H new ATOM 0 HA ASN A2093 4.164 19.378 -0.886 1.00 31.21 H new ATOM 0 HB2 ASN A2093 6.388 19.381 -2.725 1.00 34.13 H new ATOM 0 HB3 ASN A2093 4.941 18.987 -3.633 1.00 34.13 H new ATOM 0 HD21 ASN A2093 4.675 22.507 -3.949 1.00 75.14 H new ATOM 0 HD22 ASN A2093 5.241 21.006 -4.689 1.00 75.14 H new ATOM 1317 N VAL A2094 2.661 17.890 -2.404 1.00 31.43 N ATOM 1318 CA VAL A2094 1.727 16.900 -2.915 1.00 43.50 C ATOM 1319 C VAL A2094 2.446 16.002 -3.925 1.00 42.54 C ATOM 1320 O VAL A2094 2.190 14.802 -3.988 1.00 33.15 O ATOM 1321 CB VAL A2094 0.497 17.595 -3.501 1.00 52.12 C ATOM 1322 CG1 VAL A2094 0.630 17.757 -5.016 1.00 72.13 C ATOM 1323 CG2 VAL A2094 -0.782 16.838 -3.142 1.00 24.11 C ATOM 0 H VAL A2094 2.298 18.843 -2.373 1.00 31.43 H new ATOM 0 HA VAL A2094 1.368 16.260 -2.109 1.00 43.50 H new ATOM 0 HB VAL A2094 0.433 18.590 -3.061 1.00 52.12 H new ATOM 0 HG11 VAL A2094 -0.257 18.254 -5.408 1.00 72.13 H new ATOM 0 HG12 VAL A2094 1.511 18.357 -5.242 1.00 72.13 H new ATOM 0 HG13 VAL A2094 0.731 16.776 -5.479 1.00 72.13 H new ATOM 0 HG21 VAL A2094 -1.642 17.353 -3.571 1.00 24.11 H new ATOM 0 HG22 VAL A2094 -0.729 15.825 -3.541 1.00 24.11 H new ATOM 0 HG23 VAL A2094 -0.888 16.796 -2.058 1.00 24.11 H new ATOM 1333 N LYS A2095 3.334 16.621 -4.692 1.00 72.51 N ATOM 1334 CA LYS A2095 4.091 15.895 -5.696 1.00 34.32 C ATOM 1335 C LYS A2095 4.698 14.641 -5.063 1.00 71.00 C ATOM 1336 O LYS A2095 4.569 13.544 -5.602 1.00 61.10 O ATOM 1337 CB LYS A2095 5.122 16.810 -6.357 1.00 44.41 C ATOM 1338 CG LYS A2095 5.888 16.071 -7.457 1.00 75.34 C ATOM 1339 CD LYS A2095 7.398 16.175 -7.237 1.00 44.41 C ATOM 1340 CE LYS A2095 8.117 14.938 -7.778 1.00 65.30 C ATOM 1341 NZ LYS A2095 8.722 15.226 -9.099 1.00 22.34 N ATOM 0 H LYS A2095 3.545 17.617 -4.637 1.00 72.51 H new ATOM 0 HA LYS A2095 3.434 15.562 -6.500 1.00 34.32 H new ATOM 0 HB2 LYS A2095 4.622 17.681 -6.780 1.00 44.41 H new ATOM 0 HB3 LYS A2095 5.821 17.177 -5.606 1.00 44.41 H new ATOM 0 HG2 LYS A2095 5.590 15.023 -7.471 1.00 75.34 H new ATOM 0 HG3 LYS A2095 5.629 16.489 -8.430 1.00 75.34 H new ATOM 0 HD2 LYS A2095 7.781 17.068 -7.732 1.00 44.41 H new ATOM 0 HD3 LYS A2095 7.607 16.286 -6.173 1.00 44.41 H new ATOM 0 HE2 LYS A2095 8.891 14.625 -7.077 1.00 65.30 H new ATOM 0 HE3 LYS A2095 7.413 14.111 -7.866 1.00 65.30 H new ATOM 0 HZ1 LYS A2095 9.206 14.376 -9.452 1.00 22.34 H new ATOM 0 HZ2 LYS A2095 7.977 15.503 -9.769 1.00 22.34 H new ATOM 0 HZ3 LYS A2095 9.409 16.001 -9.005 1.00 22.34 H new ATOM 1354 N ASP A2096 5.348 14.846 -3.926 1.00 42.24 N ATOM 1355 CA ASP A2096 5.975 13.746 -3.212 1.00 61.52 C ATOM 1356 C ASP A2096 4.895 12.775 -2.730 1.00 41.15 C ATOM 1357 O ASP A2096 5.082 11.562 -2.776 1.00 3.40 O ATOM 1358 CB ASP A2096 6.739 14.250 -1.987 1.00 44.51 C ATOM 1359 CG ASP A2096 7.749 15.366 -2.269 1.00 11.31 C ATOM 1360 OD1 ASP A2096 8.761 15.154 -2.954 1.00 71.40 O ATOM 1361 OD2 ASP A2096 7.459 16.507 -1.745 1.00 74.45 O ATOM 0 H ASP A2096 5.454 15.758 -3.482 1.00 42.24 H new ATOM 0 HA ASP A2096 6.670 13.254 -3.893 1.00 61.52 H new ATOM 0 HB2 ASP A2096 6.020 14.609 -1.251 1.00 44.51 H new ATOM 0 HB3 ASP A2096 7.266 13.410 -1.535 1.00 44.51 H new ATOM 1367 N LEU A2097 3.789 13.348 -2.278 1.00 61.55 N ATOM 1368 CA LEU A2097 2.679 12.549 -1.787 1.00 61.01 C ATOM 1369 C LEU A2097 2.134 11.685 -2.927 1.00 14.42 C ATOM 1370 O LEU A2097 1.909 10.489 -2.750 1.00 4.23 O ATOM 1371 CB LEU A2097 1.622 13.443 -1.136 1.00 3.33 C ATOM 1372 CG LEU A2097 0.247 12.806 -0.917 1.00 21.10 C ATOM 1373 CD1 LEU A2097 0.380 11.325 -0.558 1.00 54.52 C ATOM 1374 CD2 LEU A2097 -0.555 13.582 0.130 1.00 65.54 C ATOM 0 H LEU A2097 3.638 14.356 -2.242 1.00 61.55 H new ATOM 0 HA LEU A2097 3.016 11.870 -1.004 1.00 61.01 H new ATOM 0 HB2 LEU A2097 2.003 13.779 -0.171 1.00 3.33 H new ATOM 0 HB3 LEU A2097 1.495 14.331 -1.755 1.00 3.33 H new ATOM 0 HG LEU A2097 -0.309 12.860 -1.853 1.00 21.10 H new ATOM 0 HD11 LEU A2097 -0.611 10.897 -0.408 1.00 54.52 H new ATOM 0 HD12 LEU A2097 0.884 10.798 -1.368 1.00 54.52 H new ATOM 0 HD13 LEU A2097 0.962 11.224 0.358 1.00 54.52 H new ATOM 0 HD21 LEU A2097 -1.528 13.109 0.267 1.00 65.54 H new ATOM 0 HD22 LEU A2097 -0.014 13.581 1.077 1.00 65.54 H new ATOM 0 HD23 LEU A2097 -0.695 14.609 -0.207 1.00 65.54 H new ATOM 1386 N THR A2098 1.941 12.325 -4.071 1.00 61.32 N ATOM 1387 CA THR A2098 1.428 11.628 -5.238 1.00 42.53 C ATOM 1388 C THR A2098 2.358 10.475 -5.624 1.00 72.23 C ATOM 1389 O THR A2098 1.894 9.400 -6.001 1.00 61.32 O ATOM 1390 CB THR A2098 1.240 12.658 -6.357 1.00 2.41 C ATOM 1391 OG1 THR A2098 0.050 13.353 -5.992 1.00 3.31 O ATOM 1392 CG2 THR A2098 0.896 12.007 -7.698 1.00 53.35 C ATOM 0 H THR A2098 2.130 13.317 -4.214 1.00 61.32 H new ATOM 0 HA THR A2098 0.462 11.168 -5.031 1.00 42.53 H new ATOM 0 HB THR A2098 2.149 13.250 -6.463 1.00 2.41 H new ATOM 0 HG1 THR A2098 -0.146 14.041 -6.662 1.00 3.31 H new ATOM 0 HG21 THR A2098 0.773 12.780 -8.457 1.00 53.35 H new ATOM 0 HG22 THR A2098 1.701 11.334 -7.993 1.00 53.35 H new ATOM 0 HG23 THR A2098 -0.032 11.443 -7.601 1.00 53.35 H new ATOM 1400 N GLN A2099 3.650 10.740 -5.516 1.00 42.31 N ATOM 1401 CA GLN A2099 4.648 9.737 -5.848 1.00 13.33 C ATOM 1402 C GLN A2099 4.484 8.506 -4.954 1.00 64.42 C ATOM 1403 O GLN A2099 4.428 7.379 -5.447 1.00 15.43 O ATOM 1404 CB GLN A2099 6.062 10.311 -5.732 1.00 34.01 C ATOM 1405 CG GLN A2099 6.807 10.209 -7.065 1.00 2.10 C ATOM 1406 CD GLN A2099 8.320 10.178 -6.845 1.00 44.24 C ATOM 1407 OE1 GLN A2099 8.842 10.686 -5.868 1.00 43.33 O ATOM 1408 NE2 GLN A2099 8.994 9.559 -7.810 1.00 23.20 N ATOM 0 H GLN A2099 4.030 11.634 -5.204 1.00 42.31 H new ATOM 0 HA GLN A2099 4.496 9.433 -6.884 1.00 13.33 H new ATOM 0 HB2 GLN A2099 6.010 11.354 -5.419 1.00 34.01 H new ATOM 0 HB3 GLN A2099 6.614 9.774 -4.961 1.00 34.01 H new ATOM 0 HG2 GLN A2099 6.494 9.308 -7.593 1.00 2.10 H new ATOM 0 HG3 GLN A2099 6.545 11.057 -7.698 1.00 2.10 H new ATOM 0 HE21 GLN A2099 8.495 9.155 -8.602 1.00 23.20 H new ATOM 0 HE22 GLN A2099 10.010 9.489 -7.758 1.00 23.20 H new ATOM 1417 N ALA A2100 4.407 8.762 -3.656 1.00 71.41 N ATOM 1418 CA ALA A2100 4.248 7.688 -2.690 1.00 35.42 C ATOM 1419 C ALA A2100 3.033 6.840 -3.072 1.00 45.41 C ATOM 1420 O ALA A2100 3.121 5.615 -3.134 1.00 70.11 O ATOM 1421 CB ALA A2100 4.126 8.280 -1.285 1.00 13.41 C ATOM 0 H ALA A2100 4.452 9.697 -3.251 1.00 71.41 H new ATOM 0 HA ALA A2100 5.121 7.035 -2.695 1.00 35.42 H new ATOM 0 HB1 ALA A2100 4.007 7.475 -0.560 1.00 13.41 H new ATOM 0 HB2 ALA A2100 5.026 8.849 -1.051 1.00 13.41 H new ATOM 0 HB3 ALA A2100 3.259 8.939 -1.242 1.00 13.41 H new ATOM 1427 N TRP A2101 1.926 7.525 -3.321 1.00 35.33 N ATOM 1428 CA TRP A2101 0.696 6.850 -3.695 1.00 21.13 C ATOM 1429 C TRP A2101 0.953 6.085 -4.994 1.00 71.11 C ATOM 1430 O TRP A2101 0.437 4.984 -5.182 1.00 61.31 O ATOM 1431 CB TRP A2101 -0.464 7.844 -3.805 1.00 10.14 C ATOM 1432 CG TRP A2101 -1.600 7.586 -2.813 1.00 32.34 C ATOM 1433 CD1 TRP A2101 -2.128 8.437 -1.924 1.00 44.14 C ATOM 1434 CD2 TRP A2101 -2.331 6.352 -2.644 1.00 74.41 C ATOM 1435 NE1 TRP A2101 -3.143 7.847 -1.198 1.00 41.33 N ATOM 1436 CE2 TRP A2101 -3.269 6.538 -1.649 1.00 42.24 C ATOM 1437 CE3 TRP A2101 -2.202 5.120 -3.308 1.00 64.15 C ATOM 1438 CZ2 TRP A2101 -4.153 5.535 -1.231 1.00 72.02 C ATOM 1439 CZ3 TRP A2101 -3.093 4.129 -2.879 1.00 53.04 C ATOM 1440 CH2 TRP A2101 -4.044 4.300 -1.879 1.00 45.42 C ATOM 0 H TRP A2101 1.856 8.541 -3.271 1.00 35.33 H new ATOM 0 HA TRP A2101 0.397 6.138 -2.925 1.00 21.13 H new ATOM 0 HB2 TRP A2101 -0.081 8.852 -3.649 1.00 10.14 H new ATOM 0 HB3 TRP A2101 -0.865 7.808 -4.818 1.00 10.14 H new ATOM 0 HD1 TRP A2101 -1.801 9.458 -1.792 1.00 44.14 H new ATOM 0 HE1 TRP A2101 -3.698 8.290 -0.466 1.00 41.33 H new ATOM 0 HE3 TRP A2101 -1.473 4.951 -4.087 1.00 64.15 H new ATOM 0 HZ2 TRP A2101 -4.880 5.706 -0.450 1.00 72.02 H new ATOM 0 HZ3 TRP A2101 -3.038 3.163 -3.359 1.00 53.04 H new ATOM 0 HH2 TRP A2101 -4.695 3.483 -1.604 1.00 45.42 H new ATOM 1451 N ASP A2102 1.749 6.697 -5.856 1.00 54.34 N ATOM 1452 CA ASP A2102 2.081 6.088 -7.133 1.00 65.33 C ATOM 1453 C ASP A2102 2.729 4.723 -6.889 1.00 50.15 C ATOM 1454 O ASP A2102 2.309 3.721 -7.466 1.00 73.52 O ATOM 1455 CB ASP A2102 3.076 6.950 -7.913 1.00 44.22 C ATOM 1456 CG ASP A2102 2.871 6.965 -9.430 1.00 34.05 C ATOM 1457 OD1 ASP A2102 2.280 6.036 -10.003 1.00 33.14 O ATOM 1458 OD2 ASP A2102 3.354 7.995 -10.036 1.00 10.34 O ATOM 0 H ASP A2102 2.175 7.610 -5.696 1.00 54.34 H new ATOM 0 HA ASP A2102 1.161 5.989 -7.708 1.00 65.33 H new ATOM 0 HB2 ASP A2102 3.014 7.974 -7.543 1.00 44.22 H new ATOM 0 HB3 ASP A2102 4.085 6.595 -7.702 1.00 44.22 H new ATOM 1464 N LEU A2103 3.740 4.729 -6.033 1.00 70.03 N ATOM 1465 CA LEU A2103 4.449 3.503 -5.705 1.00 33.03 C ATOM 1466 C LEU A2103 3.448 2.455 -5.216 1.00 51.22 C ATOM 1467 O LEU A2103 3.399 1.344 -5.743 1.00 51.43 O ATOM 1468 CB LEU A2103 5.577 3.787 -4.712 1.00 1.02 C ATOM 1469 CG LEU A2103 6.851 4.397 -5.300 1.00 12.40 C ATOM 1470 CD1 LEU A2103 6.662 5.887 -5.589 1.00 12.04 C ATOM 1471 CD2 LEU A2103 8.054 4.137 -4.391 1.00 53.12 C ATOM 0 H LEU A2103 4.085 5.562 -5.557 1.00 70.03 H new ATOM 0 HA LEU A2103 4.932 3.093 -6.592 1.00 33.03 H new ATOM 0 HB2 LEU A2103 5.197 4.460 -3.944 1.00 1.02 H new ATOM 0 HB3 LEU A2103 5.841 2.853 -4.216 1.00 1.02 H new ATOM 0 HG LEU A2103 7.056 3.908 -6.252 1.00 12.40 H new ATOM 0 HD11 LEU A2103 7.582 6.296 -6.006 1.00 12.04 H new ATOM 0 HD12 LEU A2103 5.849 6.019 -6.304 1.00 12.04 H new ATOM 0 HD13 LEU A2103 6.420 6.409 -4.663 1.00 12.04 H new ATOM 0 HD21 LEU A2103 8.946 4.581 -4.832 1.00 53.12 H new ATOM 0 HD22 LEU A2103 7.873 4.582 -3.412 1.00 53.12 H new ATOM 0 HD23 LEU A2103 8.201 3.063 -4.280 1.00 53.12 H new ATOM 1483 N TYR A2104 2.673 2.846 -4.215 1.00 0.04 N ATOM 1484 CA TYR A2104 1.676 1.953 -3.649 1.00 21.32 C ATOM 1485 C TYR A2104 0.733 1.426 -4.733 1.00 4.42 C ATOM 1486 O TYR A2104 0.569 0.216 -4.883 1.00 73.50 O ATOM 1487 CB TYR A2104 0.873 2.795 -2.656 1.00 23.35 C ATOM 1488 CG TYR A2104 1.640 3.159 -1.385 1.00 43.25 C ATOM 1489 CD1 TYR A2104 2.511 2.249 -0.820 1.00 41.40 C ATOM 1490 CD2 TYR A2104 1.461 4.398 -0.801 1.00 42.12 C ATOM 1491 CE1 TYR A2104 3.234 2.592 0.376 1.00 34.32 C ATOM 1492 CE2 TYR A2104 2.184 4.740 0.396 1.00 12.31 C ATOM 1493 CZ TYR A2104 3.035 3.820 0.926 1.00 41.45 C ATOM 1494 OH TYR A2104 3.718 4.145 2.057 1.00 53.31 O ATOM 0 H TYR A2104 2.715 3.768 -3.782 1.00 0.04 H new ATOM 0 HA TYR A2104 2.153 1.093 -3.179 1.00 21.32 H new ATOM 0 HB2 TYR A2104 0.552 3.712 -3.150 1.00 23.35 H new ATOM 0 HB3 TYR A2104 -0.029 2.250 -2.380 1.00 23.35 H new ATOM 0 HD1 TYR A2104 2.650 1.280 -1.276 1.00 41.40 H new ATOM 0 HD2 TYR A2104 0.779 5.110 -1.242 1.00 42.12 H new ATOM 0 HE1 TYR A2104 3.920 1.890 0.827 1.00 34.32 H new ATOM 0 HE2 TYR A2104 2.054 5.705 0.863 1.00 12.31 H new ATOM 0 HH TYR A2104 3.476 5.053 2.335 1.00 53.31 H new ATOM 1504 N TYR A2105 0.139 2.360 -5.461 1.00 14.31 N ATOM 1505 CA TYR A2105 -0.783 2.005 -6.525 1.00 73.24 C ATOM 1506 C TYR A2105 -0.181 0.932 -7.436 1.00 73.01 C ATOM 1507 O TYR A2105 -0.887 0.030 -7.886 1.00 43.03 O ATOM 1508 CB TYR A2105 -1.000 3.283 -7.339 1.00 73.44 C ATOM 1509 CG TYR A2105 -2.379 3.377 -7.996 1.00 74.21 C ATOM 1510 CD1 TYR A2105 -3.053 2.227 -8.353 1.00 32.40 C ATOM 1511 CD2 TYR A2105 -2.949 4.611 -8.230 1.00 64.23 C ATOM 1512 CE1 TYR A2105 -4.350 2.314 -8.969 1.00 70.25 C ATOM 1513 CE2 TYR A2105 -4.248 4.699 -8.848 1.00 62.22 C ATOM 1514 CZ TYR A2105 -4.884 3.547 -9.188 1.00 24.10 C ATOM 1515 OH TYR A2105 -6.110 3.628 -9.770 1.00 75.05 O ATOM 0 H TYR A2105 0.279 3.362 -5.334 1.00 14.31 H new ATOM 0 HA TYR A2105 -1.711 1.609 -6.113 1.00 73.24 H new ATOM 0 HB2 TYR A2105 -0.860 4.145 -6.687 1.00 73.44 H new ATOM 0 HB3 TYR A2105 -0.235 3.342 -8.113 1.00 73.44 H new ATOM 0 HD1 TYR A2105 -2.606 1.261 -8.170 1.00 32.40 H new ATOM 0 HD2 TYR A2105 -2.422 5.511 -7.950 1.00 64.23 H new ATOM 0 HE1 TYR A2105 -4.888 1.421 -9.251 1.00 70.25 H new ATOM 0 HE2 TYR A2105 -4.706 5.659 -9.037 1.00 62.22 H new ATOM 0 HH TYR A2105 -6.366 4.569 -9.864 1.00 75.05 H new ATOM 1525 N HIS A2106 1.114 1.066 -7.679 1.00 61.33 N ATOM 1526 CA HIS A2106 1.817 0.119 -8.527 1.00 71.41 C ATOM 1527 C HIS A2106 1.737 -1.281 -7.912 1.00 71.25 C ATOM 1528 O HIS A2106 1.302 -2.226 -8.567 1.00 74.31 O ATOM 1529 CB HIS A2106 3.257 0.575 -8.774 1.00 73.45 C ATOM 1530 CG HIS A2106 3.482 1.185 -10.137 1.00 73.43 C ATOM 1531 ND1 HIS A2106 3.456 2.552 -10.360 1.00 34.21 N ATOM 1532 CD2 HIS A2106 3.737 0.603 -11.344 1.00 1.32 C ATOM 1533 CE1 HIS A2106 3.686 2.769 -11.648 1.00 10.34 C ATOM 1534 NE2 HIS A2106 3.860 1.560 -12.255 1.00 12.33 N ATOM 0 H HIS A2106 1.695 1.816 -7.304 1.00 61.33 H new ATOM 0 HA HIS A2106 1.337 0.077 -9.505 1.00 71.41 H new ATOM 0 HB2 HIS A2106 3.533 1.303 -8.011 1.00 73.45 H new ATOM 0 HB3 HIS A2106 3.923 -0.279 -8.655 1.00 73.45 H new ATOM 0 HD2 HIS A2106 3.824 -0.458 -11.527 1.00 1.32 H new ATOM 0 HE1 HIS A2106 3.728 3.734 -12.131 1.00 10.34 H new ATOM 0 HE2 HIS A2106 4.053 1.415 -13.246 1.00 12.33 H new ATOM 1543 N VAL A2107 2.162 -1.366 -6.660 1.00 15.32 N ATOM 1544 CA VAL A2107 2.143 -2.634 -5.949 1.00 52.25 C ATOM 1545 C VAL A2107 0.695 -3.079 -5.748 1.00 72.52 C ATOM 1546 O VAL A2107 0.343 -4.219 -6.052 1.00 2.14 O ATOM 1547 CB VAL A2107 2.917 -2.506 -4.635 1.00 41.55 C ATOM 1548 CG1 VAL A2107 4.037 -1.473 -4.755 1.00 70.10 C ATOM 1549 CG2 VAL A2107 1.977 -2.165 -3.476 1.00 12.45 C ATOM 0 H VAL A2107 2.521 -0.579 -6.120 1.00 15.32 H new ATOM 0 HA VAL A2107 2.642 -3.408 -6.532 1.00 52.25 H new ATOM 0 HB VAL A2107 3.376 -3.472 -4.422 1.00 41.55 H new ATOM 0 HG11 VAL A2107 4.570 -1.403 -3.807 1.00 70.10 H new ATOM 0 HG12 VAL A2107 4.730 -1.777 -5.539 1.00 70.10 H new ATOM 0 HG13 VAL A2107 3.611 -0.501 -5.004 1.00 70.10 H new ATOM 0 HG21 VAL A2107 2.552 -2.080 -2.554 1.00 12.45 H new ATOM 0 HG22 VAL A2107 1.476 -1.219 -3.680 1.00 12.45 H new ATOM 0 HG23 VAL A2107 1.232 -2.954 -3.367 1.00 12.45 H new ATOM 1559 N PHE A2108 -0.111 -2.158 -5.238 1.00 24.14 N ATOM 1560 CA PHE A2108 -1.514 -2.442 -4.995 1.00 14.15 C ATOM 1561 C PHE A2108 -2.237 -2.791 -6.297 1.00 33.32 C ATOM 1562 O PHE A2108 -3.215 -3.540 -6.288 1.00 14.53 O ATOM 1563 CB PHE A2108 -2.133 -1.172 -4.406 1.00 4.53 C ATOM 1564 CG PHE A2108 -2.014 -1.070 -2.884 1.00 71.01 C ATOM 1565 CD1 PHE A2108 -0.840 -0.681 -2.318 1.00 22.42 C ATOM 1566 CD2 PHE A2108 -3.082 -1.370 -2.097 1.00 62.43 C ATOM 1567 CE1 PHE A2108 -0.732 -0.587 -0.905 1.00 13.34 C ATOM 1568 CE2 PHE A2108 -2.975 -1.275 -0.685 1.00 53.22 C ATOM 1569 CZ PHE A2108 -1.800 -0.886 -0.119 1.00 20.11 C ATOM 0 H PHE A2108 0.182 -1.214 -4.987 1.00 24.14 H new ATOM 0 HA PHE A2108 -1.609 -3.292 -4.319 1.00 14.15 H new ATOM 0 HB2 PHE A2108 -1.653 -0.303 -4.857 1.00 4.53 H new ATOM 0 HB3 PHE A2108 -3.187 -1.132 -4.681 1.00 4.53 H new ATOM 0 HD1 PHE A2108 0.009 -0.444 -2.942 1.00 22.42 H new ATOM 0 HD2 PHE A2108 -4.013 -1.681 -2.547 1.00 62.43 H new ATOM 0 HE1 PHE A2108 0.200 -0.278 -0.455 1.00 13.34 H new ATOM 0 HE2 PHE A2108 -3.824 -1.511 -0.061 1.00 53.22 H new ATOM 0 HZ PHE A2108 -1.716 -0.815 0.955 1.00 20.11 H new ATOM 1579 N ARG A2109 -1.729 -2.234 -7.386 1.00 72.21 N ATOM 1580 CA ARG A2109 -2.316 -2.477 -8.693 1.00 44.35 C ATOM 1581 C ARG A2109 -1.954 -3.879 -9.185 1.00 65.33 C ATOM 1582 O ARG A2109 -2.739 -4.518 -9.884 1.00 43.35 O ATOM 1583 CB ARG A2109 -1.830 -1.445 -9.715 1.00 31.14 C ATOM 1584 CG ARG A2109 -2.195 -1.871 -11.139 1.00 62.10 C ATOM 1585 CD ARG A2109 -2.257 -0.661 -12.072 1.00 71.10 C ATOM 1586 NE ARG A2109 -2.654 -1.089 -13.432 1.00 63.13 N ATOM 1587 CZ ARG A2109 -2.337 -0.419 -14.560 1.00 20.24 C ATOM 1588 NH1 ARG A2109 -1.614 0.718 -14.501 1.00 10.12 N ATOM 1589 NH2 ARG A2109 -2.746 -0.896 -15.723 1.00 43.33 N ATOM 0 H ARG A2109 -0.918 -1.616 -7.391 1.00 72.21 H new ATOM 0 HA ARG A2109 -3.398 -2.391 -8.592 1.00 44.35 H new ATOM 0 HB2 ARG A2109 -2.275 -0.474 -9.497 1.00 31.14 H new ATOM 0 HB3 ARG A2109 -0.750 -1.327 -9.632 1.00 31.14 H new ATOM 0 HG2 ARG A2109 -1.458 -2.584 -11.510 1.00 62.10 H new ATOM 0 HG3 ARG A2109 -3.158 -2.381 -11.135 1.00 62.10 H new ATOM 0 HD2 ARG A2109 -2.971 0.068 -11.688 1.00 71.10 H new ATOM 0 HD3 ARG A2109 -1.286 -0.168 -12.106 1.00 71.10 H new ATOM 0 HE ARG A2109 -3.202 -1.945 -13.523 1.00 63.13 H new ATOM 0 HH11 ARG A2109 -1.302 1.078 -13.599 1.00 10.12 H new ATOM 0 HH12 ARG A2109 -1.379 1.218 -15.358 1.00 10.12 H new ATOM 0 HH21 ARG A2109 -3.292 -1.757 -15.758 1.00 43.33 H new ATOM 0 HH22 ARG A2109 -2.516 -0.403 -16.586 1.00 43.33 H new ATOM 1601 N ARG A2110 -0.766 -4.319 -8.799 1.00 0.52 N ATOM 1602 CA ARG A2110 -0.289 -5.634 -9.191 1.00 21.34 C ATOM 1603 C ARG A2110 -1.085 -6.723 -8.468 1.00 64.11 C ATOM 1604 O ARG A2110 -1.601 -7.645 -9.102 1.00 5.44 O ATOM 1605 CB ARG A2110 1.197 -5.803 -8.871 1.00 10.43 C ATOM 1606 CG ARG A2110 1.754 -7.078 -9.504 1.00 20.45 C ATOM 1607 CD ARG A2110 2.082 -6.860 -10.982 1.00 24.12 C ATOM 1608 NE ARG A2110 3.538 -6.660 -11.153 1.00 53.35 N ATOM 1609 CZ ARG A2110 4.123 -6.312 -12.318 1.00 64.34 C ATOM 1610 NH1 ARG A2110 3.378 -6.123 -13.429 1.00 3.24 N ATOM 1611 NH2 ARG A2110 5.433 -6.159 -12.357 1.00 2.03 N ATOM 0 H ARG A2110 -0.118 -3.787 -8.218 1.00 0.52 H new ATOM 0 HA ARG A2110 -0.428 -5.728 -10.268 1.00 21.34 H new ATOM 0 HB2 ARG A2110 1.752 -4.939 -9.237 1.00 10.43 H new ATOM 0 HB3 ARG A2110 1.338 -5.838 -7.791 1.00 10.43 H new ATOM 0 HG2 ARG A2110 2.652 -7.390 -8.971 1.00 20.45 H new ATOM 0 HG3 ARG A2110 1.028 -7.885 -9.404 1.00 20.45 H new ATOM 0 HD2 ARG A2110 1.754 -7.719 -11.566 1.00 24.12 H new ATOM 0 HD3 ARG A2110 1.541 -5.992 -11.359 1.00 24.12 H new ATOM 0 HE ARG A2110 4.137 -6.794 -10.339 1.00 53.35 H new ATOM 0 HH11 ARG A2110 2.366 -6.243 -13.391 1.00 3.24 H new ATOM 0 HH12 ARG A2110 3.828 -5.860 -14.306 1.00 3.24 H new ATOM 0 HH21 ARG A2110 5.989 -6.304 -11.514 1.00 2.03 H new ATOM 0 HH22 ARG A2110 5.890 -5.896 -13.230 1.00 2.03 H new ATOM 1623 N ILE A2111 -1.162 -6.582 -7.153 1.00 41.21 N ATOM 1624 CA ILE A2111 -1.886 -7.542 -6.338 1.00 11.21 C ATOM 1625 C ILE A2111 -3.227 -7.860 -7.003 1.00 21.03 C ATOM 1626 O ILE A2111 -3.733 -8.976 -6.885 1.00 75.02 O ATOM 1627 CB ILE A2111 -2.017 -7.034 -4.901 1.00 11.41 C ATOM 1628 CG1 ILE A2111 -2.541 -5.596 -4.874 1.00 12.42 C ATOM 1629 CG2 ILE A2111 -0.693 -7.177 -4.146 1.00 15.10 C ATOM 1630 CD1 ILE A2111 -2.768 -5.124 -3.436 1.00 54.22 C ATOM 0 H ILE A2111 -0.735 -5.817 -6.631 1.00 41.21 H new ATOM 0 HA ILE A2111 -1.333 -8.479 -6.271 1.00 11.21 H new ATOM 0 HB ILE A2111 -2.750 -7.654 -4.384 1.00 11.41 H new ATOM 0 HG12 ILE A2111 -1.829 -4.936 -5.369 1.00 12.42 H new ATOM 0 HG13 ILE A2111 -3.475 -5.534 -5.433 1.00 12.42 H new ATOM 0 HG21 ILE A2111 -0.813 -6.809 -3.127 1.00 15.10 H new ATOM 0 HG22 ILE A2111 -0.400 -8.227 -4.120 1.00 15.10 H new ATOM 0 HG23 ILE A2111 0.079 -6.598 -4.652 1.00 15.10 H new ATOM 0 HD11 ILE A2111 -3.140 -4.100 -3.444 1.00 54.22 H new ATOM 0 HD12 ILE A2111 -3.498 -5.772 -2.951 1.00 54.22 H new ATOM 0 HD13 ILE A2111 -1.827 -5.164 -2.887 1.00 54.22 H new ATOM 1642 N SER A2112 -3.764 -6.861 -7.687 1.00 53.25 N ATOM 1643 CA SER A2112 -5.036 -7.019 -8.369 1.00 41.14 C ATOM 1644 C SER A2112 -4.821 -7.691 -9.727 1.00 52.54 C ATOM 1645 O SER A2112 -5.405 -8.736 -10.008 1.00 73.31 O ATOM 1646 CB SER A2112 -5.739 -5.673 -8.549 1.00 72.02 C ATOM 1647 OG SER A2112 -5.726 -4.900 -7.350 1.00 21.42 O ATOM 0 H SER A2112 -3.341 -5.938 -7.783 1.00 53.25 H new ATOM 0 HA SER A2112 -5.676 -7.651 -7.754 1.00 41.14 H new ATOM 0 HB2 SER A2112 -5.251 -5.113 -9.347 1.00 72.02 H new ATOM 0 HB3 SER A2112 -6.770 -5.841 -8.861 1.00 72.02 H new ATOM 0 HG SER A2112 -6.595 -4.974 -6.904 1.00 21.42 H new ATOM 1653 N LYS A2113 -3.981 -7.060 -10.536 1.00 4.41 N ATOM 1654 CA LYS A2113 -3.681 -7.584 -11.859 1.00 53.40 C ATOM 1655 C LYS A2113 -3.555 -9.107 -11.784 1.00 34.13 C ATOM 1656 O LYS A2113 -2.904 -9.636 -10.885 1.00 70.41 O ATOM 1657 CB LYS A2113 -2.446 -6.892 -12.441 1.00 12.25 C ATOM 1658 CG LYS A2113 -2.838 -5.901 -13.538 1.00 22.35 C ATOM 1659 CD LYS A2113 -2.617 -6.507 -14.927 1.00 74.32 C ATOM 1660 CE LYS A2113 -1.541 -5.737 -15.695 1.00 31.03 C ATOM 1661 NZ LYS A2113 -1.625 -6.035 -17.142 1.00 63.05 N ATOM 0 H LYS A2113 -3.499 -6.192 -10.301 1.00 4.41 H new ATOM 0 HA LYS A2113 -4.496 -7.366 -12.549 1.00 53.40 H new ATOM 0 HB2 LYS A2113 -1.910 -6.369 -11.648 1.00 12.25 H new ATOM 0 HB3 LYS A2113 -1.764 -7.639 -12.848 1.00 12.25 H new ATOM 0 HG2 LYS A2113 -3.885 -5.619 -13.422 1.00 22.35 H new ATOM 0 HG3 LYS A2113 -2.250 -4.989 -13.437 1.00 22.35 H new ATOM 0 HD2 LYS A2113 -2.322 -7.552 -14.829 1.00 74.32 H new ATOM 0 HD3 LYS A2113 -3.551 -6.491 -15.488 1.00 74.32 H new ATOM 0 HE2 LYS A2113 -1.664 -4.667 -15.530 1.00 31.03 H new ATOM 0 HE3 LYS A2113 -0.554 -6.006 -15.319 1.00 31.03 H new ATOM 0 HZ1 LYS A2113 -0.888 -5.505 -17.649 1.00 63.05 H new ATOM 0 HZ2 LYS A2113 -1.486 -7.054 -17.295 1.00 63.05 H new ATOM 0 HZ3 LYS A2113 -2.561 -5.756 -17.500 1.00 63.05 H new ATOM 1674 N GLN A2114 -4.191 -9.768 -12.741 1.00 14.53 N ATOM 1675 CA GLN A2114 -4.157 -11.220 -12.794 1.00 3.31 C ATOM 1676 C GLN A2114 -4.410 -11.808 -11.404 1.00 42.12 C ATOM 1677 O GLN A2114 -5.558 -11.992 -11.004 1.00 2.55 O ATOM 1678 CB GLN A2114 -2.829 -11.719 -13.368 1.00 74.12 C ATOM 1679 CG GLN A2114 -3.048 -12.900 -14.312 1.00 65.53 C ATOM 1680 CD GLN A2114 -3.150 -12.429 -15.766 1.00 31.01 C ATOM 1681 OE1 GLN A2114 -2.295 -11.724 -16.277 1.00 24.25 O ATOM 1682 NE2 GLN A2114 -4.239 -12.858 -16.399 1.00 43.10 N ATOM 0 H GLN A2114 -4.732 -9.326 -13.484 1.00 14.53 H new ATOM 0 HA GLN A2114 -4.951 -11.558 -13.460 1.00 3.31 H new ATOM 0 HB2 GLN A2114 -2.333 -10.909 -13.903 1.00 74.12 H new ATOM 0 HB3 GLN A2114 -2.167 -12.017 -12.555 1.00 74.12 H new ATOM 0 HG2 GLN A2114 -2.225 -13.607 -14.212 1.00 65.53 H new ATOM 0 HG3 GLN A2114 -3.959 -13.429 -14.033 1.00 65.53 H new ATOM 0 HE21 GLN A2114 -4.914 -13.446 -15.911 1.00 43.10 H new ATOM 0 HE22 GLN A2114 -4.398 -12.599 -17.373 1.00 43.10 H new TER 1691 GLN A2114