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: A2026 MET CE :methyl 149:sc= -6.65! (180deg=-5.18!) USER MOD Set 1.2: A2057 MET CE :methyl 163:sc= -5.8 (180deg=-4.06!) USER MOD Set 1.3: A2058 MET CE :methyl 155:sc= -15.3! (180deg=-12.6!) USER MOD Set 2.1: A2047 MET CE :methyl -152:sc= -6.87! (180deg=-10.3!) USER MOD Set 2.2: A2055 HIS : no HD1:sc= -1.49 X(o=-8.8,f=-8.3) USER MOD Set 2.3: A2082 GLN : amide:sc= -0.0191 X(o=-8.8,f=-8.4) USER MOD Set 2.4: A2085 CYS SG : rot 180:sc= -0.418 USER MOD Set 2.5: A2104 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A2038 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A2098 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A2014 MET CE :methyl 149:sc= -0.0128 (180deg=-0.178) USER MOD Single : A2024 HIS : no HD1:sc= -0.76 K(o=-0.76,f=-4.4!) USER MOD Single : A2028 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-5.1!) USER MOD Single : A2035 SER OG : rot 55:sc= 1.39 USER MOD Single : A2043 ASN : amide:sc= -3.08! C(o=-3.1!,f=-7.5!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2063 GLN : amide:sc= -0.0686 K(o=-0.069,f=-0.79) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A2066 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0203) USER MOD Single : A2068 THR OG1 : rot -123:sc= 0.609 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.774 X(o=-0.77,f=-1.2!) USER MOD Single : A2072 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2074 TYR OH : rot 180:sc= -0.282 USER MOD Single : A2079 MET CE :methyl 163:sc= -0.449 (180deg=-0.738) USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 30:sc= -0.0183 USER MOD Single : A2089 MET CE :methyl 146:sc= -0.0724 (180deg=-2.5!) 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= -0.0052 X(o=-0.0052,f=0.039) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2099 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A2112 SER OG : rot 180:sc=0.000552 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc=-0.00814 X(o=-0.0081,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -15.588 0.269 4.791 1.00 72.11 N ATOM 2 CA MET A2014 -15.745 -0.247 3.442 1.00 41.51 C ATOM 3 C MET A2014 -14.656 -1.272 3.117 1.00 14.23 C ATOM 4 O MET A2014 -13.604 -0.917 2.587 1.00 52.11 O ATOM 5 CB MET A2014 -15.674 0.909 2.442 1.00 42.15 C ATOM 6 CG MET A2014 -17.045 1.568 2.266 1.00 3.01 C ATOM 7 SD MET A2014 -17.066 3.158 3.076 1.00 64.03 S ATOM 8 CE MET A2014 -18.017 2.752 4.530 1.00 14.41 C ATOM 0 HA MET A2014 -16.714 -0.740 3.372 1.00 41.51 H new ATOM 0 HB2 MET A2014 -14.952 1.649 2.787 1.00 42.15 H new ATOM 0 HB3 MET A2014 -15.317 0.541 1.480 1.00 42.15 H new ATOM 0 HG2 MET A2014 -17.267 1.688 1.206 1.00 3.01 H new ATOM 0 HG3 MET A2014 -17.822 0.928 2.684 1.00 3.01 H new ATOM 0 HE1 MET A2014 -17.693 3.376 5.363 1.00 14.41 H new ATOM 0 HE2 MET A2014 -19.075 2.928 4.334 1.00 14.41 H new ATOM 0 HE3 MET A2014 -17.865 1.703 4.783 1.00 14.41 H new ATOM 18 N GLU A2015 -14.945 -2.521 3.449 1.00 41.13 N ATOM 19 CA GLU A2015 -14.003 -3.599 3.200 1.00 60.21 C ATOM 20 C GLU A2015 -13.826 -3.811 1.695 1.00 64.33 C ATOM 21 O GLU A2015 -12.720 -4.075 1.227 1.00 60.41 O ATOM 22 CB GLU A2015 -14.454 -4.890 3.885 1.00 14.31 C ATOM 23 CG GLU A2015 -15.960 -5.106 3.716 1.00 33.23 C ATOM 24 CD GLU A2015 -16.322 -6.585 3.863 1.00 55.34 C ATOM 25 OE1 GLU A2015 -16.102 -7.372 2.930 1.00 43.12 O ATOM 26 OE2 GLU A2015 -16.850 -6.906 4.993 1.00 31.24 O ATOM 0 H GLU A2015 -15.819 -2.811 3.889 1.00 41.13 H new ATOM 0 HA GLU A2015 -13.039 -3.319 3.624 1.00 60.21 H new ATOM 0 HB2 GLU A2015 -13.912 -5.737 3.464 1.00 14.31 H new ATOM 0 HB3 GLU A2015 -14.206 -4.848 4.946 1.00 14.31 H new ATOM 0 HG2 GLU A2015 -16.501 -4.520 4.459 1.00 33.23 H new ATOM 0 HG3 GLU A2015 -16.275 -4.747 2.736 1.00 33.23 H new ATOM 34 N LEU A2016 -14.934 -3.687 0.978 1.00 60.10 N ATOM 35 CA LEU A2016 -14.914 -3.862 -0.466 1.00 11.23 C ATOM 36 C LEU A2016 -14.965 -5.354 -0.795 1.00 33.42 C ATOM 37 O LEU A2016 -14.056 -6.104 -0.442 1.00 1.40 O ATOM 38 CB LEU A2016 -13.715 -3.138 -1.079 1.00 13.45 C ATOM 39 CG LEU A2016 -14.019 -2.203 -2.248 1.00 23.33 C ATOM 40 CD1 LEU A2016 -14.781 -2.939 -3.352 1.00 43.02 C ATOM 41 CD2 LEU A2016 -14.765 -0.953 -1.773 1.00 71.44 C ATOM 0 H LEU A2016 -15.850 -3.468 1.369 1.00 60.10 H new ATOM 0 HA LEU A2016 -15.795 -3.405 -0.916 1.00 11.23 H new ATOM 0 HB2 LEU A2016 -13.227 -2.559 -0.295 1.00 13.45 H new ATOM 0 HB3 LEU A2016 -12.998 -3.887 -1.416 1.00 13.45 H new ATOM 0 HG LEU A2016 -13.073 -1.870 -2.674 1.00 23.33 H new ATOM 0 HD11 LEU A2016 -14.986 -2.252 -4.173 1.00 43.02 H new ATOM 0 HD12 LEU A2016 -14.179 -3.771 -3.717 1.00 43.02 H new ATOM 0 HD13 LEU A2016 -15.722 -3.319 -2.954 1.00 43.02 H new ATOM 0 HD21 LEU A2016 -14.969 -0.305 -2.625 1.00 71.44 H new ATOM 0 HD22 LEU A2016 -15.706 -1.246 -1.307 1.00 71.44 H new ATOM 0 HD23 LEU A2016 -14.152 -0.417 -1.048 1.00 71.44 H new ATOM 53 N ILE A2017 -16.038 -5.744 -1.466 1.00 71.43 N ATOM 54 CA ILE A2017 -16.221 -7.134 -1.848 1.00 41.32 C ATOM 55 C ILE A2017 -14.869 -7.729 -2.250 1.00 34.11 C ATOM 56 O ILE A2017 -14.255 -7.286 -3.219 1.00 25.54 O ATOM 57 CB ILE A2017 -17.293 -7.257 -2.932 1.00 12.53 C ATOM 58 CG1 ILE A2017 -18.506 -6.386 -2.604 1.00 54.31 C ATOM 59 CG2 ILE A2017 -17.681 -8.721 -3.155 1.00 13.23 C ATOM 60 CD1 ILE A2017 -18.848 -6.459 -1.115 1.00 50.32 C ATOM 0 H ILE A2017 -16.791 -5.120 -1.756 1.00 71.43 H new ATOM 0 HA ILE A2017 -16.589 -7.716 -1.003 1.00 41.32 H new ATOM 0 HB ILE A2017 -16.876 -6.888 -3.869 1.00 12.53 H new ATOM 0 HG12 ILE A2017 -18.302 -5.352 -2.883 1.00 54.31 H new ATOM 0 HG13 ILE A2017 -19.363 -6.713 -3.194 1.00 54.31 H new ATOM 0 HG21 ILE A2017 -18.445 -8.781 -3.930 1.00 13.23 H new ATOM 0 HG22 ILE A2017 -16.803 -9.287 -3.466 1.00 13.23 H new ATOM 0 HG23 ILE A2017 -18.072 -9.139 -2.227 1.00 13.23 H new ATOM 0 HD11 ILE A2017 -19.714 -5.830 -0.909 1.00 50.32 H new ATOM 0 HD12 ILE A2017 -19.075 -7.490 -0.844 1.00 50.32 H new ATOM 0 HD13 ILE A2017 -17.998 -6.109 -0.529 1.00 50.32 H new ATOM 72 N ARG A2018 -14.444 -8.722 -1.481 1.00 44.45 N ATOM 73 CA ARG A2018 -13.176 -9.382 -1.745 1.00 62.54 C ATOM 74 C ARG A2018 -12.938 -10.499 -0.728 1.00 10.11 C ATOM 75 O ARG A2018 -13.457 -10.450 0.386 1.00 54.15 O ATOM 76 CB ARG A2018 -12.015 -8.389 -1.685 1.00 51.24 C ATOM 77 CG ARG A2018 -10.770 -8.958 -2.369 1.00 73.21 C ATOM 78 CD ARG A2018 -10.216 -7.976 -3.403 1.00 31.25 C ATOM 79 NE ARG A2018 -10.535 -8.448 -4.769 1.00 23.03 N ATOM 80 CZ ARG A2018 -9.887 -8.038 -5.882 1.00 73.02 C ATOM 81 NH1 ARG A2018 -8.881 -7.143 -5.798 1.00 0.21 N ATOM 82 NH2 ARG A2018 -10.256 -8.527 -7.051 1.00 45.24 N ATOM 0 H ARG A2018 -14.955 -9.085 -0.676 1.00 44.45 H new ATOM 0 HA ARG A2018 -13.224 -9.805 -2.749 1.00 62.54 H new ATOM 0 HB2 ARG A2018 -12.305 -7.456 -2.168 1.00 51.24 H new ATOM 0 HB3 ARG A2018 -11.787 -8.153 -0.646 1.00 51.24 H new ATOM 0 HG2 ARG A2018 -10.007 -9.174 -1.622 1.00 73.21 H new ATOM 0 HG3 ARG A2018 -11.017 -9.902 -2.854 1.00 73.21 H new ATOM 0 HD2 ARG A2018 -10.643 -6.986 -3.242 1.00 31.25 H new ATOM 0 HD3 ARG A2018 -9.137 -7.881 -3.285 1.00 31.25 H new ATOM 0 HE ARG A2018 -11.291 -9.125 -4.877 1.00 23.03 H new ATOM 0 HH11 ARG A2018 -8.604 -6.771 -4.890 1.00 0.21 H new ATOM 0 HH12 ARG A2018 -8.397 -6.839 -6.643 1.00 0.21 H new ATOM 0 HH21 ARG A2018 -11.018 -9.202 -7.104 1.00 45.24 H new ATOM 0 HH22 ARG A2018 -9.779 -8.229 -7.902 1.00 45.24 H new ATOM 94 N VAL A2019 -12.151 -11.479 -1.145 1.00 45.12 N ATOM 95 CA VAL A2019 -11.836 -12.606 -0.283 1.00 61.12 C ATOM 96 C VAL A2019 -11.649 -12.108 1.151 1.00 31.53 C ATOM 97 O VAL A2019 -11.012 -11.082 1.378 1.00 60.24 O ATOM 98 CB VAL A2019 -10.614 -13.351 -0.822 1.00 42.22 C ATOM 99 CG1 VAL A2019 -9.500 -12.375 -1.204 1.00 62.25 C ATOM 100 CG2 VAL A2019 -10.112 -14.386 0.189 1.00 53.25 C ATOM 0 H VAL A2019 -11.721 -11.516 -2.069 1.00 45.12 H new ATOM 0 HA VAL A2019 -12.658 -13.322 -0.274 1.00 61.12 H new ATOM 0 HB VAL A2019 -10.918 -13.882 -1.724 1.00 42.22 H new ATOM 0 HG11 VAL A2019 -8.643 -12.931 -1.584 1.00 62.25 H new ATOM 0 HG12 VAL A2019 -9.861 -11.694 -1.975 1.00 62.25 H new ATOM 0 HG13 VAL A2019 -9.200 -11.803 -0.326 1.00 62.25 H new ATOM 0 HG21 VAL A2019 -9.243 -14.901 -0.219 1.00 53.25 H new ATOM 0 HG22 VAL A2019 -9.834 -13.884 1.116 1.00 53.25 H new ATOM 0 HG23 VAL A2019 -10.901 -15.110 0.391 1.00 53.25 H new ATOM 110 N PRO A2020 -12.232 -12.880 2.109 1.00 60.45 N ATOM 111 CA PRO A2020 -12.138 -12.528 3.516 1.00 63.44 C ATOM 112 C PRO A2020 -10.743 -12.840 4.064 1.00 53.05 C ATOM 113 O PRO A2020 -10.032 -11.940 4.510 1.00 63.23 O ATOM 114 CB PRO A2020 -13.236 -13.327 4.195 1.00 54.01 C ATOM 115 CG PRO A2020 -13.602 -14.442 3.229 1.00 65.24 C ATOM 116 CD PRO A2020 -12.996 -14.103 1.877 1.00 64.54 C ATOM 0 HA PRO A2020 -12.273 -11.461 3.695 1.00 63.44 H new ATOM 0 HB2 PRO A2020 -12.892 -13.733 5.146 1.00 54.01 H new ATOM 0 HB3 PRO A2020 -14.100 -12.698 4.410 1.00 54.01 H new ATOM 0 HG2 PRO A2020 -13.223 -15.399 3.588 1.00 65.24 H new ATOM 0 HG3 PRO A2020 -14.685 -14.538 3.149 1.00 65.24 H new ATOM 0 HD2 PRO A2020 -12.355 -14.908 1.517 1.00 64.54 H new ATOM 0 HD3 PRO A2020 -13.769 -13.950 1.124 1.00 64.54 H new ATOM 124 N ILE A2021 -10.394 -14.117 4.013 1.00 12.41 N ATOM 125 CA ILE A2021 -9.099 -14.558 4.501 1.00 25.34 C ATOM 126 C ILE A2021 -8.061 -14.412 3.385 1.00 73.11 C ATOM 127 O ILE A2021 -7.865 -15.332 2.592 1.00 54.22 O ATOM 128 CB ILE A2021 -9.194 -15.974 5.071 1.00 33.11 C ATOM 129 CG1 ILE A2021 -9.988 -16.890 4.136 1.00 64.14 C ATOM 130 CG2 ILE A2021 -9.776 -15.959 6.485 1.00 1.03 C ATOM 131 CD1 ILE A2021 -11.452 -16.979 4.570 1.00 63.01 C ATOM 0 H ILE A2021 -10.986 -14.860 3.641 1.00 12.41 H new ATOM 0 HA ILE A2021 -8.770 -13.929 5.328 1.00 25.34 H new ATOM 0 HB ILE A2021 -8.185 -16.381 5.142 1.00 33.11 H new ATOM 0 HG12 ILE A2021 -9.930 -16.512 3.115 1.00 64.14 H new ATOM 0 HG13 ILE A2021 -9.544 -17.886 4.133 1.00 64.14 H new ATOM 0 HG21 ILE A2021 -9.832 -16.979 6.866 1.00 1.03 H new ATOM 0 HG22 ILE A2021 -9.136 -15.363 7.136 1.00 1.03 H new ATOM 0 HG23 ILE A2021 -10.775 -15.524 6.463 1.00 1.03 H new ATOM 0 HD11 ILE A2021 -11.994 -17.636 3.889 1.00 63.01 H new ATOM 0 HD12 ILE A2021 -11.508 -17.380 5.582 1.00 63.01 H new ATOM 0 HD13 ILE A2021 -11.899 -15.985 4.548 1.00 63.01 H new ATOM 143 N LEU A2022 -7.427 -13.250 3.358 1.00 33.53 N ATOM 144 CA LEU A2022 -6.416 -12.972 2.353 1.00 3.11 C ATOM 145 C LEU A2022 -5.773 -11.615 2.644 1.00 51.11 C ATOM 146 O LEU A2022 -6.386 -10.756 3.274 1.00 73.20 O ATOM 147 CB LEU A2022 -7.014 -13.080 0.949 1.00 4.44 C ATOM 148 CG LEU A2022 -6.295 -14.026 -0.015 1.00 61.43 C ATOM 149 CD1 LEU A2022 -6.366 -15.472 0.478 1.00 71.55 C ATOM 150 CD2 LEU A2022 -6.840 -13.878 -1.438 1.00 44.14 C ATOM 0 H LEU A2022 -7.594 -12.489 4.017 1.00 33.53 H new ATOM 0 HA LEU A2022 -5.622 -13.717 2.395 1.00 3.11 H new ATOM 0 HB2 LEU A2022 -8.050 -13.405 1.041 1.00 4.44 H new ATOM 0 HB3 LEU A2022 -7.031 -12.085 0.505 1.00 4.44 H new ATOM 0 HG LEU A2022 -5.242 -13.748 -0.043 1.00 61.43 H new ATOM 0 HD11 LEU A2022 -5.847 -16.122 -0.226 1.00 71.55 H new ATOM 0 HD12 LEU A2022 -5.893 -15.546 1.457 1.00 71.55 H new ATOM 0 HD13 LEU A2022 -7.409 -15.779 0.555 1.00 71.55 H new ATOM 0 HD21 LEU A2022 -6.312 -14.561 -2.103 1.00 44.14 H new ATOM 0 HD22 LEU A2022 -7.904 -14.114 -1.446 1.00 44.14 H new ATOM 0 HD23 LEU A2022 -6.693 -12.853 -1.779 1.00 44.14 H new ATOM 162 N TRP A2023 -4.545 -11.466 2.171 1.00 55.33 N ATOM 163 CA TRP A2023 -3.811 -10.227 2.373 1.00 25.14 C ATOM 164 C TRP A2023 -4.364 -9.185 1.399 1.00 44.32 C ATOM 165 O TRP A2023 -4.644 -8.054 1.789 1.00 15.11 O ATOM 166 CB TRP A2023 -2.305 -10.452 2.216 1.00 52.44 C ATOM 167 CG TRP A2023 -1.574 -10.711 3.535 1.00 75.01 C ATOM 168 CD1 TRP A2023 -2.102 -11.068 4.714 1.00 64.25 C ATOM 169 CD2 TRP A2023 -0.151 -10.618 3.763 1.00 75.31 C ATOM 170 NE1 TRP A2023 -1.128 -11.212 5.681 1.00 40.30 N ATOM 171 CE2 TRP A2023 0.095 -10.929 5.085 1.00 11.21 C ATOM 172 CE3 TRP A2023 0.891 -10.281 2.883 1.00 70.53 C ATOM 173 CZ2 TRP A2023 1.379 -10.935 5.643 1.00 2.35 C ATOM 174 CZ3 TRP A2023 2.168 -10.292 3.457 1.00 61.53 C ATOM 175 CH2 TRP A2023 2.433 -10.604 4.784 1.00 73.13 C ATOM 0 H TRP A2023 -4.039 -12.181 1.649 1.00 55.33 H new ATOM 0 HA TRP A2023 -3.947 -9.859 3.390 1.00 25.14 H new ATOM 0 HB2 TRP A2023 -2.142 -11.299 1.550 1.00 52.44 H new ATOM 0 HB3 TRP A2023 -1.866 -9.578 1.734 1.00 52.44 H new ATOM 0 HD1 TRP A2023 -3.157 -11.223 4.886 1.00 64.25 H new ATOM 0 HE1 TRP A2023 -1.278 -11.477 6.654 1.00 40.30 H new ATOM 0 HE3 TRP A2023 0.720 -10.033 1.846 1.00 70.53 H new ATOM 0 HZ2 TRP A2023 1.547 -11.182 6.681 1.00 2.35 H new ATOM 0 HZ3 TRP A2023 3.006 -10.040 2.823 1.00 61.53 H new ATOM 0 HH2 TRP A2023 3.448 -10.591 5.152 1.00 73.13 H new ATOM 186 N HIS A2024 -4.505 -9.606 0.150 1.00 53.22 N ATOM 187 CA HIS A2024 -5.019 -8.721 -0.883 1.00 72.32 C ATOM 188 C HIS A2024 -6.284 -8.023 -0.377 1.00 12.30 C ATOM 189 O HIS A2024 -6.649 -6.957 -0.873 1.00 25.33 O ATOM 190 CB HIS A2024 -5.249 -9.488 -2.188 1.00 42.31 C ATOM 191 CG HIS A2024 -4.215 -10.552 -2.464 1.00 3.41 C ATOM 192 ND1 HIS A2024 -4.369 -11.868 -2.063 1.00 42.20 N ATOM 193 CD2 HIS A2024 -3.013 -10.483 -3.106 1.00 65.13 C ATOM 194 CE1 HIS A2024 -3.300 -12.550 -2.450 1.00 21.02 C ATOM 195 NE2 HIS A2024 -2.461 -11.690 -3.095 1.00 64.14 N ATOM 0 H HIS A2024 -4.273 -10.546 -0.170 1.00 53.22 H new ATOM 0 HA HIS A2024 -4.283 -7.949 -1.106 1.00 72.32 H new ATOM 0 HB2 HIS A2024 -6.234 -9.953 -2.156 1.00 42.31 H new ATOM 0 HB3 HIS A2024 -5.258 -8.780 -3.017 1.00 42.31 H new ATOM 0 HD2 HIS A2024 -2.583 -9.596 -3.548 1.00 65.13 H new ATOM 0 HE1 HIS A2024 -3.124 -13.603 -2.284 1.00 21.02 H new ATOM 0 HE2 HIS A2024 -1.558 -11.934 -3.502 1.00 64.14 H new ATOM 204 N GLU A2025 -6.914 -8.649 0.605 1.00 3.11 N ATOM 205 CA GLU A2025 -8.130 -8.100 1.183 1.00 15.41 C ATOM 206 C GLU A2025 -7.813 -6.832 1.977 1.00 53.35 C ATOM 207 O GLU A2025 -8.610 -5.895 2.001 1.00 33.13 O ATOM 208 CB GLU A2025 -8.834 -9.135 2.062 1.00 72.13 C ATOM 209 CG GLU A2025 -10.099 -8.549 2.693 1.00 72.13 C ATOM 210 CD GLU A2025 -9.921 -8.352 4.200 1.00 1.22 C ATOM 211 OE1 GLU A2025 -10.772 -8.788 4.988 1.00 24.40 O ATOM 212 OE2 GLU A2025 -8.850 -7.721 4.544 1.00 4.33 O ATOM 0 H GLU A2025 -6.606 -9.531 1.016 1.00 3.11 H new ATOM 0 HA GLU A2025 -8.809 -7.838 0.372 1.00 15.41 H new ATOM 0 HB2 GLU A2025 -9.093 -10.009 1.464 1.00 72.13 H new ATOM 0 HB3 GLU A2025 -8.156 -9.474 2.845 1.00 72.13 H new ATOM 0 HG2 GLU A2025 -10.335 -7.594 2.223 1.00 72.13 H new ATOM 0 HG3 GLU A2025 -10.943 -9.213 2.507 1.00 72.13 H new ATOM 220 N MET A2026 -6.646 -6.842 2.607 1.00 54.32 N ATOM 221 CA MET A2026 -6.214 -5.703 3.399 1.00 34.41 C ATOM 222 C MET A2026 -5.673 -4.585 2.505 1.00 23.12 C ATOM 223 O MET A2026 -5.781 -3.408 2.843 1.00 13.30 O ATOM 224 CB MET A2026 -5.127 -6.147 4.379 1.00 43.21 C ATOM 225 CG MET A2026 -3.739 -6.036 3.743 1.00 52.20 C ATOM 226 SD MET A2026 -3.081 -4.396 3.994 1.00 42.44 S ATOM 227 CE MET A2026 -1.334 -4.760 3.996 1.00 21.22 C ATOM 0 H MET A2026 -5.987 -7.621 2.585 1.00 54.32 H new ATOM 0 HA MET A2026 -7.074 -5.318 3.947 1.00 34.41 H new ATOM 0 HB2 MET A2026 -5.169 -5.532 5.278 1.00 43.21 H new ATOM 0 HB3 MET A2026 -5.309 -7.176 4.688 1.00 43.21 H new ATOM 0 HG2 MET A2026 -3.069 -6.776 4.181 1.00 52.20 H new ATOM 0 HG3 MET A2026 -3.800 -6.253 2.677 1.00 52.20 H new ATOM 0 HE1 MET A2026 -0.784 -3.907 3.598 1.00 21.22 H new ATOM 0 HE2 MET A2026 -1.005 -4.960 5.016 1.00 21.22 H new ATOM 0 HE3 MET A2026 -1.144 -5.636 3.375 1.00 21.22 H new ATOM 237 N TRP A2027 -5.101 -4.995 1.381 1.00 35.23 N ATOM 238 CA TRP A2027 -4.543 -4.045 0.436 1.00 74.14 C ATOM 239 C TRP A2027 -5.705 -3.321 -0.250 1.00 24.10 C ATOM 240 O TRP A2027 -5.692 -2.098 -0.374 1.00 42.22 O ATOM 241 CB TRP A2027 -3.605 -4.740 -0.552 1.00 52.23 C ATOM 242 CG TRP A2027 -2.330 -5.294 0.086 1.00 21.41 C ATOM 243 CD1 TRP A2027 -2.194 -6.395 0.837 1.00 14.43 C ATOM 244 CD2 TRP A2027 -1.006 -4.724 -0.003 1.00 2.41 C ATOM 245 NE1 TRP A2027 -0.886 -6.575 1.238 1.00 4.24 N ATOM 246 CE2 TRP A2027 -0.140 -5.528 0.711 1.00 74.40 C ATOM 247 CE3 TRP A2027 -0.556 -3.568 -0.664 1.00 61.31 C ATOM 248 CZ2 TRP A2027 1.228 -5.261 0.831 1.00 0.12 C ATOM 249 CZ3 TRP A2027 0.815 -3.317 -0.533 1.00 61.33 C ATOM 250 CH2 TRP A2027 1.700 -4.115 0.181 1.00 20.25 C ATOM 0 H TRP A2027 -5.013 -5.973 1.105 1.00 35.23 H new ATOM 0 HA TRP A2027 -3.928 -3.307 0.950 1.00 74.14 H new ATOM 0 HB2 TRP A2027 -4.142 -5.557 -1.034 1.00 52.23 H new ATOM 0 HB3 TRP A2027 -3.330 -4.033 -1.335 1.00 52.23 H new ATOM 0 HD1 TRP A2027 -3.006 -7.058 1.096 1.00 14.43 H new ATOM 0 HE1 TRP A2027 -0.532 -7.337 1.816 1.00 4.24 H new ATOM 0 HE3 TRP A2027 -1.215 -2.925 -1.228 1.00 61.31 H new ATOM 0 HZ2 TRP A2027 1.885 -5.905 1.396 1.00 0.12 H new ATOM 0 HZ3 TRP A2027 1.213 -2.440 -1.022 1.00 61.33 H new ATOM 0 HH2 TRP A2027 2.746 -3.853 0.234 1.00 20.25 H new ATOM 261 N HIS A2028 -6.681 -4.110 -0.677 1.00 71.02 N ATOM 262 CA HIS A2028 -7.847 -3.561 -1.347 1.00 43.00 C ATOM 263 C HIS A2028 -8.631 -2.679 -0.373 1.00 71.33 C ATOM 264 O HIS A2028 -8.814 -1.487 -0.619 1.00 70.13 O ATOM 265 CB HIS A2028 -8.700 -4.676 -1.954 1.00 51.10 C ATOM 266 CG HIS A2028 -8.850 -4.589 -3.454 1.00 2.42 C ATOM 267 ND1 HIS A2028 -10.055 -4.791 -4.101 1.00 31.34 N ATOM 268 CD2 HIS A2028 -7.931 -4.318 -4.426 1.00 20.22 C ATOM 269 CE1 HIS A2028 -9.861 -4.648 -5.403 1.00 41.31 C ATOM 270 NE2 HIS A2028 -8.543 -4.355 -5.603 1.00 34.31 N ATOM 0 H HIS A2028 -6.688 -5.125 -0.572 1.00 71.02 H new ATOM 0 HA HIS A2028 -7.530 -2.932 -2.179 1.00 43.00 H new ATOM 0 HB2 HIS A2028 -8.256 -5.638 -1.699 1.00 51.10 H new ATOM 0 HB3 HIS A2028 -9.690 -4.651 -1.498 1.00 51.10 H new ATOM 0 HD2 HIS A2028 -6.884 -4.109 -4.265 1.00 20.22 H new ATOM 0 HE1 HIS A2028 -10.613 -4.746 -6.172 1.00 41.31 H new ATOM 0 HE2 HIS A2028 -8.101 -4.191 -6.508 1.00 34.31 H new ATOM 279 N GLU A2029 -9.072 -3.297 0.713 1.00 1.41 N ATOM 280 CA GLU A2029 -9.831 -2.582 1.725 1.00 1.23 C ATOM 281 C GLU A2029 -8.978 -1.472 2.342 1.00 64.15 C ATOM 282 O GLU A2029 -9.486 -0.396 2.656 1.00 4.31 O ATOM 283 CB GLU A2029 -10.346 -3.540 2.801 1.00 21.10 C ATOM 284 CG GLU A2029 -9.202 -4.029 3.694 1.00 73.30 C ATOM 285 CD GLU A2029 -9.069 -3.152 4.941 1.00 13.11 C ATOM 286 OE1 GLU A2029 -8.370 -2.129 4.906 1.00 51.52 O ATOM 287 OE2 GLU A2029 -9.723 -3.567 5.971 1.00 11.12 O ATOM 0 H GLU A2029 -8.918 -4.285 0.914 1.00 1.41 H new ATOM 0 HA GLU A2029 -10.697 -2.124 1.247 1.00 1.23 H new ATOM 0 HB2 GLU A2029 -11.098 -3.038 3.410 1.00 21.10 H new ATOM 0 HB3 GLU A2029 -10.834 -4.393 2.330 1.00 21.10 H new ATOM 0 HG2 GLU A2029 -9.382 -5.063 3.989 1.00 73.30 H new ATOM 0 HG3 GLU A2029 -8.267 -4.016 3.134 1.00 73.30 H new ATOM 295 N GLY A2030 -7.696 -1.769 2.497 1.00 20.35 N ATOM 296 CA GLY A2030 -6.769 -0.811 3.072 1.00 52.51 C ATOM 297 C GLY A2030 -6.707 0.465 2.228 1.00 21.44 C ATOM 298 O GLY A2030 -7.100 1.537 2.685 1.00 3.43 O ATOM 0 H GLY A2030 -7.278 -2.661 2.234 1.00 20.35 H new ATOM 0 HA2 GLY A2030 -7.078 -0.565 4.088 1.00 52.51 H new ATOM 0 HA3 GLY A2030 -5.776 -1.255 3.140 1.00 52.51 H new ATOM 302 N LEU A2031 -6.209 0.305 1.010 1.00 21.20 N ATOM 303 CA LEU A2031 -6.090 1.430 0.097 1.00 73.31 C ATOM 304 C LEU A2031 -7.477 2.024 -0.156 1.00 64.21 C ATOM 305 O LEU A2031 -7.606 3.221 -0.408 1.00 11.33 O ATOM 306 CB LEU A2031 -5.360 1.007 -1.180 1.00 54.11 C ATOM 307 CG LEU A2031 -4.273 1.963 -1.676 1.00 34.15 C ATOM 308 CD1 LEU A2031 -3.297 2.316 -0.552 1.00 53.42 C ATOM 309 CD2 LEU A2031 -3.554 1.389 -2.898 1.00 53.40 C ATOM 0 H LEU A2031 -5.884 -0.586 0.634 1.00 21.20 H new ATOM 0 HA LEU A2031 -5.481 2.218 0.540 1.00 73.31 H new ATOM 0 HB2 LEU A2031 -4.908 0.030 -1.010 1.00 54.11 H new ATOM 0 HB3 LEU A2031 -6.097 0.883 -1.973 1.00 54.11 H new ATOM 0 HG LEU A2031 -4.752 2.890 -1.989 1.00 34.15 H new ATOM 0 HD11 LEU A2031 -2.535 2.997 -0.932 1.00 53.42 H new ATOM 0 HD12 LEU A2031 -3.839 2.796 0.263 1.00 53.42 H new ATOM 0 HD13 LEU A2031 -2.821 1.407 -0.185 1.00 53.42 H new ATOM 0 HD21 LEU A2031 -2.787 2.088 -3.230 1.00 53.40 H new ATOM 0 HD22 LEU A2031 -3.090 0.439 -2.634 1.00 53.40 H new ATOM 0 HD23 LEU A2031 -4.273 1.230 -3.702 1.00 53.40 H new ATOM 321 N GLU A2032 -8.480 1.160 -0.081 1.00 52.23 N ATOM 322 CA GLU A2032 -9.851 1.585 -0.299 1.00 14.14 C ATOM 323 C GLU A2032 -10.201 2.749 0.631 1.00 52.23 C ATOM 324 O GLU A2032 -10.655 3.798 0.177 1.00 21.14 O ATOM 325 CB GLU A2032 -10.823 0.419 -0.110 1.00 55.44 C ATOM 326 CG GLU A2032 -11.273 -0.146 -1.459 1.00 4.43 C ATOM 327 CD GLU A2032 -12.057 0.896 -2.257 1.00 42.03 C ATOM 328 OE1 GLU A2032 -12.871 1.634 -1.682 1.00 21.35 O ATOM 329 OE2 GLU A2032 -11.795 0.925 -3.520 1.00 73.42 O ATOM 0 H GLU A2032 -8.369 0.168 0.128 1.00 52.23 H new ATOM 0 HA GLU A2032 -9.945 1.929 -1.329 1.00 14.14 H new ATOM 0 HB2 GLU A2032 -10.345 -0.366 0.476 1.00 55.44 H new ATOM 0 HB3 GLU A2032 -11.692 0.754 0.456 1.00 55.44 H new ATOM 0 HG2 GLU A2032 -10.403 -0.467 -2.031 1.00 4.43 H new ATOM 0 HG3 GLU A2032 -11.893 -1.028 -1.299 1.00 4.43 H new ATOM 337 N GLU A2033 -9.978 2.521 1.918 1.00 71.03 N ATOM 338 CA GLU A2033 -10.264 3.538 2.917 1.00 22.15 C ATOM 339 C GLU A2033 -9.302 4.718 2.764 1.00 72.42 C ATOM 340 O GLU A2033 -9.731 5.868 2.698 1.00 75.30 O ATOM 341 CB GLU A2033 -10.194 2.953 4.329 1.00 23.44 C ATOM 342 CG GLU A2033 -11.053 3.764 5.301 1.00 63.11 C ATOM 343 CD GLU A2033 -10.900 3.244 6.732 1.00 72.31 C ATOM 344 OE1 GLU A2033 -10.720 2.034 6.936 1.00 41.12 O ATOM 345 OE2 GLU A2033 -10.973 4.147 7.652 1.00 2.12 O ATOM 0 H GLU A2033 -9.603 1.649 2.291 1.00 71.03 H new ATOM 0 HA GLU A2033 -11.280 3.900 2.759 1.00 22.15 H new ATOM 0 HB2 GLU A2033 -10.534 1.917 4.315 1.00 23.44 H new ATOM 0 HB3 GLU A2033 -9.159 2.944 4.672 1.00 23.44 H new ATOM 0 HG2 GLU A2033 -10.764 4.814 5.259 1.00 63.11 H new ATOM 0 HG3 GLU A2033 -12.099 3.709 5.000 1.00 63.11 H new ATOM 353 N ALA A2034 -8.019 4.392 2.713 1.00 33.52 N ATOM 354 CA ALA A2034 -6.994 5.410 2.569 1.00 44.55 C ATOM 355 C ALA A2034 -7.287 6.252 1.326 1.00 74.24 C ATOM 356 O ALA A2034 -7.252 7.480 1.382 1.00 61.42 O ATOM 357 CB ALA A2034 -5.617 4.745 2.511 1.00 54.01 C ATOM 0 H ALA A2034 -7.666 3.437 2.769 1.00 33.52 H new ATOM 0 HA ALA A2034 -6.997 6.080 3.429 1.00 44.55 H new ATOM 0 HB1 ALA A2034 -4.848 5.510 2.403 1.00 54.01 H new ATOM 0 HB2 ALA A2034 -5.445 4.184 3.430 1.00 54.01 H new ATOM 0 HB3 ALA A2034 -5.576 4.066 1.659 1.00 54.01 H new ATOM 363 N SER A2035 -7.569 5.557 0.234 1.00 43.42 N ATOM 364 CA SER A2035 -7.866 6.226 -1.022 1.00 65.30 C ATOM 365 C SER A2035 -9.056 7.170 -0.842 1.00 15.30 C ATOM 366 O SER A2035 -9.057 8.280 -1.372 1.00 1.13 O ATOM 367 CB SER A2035 -8.158 5.211 -2.131 1.00 30.44 C ATOM 368 OG SER A2035 -8.590 5.842 -3.332 1.00 43.40 O ATOM 0 H SER A2035 -7.598 4.538 0.192 1.00 43.42 H new ATOM 0 HA SER A2035 -6.991 6.805 -1.317 1.00 65.30 H new ATOM 0 HB2 SER A2035 -7.261 4.625 -2.332 1.00 30.44 H new ATOM 0 HB3 SER A2035 -8.924 4.514 -1.792 1.00 30.44 H new ATOM 0 HG SER A2035 -7.925 6.506 -3.610 1.00 43.40 H new ATOM 374 N ARG A2036 -10.040 6.696 -0.091 1.00 3.01 N ATOM 375 CA ARG A2036 -11.232 7.485 0.165 1.00 44.21 C ATOM 376 C ARG A2036 -10.873 8.756 0.939 1.00 43.32 C ATOM 377 O ARG A2036 -11.480 9.805 0.732 1.00 33.14 O ATOM 378 CB ARG A2036 -12.261 6.685 0.966 1.00 45.23 C ATOM 379 CG ARG A2036 -13.638 6.741 0.302 1.00 12.54 C ATOM 380 CD ARG A2036 -14.575 5.684 0.890 1.00 0.15 C ATOM 381 NE ARG A2036 -15.919 5.804 0.284 1.00 63.04 N ATOM 382 CZ ARG A2036 -16.220 5.415 -0.974 1.00 51.01 C ATOM 383 NH1 ARG A2036 -15.272 4.873 -1.769 1.00 54.42 N ATOM 384 NH2 ARG A2036 -17.455 5.569 -1.413 1.00 61.12 N ATOM 0 H ARG A2036 -10.035 5.775 0.348 1.00 3.01 H new ATOM 0 HA ARG A2036 -11.665 7.752 -0.799 1.00 44.21 H new ATOM 0 HB2 ARG A2036 -11.936 5.648 1.049 1.00 45.23 H new ATOM 0 HB3 ARG A2036 -12.326 7.081 1.979 1.00 45.23 H new ATOM 0 HG2 ARG A2036 -14.071 7.732 0.438 1.00 12.54 H new ATOM 0 HG3 ARG A2036 -13.534 6.583 -0.772 1.00 12.54 H new ATOM 0 HD2 ARG A2036 -14.173 4.688 0.707 1.00 0.15 H new ATOM 0 HD3 ARG A2036 -14.642 5.807 1.971 1.00 0.15 H new ATOM 0 HE ARG A2036 -16.665 6.206 0.852 1.00 63.04 H new ATOM 0 HH11 ARG A2036 -14.321 4.755 -1.421 1.00 54.42 H new ATOM 0 HH12 ARG A2036 -15.507 4.582 -2.718 1.00 54.42 H new ATOM 0 HH21 ARG A2036 -18.165 5.977 -0.805 1.00 61.12 H new ATOM 0 HH22 ARG A2036 -17.699 5.281 -2.360 1.00 61.12 H new ATOM 396 N LEU A2037 -9.885 8.619 1.811 1.00 43.13 N ATOM 397 CA LEU A2037 -9.435 9.743 2.614 1.00 54.11 C ATOM 398 C LEU A2037 -8.723 10.755 1.716 1.00 72.54 C ATOM 399 O LEU A2037 -8.834 11.964 1.927 1.00 21.34 O ATOM 400 CB LEU A2037 -8.584 9.256 3.789 1.00 3.40 C ATOM 401 CG LEU A2037 -9.290 8.353 4.803 1.00 63.25 C ATOM 402 CD1 LEU A2037 -8.425 7.141 5.153 1.00 22.32 C ATOM 403 CD2 LEU A2037 -9.702 9.143 6.046 1.00 51.13 C ATOM 0 H LEU A2037 -9.384 7.747 1.979 1.00 43.13 H new ATOM 0 HA LEU A2037 -10.287 10.257 3.059 1.00 54.11 H new ATOM 0 HB2 LEU A2037 -7.724 8.717 3.390 1.00 3.40 H new ATOM 0 HB3 LEU A2037 -8.197 10.128 4.317 1.00 3.40 H new ATOM 0 HG LEU A2037 -10.204 7.974 4.346 1.00 63.25 H new ATOM 0 HD11 LEU A2037 -8.950 6.516 5.875 1.00 22.32 H new ATOM 0 HD12 LEU A2037 -8.226 6.563 4.250 1.00 22.32 H new ATOM 0 HD13 LEU A2037 -7.482 7.479 5.583 1.00 22.32 H new ATOM 0 HD21 LEU A2037 -10.202 8.478 6.751 1.00 51.13 H new ATOM 0 HD22 LEU A2037 -8.816 9.570 6.516 1.00 51.13 H new ATOM 0 HD23 LEU A2037 -10.382 9.945 5.759 1.00 51.13 H new ATOM 415 N TYR A2038 -8.007 10.227 0.735 1.00 62.24 N ATOM 416 CA TYR A2038 -7.277 11.070 -0.197 1.00 64.11 C ATOM 417 C TYR A2038 -8.193 11.573 -1.314 1.00 34.25 C ATOM 418 O TYR A2038 -8.314 12.778 -1.526 1.00 43.24 O ATOM 419 CB TYR A2038 -6.189 10.181 -0.806 1.00 53.21 C ATOM 420 CG TYR A2038 -5.265 10.911 -1.782 1.00 33.01 C ATOM 421 CD1 TYR A2038 -4.368 11.849 -1.312 1.00 22.24 C ATOM 422 CD2 TYR A2038 -5.328 10.631 -3.132 1.00 23.15 C ATOM 423 CE1 TYR A2038 -3.498 12.535 -2.232 1.00 52.52 C ATOM 424 CE2 TYR A2038 -4.457 11.318 -4.051 1.00 63.40 C ATOM 425 CZ TYR A2038 -3.584 12.235 -3.555 1.00 72.41 C ATOM 426 OH TYR A2038 -2.763 12.884 -4.424 1.00 42.21 O ATOM 0 H TYR A2038 -7.916 9.225 0.565 1.00 62.24 H new ATOM 0 HA TYR A2038 -6.868 11.942 0.313 1.00 64.11 H new ATOM 0 HB2 TYR A2038 -5.589 9.756 -0.002 1.00 53.21 H new ATOM 0 HB3 TYR A2038 -6.663 9.347 -1.324 1.00 53.21 H new ATOM 0 HD1 TYR A2038 -4.319 12.068 -0.256 1.00 22.24 H new ATOM 0 HD2 TYR A2038 -6.030 9.897 -3.499 1.00 23.15 H new ATOM 0 HE1 TYR A2038 -2.792 13.272 -1.878 1.00 52.52 H new ATOM 0 HE2 TYR A2038 -4.496 11.109 -5.110 1.00 63.40 H new ATOM 0 HH TYR A2038 -2.935 12.567 -5.335 1.00 42.21 H new ATOM 436 N PHE A2039 -8.814 10.624 -1.999 1.00 43.55 N ATOM 437 CA PHE A2039 -9.714 10.957 -3.090 1.00 60.23 C ATOM 438 C PHE A2039 -11.035 11.519 -2.558 1.00 62.23 C ATOM 439 O PHE A2039 -11.520 12.540 -3.043 1.00 51.25 O ATOM 440 CB PHE A2039 -9.995 9.660 -3.849 1.00 31.30 C ATOM 441 CG PHE A2039 -8.853 9.214 -4.766 1.00 74.14 C ATOM 442 CD1 PHE A2039 -7.796 8.533 -4.252 1.00 44.11 C ATOM 443 CD2 PHE A2039 -8.897 9.502 -6.094 1.00 34.00 C ATOM 444 CE1 PHE A2039 -6.735 8.121 -5.103 1.00 21.04 C ATOM 445 CE2 PHE A2039 -7.837 9.090 -6.946 1.00 75.24 C ATOM 446 CZ PHE A2039 -6.779 8.408 -6.430 1.00 61.01 C ATOM 0 H PHE A2039 -8.712 9.625 -1.820 1.00 43.55 H new ATOM 0 HA PHE A2039 -9.259 11.713 -3.730 1.00 60.23 H new ATOM 0 HB2 PHE A2039 -10.200 8.867 -3.129 1.00 31.30 H new ATOM 0 HB3 PHE A2039 -10.897 9.789 -4.446 1.00 31.30 H new ATOM 0 HD1 PHE A2039 -7.762 8.305 -3.197 1.00 44.11 H new ATOM 0 HD2 PHE A2039 -9.738 10.044 -6.501 1.00 34.00 H new ATOM 0 HE1 PHE A2039 -5.894 7.580 -4.695 1.00 21.04 H new ATOM 0 HE2 PHE A2039 -7.871 9.318 -8.001 1.00 75.24 H new ATOM 0 HZ PHE A2039 -5.973 8.094 -7.076 1.00 61.01 H new ATOM 456 N GLY A2040 -11.580 10.827 -1.569 1.00 21.23 N ATOM 457 CA GLY A2040 -12.835 11.244 -0.966 1.00 43.10 C ATOM 458 C GLY A2040 -12.640 12.489 -0.099 1.00 34.45 C ATOM 459 O GLY A2040 -13.141 13.564 -0.426 1.00 4.21 O ATOM 0 H GLY A2040 -11.176 9.980 -1.170 1.00 21.23 H new ATOM 0 HA2 GLY A2040 -13.567 11.451 -1.747 1.00 43.10 H new ATOM 0 HA3 GLY A2040 -13.238 10.433 -0.359 1.00 43.10 H new ATOM 463 N GLU A2041 -11.910 12.303 0.992 1.00 52.23 N ATOM 464 CA GLU A2041 -11.643 13.397 1.909 1.00 5.24 C ATOM 465 C GLU A2041 -10.303 14.055 1.573 1.00 4.42 C ATOM 466 O GLU A2041 -9.722 13.787 0.523 1.00 52.44 O ATOM 467 CB GLU A2041 -11.668 12.915 3.362 1.00 25.40 C ATOM 468 CG GLU A2041 -12.766 13.627 4.155 1.00 0.45 C ATOM 469 CD GLU A2041 -12.757 13.184 5.620 1.00 73.22 C ATOM 470 OE1 GLU A2041 -12.134 13.845 6.464 1.00 4.14 O ATOM 471 OE2 GLU A2041 -13.428 12.110 5.869 1.00 61.14 O ATOM 0 H GLU A2041 -11.496 11.411 1.261 1.00 52.23 H new ATOM 0 HA GLU A2041 -12.431 14.141 1.795 1.00 5.24 H new ATOM 0 HB2 GLU A2041 -11.834 11.838 3.389 1.00 25.40 H new ATOM 0 HB3 GLU A2041 -10.700 13.100 3.827 1.00 25.40 H new ATOM 0 HG2 GLU A2041 -12.621 14.706 4.096 1.00 0.45 H new ATOM 0 HG3 GLU A2041 -13.738 13.411 3.712 1.00 0.45 H new ATOM 479 N ARG A2042 -9.851 14.904 2.485 1.00 71.24 N ATOM 480 CA ARG A2042 -8.590 15.602 2.300 1.00 40.02 C ATOM 481 C ARG A2042 -7.668 15.361 3.496 1.00 32.05 C ATOM 482 O ARG A2042 -6.767 16.156 3.760 1.00 1.23 O ATOM 483 CB ARG A2042 -8.814 17.107 2.132 1.00 23.34 C ATOM 484 CG ARG A2042 -8.207 17.610 0.820 1.00 24.44 C ATOM 485 CD ARG A2042 -8.719 16.793 -0.368 1.00 70.31 C ATOM 486 NE ARG A2042 -9.321 17.692 -1.378 1.00 72.41 N ATOM 487 CZ ARG A2042 -10.560 18.219 -1.279 1.00 20.41 C ATOM 488 NH1 ARG A2042 -11.340 17.942 -0.213 1.00 1.02 N ATOM 489 NH2 ARG A2042 -10.998 19.010 -2.240 1.00 73.42 N ATOM 0 H ARG A2042 -10.336 15.124 3.355 1.00 71.24 H new ATOM 0 HA ARG A2042 -8.125 15.211 1.395 1.00 40.02 H new ATOM 0 HB2 ARG A2042 -9.882 17.323 2.149 1.00 23.34 H new ATOM 0 HB3 ARG A2042 -8.368 17.640 2.971 1.00 23.34 H new ATOM 0 HG2 ARG A2042 -8.458 18.661 0.678 1.00 24.44 H new ATOM 0 HG3 ARG A2042 -7.120 17.545 0.869 1.00 24.44 H new ATOM 0 HD2 ARG A2042 -7.899 16.230 -0.813 1.00 70.31 H new ATOM 0 HD3 ARG A2042 -9.458 16.067 -0.029 1.00 70.31 H new ATOM 0 HE ARG A2042 -8.765 17.928 -2.200 1.00 72.41 H new ATOM 0 HH11 ARG A2042 -10.995 17.330 0.526 1.00 1.02 H new ATOM 0 HH12 ARG A2042 -12.275 18.345 -0.147 1.00 1.02 H new ATOM 0 HH21 ARG A2042 -10.403 19.215 -3.043 1.00 73.42 H new ATOM 0 HH22 ARG A2042 -11.932 19.416 -2.180 1.00 73.42 H new ATOM 501 N ASN A2043 -7.924 14.259 4.187 1.00 34.12 N ATOM 502 CA ASN A2043 -7.129 13.904 5.348 1.00 34.25 C ATOM 503 C ASN A2043 -6.158 12.784 4.972 1.00 25.14 C ATOM 504 O ASN A2043 -6.512 11.606 5.019 1.00 73.03 O ATOM 505 CB ASN A2043 -8.015 13.397 6.490 1.00 54.44 C ATOM 506 CG ASN A2043 -8.200 14.474 7.560 1.00 65.55 C ATOM 507 OD1 ASN A2043 -7.630 15.552 7.498 1.00 72.33 O ATOM 508 ND2 ASN A2043 -9.027 14.126 8.541 1.00 65.31 N ATOM 0 H ASN A2043 -8.671 13.601 3.964 1.00 34.12 H new ATOM 0 HA ASN A2043 -6.594 14.796 5.675 1.00 34.25 H new ATOM 0 HB2 ASN A2043 -8.987 13.100 6.096 1.00 54.44 H new ATOM 0 HB3 ASN A2043 -7.567 12.509 6.936 1.00 54.44 H new ATOM 0 HD21 ASN A2043 -9.217 14.777 9.303 1.00 65.31 H new ATOM 0 HD22 ASN A2043 -9.471 13.208 8.532 1.00 65.31 H new ATOM 515 N VAL A2044 -4.950 13.189 4.607 1.00 12.21 N ATOM 516 CA VAL A2044 -3.924 12.234 4.222 1.00 54.21 C ATOM 517 C VAL A2044 -3.604 11.328 5.412 1.00 73.23 C ATOM 518 O VAL A2044 -3.113 10.215 5.236 1.00 40.44 O ATOM 519 CB VAL A2044 -2.695 12.974 3.688 1.00 31.51 C ATOM 520 CG1 VAL A2044 -1.417 12.171 3.943 1.00 75.44 C ATOM 521 CG2 VAL A2044 -2.854 13.295 2.200 1.00 5.34 C ATOM 0 H VAL A2044 -4.659 14.166 4.570 1.00 12.21 H new ATOM 0 HA VAL A2044 -4.281 11.596 3.414 1.00 54.21 H new ATOM 0 HB VAL A2044 -2.610 13.917 4.228 1.00 31.51 H new ATOM 0 HG11 VAL A2044 -0.559 12.719 3.554 1.00 75.44 H new ATOM 0 HG12 VAL A2044 -1.293 12.016 5.015 1.00 75.44 H new ATOM 0 HG13 VAL A2044 -1.488 11.205 3.442 1.00 75.44 H new ATOM 0 HG21 VAL A2044 -1.968 13.821 1.844 1.00 5.34 H new ATOM 0 HG22 VAL A2044 -2.976 12.368 1.639 1.00 5.34 H new ATOM 0 HG23 VAL A2044 -3.732 13.925 2.055 1.00 5.34 H new ATOM 531 N LYS A2045 -3.898 11.840 6.600 1.00 40.13 N ATOM 532 CA LYS A2045 -3.648 11.089 7.820 1.00 43.34 C ATOM 533 C LYS A2045 -4.383 9.748 7.750 1.00 51.44 C ATOM 534 O LYS A2045 -3.877 8.734 8.225 1.00 50.03 O ATOM 535 CB LYS A2045 -4.012 11.926 9.047 1.00 20.52 C ATOM 536 CG LYS A2045 -5.357 12.629 8.852 1.00 24.32 C ATOM 537 CD LYS A2045 -5.160 14.080 8.412 1.00 13.01 C ATOM 538 CE LYS A2045 -5.458 15.047 9.561 1.00 64.45 C ATOM 539 NZ LYS A2045 -4.686 16.299 9.398 1.00 63.24 N ATOM 0 H LYS A2045 -4.306 12.764 6.743 1.00 40.13 H new ATOM 0 HA LYS A2045 -2.586 10.865 7.918 1.00 43.34 H new ATOM 0 HB2 LYS A2045 -4.057 11.286 9.928 1.00 20.52 H new ATOM 0 HB3 LYS A2045 -3.234 12.667 9.230 1.00 20.52 H new ATOM 0 HG2 LYS A2045 -5.945 12.096 8.105 1.00 24.32 H new ATOM 0 HG3 LYS A2045 -5.924 12.602 9.783 1.00 24.32 H new ATOM 0 HD2 LYS A2045 -4.136 14.223 8.068 1.00 13.01 H new ATOM 0 HD3 LYS A2045 -5.814 14.300 7.568 1.00 13.01 H new ATOM 0 HE2 LYS A2045 -6.524 15.271 9.588 1.00 64.45 H new ATOM 0 HE3 LYS A2045 -5.206 14.579 10.513 1.00 64.45 H new ATOM 0 HZ1 LYS A2045 -4.900 16.944 10.186 1.00 63.24 H new ATOM 0 HZ2 LYS A2045 -3.669 16.082 9.395 1.00 63.24 H new ATOM 0 HZ3 LYS A2045 -4.946 16.753 8.499 1.00 63.24 H new ATOM 552 N GLY A2046 -5.565 9.790 7.151 1.00 5.34 N ATOM 553 CA GLY A2046 -6.374 8.591 7.012 1.00 35.34 C ATOM 554 C GLY A2046 -5.564 7.451 6.394 1.00 5.00 C ATOM 555 O GLY A2046 -5.537 6.343 6.926 1.00 22.21 O ATOM 0 H GLY A2046 -5.981 10.634 6.757 1.00 5.34 H new ATOM 0 HA2 GLY A2046 -6.750 8.287 7.989 1.00 35.34 H new ATOM 0 HA3 GLY A2046 -7.242 8.804 6.389 1.00 35.34 H new ATOM 559 N MET A2047 -4.922 7.763 5.276 1.00 32.53 N ATOM 560 CA MET A2047 -4.114 6.779 4.578 1.00 23.14 C ATOM 561 C MET A2047 -2.919 6.345 5.431 1.00 71.44 C ATOM 562 O MET A2047 -2.717 5.155 5.663 1.00 13.34 O ATOM 563 CB MET A2047 -3.613 7.369 3.259 1.00 55.33 C ATOM 564 CG MET A2047 -2.523 6.491 2.643 1.00 71.54 C ATOM 565 SD MET A2047 -0.929 6.936 3.310 1.00 75.30 S ATOM 566 CE MET A2047 -0.841 8.642 2.790 1.00 24.13 C ATOM 0 H MET A2047 -4.946 8.684 4.838 1.00 32.53 H new ATOM 0 HA MET A2047 -4.733 5.904 4.381 1.00 23.14 H new ATOM 0 HB2 MET A2047 -4.445 7.465 2.561 1.00 55.33 H new ATOM 0 HB3 MET A2047 -3.223 8.372 3.431 1.00 55.33 H new ATOM 0 HG2 MET A2047 -2.732 5.441 2.848 1.00 71.54 H new ATOM 0 HG3 MET A2047 -2.519 6.609 1.559 1.00 71.54 H new ATOM 0 HE1 MET A2047 0.202 8.930 2.663 1.00 24.13 H new ATOM 0 HE2 MET A2047 -1.368 8.762 1.844 1.00 24.13 H new ATOM 0 HE3 MET A2047 -1.303 9.277 3.546 1.00 24.13 H new ATOM 576 N PHE A2048 -2.160 7.338 5.871 1.00 3.54 N ATOM 577 CA PHE A2048 -0.989 7.076 6.693 1.00 22.20 C ATOM 578 C PHE A2048 -1.344 6.179 7.881 1.00 3.41 C ATOM 579 O PHE A2048 -0.643 5.209 8.162 1.00 41.43 O ATOM 580 CB PHE A2048 -0.500 8.427 7.217 1.00 5.14 C ATOM 581 CG PHE A2048 0.533 9.107 6.315 1.00 13.54 C ATOM 582 CD1 PHE A2048 0.125 9.932 5.314 1.00 0.13 C ATOM 583 CD2 PHE A2048 1.861 8.884 6.515 1.00 10.12 C ATOM 584 CE1 PHE A2048 1.084 10.561 4.478 1.00 70.51 C ATOM 585 CE2 PHE A2048 2.819 9.515 5.679 1.00 71.43 C ATOM 586 CZ PHE A2048 2.411 10.340 4.677 1.00 44.13 C ATOM 0 H PHE A2048 -2.332 8.324 5.675 1.00 3.54 H new ATOM 0 HA PHE A2048 -0.226 6.568 6.104 1.00 22.20 H new ATOM 0 HB2 PHE A2048 -1.356 9.091 7.336 1.00 5.14 H new ATOM 0 HB3 PHE A2048 -0.066 8.286 8.207 1.00 5.14 H new ATOM 0 HD1 PHE A2048 -0.929 10.109 5.155 1.00 0.13 H new ATOM 0 HD2 PHE A2048 2.185 8.228 7.309 1.00 10.12 H new ATOM 0 HE1 PHE A2048 0.760 11.216 3.683 1.00 70.51 H new ATOM 0 HE2 PHE A2048 3.873 9.340 5.838 1.00 71.43 H new ATOM 0 HZ PHE A2048 3.140 10.819 4.040 1.00 44.13 H new ATOM 596 N GLU A2049 -2.432 6.536 8.548 1.00 43.32 N ATOM 597 CA GLU A2049 -2.887 5.777 9.698 1.00 53.10 C ATOM 598 C GLU A2049 -3.510 4.452 9.247 1.00 61.21 C ATOM 599 O GLU A2049 -3.711 3.549 10.060 1.00 73.24 O ATOM 600 CB GLU A2049 -3.876 6.590 10.535 1.00 53.30 C ATOM 601 CG GLU A2049 -5.178 6.830 9.769 1.00 44.11 C ATOM 602 CD GLU A2049 -6.124 5.634 9.908 1.00 42.24 C ATOM 603 OE1 GLU A2049 -5.772 4.637 10.556 1.00 74.12 O ATOM 604 OE2 GLU A2049 -7.260 5.765 9.312 1.00 4.13 O ATOM 0 H GLU A2049 -3.011 7.342 8.313 1.00 43.32 H new ATOM 0 HA GLU A2049 -2.025 5.556 10.327 1.00 53.10 H new ATOM 0 HB2 GLU A2049 -4.089 6.063 11.465 1.00 53.30 H new ATOM 0 HB3 GLU A2049 -3.428 7.546 10.806 1.00 53.30 H new ATOM 0 HG2 GLU A2049 -5.665 7.729 10.145 1.00 44.11 H new ATOM 0 HG3 GLU A2049 -4.958 7.004 8.716 1.00 44.11 H new ATOM 612 N VAL A2050 -3.797 4.380 7.957 1.00 71.40 N ATOM 613 CA VAL A2050 -4.392 3.182 7.390 1.00 13.35 C ATOM 614 C VAL A2050 -3.284 2.207 6.990 1.00 62.10 C ATOM 615 O VAL A2050 -3.394 1.005 7.229 1.00 44.55 O ATOM 616 CB VAL A2050 -5.309 3.555 6.224 1.00 64.10 C ATOM 617 CG1 VAL A2050 -5.491 2.373 5.268 1.00 11.51 C ATOM 618 CG2 VAL A2050 -6.660 4.065 6.729 1.00 2.14 C ATOM 0 H VAL A2050 -3.629 5.131 7.288 1.00 71.40 H new ATOM 0 HA VAL A2050 -5.016 2.679 8.129 1.00 13.35 H new ATOM 0 HB VAL A2050 -4.832 4.363 5.670 1.00 64.10 H new ATOM 0 HG11 VAL A2050 -6.147 2.666 4.448 1.00 11.51 H new ATOM 0 HG12 VAL A2050 -4.522 2.076 4.868 1.00 11.51 H new ATOM 0 HG13 VAL A2050 -5.934 1.535 5.806 1.00 11.51 H new ATOM 0 HG21 VAL A2050 -7.292 4.323 5.879 1.00 2.14 H new ATOM 0 HG22 VAL A2050 -7.145 3.287 7.319 1.00 2.14 H new ATOM 0 HG23 VAL A2050 -6.507 4.948 7.349 1.00 2.14 H new ATOM 628 N LEU A2051 -2.240 2.761 6.390 1.00 11.13 N ATOM 629 CA LEU A2051 -1.111 1.955 5.957 1.00 31.52 C ATOM 630 C LEU A2051 -0.231 1.624 7.163 1.00 62.24 C ATOM 631 O LEU A2051 0.269 0.507 7.283 1.00 1.52 O ATOM 632 CB LEU A2051 -0.361 2.651 4.820 1.00 61.22 C ATOM 633 CG LEU A2051 -1.210 3.525 3.892 1.00 4.35 C ATOM 634 CD1 LEU A2051 -0.521 3.713 2.537 1.00 55.24 C ATOM 635 CD2 LEU A2051 -2.621 2.955 3.742 1.00 15.12 C ATOM 0 H LEU A2051 -2.152 3.758 6.194 1.00 11.13 H new ATOM 0 HA LEU A2051 -1.457 1.006 5.546 1.00 31.52 H new ATOM 0 HB2 LEU A2051 0.423 3.272 5.255 1.00 61.22 H new ATOM 0 HB3 LEU A2051 0.133 1.889 4.217 1.00 61.22 H new ATOM 0 HG LEU A2051 -1.308 4.512 4.345 1.00 4.35 H new ATOM 0 HD11 LEU A2051 -1.143 4.337 1.896 1.00 55.24 H new ATOM 0 HD12 LEU A2051 0.446 4.195 2.684 1.00 55.24 H new ATOM 0 HD13 LEU A2051 -0.374 2.741 2.065 1.00 55.24 H new ATOM 0 HD21 LEU A2051 -3.203 3.594 3.078 1.00 15.12 H new ATOM 0 HD22 LEU A2051 -2.565 1.951 3.322 1.00 15.12 H new ATOM 0 HD23 LEU A2051 -3.102 2.913 4.719 1.00 15.12 H new ATOM 647 N GLU A2052 -0.069 2.617 8.025 1.00 32.12 N ATOM 648 CA GLU A2052 0.742 2.445 9.218 1.00 12.24 C ATOM 649 C GLU A2052 0.478 1.076 9.848 1.00 2.23 C ATOM 650 O GLU A2052 1.409 0.308 10.086 1.00 23.55 O ATOM 651 CB GLU A2052 0.484 3.569 10.225 1.00 73.24 C ATOM 652 CG GLU A2052 1.656 4.552 10.260 1.00 32.22 C ATOM 653 CD GLU A2052 1.318 5.778 11.111 1.00 22.21 C ATOM 654 OE1 GLU A2052 0.459 5.697 12.002 1.00 43.33 O ATOM 655 OE2 GLU A2052 1.983 6.844 10.819 1.00 73.40 O ATOM 0 H GLU A2052 -0.485 3.542 7.921 1.00 32.12 H new ATOM 0 HA GLU A2052 1.792 2.494 8.928 1.00 12.24 H new ATOM 0 HB2 GLU A2052 -0.431 4.098 9.959 1.00 73.24 H new ATOM 0 HB3 GLU A2052 0.330 3.145 11.217 1.00 73.24 H new ATOM 0 HG2 GLU A2052 2.539 4.057 10.664 1.00 32.22 H new ATOM 0 HG3 GLU A2052 1.903 4.866 9.246 1.00 32.22 H new ATOM 663 N PRO A2053 -0.829 0.805 10.108 1.00 64.42 N ATOM 664 CA PRO A2053 -1.228 -0.458 10.705 1.00 33.23 C ATOM 665 C PRO A2053 -1.161 -1.594 9.683 1.00 44.32 C ATOM 666 O PRO A2053 -0.621 -2.661 9.970 1.00 22.51 O ATOM 667 CB PRO A2053 -2.632 -0.216 11.234 1.00 23.41 C ATOM 668 CG PRO A2053 -3.145 1.016 10.508 1.00 13.03 C ATOM 669 CD PRO A2053 -1.958 1.691 9.841 1.00 75.14 C ATOM 0 HA PRO A2053 -0.562 -0.772 11.509 1.00 33.23 H new ATOM 0 HB2 PRO A2053 -3.274 -1.076 11.045 1.00 23.41 H new ATOM 0 HB3 PRO A2053 -2.621 -0.057 12.312 1.00 23.41 H new ATOM 0 HG2 PRO A2053 -3.893 0.738 9.765 1.00 13.03 H new ATOM 0 HG3 PRO A2053 -3.629 1.698 11.208 1.00 13.03 H new ATOM 0 HD2 PRO A2053 -2.122 1.812 8.770 1.00 75.14 H new ATOM 0 HD3 PRO A2053 -1.786 2.686 10.252 1.00 75.14 H new ATOM 677 N LEU A2054 -1.717 -1.325 8.510 1.00 41.23 N ATOM 678 CA LEU A2054 -1.727 -2.312 7.443 1.00 15.23 C ATOM 679 C LEU A2054 -0.313 -2.864 7.253 1.00 41.41 C ATOM 680 O LEU A2054 -0.102 -4.074 7.310 1.00 70.03 O ATOM 681 CB LEU A2054 -2.331 -1.717 6.171 1.00 73.24 C ATOM 682 CG LEU A2054 -3.852 -1.547 6.166 1.00 42.30 C ATOM 683 CD1 LEU A2054 -4.303 -0.667 4.997 1.00 3.33 C ATOM 684 CD2 LEU A2054 -4.556 -2.904 6.168 1.00 65.51 C ATOM 0 H LEU A2054 -2.163 -0.438 8.275 1.00 41.23 H new ATOM 0 HA LEU A2054 -2.366 -3.155 7.708 1.00 15.23 H new ATOM 0 HB2 LEU A2054 -1.876 -0.742 5.998 1.00 73.24 H new ATOM 0 HB3 LEU A2054 -2.054 -2.352 5.329 1.00 73.24 H new ATOM 0 HG LEU A2054 -4.141 -1.034 7.084 1.00 42.30 H new ATOM 0 HD11 LEU A2054 -5.388 -0.563 5.017 1.00 3.33 H new ATOM 0 HD12 LEU A2054 -3.842 0.317 5.083 1.00 3.33 H new ATOM 0 HD13 LEU A2054 -4.000 -1.128 4.057 1.00 3.33 H new ATOM 0 HD21 LEU A2054 -5.636 -2.754 6.164 1.00 65.51 H new ATOM 0 HD22 LEU A2054 -4.265 -3.466 5.281 1.00 65.51 H new ATOM 0 HD23 LEU A2054 -4.270 -3.461 7.060 1.00 65.51 H new ATOM 696 N HIS A2055 0.621 -1.950 7.030 1.00 71.13 N ATOM 697 CA HIS A2055 2.008 -2.330 6.829 1.00 0.41 C ATOM 698 C HIS A2055 2.522 -3.066 8.069 1.00 43.23 C ATOM 699 O HIS A2055 3.080 -4.156 7.960 1.00 74.01 O ATOM 700 CB HIS A2055 2.859 -1.111 6.467 1.00 33.02 C ATOM 701 CG HIS A2055 2.518 -0.499 5.131 1.00 31.15 C ATOM 702 ND1 HIS A2055 2.813 0.815 4.811 1.00 74.15 N ATOM 703 CD2 HIS A2055 1.908 -1.034 4.035 1.00 12.14 C ATOM 704 CE1 HIS A2055 2.392 1.049 3.576 1.00 55.11 C ATOM 705 NE2 HIS A2055 1.832 -0.098 3.098 1.00 74.32 N ATOM 0 H HIS A2055 0.443 -0.947 6.984 1.00 71.13 H new ATOM 0 HA HIS A2055 2.083 -3.015 5.985 1.00 0.41 H new ATOM 0 HB2 HIS A2055 2.740 -0.354 7.243 1.00 33.02 H new ATOM 0 HB3 HIS A2055 3.909 -1.402 6.464 1.00 33.02 H new ATOM 0 HD2 HIS A2055 1.548 -2.048 3.945 1.00 12.14 H new ATOM 0 HE1 HIS A2055 2.478 1.984 3.042 1.00 55.11 H new ATOM 0 HE2 HIS A2055 1.422 -0.217 2.172 1.00 74.32 H new ATOM 714 N ALA A2056 2.315 -2.440 9.217 1.00 35.42 N ATOM 715 CA ALA A2056 2.751 -3.020 10.477 1.00 22.20 C ATOM 716 C ALA A2056 2.187 -4.437 10.600 1.00 23.53 C ATOM 717 O ALA A2056 2.923 -5.378 10.896 1.00 11.35 O ATOM 718 CB ALA A2056 2.318 -2.119 11.632 1.00 55.44 C ATOM 0 H ALA A2056 1.851 -1.536 9.302 1.00 35.42 H new ATOM 0 HA ALA A2056 3.838 -3.092 10.511 1.00 22.20 H new ATOM 0 HB1 ALA A2056 2.645 -2.555 12.576 1.00 55.44 H new ATOM 0 HB2 ALA A2056 2.767 -1.133 11.512 1.00 55.44 H new ATOM 0 HB3 ALA A2056 1.232 -2.025 11.633 1.00 55.44 H new ATOM 724 N MET A2057 0.887 -4.546 10.367 1.00 24.35 N ATOM 725 CA MET A2057 0.217 -5.834 10.448 1.00 14.42 C ATOM 726 C MET A2057 0.947 -6.886 9.611 1.00 32.25 C ATOM 727 O MET A2057 1.038 -8.045 10.008 1.00 20.44 O ATOM 728 CB MET A2057 -1.223 -5.691 9.950 1.00 11.14 C ATOM 729 CG MET A2057 -1.519 -6.700 8.838 1.00 53.05 C ATOM 730 SD MET A2057 -3.263 -6.691 8.456 1.00 23.21 S ATOM 731 CE MET A2057 -3.205 -7.144 6.730 1.00 51.41 C ATOM 0 H MET A2057 0.280 -3.764 10.122 1.00 24.35 H new ATOM 0 HA MET A2057 0.220 -6.161 11.488 1.00 14.42 H new ATOM 0 HB2 MET A2057 -1.915 -5.843 10.778 1.00 11.14 H new ATOM 0 HB3 MET A2057 -1.385 -4.678 9.581 1.00 11.14 H new ATOM 0 HG2 MET A2057 -0.942 -6.452 7.947 1.00 53.05 H new ATOM 0 HG3 MET A2057 -1.211 -7.698 9.150 1.00 53.05 H new ATOM 0 HE1 MET A2057 -4.192 -7.477 6.408 1.00 51.41 H new ATOM 0 HE2 MET A2057 -2.902 -6.281 6.137 1.00 51.41 H new ATOM 0 HE3 MET A2057 -2.486 -7.951 6.590 1.00 51.41 H new ATOM 741 N MET A2058 1.447 -6.442 8.466 1.00 13.33 N ATOM 742 CA MET A2058 2.165 -7.333 7.570 1.00 52.23 C ATOM 743 C MET A2058 3.519 -7.733 8.163 1.00 60.44 C ATOM 744 O MET A2058 3.988 -8.849 7.945 1.00 61.22 O ATOM 745 CB MET A2058 2.383 -6.633 6.226 1.00 5.14 C ATOM 746 CG MET A2058 1.048 -6.309 5.552 1.00 4.31 C ATOM 747 SD MET A2058 0.752 -7.444 4.208 1.00 62.13 S ATOM 748 CE MET A2058 -0.961 -7.841 4.509 1.00 22.44 C ATOM 0 H MET A2058 1.369 -5.479 8.139 1.00 13.33 H new ATOM 0 HA MET A2058 1.571 -8.236 7.430 1.00 52.23 H new ATOM 0 HB2 MET A2058 2.950 -5.714 6.378 1.00 5.14 H new ATOM 0 HB3 MET A2058 2.979 -7.270 5.573 1.00 5.14 H new ATOM 0 HG2 MET A2058 0.239 -6.375 6.279 1.00 4.31 H new ATOM 0 HG3 MET A2058 1.059 -5.285 5.179 1.00 4.31 H new ATOM 0 HE1 MET A2058 -1.431 -8.156 3.577 1.00 22.44 H new ATOM 0 HE2 MET A2058 -1.025 -8.649 5.238 1.00 22.44 H new ATOM 0 HE3 MET A2058 -1.476 -6.962 4.896 1.00 22.44 H new ATOM 758 N GLU A2059 4.104 -6.802 8.900 1.00 55.13 N ATOM 759 CA GLU A2059 5.394 -7.044 9.526 1.00 62.11 C ATOM 760 C GLU A2059 5.236 -7.997 10.713 1.00 63.22 C ATOM 761 O GLU A2059 5.779 -9.100 10.705 1.00 55.34 O ATOM 762 CB GLU A2059 6.049 -5.730 9.958 1.00 24.43 C ATOM 763 CG GLU A2059 5.823 -4.635 8.915 1.00 52.23 C ATOM 764 CD GLU A2059 6.993 -3.650 8.893 1.00 50.45 C ATOM 765 OE1 GLU A2059 8.151 -4.065 8.746 1.00 24.14 O ATOM 766 OE2 GLU A2059 6.665 -2.410 9.035 1.00 63.24 O ATOM 0 H GLU A2059 3.710 -5.878 9.079 1.00 55.13 H new ATOM 0 HA GLU A2059 6.051 -7.514 8.794 1.00 62.11 H new ATOM 0 HB2 GLU A2059 5.639 -5.414 10.917 1.00 24.43 H new ATOM 0 HB3 GLU A2059 7.118 -5.883 10.103 1.00 24.43 H new ATOM 0 HG2 GLU A2059 5.703 -5.085 7.930 1.00 52.23 H new ATOM 0 HG3 GLU A2059 4.898 -4.102 9.136 1.00 52.23 H new ATOM 774 N ARG A2060 4.489 -7.535 11.705 1.00 1.31 N ATOM 775 CA ARG A2060 4.253 -8.332 12.899 1.00 43.05 C ATOM 776 C ARG A2060 3.280 -9.471 12.590 1.00 54.03 C ATOM 777 O ARG A2060 3.219 -10.456 13.326 1.00 71.35 O ATOM 778 CB ARG A2060 3.684 -7.475 14.030 1.00 52.04 C ATOM 779 CG ARG A2060 2.308 -6.920 13.657 1.00 73.34 C ATOM 780 CD ARG A2060 1.821 -5.912 14.701 1.00 31.53 C ATOM 781 NE ARG A2060 0.926 -6.582 15.671 1.00 33.32 N ATOM 782 CZ ARG A2060 0.538 -6.039 16.844 1.00 60.20 C ATOM 783 NH1 ARG A2060 0.965 -4.810 17.206 1.00 43.34 N ATOM 784 NH2 ARG A2060 -0.264 -6.726 17.635 1.00 32.14 N ATOM 0 H ARG A2060 4.039 -6.620 11.707 1.00 1.31 H new ATOM 0 HA ARG A2060 5.210 -8.743 13.219 1.00 43.05 H new ATOM 0 HB2 ARG A2060 3.606 -8.071 14.939 1.00 52.04 H new ATOM 0 HB3 ARG A2060 4.366 -6.652 14.246 1.00 52.04 H new ATOM 0 HG2 ARG A2060 2.358 -6.441 12.679 1.00 73.34 H new ATOM 0 HG3 ARG A2060 1.592 -7.738 13.575 1.00 73.34 H new ATOM 0 HD2 ARG A2060 2.673 -5.474 15.222 1.00 31.53 H new ATOM 0 HD3 ARG A2060 1.293 -5.094 14.211 1.00 31.53 H new ATOM 0 HE ARG A2060 0.581 -7.513 15.438 1.00 33.32 H new ATOM 0 HH11 ARG A2060 1.586 -4.284 16.591 1.00 43.34 H new ATOM 0 HH12 ARG A2060 0.667 -4.408 18.094 1.00 43.34 H new ATOM 0 HH21 ARG A2060 -0.582 -7.654 17.357 1.00 32.14 H new ATOM 0 HH22 ARG A2060 -0.566 -6.329 18.525 1.00 32.14 H new ATOM 796 N GLY A2061 2.542 -9.301 11.504 1.00 43.03 N ATOM 797 CA GLY A2061 1.575 -10.302 11.090 1.00 50.11 C ATOM 798 C GLY A2061 1.879 -10.809 9.678 1.00 33.05 C ATOM 799 O GLY A2061 1.190 -10.449 8.725 1.00 53.41 O ATOM 0 H GLY A2061 2.594 -8.483 10.897 1.00 43.03 H new ATOM 0 HA2 GLY A2061 1.588 -11.137 11.791 1.00 50.11 H new ATOM 0 HA3 GLY A2061 0.572 -9.877 11.119 1.00 50.11 H new ATOM 803 N PRO A2062 2.938 -11.657 9.590 1.00 43.51 N ATOM 804 CA PRO A2062 3.342 -12.217 8.311 1.00 45.32 C ATOM 805 C PRO A2062 2.378 -13.318 7.864 1.00 20.14 C ATOM 806 O PRO A2062 1.262 -13.417 8.375 1.00 14.21 O ATOM 807 CB PRO A2062 4.758 -12.721 8.530 1.00 35.02 C ATOM 808 CG PRO A2062 4.926 -12.848 10.037 1.00 60.52 C ATOM 809 CD PRO A2062 3.775 -12.104 10.698 1.00 4.31 C ATOM 0 HA PRO A2062 3.315 -11.484 7.505 1.00 45.32 H new ATOM 0 HB2 PRO A2062 4.912 -13.681 8.037 1.00 35.02 H new ATOM 0 HB3 PRO A2062 5.488 -12.028 8.112 1.00 35.02 H new ATOM 0 HG2 PRO A2062 4.924 -13.897 10.334 1.00 60.52 H new ATOM 0 HG3 PRO A2062 5.882 -12.429 10.351 1.00 60.52 H new ATOM 0 HD2 PRO A2062 3.221 -12.753 11.376 1.00 4.31 H new ATOM 0 HD3 PRO A2062 4.135 -11.261 11.288 1.00 4.31 H new ATOM 817 N GLN A2063 2.841 -14.119 6.916 1.00 54.30 N ATOM 818 CA GLN A2063 2.033 -15.208 6.395 1.00 0.43 C ATOM 819 C GLN A2063 2.857 -16.496 6.330 1.00 40.31 C ATOM 820 O GLN A2063 2.416 -17.543 6.798 1.00 23.03 O ATOM 821 CB GLN A2063 1.457 -14.857 5.022 1.00 32.23 C ATOM 822 CG GLN A2063 0.155 -15.617 4.763 1.00 72.11 C ATOM 823 CD GLN A2063 -0.915 -14.690 4.182 1.00 24.33 C ATOM 824 OE1 GLN A2063 -0.630 -13.723 3.497 1.00 44.54 O ATOM 825 NE2 GLN A2063 -2.160 -15.041 4.495 1.00 41.44 N ATOM 0 H GLN A2063 3.766 -14.035 6.495 1.00 54.30 H new ATOM 0 HA GLN A2063 1.195 -15.368 7.073 1.00 0.43 H new ATOM 0 HB2 GLN A2063 1.274 -13.784 4.964 1.00 32.23 H new ATOM 0 HB3 GLN A2063 2.184 -15.098 4.246 1.00 32.23 H new ATOM 0 HG2 GLN A2063 0.341 -16.440 4.073 1.00 72.11 H new ATOM 0 HG3 GLN A2063 -0.205 -16.056 5.693 1.00 72.11 H new ATOM 0 HE21 GLN A2063 -2.328 -15.864 5.074 1.00 41.44 H new ATOM 0 HE22 GLN A2063 -2.947 -14.487 4.156 1.00 41.44 H new ATOM 834 N THR A2064 4.041 -16.374 5.747 1.00 44.13 N ATOM 835 CA THR A2064 4.932 -17.515 5.614 1.00 71.13 C ATOM 836 C THR A2064 6.233 -17.098 4.924 1.00 33.13 C ATOM 837 O THR A2064 6.298 -16.039 4.302 1.00 21.23 O ATOM 838 CB THR A2064 4.176 -18.619 4.872 1.00 45.41 C ATOM 839 OG1 THR A2064 5.207 -19.396 4.266 1.00 44.31 O ATOM 840 CG2 THR A2064 3.369 -18.083 3.688 1.00 4.03 C ATOM 0 H THR A2064 4.404 -15.502 5.361 1.00 44.13 H new ATOM 0 HA THR A2064 5.229 -17.903 6.589 1.00 71.13 H new ATOM 0 HB THR A2064 3.507 -19.130 5.564 1.00 45.41 H new ATOM 0 HG1 THR A2064 4.807 -20.137 3.765 1.00 44.31 H new ATOM 0 HG21 THR A2064 2.852 -18.908 3.197 1.00 4.03 H new ATOM 0 HG22 THR A2064 2.638 -17.358 4.045 1.00 4.03 H new ATOM 0 HG23 THR A2064 4.041 -17.601 2.978 1.00 4.03 H new ATOM 848 N LEU A2065 7.236 -17.954 5.059 1.00 33.31 N ATOM 849 CA LEU A2065 8.531 -17.688 4.457 1.00 21.43 C ATOM 850 C LEU A2065 8.337 -17.300 2.990 1.00 63.13 C ATOM 851 O LEU A2065 9.163 -16.591 2.416 1.00 32.03 O ATOM 852 CB LEU A2065 9.469 -18.881 4.659 1.00 42.23 C ATOM 853 CG LEU A2065 10.920 -18.540 5.001 1.00 13.45 C ATOM 854 CD1 LEU A2065 11.701 -18.135 3.748 1.00 71.40 C ATOM 855 CD2 LEU A2065 10.990 -17.467 6.089 1.00 21.23 C ATOM 0 H LEU A2065 7.178 -18.831 5.576 1.00 33.31 H new ATOM 0 HA LEU A2065 9.014 -16.844 4.949 1.00 21.43 H new ATOM 0 HB2 LEU A2065 9.065 -19.505 5.456 1.00 42.23 H new ATOM 0 HB3 LEU A2065 9.462 -19.482 3.750 1.00 42.23 H new ATOM 0 HG LEU A2065 11.394 -19.437 5.400 1.00 13.45 H new ATOM 0 HD11 LEU A2065 12.729 -17.898 4.021 1.00 71.40 H new ATOM 0 HD12 LEU A2065 11.696 -18.959 3.034 1.00 71.40 H new ATOM 0 HD13 LEU A2065 11.235 -17.260 3.296 1.00 71.40 H new ATOM 0 HD21 LEU A2065 12.033 -17.243 6.313 1.00 21.23 H new ATOM 0 HD22 LEU A2065 10.492 -16.562 5.740 1.00 21.23 H new ATOM 0 HD23 LEU A2065 10.495 -17.830 6.990 1.00 21.23 H new ATOM 867 N LYS A2066 7.239 -17.779 2.423 1.00 0.34 N ATOM 868 CA LYS A2066 6.927 -17.491 1.035 1.00 54.02 C ATOM 869 C LYS A2066 6.473 -16.035 0.911 1.00 64.31 C ATOM 870 O LYS A2066 6.776 -15.369 -0.079 1.00 33.11 O ATOM 871 CB LYS A2066 5.910 -18.499 0.493 1.00 30.42 C ATOM 872 CG LYS A2066 6.570 -19.854 0.230 1.00 32.43 C ATOM 873 CD LYS A2066 5.596 -20.814 -0.457 1.00 35.24 C ATOM 874 CE LYS A2066 6.153 -22.238 -0.480 1.00 32.25 C ATOM 875 NZ LYS A2066 5.991 -22.879 0.845 1.00 61.43 N ATOM 0 H LYS A2066 6.555 -18.365 2.901 1.00 0.34 H new ATOM 0 HA LYS A2066 7.816 -17.604 0.414 1.00 54.02 H new ATOM 0 HB2 LYS A2066 5.095 -18.619 1.207 1.00 30.42 H new ATOM 0 HB3 LYS A2066 5.471 -18.119 -0.430 1.00 30.42 H new ATOM 0 HG2 LYS A2066 7.453 -19.717 -0.394 1.00 32.43 H new ATOM 0 HG3 LYS A2066 6.909 -20.286 1.171 1.00 32.43 H new ATOM 0 HD2 LYS A2066 4.639 -20.802 0.065 1.00 35.24 H new ATOM 0 HD3 LYS A2066 5.407 -20.477 -1.476 1.00 35.24 H new ATOM 0 HE2 LYS A2066 5.637 -22.825 -1.240 1.00 32.25 H new ATOM 0 HE3 LYS A2066 7.208 -22.218 -0.755 1.00 32.25 H new ATOM 0 HZ1 LYS A2066 6.280 -23.876 0.786 1.00 61.43 H new ATOM 0 HZ2 LYS A2066 6.584 -22.387 1.543 1.00 61.43 H new ATOM 0 HZ3 LYS A2066 4.995 -22.824 1.138 1.00 61.43 H new ATOM 888 N GLU A2067 5.755 -15.583 1.927 1.00 32.23 N ATOM 889 CA GLU A2067 5.257 -14.217 1.945 1.00 42.10 C ATOM 890 C GLU A2067 6.374 -13.241 1.570 1.00 62.32 C ATOM 891 O GLU A2067 6.106 -12.124 1.133 1.00 73.54 O ATOM 892 CB GLU A2067 4.658 -13.870 3.309 1.00 14.31 C ATOM 893 CG GLU A2067 5.754 -13.502 4.311 1.00 11.31 C ATOM 894 CD GLU A2067 5.874 -11.984 4.461 1.00 62.43 C ATOM 895 OE1 GLU A2067 5.111 -11.237 3.828 1.00 50.04 O ATOM 896 OE2 GLU A2067 6.797 -11.585 5.267 1.00 34.43 O ATOM 0 H GLU A2067 5.505 -16.138 2.745 1.00 32.23 H new ATOM 0 HA GLU A2067 4.462 -14.130 1.204 1.00 42.10 H new ATOM 0 HB2 GLU A2067 3.962 -13.038 3.204 1.00 14.31 H new ATOM 0 HB3 GLU A2067 4.086 -14.718 3.685 1.00 14.31 H new ATOM 0 HG2 GLU A2067 5.531 -13.950 5.279 1.00 11.31 H new ATOM 0 HG3 GLU A2067 6.707 -13.915 3.980 1.00 11.31 H new ATOM 904 N THR A2068 7.603 -13.699 1.758 1.00 61.53 N ATOM 905 CA THR A2068 8.762 -12.879 1.445 1.00 10.23 C ATOM 906 C THR A2068 8.684 -12.374 0.004 1.00 43.43 C ATOM 907 O THR A2068 8.978 -11.211 -0.268 1.00 45.40 O ATOM 908 CB THR A2068 10.017 -13.705 1.734 1.00 12.12 C ATOM 909 OG1 THR A2068 9.840 -14.887 0.958 1.00 20.30 O ATOM 910 CG2 THR A2068 10.067 -14.210 3.177 1.00 63.31 C ATOM 0 H THR A2068 7.822 -14.626 2.123 1.00 61.53 H new ATOM 0 HA THR A2068 8.794 -11.985 2.067 1.00 10.23 H new ATOM 0 HB THR A2068 10.903 -13.103 1.530 1.00 12.12 H new ATOM 0 HG1 THR A2068 9.889 -15.672 1.542 1.00 20.30 H new ATOM 0 HG21 THR A2068 10.977 -14.790 3.328 1.00 63.31 H new ATOM 0 HG22 THR A2068 10.060 -13.361 3.860 1.00 63.31 H new ATOM 0 HG23 THR A2068 9.199 -14.840 3.372 1.00 63.31 H new ATOM 918 N SER A2069 8.289 -13.275 -0.885 1.00 62.13 N ATOM 919 CA SER A2069 8.170 -12.934 -2.293 1.00 24.15 C ATOM 920 C SER A2069 7.286 -11.698 -2.459 1.00 74.40 C ATOM 921 O SER A2069 7.620 -10.788 -3.217 1.00 35.42 O ATOM 922 CB SER A2069 7.601 -14.105 -3.096 1.00 15.04 C ATOM 923 OG SER A2069 8.469 -14.500 -4.153 1.00 43.41 O ATOM 0 H SER A2069 8.048 -14.240 -0.658 1.00 62.13 H new ATOM 0 HA SER A2069 9.166 -12.714 -2.677 1.00 24.15 H new ATOM 0 HB2 SER A2069 7.431 -14.952 -2.431 1.00 15.04 H new ATOM 0 HB3 SER A2069 6.632 -13.824 -3.509 1.00 15.04 H new ATOM 0 HG SER A2069 8.070 -15.251 -4.640 1.00 43.41 H new ATOM 929 N PHE A2070 6.172 -11.704 -1.739 1.00 33.02 N ATOM 930 CA PHE A2070 5.238 -10.594 -1.798 1.00 72.13 C ATOM 931 C PHE A2070 5.799 -9.364 -1.081 1.00 33.33 C ATOM 932 O PHE A2070 5.880 -8.285 -1.664 1.00 71.14 O ATOM 933 CB PHE A2070 3.961 -11.046 -1.085 1.00 74.43 C ATOM 934 CG PHE A2070 2.672 -10.628 -1.794 1.00 34.01 C ATOM 935 CD1 PHE A2070 2.198 -11.364 -2.835 1.00 73.12 C ATOM 936 CD2 PHE A2070 1.997 -9.520 -1.384 1.00 11.55 C ATOM 937 CE1 PHE A2070 1.001 -10.976 -3.493 1.00 54.42 C ATOM 938 CE2 PHE A2070 0.800 -9.133 -2.042 1.00 75.44 C ATOM 939 CZ PHE A2070 0.327 -9.869 -3.083 1.00 1.44 C ATOM 0 H PHE A2070 5.897 -12.460 -1.112 1.00 33.02 H new ATOM 0 HA PHE A2070 5.051 -10.321 -2.837 1.00 72.13 H new ATOM 0 HB2 PHE A2070 3.975 -12.132 -0.989 1.00 74.43 H new ATOM 0 HB3 PHE A2070 3.957 -10.637 -0.075 1.00 74.43 H new ATOM 0 HD1 PHE A2070 2.732 -12.244 -3.161 1.00 73.12 H new ATOM 0 HD2 PHE A2070 2.372 -8.935 -0.558 1.00 11.55 H new ATOM 0 HE1 PHE A2070 0.626 -11.561 -4.320 1.00 54.42 H new ATOM 0 HE2 PHE A2070 0.265 -8.254 -1.716 1.00 75.44 H new ATOM 0 HZ PHE A2070 -0.583 -9.574 -3.584 1.00 1.44 H new ATOM 949 N ASN A2071 6.174 -9.569 0.173 1.00 72.12 N ATOM 950 CA ASN A2071 6.726 -8.492 0.975 1.00 12.50 C ATOM 951 C ASN A2071 7.940 -7.897 0.257 1.00 22.30 C ATOM 952 O ASN A2071 8.181 -6.693 0.331 1.00 24.42 O ATOM 953 CB ASN A2071 7.188 -9.004 2.342 1.00 40.15 C ATOM 954 CG ASN A2071 7.668 -7.851 3.224 1.00 74.50 C ATOM 955 OD1 ASN A2071 7.671 -6.694 2.834 1.00 35.34 O ATOM 956 ND2 ASN A2071 8.074 -8.228 4.434 1.00 73.31 N ATOM 0 H ASN A2071 6.106 -10.466 0.653 1.00 72.12 H new ATOM 0 HA ASN A2071 5.947 -7.743 1.115 1.00 12.50 H new ATOM 0 HB2 ASN A2071 6.368 -9.527 2.835 1.00 40.15 H new ATOM 0 HB3 ASN A2071 7.994 -9.726 2.211 1.00 40.15 H new ATOM 0 HD21 ASN A2071 8.413 -7.532 5.098 1.00 73.31 H new ATOM 0 HD22 ASN A2071 8.046 -9.213 4.698 1.00 73.31 H new ATOM 963 N GLN A2072 8.672 -8.770 -0.420 1.00 14.43 N ATOM 964 CA GLN A2072 9.855 -8.347 -1.149 1.00 13.12 C ATOM 965 C GLN A2072 9.460 -7.752 -2.503 1.00 75.33 C ATOM 966 O GLN A2072 9.952 -6.692 -2.886 1.00 60.22 O ATOM 967 CB GLN A2072 10.835 -9.509 -1.327 1.00 72.23 C ATOM 968 CG GLN A2072 11.476 -9.894 0.006 1.00 11.54 C ATOM 969 CD GLN A2072 12.985 -10.092 -0.148 1.00 14.12 C ATOM 970 OE1 GLN A2072 13.775 -9.174 0.004 1.00 62.35 O ATOM 971 NE2 GLN A2072 13.340 -11.337 -0.454 1.00 13.43 N ATOM 0 H GLN A2072 8.468 -9.768 -0.479 1.00 14.43 H new ATOM 0 HA GLN A2072 10.359 -7.575 -0.567 1.00 13.12 H new ATOM 0 HB2 GLN A2072 10.312 -10.369 -1.745 1.00 72.23 H new ATOM 0 HB3 GLN A2072 11.610 -9.229 -2.040 1.00 72.23 H new ATOM 0 HG2 GLN A2072 11.281 -9.117 0.745 1.00 11.54 H new ATOM 0 HG3 GLN A2072 11.022 -10.811 0.381 1.00 11.54 H new ATOM 0 HE21 GLN A2072 12.627 -12.058 -0.567 1.00 13.43 H new ATOM 0 HE22 GLN A2072 14.325 -11.571 -0.576 1.00 13.43 H new ATOM 980 N ALA A2073 8.573 -8.459 -3.188 1.00 52.12 N ATOM 981 CA ALA A2073 8.105 -8.015 -4.489 1.00 33.10 C ATOM 982 C ALA A2073 7.856 -6.504 -4.448 1.00 13.22 C ATOM 983 O ALA A2073 8.357 -5.766 -5.293 1.00 52.20 O ATOM 984 CB ALA A2073 6.853 -8.801 -4.879 1.00 34.22 C ATOM 0 H ALA A2073 8.166 -9.337 -2.866 1.00 52.12 H new ATOM 0 HA ALA A2073 8.859 -8.205 -5.253 1.00 33.10 H new ATOM 0 HB1 ALA A2073 6.503 -8.467 -5.856 1.00 34.22 H new ATOM 0 HB2 ALA A2073 7.090 -9.864 -4.923 1.00 34.22 H new ATOM 0 HB3 ALA A2073 6.072 -8.633 -4.137 1.00 34.22 H new ATOM 990 N TYR A2074 7.082 -6.091 -3.454 1.00 62.02 N ATOM 991 CA TYR A2074 6.761 -4.684 -3.292 1.00 71.23 C ATOM 992 C TYR A2074 7.608 -4.052 -2.186 1.00 61.55 C ATOM 993 O TYR A2074 7.646 -2.830 -2.049 1.00 21.32 O ATOM 994 CB TYR A2074 5.287 -4.633 -2.880 1.00 43.43 C ATOM 995 CG TYR A2074 4.359 -5.439 -3.791 1.00 42.12 C ATOM 996 CD1 TYR A2074 4.397 -5.250 -5.159 1.00 34.33 C ATOM 997 CD2 TYR A2074 3.484 -6.357 -3.246 1.00 52.40 C ATOM 998 CE1 TYR A2074 3.522 -6.008 -6.014 1.00 65.11 C ATOM 999 CE2 TYR A2074 2.609 -7.115 -4.102 1.00 43.44 C ATOM 1000 CZ TYR A2074 2.671 -6.904 -5.445 1.00 3.43 C ATOM 1001 OH TYR A2074 1.847 -7.620 -6.253 1.00 43.44 O ATOM 0 H TYR A2074 6.668 -6.706 -2.754 1.00 62.02 H new ATOM 0 HA TYR A2074 6.958 -4.137 -4.214 1.00 71.23 H new ATOM 0 HB2 TYR A2074 5.192 -5.006 -1.860 1.00 43.43 H new ATOM 0 HB3 TYR A2074 4.958 -3.594 -2.871 1.00 43.43 H new ATOM 0 HD1 TYR A2074 5.083 -4.534 -5.587 1.00 34.33 H new ATOM 0 HD2 TYR A2074 3.456 -6.507 -2.177 1.00 52.40 H new ATOM 0 HE1 TYR A2074 3.541 -5.868 -7.085 1.00 65.11 H new ATOM 0 HE2 TYR A2074 1.919 -7.835 -3.688 1.00 43.44 H new ATOM 0 HH TYR A2074 1.296 -8.221 -5.709 1.00 43.44 H new ATOM 1011 N GLY A2075 8.269 -4.913 -1.427 1.00 30.22 N ATOM 1012 CA GLY A2075 9.114 -4.456 -0.337 1.00 54.35 C ATOM 1013 C GLY A2075 9.926 -3.226 -0.753 1.00 74.53 C ATOM 1014 O GLY A2075 10.184 -2.343 0.063 1.00 14.21 O ATOM 0 H GLY A2075 8.237 -5.926 -1.545 1.00 30.22 H new ATOM 0 HA2 GLY A2075 8.498 -4.214 0.529 1.00 54.35 H new ATOM 0 HA3 GLY A2075 9.789 -5.257 -0.034 1.00 54.35 H new ATOM 1018 N ARG A2076 10.307 -3.209 -2.022 1.00 65.52 N ATOM 1019 CA ARG A2076 11.084 -2.103 -2.555 1.00 63.53 C ATOM 1020 C ARG A2076 10.171 -0.919 -2.876 1.00 71.24 C ATOM 1021 O ARG A2076 10.525 0.231 -2.614 1.00 24.13 O ATOM 1022 CB ARG A2076 11.834 -2.519 -3.824 1.00 34.54 C ATOM 1023 CG ARG A2076 13.347 -2.462 -3.610 1.00 35.53 C ATOM 1024 CD ARG A2076 13.775 -1.089 -3.090 1.00 11.54 C ATOM 1025 NE ARG A2076 15.213 -0.870 -3.365 1.00 13.40 N ATOM 1026 CZ ARG A2076 16.214 -1.388 -2.620 1.00 51.14 C ATOM 1027 NH1 ARG A2076 15.940 -2.161 -1.548 1.00 72.33 N ATOM 1028 NH2 ARG A2076 17.463 -1.128 -2.957 1.00 63.44 N ATOM 0 H ARG A2076 10.092 -3.943 -2.696 1.00 65.52 H new ATOM 0 HA ARG A2076 11.810 -1.811 -1.796 1.00 63.53 H new ATOM 0 HB2 ARG A2076 11.541 -3.530 -4.109 1.00 34.54 H new ATOM 0 HB3 ARG A2076 11.555 -1.862 -4.648 1.00 34.54 H new ATOM 0 HG2 ARG A2076 13.647 -3.233 -2.901 1.00 35.53 H new ATOM 0 HG3 ARG A2076 13.859 -2.675 -4.548 1.00 35.53 H new ATOM 0 HD2 ARG A2076 13.182 -0.309 -3.567 1.00 11.54 H new ATOM 0 HD3 ARG A2076 13.587 -1.022 -2.018 1.00 11.54 H new ATOM 0 HE ARG A2076 15.464 -0.292 -4.167 1.00 13.40 H new ATOM 0 HH11 ARG A2076 14.972 -2.358 -1.295 1.00 72.33 H new ATOM 0 HH12 ARG A2076 16.701 -2.548 -0.991 1.00 72.33 H new ATOM 0 HH21 ARG A2076 17.661 -0.544 -3.769 1.00 63.44 H new ATOM 0 HH22 ARG A2076 18.230 -1.511 -2.405 1.00 63.44 H new ATOM 1040 N ASP A2077 9.014 -1.239 -3.437 1.00 30.01 N ATOM 1041 CA ASP A2077 8.047 -0.215 -3.795 1.00 45.31 C ATOM 1042 C ASP A2077 7.604 0.526 -2.532 1.00 24.30 C ATOM 1043 O ASP A2077 7.765 1.741 -2.432 1.00 11.53 O ATOM 1044 CB ASP A2077 6.807 -0.831 -4.443 1.00 65.11 C ATOM 1045 CG ASP A2077 7.015 -1.367 -5.861 1.00 72.31 C ATOM 1046 OD1 ASP A2077 7.907 -2.192 -6.108 1.00 72.44 O ATOM 1047 OD2 ASP A2077 6.203 -0.895 -6.746 1.00 50.42 O ATOM 0 H ASP A2077 8.724 -2.193 -3.652 1.00 30.01 H new ATOM 0 HA ASP A2077 8.522 0.465 -4.502 1.00 45.31 H new ATOM 0 HB2 ASP A2077 6.453 -1.646 -3.811 1.00 65.11 H new ATOM 0 HB3 ASP A2077 6.017 -0.080 -4.467 1.00 65.11 H new ATOM 1053 N LEU A2078 7.052 -0.238 -1.601 1.00 30.42 N ATOM 1054 CA LEU A2078 6.583 0.332 -0.349 1.00 22.14 C ATOM 1055 C LEU A2078 7.707 1.153 0.285 1.00 53.33 C ATOM 1056 O LEU A2078 7.473 2.256 0.776 1.00 62.34 O ATOM 1057 CB LEU A2078 6.032 -0.766 0.565 1.00 13.51 C ATOM 1058 CG LEU A2078 4.646 -1.302 0.208 1.00 14.44 C ATOM 1059 CD1 LEU A2078 4.653 -1.975 -1.165 1.00 42.44 C ATOM 1060 CD2 LEU A2078 4.121 -2.237 1.301 1.00 4.42 C ATOM 0 H LEU A2078 6.919 -1.246 -1.688 1.00 30.42 H new ATOM 0 HA LEU A2078 5.752 1.014 -0.528 1.00 22.14 H new ATOM 0 HB2 LEU A2078 6.734 -1.600 0.562 1.00 13.51 H new ATOM 0 HB3 LEU A2078 5.999 -0.380 1.584 1.00 13.51 H new ATOM 0 HG LEU A2078 3.960 -0.457 0.148 1.00 14.44 H new ATOM 0 HD11 LEU A2078 3.654 -2.347 -1.393 1.00 42.44 H new ATOM 0 HD12 LEU A2078 4.953 -1.252 -1.923 1.00 42.44 H new ATOM 0 HD13 LEU A2078 5.357 -2.807 -1.159 1.00 42.44 H new ATOM 0 HD21 LEU A2078 3.133 -2.604 1.022 1.00 4.42 H new ATOM 0 HD22 LEU A2078 4.802 -3.080 1.417 1.00 4.42 H new ATOM 0 HD23 LEU A2078 4.053 -1.693 2.243 1.00 4.42 H new ATOM 1072 N MET A2079 8.903 0.584 0.254 1.00 72.24 N ATOM 1073 CA MET A2079 10.063 1.251 0.819 1.00 3.34 C ATOM 1074 C MET A2079 10.185 2.682 0.293 1.00 45.33 C ATOM 1075 O MET A2079 10.346 3.622 1.070 1.00 52.25 O ATOM 1076 CB MET A2079 11.327 0.466 0.462 1.00 41.23 C ATOM 1077 CG MET A2079 12.065 0.011 1.722 1.00 15.45 C ATOM 1078 SD MET A2079 12.407 -1.738 1.631 1.00 61.13 S ATOM 1079 CE MET A2079 11.170 -2.357 2.761 1.00 51.44 C ATOM 0 H MET A2079 9.094 -0.331 -0.154 1.00 72.24 H new ATOM 0 HA MET A2079 9.943 1.292 1.902 1.00 3.34 H new ATOM 0 HB2 MET A2079 11.062 -0.402 -0.142 1.00 41.23 H new ATOM 0 HB3 MET A2079 11.986 1.087 -0.145 1.00 41.23 H new ATOM 0 HG2 MET A2079 12.996 0.567 1.829 1.00 15.45 H new ATOM 0 HG3 MET A2079 11.462 0.227 2.604 1.00 15.45 H new ATOM 0 HE1 MET A2079 11.035 -3.427 2.603 1.00 51.44 H new ATOM 0 HE2 MET A2079 11.493 -2.180 3.787 1.00 51.44 H new ATOM 0 HE3 MET A2079 10.226 -1.842 2.584 1.00 51.44 H new ATOM 1089 N GLU A2080 10.102 2.804 -1.024 1.00 23.35 N ATOM 1090 CA GLU A2080 10.200 4.105 -1.663 1.00 25.43 C ATOM 1091 C GLU A2080 8.937 4.924 -1.395 1.00 71.34 C ATOM 1092 O GLU A2080 9.020 6.093 -1.018 1.00 64.31 O ATOM 1093 CB GLU A2080 10.450 3.959 -3.166 1.00 50.55 C ATOM 1094 CG GLU A2080 10.367 5.315 -3.871 1.00 33.25 C ATOM 1095 CD GLU A2080 11.145 5.298 -5.188 1.00 74.21 C ATOM 1096 OE1 GLU A2080 11.027 4.340 -5.963 1.00 43.44 O ATOM 1097 OE2 GLU A2080 11.892 6.330 -5.391 1.00 30.35 O ATOM 0 H GLU A2080 9.968 2.023 -1.666 1.00 23.35 H new ATOM 0 HA GLU A2080 11.051 4.636 -1.236 1.00 25.43 H new ATOM 0 HB2 GLU A2080 11.433 3.518 -3.333 1.00 50.55 H new ATOM 0 HB3 GLU A2080 9.717 3.276 -3.595 1.00 50.55 H new ATOM 0 HG2 GLU A2080 9.324 5.565 -4.064 1.00 33.25 H new ATOM 0 HG3 GLU A2080 10.766 6.092 -3.219 1.00 33.25 H new ATOM 1105 N ALA A2081 7.797 4.281 -1.598 1.00 23.32 N ATOM 1106 CA ALA A2081 6.519 4.936 -1.383 1.00 72.42 C ATOM 1107 C ALA A2081 6.483 5.524 0.029 1.00 42.42 C ATOM 1108 O ALA A2081 6.050 6.659 0.221 1.00 32.22 O ATOM 1109 CB ALA A2081 5.384 3.937 -1.626 1.00 22.12 C ATOM 0 H ALA A2081 7.732 3.312 -1.910 1.00 23.32 H new ATOM 0 HA ALA A2081 6.387 5.758 -2.087 1.00 72.42 H new ATOM 0 HB1 ALA A2081 4.425 4.429 -1.464 1.00 22.12 H new ATOM 0 HB2 ALA A2081 5.435 3.570 -2.651 1.00 22.12 H new ATOM 0 HB3 ALA A2081 5.483 3.099 -0.936 1.00 22.12 H new ATOM 1115 N GLN A2082 6.945 4.727 0.980 1.00 64.11 N ATOM 1116 CA GLN A2082 6.973 5.155 2.368 1.00 4.15 C ATOM 1117 C GLN A2082 7.924 6.342 2.539 1.00 30.45 C ATOM 1118 O GLN A2082 7.637 7.266 3.297 1.00 14.43 O ATOM 1119 CB GLN A2082 7.366 3.999 3.290 1.00 13.15 C ATOM 1120 CG GLN A2082 6.883 4.251 4.719 1.00 14.45 C ATOM 1121 CD GLN A2082 5.774 3.270 5.105 1.00 32.43 C ATOM 1122 OE1 GLN A2082 5.968 2.065 5.161 1.00 71.41 O ATOM 1123 NE2 GLN A2082 4.605 3.848 5.364 1.00 70.53 N ATOM 0 H GLN A2082 7.303 3.786 0.817 1.00 64.11 H new ATOM 0 HA GLN A2082 5.970 5.476 2.650 1.00 4.15 H new ATOM 0 HB2 GLN A2082 6.938 3.069 2.916 1.00 13.15 H new ATOM 0 HB3 GLN A2082 8.449 3.876 3.284 1.00 13.15 H new ATOM 0 HG2 GLN A2082 7.719 4.151 5.412 1.00 14.45 H new ATOM 0 HG3 GLN A2082 6.516 5.273 4.807 1.00 14.45 H new ATOM 0 HE21 GLN A2082 4.512 4.862 5.298 1.00 70.53 H new ATOM 0 HE22 GLN A2082 3.802 3.278 5.628 1.00 70.53 H new ATOM 1132 N GLU A2083 9.035 6.276 1.821 1.00 41.40 N ATOM 1133 CA GLU A2083 10.031 7.333 1.884 1.00 70.31 C ATOM 1134 C GLU A2083 9.411 8.670 1.473 1.00 64.32 C ATOM 1135 O GLU A2083 9.735 9.711 2.044 1.00 63.13 O ATOM 1136 CB GLU A2083 11.241 6.999 1.012 1.00 63.14 C ATOM 1137 CG GLU A2083 11.452 8.066 -0.066 1.00 11.42 C ATOM 1138 CD GLU A2083 12.631 7.704 -0.972 1.00 20.44 C ATOM 1139 OE1 GLU A2083 12.887 6.515 -1.211 1.00 52.30 O ATOM 1140 OE2 GLU A2083 13.290 8.711 -1.437 1.00 1.43 O ATOM 0 H GLU A2083 9.268 5.507 1.192 1.00 41.40 H new ATOM 0 HA GLU A2083 10.379 7.417 2.913 1.00 70.31 H new ATOM 0 HB2 GLU A2083 12.133 6.924 1.634 1.00 63.14 H new ATOM 0 HB3 GLU A2083 11.098 6.026 0.542 1.00 63.14 H new ATOM 0 HG2 GLU A2083 10.547 8.168 -0.664 1.00 11.42 H new ATOM 0 HG3 GLU A2083 11.633 9.032 0.404 1.00 11.42 H new ATOM 1148 N TRP A2084 8.529 8.599 0.486 1.00 34.31 N ATOM 1149 CA TRP A2084 7.861 9.791 -0.008 1.00 33.13 C ATOM 1150 C TRP A2084 6.822 10.216 1.033 1.00 23.41 C ATOM 1151 O TRP A2084 6.549 11.404 1.193 1.00 75.01 O ATOM 1152 CB TRP A2084 7.256 9.547 -1.392 1.00 0.11 C ATOM 1153 CG TRP A2084 8.293 9.296 -2.488 1.00 13.11 C ATOM 1154 CD1 TRP A2084 8.664 8.123 -3.020 1.00 70.33 C ATOM 1155 CD2 TRP A2084 9.083 10.292 -3.170 1.00 13.11 C ATOM 1156 NE1 TRP A2084 9.630 8.290 -3.990 1.00 53.12 N ATOM 1157 CE2 TRP A2084 9.893 9.652 -4.085 1.00 11.31 C ATOM 1158 CE3 TRP A2084 9.112 11.690 -3.019 1.00 74.21 C ATOM 1159 CZ2 TRP A2084 10.791 10.328 -4.919 1.00 31.31 C ATOM 1160 CZ3 TRP A2084 10.014 12.351 -3.860 1.00 43.24 C ATOM 1161 CH2 TRP A2084 10.837 11.721 -4.786 1.00 5.01 C ATOM 0 H TRP A2084 8.262 7.734 0.015 1.00 34.31 H new ATOM 0 HA TRP A2084 8.573 10.605 -0.142 1.00 33.13 H new ATOM 0 HB2 TRP A2084 6.585 8.690 -1.338 1.00 0.11 H new ATOM 0 HB3 TRP A2084 6.650 10.409 -1.670 1.00 0.11 H new ATOM 0 HD1 TRP A2084 8.257 7.167 -2.726 1.00 70.33 H new ATOM 0 HE1 TRP A2084 10.071 7.550 -4.537 1.00 53.12 H new ATOM 0 HE3 TRP A2084 8.487 12.212 -2.310 1.00 74.21 H new ATOM 0 HZ2 TRP A2084 11.415 9.803 -5.627 1.00 31.31 H new ATOM 0 HZ3 TRP A2084 10.075 13.427 -3.784 1.00 43.24 H new ATOM 0 HH2 TRP A2084 11.509 12.303 -5.400 1.00 5.01 H new ATOM 1172 N CYS A2085 6.270 9.222 1.711 1.00 32.41 N ATOM 1173 CA CYS A2085 5.267 9.477 2.731 1.00 12.24 C ATOM 1174 C CYS A2085 5.927 10.259 3.868 1.00 5.13 C ATOM 1175 O CYS A2085 5.397 11.275 4.316 1.00 32.23 O ATOM 1176 CB CYS A2085 4.624 8.181 3.229 1.00 13.42 C ATOM 1177 SG CYS A2085 3.011 7.926 2.402 1.00 60.22 S ATOM 0 H CYS A2085 6.498 8.237 1.574 1.00 32.41 H new ATOM 0 HA CYS A2085 4.456 10.068 2.307 1.00 12.24 H new ATOM 0 HB2 CYS A2085 5.283 7.337 3.027 1.00 13.42 H new ATOM 0 HB3 CYS A2085 4.485 8.226 4.309 1.00 13.42 H new ATOM 0 HG CYS A2085 2.474 6.822 2.830 1.00 60.22 H new ATOM 1183 N ARG A2086 7.074 9.757 4.302 1.00 40.51 N ATOM 1184 CA ARG A2086 7.812 10.398 5.378 1.00 62.41 C ATOM 1185 C ARG A2086 8.279 11.790 4.946 1.00 33.52 C ATOM 1186 O ARG A2086 8.219 12.738 5.728 1.00 24.02 O ATOM 1187 CB ARG A2086 9.028 9.562 5.785 1.00 32.12 C ATOM 1188 CG ARG A2086 8.597 8.265 6.472 1.00 71.22 C ATOM 1189 CD ARG A2086 8.992 7.044 5.638 1.00 53.53 C ATOM 1190 NE ARG A2086 10.057 6.284 6.330 1.00 65.33 N ATOM 1191 CZ ARG A2086 11.376 6.542 6.202 1.00 43.40 C ATOM 1192 NH1 ARG A2086 11.804 7.545 5.407 1.00 32.14 N ATOM 1193 NH2 ARG A2086 12.240 5.798 6.866 1.00 52.40 N ATOM 0 H ARG A2086 7.510 8.914 3.928 1.00 40.51 H new ATOM 0 HA ARG A2086 7.143 10.486 6.234 1.00 62.41 H new ATOM 0 HB2 ARG A2086 9.625 9.330 4.903 1.00 32.12 H new ATOM 0 HB3 ARG A2086 9.663 10.140 6.457 1.00 32.12 H new ATOM 0 HG2 ARG A2086 9.058 8.201 7.458 1.00 71.22 H new ATOM 0 HG3 ARG A2086 7.518 8.272 6.625 1.00 71.22 H new ATOM 0 HD2 ARG A2086 8.123 6.406 5.478 1.00 53.53 H new ATOM 0 HD3 ARG A2086 9.340 7.361 4.655 1.00 53.53 H new ATOM 0 HE ARG A2086 9.777 5.517 6.942 1.00 65.33 H new ATOM 0 HH11 ARG A2086 11.129 8.115 4.897 1.00 32.14 H new ATOM 0 HH12 ARG A2086 12.802 7.733 5.316 1.00 32.14 H new ATOM 0 HH21 ARG A2086 11.908 5.042 7.464 1.00 52.40 H new ATOM 0 HH22 ARG A2086 13.240 5.979 6.781 1.00 52.40 H new ATOM 1205 N LYS A2087 8.734 11.867 3.705 1.00 60.42 N ATOM 1206 CA LYS A2087 9.212 13.128 3.160 1.00 62.42 C ATOM 1207 C LYS A2087 8.062 14.138 3.142 1.00 53.23 C ATOM 1208 O LYS A2087 8.280 15.333 3.334 1.00 72.03 O ATOM 1209 CB LYS A2087 9.860 12.909 1.792 1.00 63.34 C ATOM 1210 CG LYS A2087 10.109 14.242 1.084 1.00 72.04 C ATOM 1211 CD LYS A2087 9.100 14.462 -0.044 1.00 14.01 C ATOM 1212 CE LYS A2087 9.808 14.819 -1.351 1.00 64.12 C ATOM 1213 NZ LYS A2087 9.836 16.287 -1.542 1.00 71.21 N ATOM 0 H LYS A2087 8.782 11.078 3.061 1.00 60.42 H new ATOM 0 HA LYS A2087 9.994 13.546 3.794 1.00 62.42 H new ATOM 0 HB2 LYS A2087 10.803 12.376 1.913 1.00 63.34 H new ATOM 0 HB3 LYS A2087 9.216 12.281 1.177 1.00 63.34 H new ATOM 0 HG2 LYS A2087 10.039 15.058 1.803 1.00 72.04 H new ATOM 0 HG3 LYS A2087 11.121 14.259 0.680 1.00 72.04 H new ATOM 0 HD2 LYS A2087 8.503 13.561 -0.184 1.00 14.01 H new ATOM 0 HD3 LYS A2087 8.411 15.261 0.230 1.00 14.01 H new ATOM 0 HE2 LYS A2087 10.826 14.429 -1.338 1.00 64.12 H new ATOM 0 HE3 LYS A2087 9.296 14.347 -2.189 1.00 64.12 H new ATOM 0 HZ1 LYS A2087 10.320 16.512 -2.434 1.00 71.21 H new ATOM 0 HZ2 LYS A2087 8.862 16.651 -1.575 1.00 71.21 H new ATOM 0 HZ3 LYS A2087 10.345 16.730 -0.751 1.00 71.21 H new ATOM 1226 N TYR A2088 6.865 13.621 2.910 1.00 63.51 N ATOM 1227 CA TYR A2088 5.680 14.463 2.865 1.00 3.21 C ATOM 1228 C TYR A2088 5.305 14.955 4.263 1.00 54.23 C ATOM 1229 O TYR A2088 5.042 16.141 4.457 1.00 14.15 O ATOM 1230 CB TYR A2088 4.555 13.577 2.329 1.00 23.43 C ATOM 1231 CG TYR A2088 3.151 14.068 2.692 1.00 43.12 C ATOM 1232 CD1 TYR A2088 2.495 14.954 1.862 1.00 34.31 C ATOM 1233 CD2 TYR A2088 2.544 13.624 3.849 1.00 51.35 C ATOM 1234 CE1 TYR A2088 1.173 15.416 2.205 1.00 2.51 C ATOM 1235 CE2 TYR A2088 1.223 14.086 4.191 1.00 45.15 C ATOM 1236 CZ TYR A2088 0.603 14.958 3.352 1.00 40.44 C ATOM 1237 OH TYR A2088 -0.643 15.395 3.675 1.00 32.44 O ATOM 0 H TYR A2088 6.689 12.629 2.751 1.00 63.51 H new ATOM 0 HA TYR A2088 5.854 15.340 2.241 1.00 3.21 H new ATOM 0 HB2 TYR A2088 4.639 13.517 1.244 1.00 23.43 H new ATOM 0 HB3 TYR A2088 4.687 12.566 2.715 1.00 23.43 H new ATOM 0 HD1 TYR A2088 2.971 15.301 0.957 1.00 34.31 H new ATOM 0 HD2 TYR A2088 3.059 12.931 4.498 1.00 51.35 H new ATOM 0 HE1 TYR A2088 0.647 16.110 1.566 1.00 2.51 H new ATOM 0 HE2 TYR A2088 0.736 13.747 5.094 1.00 45.15 H new ATOM 0 HH TYR A2088 -1.143 15.593 2.856 1.00 32.44 H new ATOM 1247 N MET A2089 5.291 14.021 5.202 1.00 2.32 N ATOM 1248 CA MET A2089 4.952 14.344 6.577 1.00 53.43 C ATOM 1249 C MET A2089 5.956 15.336 7.171 1.00 4.10 C ATOM 1250 O MET A2089 5.609 16.125 8.048 1.00 34.13 O ATOM 1251 CB MET A2089 4.941 13.066 7.416 1.00 75.23 C ATOM 1252 CG MET A2089 3.718 12.206 7.088 1.00 64.41 C ATOM 1253 SD MET A2089 3.030 11.525 8.586 1.00 11.24 S ATOM 1254 CE MET A2089 1.295 11.820 8.294 1.00 34.31 C ATOM 0 H MET A2089 5.509 13.038 5.037 1.00 2.32 H new ATOM 0 HA MET A2089 3.964 14.804 6.588 1.00 53.43 H new ATOM 0 HB2 MET A2089 5.851 12.496 7.230 1.00 75.23 H new ATOM 0 HB3 MET A2089 4.937 13.322 8.475 1.00 75.23 H new ATOM 0 HG2 MET A2089 2.968 12.807 6.574 1.00 64.41 H new ATOM 0 HG3 MET A2089 4.001 11.401 6.409 1.00 64.41 H new ATOM 0 HE1 MET A2089 0.710 11.011 8.732 1.00 34.31 H new ATOM 0 HE2 MET A2089 1.005 12.766 8.751 1.00 34.31 H new ATOM 0 HE3 MET A2089 1.109 11.863 7.221 1.00 34.31 H new ATOM 1264 N LYS A2090 7.179 15.262 6.667 1.00 13.31 N ATOM 1265 CA LYS A2090 8.236 16.143 7.137 1.00 22.21 C ATOM 1266 C LYS A2090 8.222 17.432 6.312 1.00 1.43 C ATOM 1267 O LYS A2090 8.190 18.529 6.870 1.00 30.02 O ATOM 1268 CB LYS A2090 9.582 15.418 7.123 1.00 41.31 C ATOM 1269 CG LYS A2090 10.673 16.276 7.767 1.00 55.54 C ATOM 1270 CD LYS A2090 10.145 16.991 9.012 1.00 75.04 C ATOM 1271 CE LYS A2090 11.290 17.386 9.945 1.00 53.34 C ATOM 1272 NZ LYS A2090 11.226 18.830 10.264 1.00 40.13 N ATOM 0 H LYS A2090 7.462 14.606 5.939 1.00 13.31 H new ATOM 0 HA LYS A2090 8.064 16.426 8.175 1.00 22.21 H new ATOM 0 HB2 LYS A2090 9.495 14.472 7.658 1.00 41.31 H new ATOM 0 HB3 LYS A2090 9.860 15.180 6.096 1.00 41.31 H new ATOM 0 HG2 LYS A2090 11.522 15.648 8.037 1.00 55.54 H new ATOM 0 HG3 LYS A2090 11.035 17.010 7.048 1.00 55.54 H new ATOM 0 HD2 LYS A2090 9.589 17.881 8.716 1.00 75.04 H new ATOM 0 HD3 LYS A2090 9.448 16.341 9.541 1.00 75.04 H new ATOM 0 HE2 LYS A2090 11.236 16.802 10.864 1.00 53.34 H new ATOM 0 HE3 LYS A2090 12.246 17.154 9.476 1.00 53.34 H new ATOM 0 HZ1 LYS A2090 12.011 19.080 10.899 1.00 40.13 H new ATOM 0 HZ2 LYS A2090 11.300 19.383 9.386 1.00 40.13 H new ATOM 0 HZ3 LYS A2090 10.322 19.042 10.732 1.00 40.13 H new ATOM 1285 N SER A2091 8.249 17.257 4.999 1.00 54.02 N ATOM 1286 CA SER A2091 8.240 18.394 4.094 1.00 72.04 C ATOM 1287 C SER A2091 6.805 18.879 3.876 1.00 62.21 C ATOM 1288 O SER A2091 6.452 19.985 4.279 1.00 73.23 O ATOM 1289 CB SER A2091 8.888 18.036 2.755 1.00 11.04 C ATOM 1290 OG SER A2091 10.241 17.618 2.912 1.00 4.05 O ATOM 0 H SER A2091 8.277 16.346 4.541 1.00 54.02 H new ATOM 0 HA SER A2091 8.823 19.196 4.547 1.00 72.04 H new ATOM 0 HB2 SER A2091 8.316 17.241 2.276 1.00 11.04 H new ATOM 0 HB3 SER A2091 8.850 18.900 2.091 1.00 11.04 H new ATOM 0 HG SER A2091 10.619 17.397 2.035 1.00 4.05 H new ATOM 1296 N GLY A2092 6.017 18.026 3.239 1.00 45.04 N ATOM 1297 CA GLY A2092 4.628 18.353 2.960 1.00 55.22 C ATOM 1298 C GLY A2092 4.454 18.822 1.514 1.00 12.22 C ATOM 1299 O GLY A2092 4.540 20.016 1.231 1.00 21.13 O ATOM 0 H GLY A2092 6.314 17.108 2.908 1.00 45.04 H new ATOM 0 HA2 GLY A2092 4.002 17.479 3.140 1.00 55.22 H new ATOM 0 HA3 GLY A2092 4.290 19.133 3.642 1.00 55.22 H new ATOM 1303 N ASN A2093 4.210 17.859 0.639 1.00 33.42 N ATOM 1304 CA ASN A2093 4.021 18.158 -0.770 1.00 35.32 C ATOM 1305 C ASN A2093 3.057 17.137 -1.378 1.00 2.14 C ATOM 1306 O ASN A2093 3.197 15.935 -1.155 1.00 2.11 O ATOM 1307 CB ASN A2093 5.344 18.072 -1.532 1.00 44.45 C ATOM 1308 CG ASN A2093 5.686 19.411 -2.189 1.00 64.50 C ATOM 1309 OD1 ASN A2093 5.971 20.400 -1.535 1.00 21.34 O ATOM 1310 ND2 ASN A2093 5.641 19.387 -3.519 1.00 2.44 N ATOM 0 H ASN A2093 4.139 16.870 0.878 1.00 33.42 H new ATOM 0 HA ASN A2093 3.623 19.170 -0.851 1.00 35.32 H new ATOM 0 HB2 ASN A2093 6.143 17.783 -0.849 1.00 44.45 H new ATOM 0 HB3 ASN A2093 5.279 17.295 -2.294 1.00 44.45 H new ATOM 0 HD21 ASN A2093 5.853 20.231 -4.052 1.00 2.44 H new ATOM 0 HD22 ASN A2093 5.395 18.525 -4.005 1.00 2.44 H new ATOM 1317 N VAL A2094 2.101 17.653 -2.137 1.00 25.50 N ATOM 1318 CA VAL A2094 1.114 16.802 -2.780 1.00 32.02 C ATOM 1319 C VAL A2094 1.775 16.047 -3.936 1.00 75.32 C ATOM 1320 O VAL A2094 1.509 14.863 -4.140 1.00 63.23 O ATOM 1321 CB VAL A2094 -0.089 17.637 -3.221 1.00 33.42 C ATOM 1322 CG1 VAL A2094 0.230 18.432 -4.487 1.00 72.53 C ATOM 1323 CG2 VAL A2094 -1.323 16.755 -3.423 1.00 12.44 C ATOM 0 H VAL A2094 1.989 18.650 -2.321 1.00 25.50 H new ATOM 0 HA VAL A2094 0.736 16.058 -2.079 1.00 32.02 H new ATOM 0 HB VAL A2094 -0.312 18.349 -2.427 1.00 33.42 H new ATOM 0 HG11 VAL A2094 -0.642 19.017 -4.779 1.00 72.53 H new ATOM 0 HG12 VAL A2094 1.068 19.102 -4.295 1.00 72.53 H new ATOM 0 HG13 VAL A2094 0.492 17.745 -5.292 1.00 72.53 H new ATOM 0 HG21 VAL A2094 -2.165 17.373 -3.736 1.00 12.44 H new ATOM 0 HG22 VAL A2094 -1.115 16.009 -4.190 1.00 12.44 H new ATOM 0 HG23 VAL A2094 -1.569 16.254 -2.487 1.00 12.44 H new ATOM 1333 N LYS A2095 2.621 16.764 -4.661 1.00 65.33 N ATOM 1334 CA LYS A2095 3.321 16.176 -5.791 1.00 61.04 C ATOM 1335 C LYS A2095 4.067 14.924 -5.328 1.00 63.21 C ATOM 1336 O LYS A2095 3.951 13.864 -5.945 1.00 51.25 O ATOM 1337 CB LYS A2095 4.220 17.217 -6.464 1.00 13.42 C ATOM 1338 CG LYS A2095 4.539 16.814 -7.905 1.00 74.54 C ATOM 1339 CD LYS A2095 5.952 17.257 -8.298 1.00 32.50 C ATOM 1340 CE LYS A2095 6.724 16.106 -8.945 1.00 12.40 C ATOM 1341 NZ LYS A2095 6.851 16.325 -10.403 1.00 5.51 N ATOM 0 H LYS A2095 2.838 17.746 -4.488 1.00 65.33 H new ATOM 0 HA LYS A2095 2.612 15.859 -6.556 1.00 61.04 H new ATOM 0 HB2 LYS A2095 3.727 18.189 -6.455 1.00 13.42 H new ATOM 0 HB3 LYS A2095 5.146 17.324 -5.899 1.00 13.42 H new ATOM 0 HG2 LYS A2095 4.450 15.733 -8.013 1.00 74.54 H new ATOM 0 HG3 LYS A2095 3.812 17.263 -8.582 1.00 74.54 H new ATOM 0 HD2 LYS A2095 5.895 18.097 -8.991 1.00 32.50 H new ATOM 0 HD3 LYS A2095 6.486 17.608 -7.415 1.00 32.50 H new ATOM 0 HE2 LYS A2095 7.714 16.025 -8.495 1.00 12.40 H new ATOM 0 HE3 LYS A2095 6.210 15.163 -8.756 1.00 12.40 H new ATOM 0 HZ1 LYS A2095 7.377 15.535 -10.828 1.00 5.51 H new ATOM 0 HZ2 LYS A2095 5.904 16.379 -10.830 1.00 5.51 H new ATOM 0 HZ3 LYS A2095 7.361 17.215 -10.577 1.00 5.51 H new ATOM 1354 N ASP A2096 4.817 15.086 -4.248 1.00 42.25 N ATOM 1355 CA ASP A2096 5.581 13.980 -3.696 1.00 45.23 C ATOM 1356 C ASP A2096 4.621 12.908 -3.178 1.00 64.32 C ATOM 1357 O ASP A2096 4.813 11.722 -3.435 1.00 22.14 O ATOM 1358 CB ASP A2096 6.450 14.443 -2.524 1.00 72.34 C ATOM 1359 CG ASP A2096 5.810 14.284 -1.144 1.00 43.20 C ATOM 1360 OD1 ASP A2096 5.661 13.163 -0.634 1.00 12.41 O ATOM 1361 OD2 ASP A2096 5.452 15.389 -0.579 1.00 24.55 O ATOM 0 H ASP A2096 4.912 15.966 -3.741 1.00 42.25 H new ATOM 0 HA ASP A2096 6.220 13.585 -4.486 1.00 45.23 H new ATOM 0 HB2 ASP A2096 7.385 13.883 -2.541 1.00 72.34 H new ATOM 0 HB3 ASP A2096 6.704 15.493 -2.672 1.00 72.34 H new ATOM 1367 N LEU A2097 3.607 13.365 -2.459 1.00 34.11 N ATOM 1368 CA LEU A2097 2.615 12.461 -1.904 1.00 10.02 C ATOM 1369 C LEU A2097 1.956 11.675 -3.039 1.00 35.14 C ATOM 1370 O LEU A2097 1.662 10.490 -2.887 1.00 61.44 O ATOM 1371 CB LEU A2097 1.623 13.226 -1.026 1.00 73.25 C ATOM 1372 CG LEU A2097 0.396 12.441 -0.560 1.00 70.21 C ATOM 1373 CD1 LEU A2097 0.802 11.093 0.035 1.00 31.01 C ATOM 1374 CD2 LEU A2097 -0.446 13.267 0.415 1.00 72.42 C ATOM 0 H LEU A2097 3.451 14.351 -2.248 1.00 34.11 H new ATOM 0 HA LEU A2097 3.089 11.733 -1.246 1.00 10.02 H new ATOM 0 HB2 LEU A2097 2.153 13.590 -0.146 1.00 73.25 H new ATOM 0 HB3 LEU A2097 1.281 14.102 -1.577 1.00 73.25 H new ATOM 0 HG LEU A2097 -0.228 12.235 -1.430 1.00 70.21 H new ATOM 0 HD11 LEU A2097 -0.089 10.555 0.359 1.00 31.01 H new ATOM 0 HD12 LEU A2097 1.327 10.506 -0.719 1.00 31.01 H new ATOM 0 HD13 LEU A2097 1.458 11.256 0.890 1.00 31.01 H new ATOM 0 HD21 LEU A2097 -1.312 12.685 0.731 1.00 72.42 H new ATOM 0 HD22 LEU A2097 0.155 13.525 1.287 1.00 72.42 H new ATOM 0 HD23 LEU A2097 -0.782 14.180 -0.077 1.00 72.42 H new ATOM 1386 N THR A2098 1.740 12.367 -4.147 1.00 21.42 N ATOM 1387 CA THR A2098 1.121 11.749 -5.307 1.00 34.45 C ATOM 1388 C THR A2098 1.989 10.601 -5.828 1.00 31.13 C ATOM 1389 O THR A2098 1.498 9.493 -6.040 1.00 73.43 O ATOM 1390 CB THR A2098 0.870 12.841 -6.348 1.00 0.33 C ATOM 1391 OG1 THR A2098 -0.200 13.605 -5.798 1.00 15.40 O ATOM 1392 CG2 THR A2098 0.298 12.286 -7.653 1.00 50.11 C ATOM 0 H THR A2098 1.983 13.350 -4.266 1.00 21.42 H new ATOM 0 HA THR A2098 0.162 11.299 -5.050 1.00 34.45 H new ATOM 0 HB THR A2098 1.803 13.366 -6.555 1.00 0.33 H new ATOM 0 HG1 THR A2098 0.148 14.205 -5.106 1.00 15.40 H new ATOM 0 HG21 THR A2098 0.139 13.103 -8.357 1.00 50.11 H new ATOM 0 HG22 THR A2098 0.998 11.569 -8.081 1.00 50.11 H new ATOM 0 HG23 THR A2098 -0.652 11.790 -7.452 1.00 50.11 H new ATOM 1400 N GLN A2099 3.264 10.906 -6.019 1.00 70.43 N ATOM 1401 CA GLN A2099 4.204 9.914 -6.511 1.00 72.40 C ATOM 1402 C GLN A2099 4.171 8.666 -5.626 1.00 32.32 C ATOM 1403 O GLN A2099 4.090 7.547 -6.129 1.00 14.25 O ATOM 1404 CB GLN A2099 5.619 10.493 -6.590 1.00 0.14 C ATOM 1405 CG GLN A2099 6.157 10.429 -8.021 1.00 73.44 C ATOM 1406 CD GLN A2099 7.595 9.906 -8.043 1.00 62.20 C ATOM 1407 OE1 GLN A2099 8.536 10.586 -7.671 1.00 50.42 O ATOM 1408 NE2 GLN A2099 7.710 8.661 -8.499 1.00 32.22 N ATOM 0 H GLN A2099 3.668 11.826 -5.842 1.00 70.43 H new ATOM 0 HA GLN A2099 3.906 9.628 -7.520 1.00 72.40 H new ATOM 0 HB2 GLN A2099 5.613 11.527 -6.246 1.00 0.14 H new ATOM 0 HB3 GLN A2099 6.280 9.939 -5.924 1.00 0.14 H new ATOM 0 HG2 GLN A2099 5.521 9.781 -8.624 1.00 73.44 H new ATOM 0 HG3 GLN A2099 6.120 11.421 -8.472 1.00 73.44 H new ATOM 0 HE21 GLN A2099 6.880 8.147 -8.795 1.00 32.22 H new ATOM 0 HE22 GLN A2099 8.628 8.220 -8.553 1.00 32.22 H new ATOM 1417 N ALA A2100 4.234 8.901 -4.324 1.00 54.40 N ATOM 1418 CA ALA A2100 4.212 7.810 -3.365 1.00 10.54 C ATOM 1419 C ALA A2100 2.956 6.967 -3.585 1.00 35.22 C ATOM 1420 O ALA A2100 3.030 5.742 -3.656 1.00 61.13 O ATOM 1421 CB ALA A2100 4.293 8.376 -1.944 1.00 70.22 C ATOM 0 H ALA A2100 4.300 9.831 -3.911 1.00 54.40 H new ATOM 0 HA ALA A2100 5.075 7.159 -3.507 1.00 10.54 H new ATOM 0 HB1 ALA A2100 4.276 7.557 -1.225 1.00 70.22 H new ATOM 0 HB2 ALA A2100 5.218 8.941 -1.830 1.00 70.22 H new ATOM 0 HB3 ALA A2100 3.442 9.033 -1.765 1.00 70.22 H new ATOM 1427 N TRP A2101 1.830 7.659 -3.689 1.00 62.33 N ATOM 1428 CA TRP A2101 0.557 6.989 -3.900 1.00 31.02 C ATOM 1429 C TRP A2101 0.684 6.118 -5.153 1.00 71.43 C ATOM 1430 O TRP A2101 0.137 5.019 -5.207 1.00 23.44 O ATOM 1431 CB TRP A2101 -0.588 8.001 -3.989 1.00 24.13 C ATOM 1432 CG TRP A2101 -1.563 7.940 -2.812 1.00 44.11 C ATOM 1433 CD1 TRP A2101 -1.648 8.772 -1.766 1.00 3.51 C ATOM 1434 CD2 TRP A2101 -2.599 6.955 -2.604 1.00 51.25 C ATOM 1435 NE1 TRP A2101 -2.656 8.398 -0.902 1.00 61.42 N ATOM 1436 CE2 TRP A2101 -3.253 7.259 -1.428 1.00 1.11 C ATOM 1437 CE3 TRP A2101 -2.970 5.846 -3.384 1.00 5.10 C ATOM 1438 CZ2 TRP A2101 -4.317 6.501 -0.925 1.00 63.32 C ATOM 1439 CZ3 TRP A2101 -4.035 5.098 -2.868 1.00 44.12 C ATOM 1440 CH2 TRP A2101 -4.704 5.390 -1.686 1.00 74.24 C ATOM 0 H TRP A2101 1.773 8.676 -3.631 1.00 62.33 H new ATOM 0 HA TRP A2101 0.313 6.348 -3.053 1.00 31.02 H new ATOM 0 HB2 TRP A2101 -0.168 9.005 -4.049 1.00 24.13 H new ATOM 0 HB3 TRP A2101 -1.139 7.831 -4.914 1.00 24.13 H new ATOM 0 HD1 TRP A2101 -1.007 9.629 -1.618 1.00 3.51 H new ATOM 0 HE1 TRP A2101 -2.915 8.871 -0.036 1.00 61.42 H new ATOM 0 HE3 TRP A2101 -2.473 5.591 -4.308 1.00 5.10 H new ATOM 0 HZ2 TRP A2101 -4.813 6.759 -0.001 1.00 63.32 H new ATOM 0 HZ3 TRP A2101 -4.359 4.233 -3.428 1.00 44.12 H new ATOM 0 HH2 TRP A2101 -5.519 4.763 -1.355 1.00 74.24 H new ATOM 1451 N ASP A2102 1.409 6.644 -6.129 1.00 75.35 N ATOM 1452 CA ASP A2102 1.614 5.930 -7.378 1.00 14.54 C ATOM 1453 C ASP A2102 2.296 4.591 -7.089 1.00 35.34 C ATOM 1454 O ASP A2102 1.862 3.551 -7.581 1.00 20.34 O ATOM 1455 CB ASP A2102 2.516 6.723 -8.325 1.00 50.04 C ATOM 1456 CG ASP A2102 2.306 6.433 -9.813 1.00 54.12 C ATOM 1457 OD1 ASP A2102 1.287 6.823 -10.402 1.00 72.02 O ATOM 1458 OD2 ASP A2102 3.256 5.769 -10.377 1.00 52.13 O ATOM 0 H ASP A2102 1.862 7.557 -6.080 1.00 75.35 H new ATOM 0 HA ASP A2102 0.640 5.783 -7.845 1.00 14.54 H new ATOM 0 HB2 ASP A2102 2.354 7.787 -8.151 1.00 50.04 H new ATOM 0 HB3 ASP A2102 3.556 6.514 -8.073 1.00 50.04 H new ATOM 1464 N LEU A2103 3.350 4.661 -6.290 1.00 50.41 N ATOM 1465 CA LEU A2103 4.096 3.468 -5.928 1.00 21.24 C ATOM 1466 C LEU A2103 3.137 2.435 -5.329 1.00 42.15 C ATOM 1467 O LEU A2103 3.081 1.296 -5.790 1.00 2.32 O ATOM 1468 CB LEU A2103 5.266 3.824 -5.008 1.00 64.23 C ATOM 1469 CG LEU A2103 6.575 4.201 -5.707 1.00 32.34 C ATOM 1470 CD1 LEU A2103 6.587 5.682 -6.085 1.00 4.41 C ATOM 1471 CD2 LEU A2103 7.783 3.817 -4.850 1.00 12.33 C ATOM 0 H LEU A2103 3.705 5.526 -5.883 1.00 50.41 H new ATOM 0 HA LEU A2103 4.543 3.016 -6.813 1.00 21.24 H new ATOM 0 HB2 LEU A2103 4.963 4.656 -4.372 1.00 64.23 H new ATOM 0 HB3 LEU A2103 5.458 2.975 -4.352 1.00 64.23 H new ATOM 0 HG LEU A2103 6.644 3.632 -6.634 1.00 32.34 H new ATOM 0 HD11 LEU A2103 7.528 5.924 -6.580 1.00 4.41 H new ATOM 0 HD12 LEU A2103 5.757 5.892 -6.760 1.00 4.41 H new ATOM 0 HD13 LEU A2103 6.485 6.288 -5.185 1.00 4.41 H new ATOM 0 HD21 LEU A2103 8.700 4.095 -5.369 1.00 12.33 H new ATOM 0 HD22 LEU A2103 7.733 4.341 -3.895 1.00 12.33 H new ATOM 0 HD23 LEU A2103 7.777 2.741 -4.675 1.00 12.33 H new ATOM 1483 N TYR A2104 2.407 2.871 -4.314 1.00 52.33 N ATOM 1484 CA TYR A2104 1.455 1.999 -3.647 1.00 12.52 C ATOM 1485 C TYR A2104 0.445 1.427 -4.645 1.00 61.33 C ATOM 1486 O TYR A2104 0.308 0.211 -4.767 1.00 41.13 O ATOM 1487 CB TYR A2104 0.713 2.877 -2.638 1.00 11.45 C ATOM 1488 CG TYR A2104 1.528 3.204 -1.384 1.00 11.15 C ATOM 1489 CD1 TYR A2104 2.144 2.192 -0.678 1.00 74.11 C ATOM 1490 CD2 TYR A2104 1.645 4.512 -0.960 1.00 75.43 C ATOM 1491 CE1 TYR A2104 2.911 2.501 0.502 1.00 31.42 C ATOM 1492 CE2 TYR A2104 2.410 4.821 0.220 1.00 51.31 C ATOM 1493 CZ TYR A2104 3.006 3.800 0.893 1.00 74.23 C ATOM 1494 OH TYR A2104 3.729 4.092 2.007 1.00 1.35 O ATOM 0 H TYR A2104 2.455 3.817 -3.937 1.00 52.33 H new ATOM 0 HA TYR A2104 1.968 1.161 -3.175 1.00 12.52 H new ATOM 0 HB2 TYR A2104 0.424 3.808 -3.125 1.00 11.45 H new ATOM 0 HB3 TYR A2104 -0.207 2.374 -2.341 1.00 11.45 H new ATOM 0 HD1 TYR A2104 2.052 1.168 -1.009 1.00 74.11 H new ATOM 0 HD2 TYR A2104 1.163 5.304 -1.513 1.00 75.43 H new ATOM 0 HE1 TYR A2104 3.400 1.718 1.063 1.00 31.42 H new ATOM 0 HE2 TYR A2104 2.508 5.840 0.563 1.00 51.31 H new ATOM 0 HH TYR A2104 3.710 5.059 2.165 1.00 1.35 H new ATOM 1504 N TYR A2105 -0.235 2.331 -5.333 1.00 64.12 N ATOM 1505 CA TYR A2105 -1.229 1.934 -6.316 1.00 24.44 C ATOM 1506 C TYR A2105 -0.659 0.886 -7.276 1.00 32.43 C ATOM 1507 O TYR A2105 -1.385 0.005 -7.740 1.00 32.23 O ATOM 1508 CB TYR A2105 -1.572 3.197 -7.106 1.00 62.30 C ATOM 1509 CG TYR A2105 -3.028 3.262 -7.573 1.00 50.23 C ATOM 1510 CD1 TYR A2105 -3.664 2.120 -8.013 1.00 2.54 C ATOM 1511 CD2 TYR A2105 -3.704 4.464 -7.557 1.00 52.43 C ATOM 1512 CE1 TYR A2105 -5.034 2.181 -8.452 1.00 40.51 C ATOM 1513 CE2 TYR A2105 -5.075 4.527 -7.998 1.00 12.33 C ATOM 1514 CZ TYR A2105 -5.671 3.382 -8.424 1.00 54.22 C ATOM 1515 OH TYR A2105 -6.964 3.441 -8.839 1.00 23.12 O ATOM 0 H TYR A2105 -0.117 3.339 -5.229 1.00 64.12 H new ATOM 0 HA TYR A2105 -2.100 1.499 -5.826 1.00 24.44 H new ATOM 0 HB2 TYR A2105 -1.360 4.069 -6.487 1.00 62.30 H new ATOM 0 HB3 TYR A2105 -0.919 3.257 -7.976 1.00 62.30 H new ATOM 0 HD1 TYR A2105 -3.134 1.179 -8.028 1.00 2.54 H new ATOM 0 HD2 TYR A2105 -3.206 5.359 -7.214 1.00 52.43 H new ATOM 0 HE1 TYR A2105 -5.544 1.293 -8.796 1.00 40.51 H new ATOM 0 HE2 TYR A2105 -5.616 5.462 -7.990 1.00 12.33 H new ATOM 0 HH TYR A2105 -7.290 4.362 -8.763 1.00 23.12 H new ATOM 1525 N HIS A2106 0.630 1.015 -7.546 1.00 3.32 N ATOM 1526 CA HIS A2106 1.305 0.090 -8.442 1.00 21.45 C ATOM 1527 C HIS A2106 1.276 -1.317 -7.843 1.00 42.12 C ATOM 1528 O HIS A2106 0.815 -2.260 -8.483 1.00 52.13 O ATOM 1529 CB HIS A2106 2.722 0.573 -8.756 1.00 54.11 C ATOM 1530 CG HIS A2106 3.314 -0.032 -10.005 1.00 62.43 C ATOM 1531 ND1 HIS A2106 4.143 0.674 -10.860 1.00 0.10 N ATOM 1532 CD2 HIS A2106 3.190 -1.283 -10.536 1.00 14.23 C ATOM 1533 CE1 HIS A2106 4.495 -0.125 -11.856 1.00 40.32 C ATOM 1534 NE2 HIS A2106 3.903 -1.338 -11.653 1.00 74.23 N ATOM 0 H HIS A2106 1.227 1.747 -7.160 1.00 3.32 H new ATOM 0 HA HIS A2106 0.778 0.052 -9.396 1.00 21.45 H new ATOM 0 HB2 HIS A2106 2.710 1.658 -8.861 1.00 54.11 H new ATOM 0 HB3 HIS A2106 3.370 0.341 -7.910 1.00 54.11 H new ATOM 0 HD2 HIS A2106 2.609 -2.092 -10.117 1.00 14.23 H new ATOM 0 HE1 HIS A2106 5.138 0.137 -12.683 1.00 40.32 H new ATOM 0 HE2 HIS A2106 3.994 -2.152 -12.260 1.00 74.23 H new ATOM 1543 N VAL A2107 1.776 -1.415 -6.619 1.00 3.41 N ATOM 1544 CA VAL A2107 1.814 -2.692 -5.926 1.00 44.40 C ATOM 1545 C VAL A2107 0.384 -3.150 -5.633 1.00 2.45 C ATOM 1546 O VAL A2107 0.051 -4.317 -5.830 1.00 32.42 O ATOM 1547 CB VAL A2107 2.677 -2.578 -4.669 1.00 15.15 C ATOM 1548 CG1 VAL A2107 3.897 -1.687 -4.916 1.00 64.44 C ATOM 1549 CG2 VAL A2107 1.855 -2.064 -3.484 1.00 42.10 C ATOM 0 H VAL A2107 2.158 -0.631 -6.090 1.00 3.41 H new ATOM 0 HA VAL A2107 2.277 -3.455 -6.552 1.00 44.40 H new ATOM 0 HB VAL A2107 3.037 -3.576 -4.421 1.00 15.15 H new ATOM 0 HG11 VAL A2107 4.492 -1.624 -4.005 1.00 64.44 H new ATOM 0 HG12 VAL A2107 4.502 -2.113 -5.716 1.00 64.44 H new ATOM 0 HG13 VAL A2107 3.566 -0.689 -5.203 1.00 64.44 H new ATOM 0 HG21 VAL A2107 2.493 -1.992 -2.603 1.00 42.10 H new ATOM 0 HG22 VAL A2107 1.451 -1.080 -3.721 1.00 42.10 H new ATOM 0 HG23 VAL A2107 1.035 -2.754 -3.283 1.00 42.10 H new ATOM 1559 N PHE A2108 -0.421 -2.208 -5.167 1.00 15.13 N ATOM 1560 CA PHE A2108 -1.807 -2.501 -4.841 1.00 43.32 C ATOM 1561 C PHE A2108 -2.600 -2.855 -6.100 1.00 63.34 C ATOM 1562 O PHE A2108 -3.563 -3.617 -6.036 1.00 1.22 O ATOM 1563 CB PHE A2108 -2.398 -1.234 -4.221 1.00 71.22 C ATOM 1564 CG PHE A2108 -2.163 -1.111 -2.714 1.00 23.00 C ATOM 1565 CD1 PHE A2108 -0.916 -0.846 -2.240 1.00 3.02 C ATOM 1566 CD2 PHE A2108 -3.201 -1.264 -1.848 1.00 25.23 C ATOM 1567 CE1 PHE A2108 -0.698 -0.733 -0.842 1.00 53.43 C ATOM 1568 CE2 PHE A2108 -2.982 -1.151 -0.450 1.00 53.22 C ATOM 1569 CZ PHE A2108 -1.735 -0.887 0.024 1.00 11.20 C ATOM 0 H PHE A2108 -0.141 -1.240 -5.007 1.00 15.13 H new ATOM 0 HA PHE A2108 -1.859 -3.350 -4.159 1.00 43.32 H new ATOM 0 HB2 PHE A2108 -1.968 -0.364 -4.718 1.00 71.22 H new ATOM 0 HB3 PHE A2108 -3.471 -1.214 -4.414 1.00 71.22 H new ATOM 0 HD1 PHE A2108 -0.092 -0.722 -2.927 1.00 3.02 H new ATOM 0 HD2 PHE A2108 -4.192 -1.471 -2.224 1.00 25.23 H new ATOM 0 HE1 PHE A2108 0.293 -0.524 -0.466 1.00 53.43 H new ATOM 0 HE2 PHE A2108 -3.806 -1.275 0.237 1.00 53.22 H new ATOM 0 HZ PHE A2108 -1.568 -0.800 1.087 1.00 11.20 H new ATOM 1579 N ARG A2109 -2.166 -2.286 -7.215 1.00 22.34 N ATOM 1580 CA ARG A2109 -2.823 -2.533 -8.488 1.00 34.51 C ATOM 1581 C ARG A2109 -2.440 -3.913 -9.024 1.00 41.13 C ATOM 1582 O ARG A2109 -3.243 -4.573 -9.683 1.00 35.31 O ATOM 1583 CB ARG A2109 -2.445 -1.469 -9.519 1.00 73.31 C ATOM 1584 CG ARG A2109 -2.921 -1.867 -10.918 1.00 14.14 C ATOM 1585 CD ARG A2109 -3.295 -0.635 -11.743 1.00 14.42 C ATOM 1586 NE ARG A2109 -4.761 -0.572 -11.923 1.00 52.20 N ATOM 1587 CZ ARG A2109 -5.380 0.236 -12.810 1.00 42.12 C ATOM 1588 NH1 ARG A2109 -4.664 1.058 -13.606 1.00 43.15 N ATOM 1589 NH2 ARG A2109 -6.698 0.211 -12.888 1.00 12.11 N ATOM 0 H ARG A2109 -1.367 -1.654 -7.264 1.00 22.34 H new ATOM 0 HA ARG A2109 -3.899 -2.491 -8.319 1.00 34.51 H new ATOM 0 HB2 ARG A2109 -2.887 -0.513 -9.239 1.00 73.31 H new ATOM 0 HB3 ARG A2109 -1.364 -1.331 -9.525 1.00 73.31 H new ATOM 0 HG2 ARG A2109 -2.136 -2.425 -11.428 1.00 14.14 H new ATOM 0 HG3 ARG A2109 -3.782 -2.530 -10.838 1.00 14.14 H new ATOM 0 HD2 ARG A2109 -2.943 0.268 -11.244 1.00 14.42 H new ATOM 0 HD3 ARG A2109 -2.803 -0.675 -12.715 1.00 14.42 H new ATOM 0 HE ARG A2109 -5.341 -1.176 -11.341 1.00 52.20 H new ATOM 0 HH11 ARG A2109 -3.646 1.072 -13.540 1.00 43.15 H new ATOM 0 HH12 ARG A2109 -5.141 1.665 -14.273 1.00 43.15 H new ATOM 0 HH21 ARG A2109 -7.233 -0.412 -12.283 1.00 12.11 H new ATOM 0 HH22 ARG A2109 -7.181 0.815 -13.553 1.00 12.11 H new ATOM 1601 N ARG A2110 -1.212 -4.310 -8.722 1.00 72.43 N ATOM 1602 CA ARG A2110 -0.712 -5.600 -9.167 1.00 51.33 C ATOM 1603 C ARG A2110 -1.431 -6.730 -8.428 1.00 64.30 C ATOM 1604 O ARG A2110 -1.949 -7.654 -9.055 1.00 25.33 O ATOM 1605 CB ARG A2110 0.794 -5.719 -8.927 1.00 0.12 C ATOM 1606 CG ARG A2110 1.461 -6.550 -10.024 1.00 40.11 C ATOM 1607 CD ARG A2110 1.490 -8.033 -9.648 1.00 54.31 C ATOM 1608 NE ARG A2110 1.339 -8.866 -10.862 1.00 33.22 N ATOM 1609 CZ ARG A2110 2.322 -9.076 -11.764 1.00 24.51 C ATOM 1610 NH1 ARG A2110 3.537 -8.516 -11.595 1.00 1.03 N ATOM 1611 NH2 ARG A2110 2.075 -9.840 -12.812 1.00 52.43 N ATOM 0 H ARG A2110 -0.549 -3.761 -8.175 1.00 72.43 H new ATOM 0 HA ARG A2110 -0.905 -5.680 -10.237 1.00 51.33 H new ATOM 0 HB2 ARG A2110 1.240 -4.725 -8.897 1.00 0.12 H new ATOM 0 HB3 ARG A2110 0.976 -6.180 -7.956 1.00 0.12 H new ATOM 0 HG2 ARG A2110 0.922 -6.420 -10.962 1.00 40.11 H new ATOM 0 HG3 ARG A2110 2.478 -6.193 -10.188 1.00 40.11 H new ATOM 0 HD2 ARG A2110 2.429 -8.272 -9.148 1.00 54.31 H new ATOM 0 HD3 ARG A2110 0.688 -8.254 -8.943 1.00 54.31 H new ATOM 0 HE ARG A2110 0.436 -9.309 -11.028 1.00 33.22 H new ATOM 0 HH11 ARG A2110 3.719 -7.929 -10.781 1.00 1.03 H new ATOM 0 HH12 ARG A2110 4.274 -8.680 -12.281 1.00 1.03 H new ATOM 0 HH21 ARG A2110 1.153 -10.261 -12.930 1.00 52.43 H new ATOM 0 HH22 ARG A2110 2.806 -10.009 -13.503 1.00 52.43 H new ATOM 1623 N ILE A2111 -1.440 -6.620 -7.109 1.00 22.03 N ATOM 1624 CA ILE A2111 -2.087 -7.623 -6.279 1.00 32.31 C ATOM 1625 C ILE A2111 -3.435 -7.996 -6.897 1.00 13.20 C ATOM 1626 O ILE A2111 -3.827 -9.163 -6.883 1.00 50.23 O ATOM 1627 CB ILE A2111 -2.186 -7.136 -4.832 1.00 41.30 C ATOM 1628 CG1 ILE A2111 -2.730 -5.708 -4.770 1.00 33.22 C ATOM 1629 CG2 ILE A2111 -0.841 -7.268 -4.114 1.00 64.33 C ATOM 1630 CD1 ILE A2111 -2.878 -5.240 -3.319 1.00 51.12 C ATOM 0 H ILE A2111 -1.010 -5.852 -6.593 1.00 22.03 H new ATOM 0 HA ILE A2111 -1.490 -8.534 -6.244 1.00 32.31 H new ATOM 0 HB ILE A2111 -2.895 -7.775 -4.306 1.00 41.30 H new ATOM 0 HG12 ILE A2111 -2.060 -5.036 -5.306 1.00 33.22 H new ATOM 0 HG13 ILE A2111 -3.697 -5.661 -5.271 1.00 33.22 H new ATOM 0 HG21 ILE A2111 -0.940 -6.915 -3.088 1.00 64.33 H new ATOM 0 HG22 ILE A2111 -0.532 -8.313 -4.110 1.00 64.33 H new ATOM 0 HG23 ILE A2111 -0.092 -6.670 -4.633 1.00 64.33 H new ATOM 0 HD11 ILE A2111 -3.266 -4.222 -3.303 1.00 51.12 H new ATOM 0 HD12 ILE A2111 -3.568 -5.900 -2.792 1.00 51.12 H new ATOM 0 HD13 ILE A2111 -1.905 -5.265 -2.828 1.00 51.12 H new ATOM 1642 N SER A2112 -4.111 -6.983 -7.420 1.00 70.31 N ATOM 1643 CA SER A2112 -5.408 -7.191 -8.042 1.00 24.21 C ATOM 1644 C SER A2112 -5.229 -7.718 -9.466 1.00 21.20 C ATOM 1645 O SER A2112 -5.780 -8.759 -9.821 1.00 40.03 O ATOM 1646 CB SER A2112 -6.226 -5.898 -8.053 1.00 60.33 C ATOM 1647 OG SER A2112 -7.481 -6.065 -8.709 1.00 1.32 O ATOM 0 H SER A2112 -3.785 -6.016 -7.426 1.00 70.31 H new ATOM 0 HA SER A2112 -5.954 -7.930 -7.455 1.00 24.21 H new ATOM 0 HB2 SER A2112 -6.394 -5.567 -7.028 1.00 60.33 H new ATOM 0 HB3 SER A2112 -5.657 -5.114 -8.553 1.00 60.33 H new ATOM 0 HG SER A2112 -7.974 -5.218 -8.693 1.00 1.32 H new ATOM 1653 N LYS A2113 -4.454 -6.977 -10.245 1.00 51.25 N ATOM 1654 CA LYS A2113 -4.196 -7.356 -11.622 1.00 1.11 C ATOM 1655 C LYS A2113 -4.003 -8.872 -11.702 1.00 2.34 C ATOM 1656 O LYS A2113 -3.503 -9.488 -10.762 1.00 53.12 O ATOM 1657 CB LYS A2113 -3.019 -6.558 -12.187 1.00 75.13 C ATOM 1658 CG LYS A2113 -3.486 -5.587 -13.273 1.00 72.34 C ATOM 1659 CD LYS A2113 -3.549 -6.280 -14.636 1.00 60.30 C ATOM 1660 CE LYS A2113 -2.664 -5.562 -15.658 1.00 73.23 C ATOM 1661 NZ LYS A2113 -2.027 -6.538 -16.570 1.00 35.41 N ATOM 0 H LYS A2113 -3.996 -6.115 -9.947 1.00 51.25 H new ATOM 0 HA LYS A2113 -5.051 -7.108 -12.251 1.00 1.11 H new ATOM 0 HB2 LYS A2113 -2.532 -6.004 -11.384 1.00 75.13 H new ATOM 0 HB3 LYS A2113 -2.277 -7.241 -12.600 1.00 75.13 H new ATOM 0 HG2 LYS A2113 -4.469 -5.193 -13.015 1.00 72.34 H new ATOM 0 HG3 LYS A2113 -2.805 -4.737 -13.324 1.00 72.34 H new ATOM 0 HD2 LYS A2113 -3.228 -7.317 -14.536 1.00 60.30 H new ATOM 0 HD3 LYS A2113 -4.579 -6.299 -14.991 1.00 60.30 H new ATOM 0 HE2 LYS A2113 -3.262 -4.855 -16.233 1.00 73.23 H new ATOM 0 HE3 LYS A2113 -1.897 -4.984 -15.142 1.00 73.23 H new ATOM 0 HZ1 LYS A2113 -1.430 -6.034 -17.256 1.00 35.41 H new ATOM 0 HZ2 LYS A2113 -1.440 -7.196 -16.019 1.00 35.41 H new ATOM 0 HZ3 LYS A2113 -2.762 -7.071 -17.076 1.00 35.41 H new ATOM 1674 N GLN A2114 -4.409 -9.431 -12.833 1.00 32.12 N ATOM 1675 CA GLN A2114 -4.287 -10.863 -13.047 1.00 15.52 C ATOM 1676 C GLN A2114 -3.131 -11.160 -14.004 1.00 14.45 C ATOM 1677 O GLN A2114 -2.887 -12.315 -14.346 1.00 74.04 O ATOM 1678 CB GLN A2114 -5.599 -11.451 -13.570 1.00 71.44 C ATOM 1679 CG GLN A2114 -6.039 -12.648 -12.724 1.00 42.22 C ATOM 1680 CD GLN A2114 -6.075 -13.928 -13.560 1.00 55.30 C ATOM 1681 OE1 GLN A2114 -6.668 -13.990 -14.624 1.00 71.44 O ATOM 1682 NE2 GLN A2114 -5.406 -14.945 -13.022 1.00 43.22 N ATOM 0 H GLN A2114 -4.823 -8.918 -13.611 1.00 32.12 H new ATOM 0 HA GLN A2114 -4.070 -11.338 -12.090 1.00 15.52 H new ATOM 0 HB2 GLN A2114 -6.376 -10.686 -13.556 1.00 71.44 H new ATOM 0 HB3 GLN A2114 -5.475 -11.760 -14.608 1.00 71.44 H new ATOM 0 HG2 GLN A2114 -5.354 -12.776 -11.886 1.00 42.22 H new ATOM 0 HG3 GLN A2114 -7.026 -12.457 -12.303 1.00 42.22 H new ATOM 0 HE21 GLN A2114 -4.931 -14.826 -12.127 1.00 43.22 H new ATOM 0 HE22 GLN A2114 -5.369 -15.843 -13.504 1.00 43.22 H new TER 1691 GLN A2114