USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2026 MET CE :methyl -106:sc= -6.11! (180deg=-8.06!) USER MOD Set 1.2: A2057 MET CE :methyl 179:sc= -3.39! (180deg=-0.339) USER MOD Set 1.3: A2058 MET CE :methyl 148:sc= -19! (180deg=-17.6!) USER MOD Set 2.1: A2014 MET CE :methyl 148:sc= -0.14 (180deg=-0.697) USER MOD Set 2.2: A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2024 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.57) USER MOD Single : A2028 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-4.7!) USER MOD Single : A2035 SER OG : rot 93:sc= 1.16 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.4!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -134:sc= -5.52 (180deg=-13.4!) USER MOD Single : A2055 HIS : no HD1:sc= -3.59! K(o=-3.6!,f=-1.4) USER MOD Single : A2063 GLN : amide:sc= -0.658 K(o=-0.66,f=-2.5!) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 90:sc= 1.14 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= 0.344 K(o=0.34,f=-2.1!) USER MOD Single : A2072 GLN : amide:sc=-0.00659 X(o=-0.0066,f=0) USER MOD Single : A2074 TYR OH : rot 165:sc= -1.52 USER MOD Single : A2079 MET CE :methyl -158:sc= -0.64 (180deg=-2.43!) USER MOD Single : A2082 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.51) USER MOD Single : A2085 CYS SG : rot 110:sc= -1.87! USER MOD Single : A2087 LYS NZ :NH3+ -156:sc= 0.427 (180deg=-0.185) USER MOD Single : A2088 TYR OH : rot 180:sc= -0.717 USER MOD Single : A2089 MET CE :methyl -116:sc= -3.09 (180deg=-8.18!) 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= -0.168 X(o=-0.17,f=0) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 66:sc= 0.0839 USER MOD Single : A2099 GLN : amide:sc= -0.0679 X(o=-0.068,f=-0.38) USER MOD Single : A2104 TYR OH : rot 180:sc=-0.00221 USER MOD Single : A2106 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.3) USER MOD Single : A2112 SER OG : rot -23:sc= 0.0121 USER MOD Single : A2113 LYS NZ :NH3+ -174:sc= -7.65! (180deg=-7.91!) USER MOD Single : A2114 GLN : amide:sc= -1.64! C(o=-1.6!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -8.759 -3.002 -13.958 1.00 5.31 N ATOM 2 CA MET A2014 -9.052 -3.280 -12.565 1.00 35.32 C ATOM 3 C MET A2014 -10.021 -4.457 -12.431 1.00 43.31 C ATOM 4 O MET A2014 -11.233 -4.284 -12.562 1.00 20.34 O ATOM 5 CB MET A2014 -9.662 -2.040 -11.912 1.00 11.43 C ATOM 6 CG MET A2014 -9.070 -1.803 -10.521 1.00 12.40 C ATOM 7 SD MET A2014 -7.858 -0.493 -10.588 1.00 72.11 S ATOM 8 CE MET A2014 -8.928 0.902 -10.897 1.00 62.03 C ATOM 0 HA MET A2014 -8.120 -3.543 -12.065 1.00 35.32 H new ATOM 0 HB2 MET A2014 -9.482 -1.168 -12.541 1.00 11.43 H new ATOM 0 HB3 MET A2014 -10.743 -2.160 -11.835 1.00 11.43 H new ATOM 0 HG2 MET A2014 -9.862 -1.541 -9.819 1.00 12.40 H new ATOM 0 HG3 MET A2014 -8.608 -2.719 -10.153 1.00 12.40 H new ATOM 0 HE1 MET A2014 -8.508 1.793 -10.430 1.00 62.03 H new ATOM 0 HE2 MET A2014 -9.016 1.062 -11.972 1.00 62.03 H new ATOM 0 HE3 MET A2014 -9.914 0.704 -10.478 1.00 62.03 H new ATOM 18 N GLU A2015 -9.453 -5.626 -12.174 1.00 34.31 N ATOM 19 CA GLU A2015 -10.253 -6.830 -12.024 1.00 12.43 C ATOM 20 C GLU A2015 -11.033 -6.787 -10.708 1.00 13.04 C ATOM 21 O GLU A2015 -11.916 -7.610 -10.479 1.00 71.22 O ATOM 22 CB GLU A2015 -9.378 -8.082 -12.103 1.00 72.42 C ATOM 23 CG GLU A2015 -9.670 -8.876 -13.378 1.00 53.44 C ATOM 24 CD GLU A2015 -11.081 -9.463 -13.349 1.00 74.32 C ATOM 25 OE1 GLU A2015 -11.491 -10.038 -12.330 1.00 53.15 O ATOM 26 OE2 GLU A2015 -11.761 -9.304 -14.434 1.00 55.03 O ATOM 0 H GLU A2015 -8.448 -5.765 -12.066 1.00 34.31 H new ATOM 0 HA GLU A2015 -10.968 -6.874 -12.846 1.00 12.43 H new ATOM 0 HB2 GLU A2015 -8.326 -7.797 -12.081 1.00 72.42 H new ATOM 0 HB3 GLU A2015 -9.556 -8.710 -11.230 1.00 72.42 H new ATOM 0 HG2 GLU A2015 -9.560 -8.228 -14.247 1.00 53.44 H new ATOM 0 HG3 GLU A2015 -8.941 -9.679 -13.485 1.00 53.44 H new ATOM 34 N LEU A2016 -10.675 -5.819 -9.876 1.00 75.32 N ATOM 35 CA LEU A2016 -11.330 -5.659 -8.589 1.00 71.33 C ATOM 36 C LEU A2016 -10.972 -6.842 -7.688 1.00 72.14 C ATOM 37 O LEU A2016 -11.855 -7.489 -7.127 1.00 3.32 O ATOM 38 CB LEU A2016 -12.837 -5.462 -8.775 1.00 21.15 C ATOM 39 CG LEU A2016 -13.357 -4.037 -8.577 1.00 60.32 C ATOM 40 CD1 LEU A2016 -12.788 -3.417 -7.299 1.00 5.14 C ATOM 41 CD2 LEU A2016 -13.071 -3.173 -9.809 1.00 41.20 C ATOM 0 H LEU A2016 -9.940 -5.138 -10.068 1.00 75.32 H new ATOM 0 HA LEU A2016 -10.973 -4.758 -8.090 1.00 71.33 H new ATOM 0 HB2 LEU A2016 -13.105 -5.789 -9.780 1.00 21.15 H new ATOM 0 HB3 LEU A2016 -13.358 -6.118 -8.077 1.00 21.15 H new ATOM 0 HG LEU A2016 -14.440 -4.082 -8.458 1.00 60.32 H new ATOM 0 HD11 LEU A2016 -13.174 -2.404 -7.183 1.00 5.14 H new ATOM 0 HD12 LEU A2016 -13.084 -4.019 -6.440 1.00 5.14 H new ATOM 0 HD13 LEU A2016 -11.700 -3.386 -7.363 1.00 5.14 H new ATOM 0 HD21 LEU A2016 -13.451 -2.165 -9.643 1.00 41.20 H new ATOM 0 HD22 LEU A2016 -11.996 -3.132 -9.983 1.00 41.20 H new ATOM 0 HD23 LEU A2016 -13.563 -3.607 -10.680 1.00 41.20 H new ATOM 53 N ILE A2017 -9.674 -7.087 -7.575 1.00 44.02 N ATOM 54 CA ILE A2017 -9.188 -8.181 -6.753 1.00 53.32 C ATOM 55 C ILE A2017 -9.905 -9.472 -7.151 1.00 64.54 C ATOM 56 O ILE A2017 -10.812 -9.450 -7.982 1.00 44.12 O ATOM 57 CB ILE A2017 -9.323 -7.835 -5.268 1.00 64.34 C ATOM 58 CG1 ILE A2017 -8.962 -6.370 -5.011 1.00 10.23 C ATOM 59 CG2 ILE A2017 -8.496 -8.790 -4.404 1.00 52.32 C ATOM 60 CD1 ILE A2017 -10.216 -5.493 -4.986 1.00 34.00 C ATOM 0 H ILE A2017 -8.945 -6.546 -8.039 1.00 44.02 H new ATOM 0 HA ILE A2017 -8.124 -8.342 -6.925 1.00 53.32 H new ATOM 0 HB ILE A2017 -10.367 -7.964 -4.981 1.00 64.34 H new ATOM 0 HG12 ILE A2017 -8.434 -6.283 -4.061 1.00 10.23 H new ATOM 0 HG13 ILE A2017 -8.283 -6.017 -5.787 1.00 10.23 H new ATOM 0 HG21 ILE A2017 -8.610 -8.522 -3.354 1.00 52.32 H new ATOM 0 HG22 ILE A2017 -8.843 -9.812 -4.557 1.00 52.32 H new ATOM 0 HG23 ILE A2017 -7.445 -8.718 -4.685 1.00 52.32 H new ATOM 0 HD11 ILE A2017 -9.932 -4.457 -4.802 1.00 34.00 H new ATOM 0 HD12 ILE A2017 -10.729 -5.564 -5.945 1.00 34.00 H new ATOM 0 HD13 ILE A2017 -10.882 -5.833 -4.193 1.00 34.00 H new ATOM 72 N ARG A2018 -9.472 -10.564 -6.541 1.00 60.50 N ATOM 73 CA ARG A2018 -10.061 -11.864 -6.821 1.00 45.03 C ATOM 74 C ARG A2018 -9.784 -12.832 -5.671 1.00 74.20 C ATOM 75 O ARG A2018 -9.367 -13.967 -5.897 1.00 63.44 O ATOM 76 CB ARG A2018 -9.505 -12.451 -8.119 1.00 64.14 C ATOM 77 CG ARG A2018 -8.023 -12.110 -8.285 1.00 53.15 C ATOM 78 CD ARG A2018 -7.189 -12.730 -7.163 1.00 55.23 C ATOM 79 NE ARG A2018 -7.277 -14.206 -7.223 1.00 40.03 N ATOM 80 CZ ARG A2018 -6.615 -15.038 -6.391 1.00 44.12 C ATOM 81 NH1 ARG A2018 -5.808 -14.544 -5.428 1.00 31.44 N ATOM 82 NH2 ARG A2018 -6.768 -16.341 -6.536 1.00 25.42 N ATOM 0 H ARG A2018 -8.719 -10.577 -5.853 1.00 60.50 H new ATOM 0 HA ARG A2018 -11.137 -11.724 -6.930 1.00 45.03 H new ATOM 0 HB2 ARG A2018 -9.635 -13.533 -8.118 1.00 64.14 H new ATOM 0 HB3 ARG A2018 -10.068 -12.064 -8.968 1.00 64.14 H new ATOM 0 HG2 ARG A2018 -7.668 -12.473 -9.250 1.00 53.15 H new ATOM 0 HG3 ARG A2018 -7.893 -11.028 -8.284 1.00 53.15 H new ATOM 0 HD2 ARG A2018 -6.149 -12.415 -7.255 1.00 55.23 H new ATOM 0 HD3 ARG A2018 -7.545 -12.375 -6.196 1.00 55.23 H new ATOM 0 HE ARG A2018 -7.875 -14.621 -7.938 1.00 40.03 H new ATOM 0 HH11 ARG A2018 -5.695 -13.536 -5.325 1.00 31.44 H new ATOM 0 HH12 ARG A2018 -5.311 -15.179 -4.803 1.00 31.44 H new ATOM 0 HH21 ARG A2018 -7.379 -16.704 -7.268 1.00 25.42 H new ATOM 0 HH22 ARG A2018 -6.276 -16.984 -5.916 1.00 25.42 H new ATOM 94 N VAL A2019 -10.027 -12.349 -4.460 1.00 70.11 N ATOM 95 CA VAL A2019 -9.810 -13.158 -3.275 1.00 2.41 C ATOM 96 C VAL A2019 -10.787 -12.725 -2.180 1.00 1.41 C ATOM 97 O VAL A2019 -11.006 -11.532 -1.975 1.00 22.35 O ATOM 98 CB VAL A2019 -8.345 -13.064 -2.839 1.00 63.13 C ATOM 99 CG1 VAL A2019 -7.789 -11.661 -3.084 1.00 63.24 C ATOM 100 CG2 VAL A2019 -8.182 -13.471 -1.373 1.00 71.31 C ATOM 0 H VAL A2019 -10.372 -11.407 -4.276 1.00 70.11 H new ATOM 0 HA VAL A2019 -10.006 -14.209 -3.489 1.00 2.41 H new ATOM 0 HB VAL A2019 -7.769 -13.763 -3.446 1.00 63.13 H new ATOM 0 HG11 VAL A2019 -6.747 -11.622 -2.766 1.00 63.24 H new ATOM 0 HG12 VAL A2019 -7.853 -11.425 -4.146 1.00 63.24 H new ATOM 0 HG13 VAL A2019 -8.370 -10.935 -2.515 1.00 63.24 H new ATOM 0 HG21 VAL A2019 -7.132 -13.395 -1.089 1.00 71.31 H new ATOM 0 HG22 VAL A2019 -8.777 -12.809 -0.743 1.00 71.31 H new ATOM 0 HG23 VAL A2019 -8.520 -14.499 -1.241 1.00 71.31 H new ATOM 110 N PRO A2020 -11.364 -13.744 -1.488 1.00 2.55 N ATOM 111 CA PRO A2020 -12.312 -13.482 -0.421 1.00 74.02 C ATOM 112 C PRO A2020 -11.598 -12.986 0.839 1.00 30.23 C ATOM 113 O PRO A2020 -11.704 -11.813 1.196 1.00 34.22 O ATOM 114 CB PRO A2020 -13.042 -14.799 -0.208 1.00 50.33 C ATOM 115 CG PRO A2020 -12.163 -15.868 -0.837 1.00 51.45 C ATOM 116 CD PRO A2020 -11.127 -15.170 -1.704 1.00 1.22 C ATOM 0 HA PRO A2020 -13.015 -12.688 -0.671 1.00 74.02 H new ATOM 0 HB2 PRO A2020 -13.195 -14.994 0.853 1.00 50.33 H new ATOM 0 HB3 PRO A2020 -14.027 -14.779 -0.674 1.00 50.33 H new ATOM 0 HG2 PRO A2020 -11.676 -16.464 -0.065 1.00 51.45 H new ATOM 0 HG3 PRO A2020 -12.764 -16.552 -1.436 1.00 51.45 H new ATOM 0 HD2 PRO A2020 -10.114 -15.451 -1.415 1.00 1.22 H new ATOM 0 HD3 PRO A2020 -11.245 -15.437 -2.754 1.00 1.22 H new ATOM 124 N ILE A2021 -10.886 -13.902 1.476 1.00 32.22 N ATOM 125 CA ILE A2021 -10.153 -13.573 2.687 1.00 74.51 C ATOM 126 C ILE A2021 -8.662 -13.827 2.462 1.00 55.30 C ATOM 127 O ILE A2021 -8.254 -14.955 2.200 1.00 31.12 O ATOM 128 CB ILE A2021 -10.732 -14.329 3.886 1.00 35.22 C ATOM 129 CG1 ILE A2021 -10.572 -15.841 3.709 1.00 51.41 C ATOM 130 CG2 ILE A2021 -12.188 -13.934 4.134 1.00 62.44 C ATOM 131 CD1 ILE A2021 -9.600 -16.414 4.744 1.00 40.34 C ATOM 0 H ILE A2021 -10.800 -14.873 1.177 1.00 32.22 H new ATOM 0 HA ILE A2021 -10.264 -12.515 2.923 1.00 74.51 H new ATOM 0 HB ILE A2021 -10.166 -14.045 4.773 1.00 35.22 H new ATOM 0 HG12 ILE A2021 -11.543 -16.327 3.808 1.00 51.41 H new ATOM 0 HG13 ILE A2021 -10.208 -16.057 2.704 1.00 51.41 H new ATOM 0 HG21 ILE A2021 -12.574 -14.486 4.991 1.00 62.44 H new ATOM 0 HG22 ILE A2021 -12.246 -12.864 4.336 1.00 62.44 H new ATOM 0 HG23 ILE A2021 -12.784 -14.170 3.252 1.00 62.44 H new ATOM 0 HD11 ILE A2021 -9.504 -17.490 4.597 1.00 40.34 H new ATOM 0 HD12 ILE A2021 -8.624 -15.943 4.626 1.00 40.34 H new ATOM 0 HD13 ILE A2021 -9.979 -16.218 5.747 1.00 40.34 H new ATOM 143 N LEU A2022 -7.889 -12.756 2.571 1.00 33.21 N ATOM 144 CA LEU A2022 -6.452 -12.847 2.384 1.00 62.51 C ATOM 145 C LEU A2022 -5.833 -11.455 2.528 1.00 24.35 C ATOM 146 O LEU A2022 -6.549 -10.458 2.595 1.00 51.11 O ATOM 147 CB LEU A2022 -6.130 -13.528 1.052 1.00 43.54 C ATOM 148 CG LEU A2022 -5.217 -14.754 1.129 1.00 43.51 C ATOM 149 CD1 LEU A2022 -3.822 -14.369 1.629 1.00 71.14 C ATOM 150 CD2 LEU A2022 -5.847 -15.854 1.983 1.00 72.23 C ATOM 0 H LEU A2022 -8.232 -11.820 2.787 1.00 33.21 H new ATOM 0 HA LEU A2022 -6.006 -13.475 3.155 1.00 62.51 H new ATOM 0 HB2 LEU A2022 -7.068 -13.827 0.583 1.00 43.54 H new ATOM 0 HB3 LEU A2022 -5.665 -12.794 0.394 1.00 43.54 H new ATOM 0 HG LEU A2022 -5.099 -15.155 0.122 1.00 43.51 H new ATOM 0 HD11 LEU A2022 -3.193 -15.258 1.674 1.00 71.14 H new ATOM 0 HD12 LEU A2022 -3.378 -13.645 0.946 1.00 71.14 H new ATOM 0 HD13 LEU A2022 -3.900 -13.929 2.623 1.00 71.14 H new ATOM 0 HD21 LEU A2022 -5.178 -16.713 2.021 1.00 72.23 H new ATOM 0 HD22 LEU A2022 -6.015 -15.480 2.993 1.00 72.23 H new ATOM 0 HD23 LEU A2022 -6.799 -16.155 1.545 1.00 72.23 H new ATOM 162 N TRP A2023 -4.509 -11.433 2.573 1.00 1.21 N ATOM 163 CA TRP A2023 -3.785 -10.180 2.709 1.00 24.14 C ATOM 164 C TRP A2023 -4.351 -9.195 1.686 1.00 74.30 C ATOM 165 O TRP A2023 -4.720 -8.073 2.036 1.00 10.41 O ATOM 166 CB TRP A2023 -2.277 -10.399 2.556 1.00 75.54 C ATOM 167 CG TRP A2023 -1.562 -10.720 3.871 1.00 11.34 C ATOM 168 CD1 TRP A2023 -2.106 -11.067 5.045 1.00 22.15 C ATOM 169 CD2 TRP A2023 -0.136 -10.710 4.095 1.00 34.11 C ATOM 170 NE1 TRP A2023 -1.140 -11.280 6.007 1.00 63.45 N ATOM 171 CE2 TRP A2023 0.096 -11.056 5.412 1.00 2.34 C ATOM 172 CE3 TRP A2023 0.923 -10.418 3.218 1.00 65.42 C ATOM 173 CZ2 TRP A2023 1.379 -11.143 5.966 1.00 24.21 C ATOM 174 CZ3 TRP A2023 2.198 -10.508 3.786 1.00 33.52 C ATOM 175 CH2 TRP A2023 2.448 -10.856 5.111 1.00 4.12 C ATOM 0 H TRP A2023 -3.918 -12.263 2.518 1.00 1.21 H new ATOM 0 HA TRP A2023 -3.920 -9.763 3.707 1.00 24.14 H new ATOM 0 HB2 TRP A2023 -2.107 -11.214 1.853 1.00 75.54 H new ATOM 0 HB3 TRP A2023 -1.832 -9.504 2.120 1.00 75.54 H new ATOM 0 HD1 TRP A2023 -3.167 -11.167 5.217 1.00 22.15 H new ATOM 0 HE1 TRP A2023 -1.303 -11.552 6.977 1.00 63.45 H new ATOM 0 HE3 TRP A2023 0.764 -10.145 2.185 1.00 65.42 H new ATOM 0 HZ2 TRP A2023 1.535 -11.417 6.999 1.00 24.21 H new ATOM 0 HZ3 TRP A2023 3.047 -10.293 3.154 1.00 33.52 H new ATOM 0 HH2 TRP A2023 3.463 -10.904 5.477 1.00 4.12 H new ATOM 186 N HIS A2024 -4.406 -9.645 0.441 1.00 10.44 N ATOM 187 CA HIS A2024 -4.922 -8.817 -0.635 1.00 13.01 C ATOM 188 C HIS A2024 -6.236 -8.169 -0.198 1.00 73.44 C ATOM 189 O HIS A2024 -6.628 -7.130 -0.727 1.00 11.11 O ATOM 190 CB HIS A2024 -5.059 -9.625 -1.927 1.00 34.44 C ATOM 191 CG HIS A2024 -3.959 -10.639 -2.135 1.00 70.31 C ATOM 192 ND1 HIS A2024 -4.147 -11.998 -1.957 1.00 75.14 N ATOM 193 CD2 HIS A2024 -2.658 -10.477 -2.513 1.00 72.24 C ATOM 194 CE1 HIS A2024 -3.005 -12.616 -2.216 1.00 41.10 C ATOM 195 NE2 HIS A2024 -2.083 -11.672 -2.559 1.00 43.12 N ATOM 0 H HIS A2024 -4.101 -10.575 0.153 1.00 10.44 H new ATOM 0 HA HIS A2024 -4.216 -8.015 -0.852 1.00 13.01 H new ATOM 0 HB2 HIS A2024 -6.019 -10.141 -1.921 1.00 34.44 H new ATOM 0 HB3 HIS A2024 -5.072 -8.938 -2.774 1.00 34.44 H new ATOM 0 HD2 HIS A2024 -2.178 -9.536 -2.737 1.00 72.24 H new ATOM 0 HE1 HIS A2024 -2.834 -13.681 -2.165 1.00 41.10 H new ATOM 0 HE2 HIS A2024 -1.111 -11.854 -2.810 1.00 43.12 H new ATOM 204 N GLU A2025 -6.883 -8.809 0.765 1.00 50.31 N ATOM 205 CA GLU A2025 -8.148 -8.310 1.280 1.00 4.55 C ATOM 206 C GLU A2025 -7.920 -7.034 2.096 1.00 63.11 C ATOM 207 O GLU A2025 -8.750 -6.127 2.077 1.00 13.32 O ATOM 208 CB GLU A2025 -8.861 -9.375 2.115 1.00 1.14 C ATOM 209 CG GLU A2025 -10.348 -9.051 2.259 1.00 22.14 C ATOM 210 CD GLU A2025 -10.668 -8.556 3.671 1.00 33.12 C ATOM 211 OE1 GLU A2025 -9.748 -8.214 4.430 1.00 71.41 O ATOM 212 OE2 GLU A2025 -11.922 -8.534 3.971 1.00 51.12 O ATOM 0 H GLU A2025 -6.555 -9.670 1.203 1.00 50.31 H new ATOM 0 HA GLU A2025 -8.793 -8.069 0.435 1.00 4.55 H new ATOM 0 HB2 GLU A2025 -8.741 -10.351 1.645 1.00 1.14 H new ATOM 0 HB3 GLU A2025 -8.401 -9.437 3.101 1.00 1.14 H new ATOM 0 HG2 GLU A2025 -10.630 -8.291 1.531 1.00 22.14 H new ATOM 0 HG3 GLU A2025 -10.940 -9.939 2.038 1.00 22.14 H new ATOM 220 N MET A2026 -6.792 -7.007 2.790 1.00 74.43 N ATOM 221 CA MET A2026 -6.446 -5.858 3.609 1.00 40.32 C ATOM 222 C MET A2026 -5.913 -4.711 2.749 1.00 30.40 C ATOM 223 O MET A2026 -6.072 -3.543 3.098 1.00 14.00 O ATOM 224 CB MET A2026 -5.385 -6.265 4.635 1.00 75.45 C ATOM 225 CG MET A2026 -3.979 -6.142 4.047 1.00 42.51 C ATOM 226 SD MET A2026 -3.305 -4.529 4.406 1.00 14.23 S ATOM 227 CE MET A2026 -1.575 -4.838 4.088 1.00 41.21 C ATOM 0 H MET A2026 -6.106 -7.762 2.802 1.00 74.43 H new ATOM 0 HA MET A2026 -7.346 -5.514 4.120 1.00 40.32 H new ATOM 0 HB2 MET A2026 -5.469 -5.635 5.520 1.00 75.45 H new ATOM 0 HB3 MET A2026 -5.560 -7.292 4.957 1.00 75.45 H new ATOM 0 HG2 MET A2026 -3.333 -6.916 4.463 1.00 42.51 H new ATOM 0 HG3 MET A2026 -4.012 -6.300 2.969 1.00 42.51 H new ATOM 0 HE1 MET A2026 -1.036 -4.895 5.034 1.00 41.21 H new ATOM 0 HE2 MET A2026 -1.466 -5.780 3.551 1.00 41.21 H new ATOM 0 HE3 MET A2026 -1.165 -4.027 3.485 1.00 41.21 H new ATOM 237 N TRP A2027 -5.291 -5.085 1.641 1.00 1.43 N ATOM 238 CA TRP A2027 -4.732 -4.102 0.728 1.00 15.01 C ATOM 239 C TRP A2027 -5.895 -3.364 0.061 1.00 65.11 C ATOM 240 O TRP A2027 -5.914 -2.134 0.025 1.00 53.30 O ATOM 241 CB TRP A2027 -3.786 -4.762 -0.277 1.00 70.55 C ATOM 242 CG TRP A2027 -2.472 -5.252 0.334 1.00 3.43 C ATOM 243 CD1 TRP A2027 -2.273 -6.322 1.114 1.00 13.53 C ATOM 244 CD2 TRP A2027 -1.174 -4.641 0.181 1.00 33.34 C ATOM 245 NE1 TRP A2027 -0.947 -6.447 1.475 1.00 14.30 N ATOM 246 CE2 TRP A2027 -0.256 -5.392 0.890 1.00 44.35 C ATOM 247 CE3 TRP A2027 -0.787 -3.492 -0.531 1.00 22.24 C ATOM 248 CZ2 TRP A2027 1.106 -5.076 0.954 1.00 71.32 C ATOM 249 CZ3 TRP A2027 0.580 -3.191 -0.457 1.00 41.11 C ATOM 250 CH2 TRP A2027 1.514 -3.936 0.252 1.00 0.44 C ATOM 0 H TRP A2027 -5.162 -6.055 1.354 1.00 1.43 H new ATOM 0 HA TRP A2027 -4.122 -3.377 1.267 1.00 15.01 H new ATOM 0 HB2 TRP A2027 -4.296 -5.606 -0.740 1.00 70.55 H new ATOM 0 HB3 TRP A2027 -3.562 -4.050 -1.071 1.00 70.55 H new ATOM 0 HD1 TRP A2027 -3.053 -7.002 1.422 1.00 13.53 H new ATOM 0 HE1 TRP A2027 -0.547 -7.179 2.063 1.00 14.30 H new ATOM 0 HE3 TRP A2027 -1.487 -2.889 -1.090 1.00 22.24 H new ATOM 0 HZ2 TRP A2027 1.804 -5.679 1.515 1.00 71.32 H new ATOM 0 HZ3 TRP A2027 0.932 -2.319 -0.988 1.00 41.11 H new ATOM 0 HH2 TRP A2027 2.552 -3.636 0.261 1.00 0.44 H new ATOM 261 N HIS A2028 -6.834 -4.145 -0.451 1.00 65.21 N ATOM 262 CA HIS A2028 -7.996 -3.580 -1.116 1.00 44.11 C ATOM 263 C HIS A2028 -8.787 -2.723 -0.126 1.00 63.42 C ATOM 264 O HIS A2028 -9.031 -1.543 -0.376 1.00 0.33 O ATOM 265 CB HIS A2028 -8.844 -4.682 -1.756 1.00 25.31 C ATOM 266 CG HIS A2028 -10.292 -4.670 -1.328 1.00 73.33 C ATOM 267 ND1 HIS A2028 -11.096 -3.548 -1.435 1.00 54.12 N ATOM 268 CD2 HIS A2028 -11.071 -5.652 -0.790 1.00 22.05 C ATOM 269 CE1 HIS A2028 -12.303 -3.854 -0.979 1.00 65.32 C ATOM 270 NE2 HIS A2028 -12.284 -5.158 -0.579 1.00 44.22 N ATOM 0 H HIS A2028 -6.814 -5.164 -0.419 1.00 65.21 H new ATOM 0 HA HIS A2028 -7.674 -2.930 -1.930 1.00 44.11 H new ATOM 0 HB2 HIS A2028 -8.795 -4.580 -2.840 1.00 25.31 H new ATOM 0 HB3 HIS A2028 -8.410 -5.651 -1.507 1.00 25.31 H new ATOM 0 HD2 HIS A2028 -10.754 -6.661 -0.573 1.00 22.05 H new ATOM 0 HE1 HIS A2028 -13.152 -3.188 -0.932 1.00 65.32 H new ATOM 0 HE2 HIS A2028 -13.073 -5.669 -0.183 1.00 44.22 H new ATOM 279 N GLU A2029 -9.168 -3.351 0.978 1.00 43.11 N ATOM 280 CA GLU A2029 -9.927 -2.659 2.007 1.00 21.33 C ATOM 281 C GLU A2029 -9.150 -1.440 2.511 1.00 21.40 C ATOM 282 O GLU A2029 -9.723 -0.367 2.693 1.00 33.31 O ATOM 283 CB GLU A2029 -10.274 -3.603 3.159 1.00 60.11 C ATOM 284 CG GLU A2029 -11.425 -4.536 2.777 1.00 42.12 C ATOM 285 CD GLU A2029 -12.696 -4.182 3.551 1.00 72.45 C ATOM 286 OE1 GLU A2029 -12.914 -4.701 4.656 1.00 21.43 O ATOM 287 OE2 GLU A2029 -13.473 -3.334 2.966 1.00 51.01 O ATOM 0 H GLU A2029 -8.966 -4.330 1.182 1.00 43.11 H new ATOM 0 HA GLU A2029 -10.863 -2.313 1.570 1.00 21.33 H new ATOM 0 HB2 GLU A2029 -9.397 -4.192 3.427 1.00 60.11 H new ATOM 0 HB3 GLU A2029 -10.549 -3.022 4.039 1.00 60.11 H new ATOM 0 HG2 GLU A2029 -11.615 -4.465 1.706 1.00 42.12 H new ATOM 0 HG3 GLU A2029 -11.145 -5.569 2.983 1.00 42.12 H new ATOM 295 N GLY A2030 -7.858 -1.648 2.721 1.00 73.45 N ATOM 296 CA GLY A2030 -6.997 -0.579 3.201 1.00 42.00 C ATOM 297 C GLY A2030 -7.155 0.677 2.342 1.00 14.11 C ATOM 298 O GLY A2030 -7.592 1.717 2.833 1.00 74.23 O ATOM 0 H GLY A2030 -7.387 -2.540 2.568 1.00 73.45 H new ATOM 0 HA2 GLY A2030 -7.241 -0.348 4.238 1.00 42.00 H new ATOM 0 HA3 GLY A2030 -5.958 -0.908 3.184 1.00 42.00 H new ATOM 302 N LEU A2031 -6.789 0.542 1.076 1.00 33.43 N ATOM 303 CA LEU A2031 -6.883 1.653 0.145 1.00 34.44 C ATOM 304 C LEU A2031 -8.323 2.168 0.119 1.00 53.24 C ATOM 305 O LEU A2031 -8.559 3.354 -0.109 1.00 61.23 O ATOM 306 CB LEU A2031 -6.348 1.248 -1.229 1.00 63.43 C ATOM 307 CG LEU A2031 -4.965 0.593 -1.244 1.00 64.24 C ATOM 308 CD1 LEU A2031 -4.291 0.768 -2.606 1.00 44.14 C ATOM 309 CD2 LEU A2031 -4.096 1.123 -0.103 1.00 13.10 C ATOM 0 H LEU A2031 -6.426 -0.322 0.673 1.00 33.43 H new ATOM 0 HA LEU A2031 -6.254 2.481 0.473 1.00 34.44 H new ATOM 0 HB2 LEU A2031 -7.059 0.559 -1.685 1.00 63.43 H new ATOM 0 HB3 LEU A2031 -6.314 2.136 -1.860 1.00 63.43 H new ATOM 0 HG LEU A2031 -5.092 -0.477 -1.082 1.00 64.24 H new ATOM 0 HD11 LEU A2031 -3.310 0.294 -2.590 1.00 44.14 H new ATOM 0 HD12 LEU A2031 -4.905 0.305 -3.378 1.00 44.14 H new ATOM 0 HD13 LEU A2031 -4.177 1.830 -2.822 1.00 44.14 H new ATOM 0 HD21 LEU A2031 -3.119 0.642 -0.136 1.00 13.10 H new ATOM 0 HD22 LEU A2031 -3.973 2.201 -0.209 1.00 13.10 H new ATOM 0 HD23 LEU A2031 -4.576 0.905 0.851 1.00 13.10 H new ATOM 321 N GLU A2032 -9.251 1.252 0.353 1.00 40.10 N ATOM 322 CA GLU A2032 -10.662 1.598 0.359 1.00 65.20 C ATOM 323 C GLU A2032 -10.922 2.750 1.331 1.00 63.01 C ATOM 324 O GLU A2032 -11.471 3.781 0.944 1.00 14.33 O ATOM 325 CB GLU A2032 -11.525 0.382 0.703 1.00 14.44 C ATOM 326 CG GLU A2032 -12.544 0.100 -0.400 1.00 62.41 C ATOM 327 CD GLU A2032 -13.753 1.029 -0.282 1.00 71.43 C ATOM 328 OE1 GLU A2032 -13.899 1.965 -1.081 1.00 4.23 O ATOM 329 OE2 GLU A2032 -14.562 0.751 0.685 1.00 41.12 O ATOM 0 H GLU A2032 -9.053 0.269 0.540 1.00 40.10 H new ATOM 0 HA GLU A2032 -10.940 1.925 -0.643 1.00 65.20 H new ATOM 0 HB2 GLU A2032 -10.888 -0.491 0.846 1.00 14.44 H new ATOM 0 HB3 GLU A2032 -12.044 0.556 1.646 1.00 14.44 H new ATOM 0 HG2 GLU A2032 -12.075 0.231 -1.375 1.00 62.41 H new ATOM 0 HG3 GLU A2032 -12.872 -0.938 -0.340 1.00 62.41 H new ATOM 337 N GLU A2033 -10.518 2.534 2.574 1.00 64.24 N ATOM 338 CA GLU A2033 -10.700 3.542 3.605 1.00 71.32 C ATOM 339 C GLU A2033 -9.762 4.726 3.362 1.00 14.44 C ATOM 340 O GLU A2033 -10.183 5.880 3.431 1.00 62.51 O ATOM 341 CB GLU A2033 -10.484 2.947 4.997 1.00 73.33 C ATOM 342 CG GLU A2033 -11.402 3.612 6.025 1.00 34.54 C ATOM 343 CD GLU A2033 -11.684 2.669 7.198 1.00 34.02 C ATOM 344 OE1 GLU A2033 -12.663 1.910 7.162 1.00 4.24 O ATOM 345 OE2 GLU A2033 -10.841 2.743 8.172 1.00 62.12 O ATOM 0 H GLU A2033 -10.066 1.676 2.891 1.00 64.24 H new ATOM 0 HA GLU A2033 -11.727 3.903 3.556 1.00 71.32 H new ATOM 0 HB2 GLU A2033 -10.677 1.874 4.972 1.00 73.33 H new ATOM 0 HB3 GLU A2033 -9.444 3.077 5.295 1.00 73.33 H new ATOM 0 HG2 GLU A2033 -10.939 4.528 6.393 1.00 34.54 H new ATOM 0 HG3 GLU A2033 -12.340 3.898 5.549 1.00 34.54 H new ATOM 353 N ALA A2034 -8.508 4.399 3.085 1.00 61.22 N ATOM 354 CA ALA A2034 -7.506 5.421 2.831 1.00 61.44 C ATOM 355 C ALA A2034 -7.974 6.313 1.680 1.00 54.21 C ATOM 356 O ALA A2034 -7.922 7.539 1.778 1.00 14.40 O ATOM 357 CB ALA A2034 -6.160 4.756 2.543 1.00 54.33 C ATOM 0 H ALA A2034 -8.163 3.441 3.031 1.00 61.22 H new ATOM 0 HA ALA A2034 -7.375 6.056 3.707 1.00 61.44 H new ATOM 0 HB1 ALA A2034 -5.409 5.523 2.353 1.00 54.33 H new ATOM 0 HB2 ALA A2034 -5.858 4.158 3.403 1.00 54.33 H new ATOM 0 HB3 ALA A2034 -6.252 4.113 1.668 1.00 54.33 H new ATOM 363 N SER A2035 -8.422 5.665 0.614 1.00 61.43 N ATOM 364 CA SER A2035 -8.898 6.384 -0.554 1.00 62.33 C ATOM 365 C SER A2035 -10.025 7.340 -0.158 1.00 23.23 C ATOM 366 O SER A2035 -10.038 8.497 -0.573 1.00 41.02 O ATOM 367 CB SER A2035 -9.380 5.417 -1.638 1.00 33.20 C ATOM 368 OG SER A2035 -8.303 4.692 -2.222 1.00 25.13 O ATOM 0 H SER A2035 -8.465 4.649 0.536 1.00 61.43 H new ATOM 0 HA SER A2035 -8.067 6.960 -0.962 1.00 62.33 H new ATOM 0 HB2 SER A2035 -10.097 4.718 -1.208 1.00 33.20 H new ATOM 0 HB3 SER A2035 -9.905 5.974 -2.414 1.00 33.20 H new ATOM 0 HG SER A2035 -8.189 3.840 -1.752 1.00 25.13 H new ATOM 374 N ARG A2036 -10.945 6.819 0.643 1.00 55.05 N ATOM 375 CA ARG A2036 -12.072 7.614 1.101 1.00 4.24 C ATOM 376 C ARG A2036 -11.582 8.829 1.890 1.00 0.50 C ATOM 377 O ARG A2036 -12.210 9.887 1.862 1.00 42.10 O ATOM 378 CB ARG A2036 -13.007 6.784 1.984 1.00 3.35 C ATOM 379 CG ARG A2036 -14.274 7.568 2.332 1.00 14.25 C ATOM 380 CD ARG A2036 -14.358 7.833 3.837 1.00 20.32 C ATOM 381 NE ARG A2036 -14.082 9.260 4.116 1.00 73.42 N ATOM 382 CZ ARG A2036 -13.905 9.768 5.355 1.00 60.13 C ATOM 383 NH1 ARG A2036 -13.974 8.968 6.440 1.00 61.24 N ATOM 384 NH2 ARG A2036 -13.665 11.059 5.488 1.00 44.24 N ATOM 0 H ARG A2036 -10.932 5.858 0.985 1.00 55.05 H new ATOM 0 HA ARG A2036 -12.621 7.948 0.221 1.00 4.24 H new ATOM 0 HB2 ARG A2036 -13.276 5.862 1.469 1.00 3.35 H new ATOM 0 HB3 ARG A2036 -12.489 6.498 2.900 1.00 3.35 H new ATOM 0 HG2 ARG A2036 -14.280 8.514 1.791 1.00 14.25 H new ATOM 0 HG3 ARG A2036 -15.152 7.010 2.008 1.00 14.25 H new ATOM 0 HD2 ARG A2036 -15.348 7.567 4.207 1.00 20.32 H new ATOM 0 HD3 ARG A2036 -13.641 7.205 4.366 1.00 20.32 H new ATOM 0 HE ARG A2036 -14.022 9.899 3.324 1.00 73.42 H new ATOM 0 HH11 ARG A2036 -14.161 7.972 6.328 1.00 61.24 H new ATOM 0 HH12 ARG A2036 -13.839 9.360 7.372 1.00 61.24 H new ATOM 0 HH21 ARG A2036 -13.616 11.656 4.663 1.00 44.24 H new ATOM 0 HH22 ARG A2036 -13.529 11.459 6.416 1.00 44.24 H new ATOM 396 N LEU A2037 -10.465 8.637 2.578 1.00 11.20 N ATOM 397 CA LEU A2037 -9.883 9.704 3.373 1.00 43.41 C ATOM 398 C LEU A2037 -9.298 10.767 2.441 1.00 13.43 C ATOM 399 O LEU A2037 -9.333 11.956 2.752 1.00 43.53 O ATOM 400 CB LEU A2037 -8.871 9.138 4.372 1.00 65.41 C ATOM 401 CG LEU A2037 -9.450 8.276 5.496 1.00 4.11 C ATOM 402 CD1 LEU A2037 -8.536 7.085 5.798 1.00 61.33 C ATOM 403 CD2 LEU A2037 -9.728 9.115 6.742 1.00 75.12 C ATOM 0 H LEU A2037 -9.948 7.758 2.601 1.00 11.20 H new ATOM 0 HA LEU A2037 -10.650 10.193 3.974 1.00 43.41 H new ATOM 0 HB2 LEU A2037 -8.142 8.542 3.823 1.00 65.41 H new ATOM 0 HB3 LEU A2037 -8.329 9.970 4.821 1.00 65.41 H new ATOM 0 HG LEU A2037 -10.406 7.873 5.161 1.00 4.11 H new ATOM 0 HD11 LEU A2037 -8.970 6.488 6.600 1.00 61.33 H new ATOM 0 HD12 LEU A2037 -8.432 6.470 4.904 1.00 61.33 H new ATOM 0 HD13 LEU A2037 -7.555 7.448 6.105 1.00 61.33 H new ATOM 0 HD21 LEU A2037 -10.139 8.478 7.525 1.00 75.12 H new ATOM 0 HD22 LEU A2037 -8.799 9.566 7.091 1.00 75.12 H new ATOM 0 HD23 LEU A2037 -10.444 9.900 6.500 1.00 75.12 H new ATOM 415 N TYR A2038 -8.772 10.301 1.319 1.00 63.51 N ATOM 416 CA TYR A2038 -8.180 11.197 0.340 1.00 65.54 C ATOM 417 C TYR A2038 -9.251 11.793 -0.576 1.00 14.24 C ATOM 418 O TYR A2038 -9.364 13.012 -0.694 1.00 20.00 O ATOM 419 CB TYR A2038 -7.230 10.338 -0.497 1.00 73.15 C ATOM 420 CG TYR A2038 -6.622 11.072 -1.694 1.00 43.10 C ATOM 421 CD1 TYR A2038 -5.593 11.971 -1.502 1.00 43.51 C ATOM 422 CD2 TYR A2038 -7.100 10.831 -2.966 1.00 23.20 C ATOM 423 CE1 TYR A2038 -5.020 12.662 -2.630 1.00 33.31 C ATOM 424 CE2 TYR A2038 -6.528 11.521 -4.094 1.00 4.42 C ATOM 425 CZ TYR A2038 -5.516 12.402 -3.870 1.00 35.42 C ATOM 426 OH TYR A2038 -4.975 13.053 -4.933 1.00 54.51 O ATOM 0 H TYR A2038 -8.743 9.313 1.065 1.00 63.51 H new ATOM 0 HA TYR A2038 -7.670 12.024 0.835 1.00 65.54 H new ATOM 0 HB2 TYR A2038 -6.425 9.976 0.142 1.00 73.15 H new ATOM 0 HB3 TYR A2038 -7.770 9.462 -0.856 1.00 73.15 H new ATOM 0 HD1 TYR A2038 -5.217 12.157 -0.507 1.00 43.51 H new ATOM 0 HD2 TYR A2038 -7.903 10.125 -3.116 1.00 23.20 H new ATOM 0 HE1 TYR A2038 -4.216 13.370 -2.494 1.00 33.31 H new ATOM 0 HE2 TYR A2038 -6.894 11.343 -5.094 1.00 4.42 H new ATOM 0 HH TYR A2038 -5.426 12.768 -5.755 1.00 54.51 H new ATOM 436 N PHE A2039 -10.011 10.906 -1.201 1.00 33.30 N ATOM 437 CA PHE A2039 -11.069 11.329 -2.103 1.00 35.21 C ATOM 438 C PHE A2039 -12.218 11.982 -1.332 1.00 34.13 C ATOM 439 O PHE A2039 -12.680 13.062 -1.696 1.00 54.11 O ATOM 440 CB PHE A2039 -11.589 10.072 -2.803 1.00 2.32 C ATOM 441 CG PHE A2039 -10.658 9.537 -3.893 1.00 63.41 C ATOM 442 CD1 PHE A2039 -10.597 10.157 -5.101 1.00 52.54 C ATOM 443 CD2 PHE A2039 -9.893 8.438 -3.653 1.00 13.13 C ATOM 444 CE1 PHE A2039 -9.733 9.660 -6.111 1.00 41.11 C ATOM 445 CE2 PHE A2039 -9.028 7.941 -4.665 1.00 75.24 C ATOM 446 CZ PHE A2039 -8.966 8.563 -5.873 1.00 35.32 C ATOM 0 H PHE A2039 -9.915 9.895 -1.101 1.00 33.30 H new ATOM 0 HA PHE A2039 -10.683 12.060 -2.814 1.00 35.21 H new ATOM 0 HB2 PHE A2039 -11.745 9.292 -2.058 1.00 2.32 H new ATOM 0 HB3 PHE A2039 -12.561 10.290 -3.245 1.00 2.32 H new ATOM 0 HD1 PHE A2039 -11.206 11.028 -5.292 1.00 52.54 H new ATOM 0 HD2 PHE A2039 -9.943 7.944 -2.694 1.00 13.13 H new ATOM 0 HE1 PHE A2039 -9.685 10.154 -7.070 1.00 41.11 H new ATOM 0 HE2 PHE A2039 -8.420 7.069 -4.475 1.00 75.24 H new ATOM 0 HZ PHE A2039 -8.308 8.186 -6.642 1.00 35.32 H new ATOM 456 N GLY A2040 -12.645 11.299 -0.280 1.00 62.22 N ATOM 457 CA GLY A2040 -13.732 11.799 0.544 1.00 55.52 C ATOM 458 C GLY A2040 -13.398 13.180 1.113 1.00 33.34 C ATOM 459 O GLY A2040 -14.141 14.137 0.906 1.00 24.30 O ATOM 0 H GLY A2040 -12.258 10.404 0.020 1.00 62.22 H new ATOM 0 HA2 GLY A2040 -14.645 11.857 -0.048 1.00 55.52 H new ATOM 0 HA3 GLY A2040 -13.925 11.102 1.360 1.00 55.52 H new ATOM 463 N GLU A2041 -12.278 13.238 1.821 1.00 62.14 N ATOM 464 CA GLU A2041 -11.837 14.486 2.420 1.00 22.05 C ATOM 465 C GLU A2041 -10.388 14.779 2.026 1.00 54.54 C ATOM 466 O GLU A2041 -9.698 13.914 1.492 1.00 33.23 O ATOM 467 CB GLU A2041 -11.995 14.448 3.943 1.00 45.23 C ATOM 468 CG GLU A2041 -11.836 15.846 4.543 1.00 75.31 C ATOM 469 CD GLU A2041 -12.622 16.883 3.739 1.00 34.31 C ATOM 470 OE1 GLU A2041 -12.059 17.912 3.336 1.00 24.14 O ATOM 471 OE2 GLU A2041 -13.862 16.590 3.536 1.00 54.43 O ATOM 0 H GLU A2041 -11.664 12.442 1.993 1.00 62.14 H new ATOM 0 HA GLU A2041 -12.466 15.292 2.042 1.00 22.05 H new ATOM 0 HB2 GLU A2041 -12.975 14.046 4.201 1.00 45.23 H new ATOM 0 HB3 GLU A2041 -11.252 13.777 4.373 1.00 45.23 H new ATOM 0 HG2 GLU A2041 -12.183 15.843 5.576 1.00 75.31 H new ATOM 0 HG3 GLU A2041 -10.781 16.119 4.562 1.00 75.31 H new ATOM 479 N ARG A2042 -9.970 16.006 2.306 1.00 13.11 N ATOM 480 CA ARG A2042 -8.616 16.425 1.989 1.00 10.33 C ATOM 481 C ARG A2042 -7.672 16.097 3.147 1.00 24.31 C ATOM 482 O ARG A2042 -6.828 16.911 3.516 1.00 64.23 O ATOM 483 CB ARG A2042 -8.558 17.927 1.703 1.00 60.00 C ATOM 484 CG ARG A2042 -7.792 18.210 0.410 1.00 4.51 C ATOM 485 CD ARG A2042 -8.502 17.589 -0.795 1.00 23.14 C ATOM 486 NE ARG A2042 -8.837 18.640 -1.783 1.00 44.20 N ATOM 487 CZ ARG A2042 -9.850 18.549 -2.671 1.00 53.24 C ATOM 488 NH1 ARG A2042 -10.637 17.454 -2.701 1.00 61.21 N ATOM 489 NH2 ARG A2042 -10.059 19.548 -3.507 1.00 51.33 N ATOM 0 H ARG A2042 -10.546 16.722 2.749 1.00 13.11 H new ATOM 0 HA ARG A2042 -8.302 15.883 1.097 1.00 10.33 H new ATOM 0 HB2 ARG A2042 -9.570 18.325 1.625 1.00 60.00 H new ATOM 0 HB3 ARG A2042 -8.076 18.441 2.535 1.00 60.00 H new ATOM 0 HG2 ARG A2042 -7.699 19.286 0.267 1.00 4.51 H new ATOM 0 HG3 ARG A2042 -6.781 17.810 0.487 1.00 4.51 H new ATOM 0 HD2 ARG A2042 -7.863 16.836 -1.256 1.00 23.14 H new ATOM 0 HD3 ARG A2042 -9.410 17.081 -0.470 1.00 23.14 H new ATOM 0 HE ARG A2042 -8.267 19.486 -1.793 1.00 44.20 H new ATOM 0 HH11 ARG A2042 -10.469 16.687 -2.050 1.00 61.21 H new ATOM 0 HH12 ARG A2042 -11.400 17.393 -3.375 1.00 61.21 H new ATOM 0 HH21 ARG A2042 -9.460 20.373 -3.476 1.00 51.33 H new ATOM 0 HH22 ARG A2042 -10.820 19.496 -4.184 1.00 51.33 H new ATOM 501 N ASN A2043 -7.846 14.899 3.688 1.00 33.44 N ATOM 502 CA ASN A2043 -7.021 14.452 4.797 1.00 63.14 C ATOM 503 C ASN A2043 -6.331 13.141 4.418 1.00 25.14 C ATOM 504 O ASN A2043 -6.887 12.061 4.617 1.00 43.25 O ATOM 505 CB ASN A2043 -7.868 14.197 6.045 1.00 15.42 C ATOM 506 CG ASN A2043 -8.094 15.491 6.829 1.00 70.33 C ATOM 507 OD1 ASN A2043 -7.461 16.508 6.595 1.00 64.53 O ATOM 508 ND2 ASN A2043 -9.029 15.398 7.768 1.00 75.43 N ATOM 0 H ASN A2043 -8.546 14.225 3.378 1.00 33.44 H new ATOM 0 HA ASN A2043 -6.291 15.232 5.010 1.00 63.14 H new ATOM 0 HB2 ASN A2043 -8.829 13.771 5.756 1.00 15.42 H new ATOM 0 HB3 ASN A2043 -7.372 13.464 6.682 1.00 15.42 H new ATOM 0 HD21 ASN A2043 -9.255 16.208 8.345 1.00 75.43 H new ATOM 0 HD22 ASN A2043 -9.521 14.516 7.912 1.00 75.43 H new ATOM 515 N VAL A2044 -5.129 13.276 3.879 1.00 44.23 N ATOM 516 CA VAL A2044 -4.357 12.115 3.467 1.00 64.12 C ATOM 517 C VAL A2044 -3.845 11.383 4.710 1.00 14.44 C ATOM 518 O VAL A2044 -3.400 10.241 4.622 1.00 21.43 O ATOM 519 CB VAL A2044 -3.234 12.541 2.521 1.00 41.51 C ATOM 520 CG1 VAL A2044 -3.801 13.097 1.212 1.00 1.01 C ATOM 521 CG2 VAL A2044 -2.306 13.556 3.191 1.00 34.33 C ATOM 0 H VAL A2044 -4.670 14.172 3.718 1.00 44.23 H new ATOM 0 HA VAL A2044 -4.984 11.417 2.912 1.00 64.12 H new ATOM 0 HB VAL A2044 -2.644 11.656 2.282 1.00 41.51 H new ATOM 0 HG11 VAL A2044 -2.981 13.393 0.557 1.00 1.01 H new ATOM 0 HG12 VAL A2044 -4.400 12.331 0.720 1.00 1.01 H new ATOM 0 HG13 VAL A2044 -4.426 13.964 1.425 1.00 1.01 H new ATOM 0 HG21 VAL A2044 -1.517 13.842 2.496 1.00 34.33 H new ATOM 0 HG22 VAL A2044 -2.877 14.440 3.474 1.00 34.33 H new ATOM 0 HG23 VAL A2044 -1.862 13.111 4.081 1.00 34.33 H new ATOM 531 N LYS A2045 -3.927 12.073 5.839 1.00 42.01 N ATOM 532 CA LYS A2045 -3.479 11.502 7.099 1.00 64.02 C ATOM 533 C LYS A2045 -4.115 10.125 7.284 1.00 73.34 C ATOM 534 O LYS A2045 -3.441 9.174 7.680 1.00 31.51 O ATOM 535 CB LYS A2045 -3.754 12.469 8.252 1.00 31.10 C ATOM 536 CG LYS A2045 -5.088 13.193 8.055 1.00 0.22 C ATOM 537 CD LYS A2045 -4.871 14.600 7.494 1.00 41.31 C ATOM 538 CE LYS A2045 -4.807 15.634 8.619 1.00 40.22 C ATOM 539 NZ LYS A2045 -4.502 16.976 8.072 1.00 72.15 N ATOM 0 H LYS A2045 -4.297 13.021 5.908 1.00 42.01 H new ATOM 0 HA LYS A2045 -2.399 11.354 7.089 1.00 64.02 H new ATOM 0 HB2 LYS A2045 -3.769 11.922 9.195 1.00 31.10 H new ATOM 0 HB3 LYS A2045 -2.947 13.198 8.320 1.00 31.10 H new ATOM 0 HG2 LYS A2045 -5.720 12.620 7.376 1.00 0.22 H new ATOM 0 HG3 LYS A2045 -5.616 13.255 9.006 1.00 0.22 H new ATOM 0 HD2 LYS A2045 -3.946 14.627 6.917 1.00 41.31 H new ATOM 0 HD3 LYS A2045 -5.681 14.852 6.810 1.00 41.31 H new ATOM 0 HE2 LYS A2045 -5.757 15.659 9.152 1.00 40.22 H new ATOM 0 HE3 LYS A2045 -4.043 15.347 9.342 1.00 40.22 H new ATOM 0 HZ1 LYS A2045 -4.462 17.667 8.849 1.00 72.15 H new ATOM 0 HZ2 LYS A2045 -3.584 16.951 7.583 1.00 72.15 H new ATOM 0 HZ3 LYS A2045 -5.245 17.254 7.400 1.00 72.15 H new ATOM 552 N GLY A2046 -5.406 10.060 6.993 1.00 65.34 N ATOM 553 CA GLY A2046 -6.142 8.813 7.123 1.00 74.31 C ATOM 554 C GLY A2046 -5.452 7.686 6.354 1.00 0.20 C ATOM 555 O GLY A2046 -5.175 6.626 6.913 1.00 4.22 O ATOM 0 H GLY A2046 -5.962 10.851 6.667 1.00 65.34 H new ATOM 0 HA2 GLY A2046 -6.223 8.543 8.176 1.00 74.31 H new ATOM 0 HA3 GLY A2046 -7.157 8.945 6.748 1.00 74.31 H new ATOM 559 N MET A2047 -5.193 7.953 5.081 1.00 51.23 N ATOM 560 CA MET A2047 -4.540 6.975 4.229 1.00 25.10 C ATOM 561 C MET A2047 -3.228 6.495 4.850 1.00 22.11 C ATOM 562 O MET A2047 -2.962 5.296 4.899 1.00 1.44 O ATOM 563 CB MET A2047 -4.261 7.596 2.859 1.00 14.32 C ATOM 564 CG MET A2047 -3.239 6.767 2.079 1.00 31.23 C ATOM 565 SD MET A2047 -1.584 7.263 2.524 1.00 50.20 S ATOM 566 CE MET A2047 -1.683 9.013 2.182 1.00 72.22 C ATOM 0 H MET A2047 -5.424 8.833 4.620 1.00 51.23 H new ATOM 0 HA MET A2047 -5.203 6.117 4.120 1.00 25.10 H new ATOM 0 HB2 MET A2047 -5.189 7.664 2.291 1.00 14.32 H new ATOM 0 HB3 MET A2047 -3.889 8.613 2.986 1.00 14.32 H new ATOM 0 HG2 MET A2047 -3.380 5.707 2.292 1.00 31.23 H new ATOM 0 HG3 MET A2047 -3.392 6.900 1.008 1.00 31.23 H new ATOM 0 HE1 MET A2047 -0.801 9.325 1.623 1.00 72.22 H new ATOM 0 HE2 MET A2047 -2.577 9.219 1.593 1.00 72.22 H new ATOM 0 HE3 MET A2047 -1.732 9.565 3.121 1.00 72.22 H new ATOM 576 N PHE A2048 -2.441 7.458 5.310 1.00 42.32 N ATOM 577 CA PHE A2048 -1.162 7.149 5.925 1.00 44.34 C ATOM 578 C PHE A2048 -1.352 6.330 7.203 1.00 54.41 C ATOM 579 O PHE A2048 -0.580 5.413 7.478 1.00 31.02 O ATOM 580 CB PHE A2048 -0.504 8.483 6.279 1.00 11.42 C ATOM 581 CG PHE A2048 0.101 9.218 5.083 1.00 25.31 C ATOM 582 CD1 PHE A2048 0.756 8.521 4.116 1.00 24.42 C ATOM 583 CD2 PHE A2048 -0.018 10.571 4.983 1.00 25.34 C ATOM 584 CE1 PHE A2048 1.316 9.203 3.004 1.00 23.31 C ATOM 585 CE2 PHE A2048 0.542 11.252 3.872 1.00 24.24 C ATOM 586 CZ PHE A2048 1.198 10.554 2.904 1.00 14.14 C ATOM 0 H PHE A2048 -2.665 8.452 5.269 1.00 42.32 H new ATOM 0 HA PHE A2048 -0.550 6.563 5.239 1.00 44.34 H new ATOM 0 HB2 PHE A2048 -1.246 9.128 6.751 1.00 11.42 H new ATOM 0 HB3 PHE A2048 0.279 8.305 7.016 1.00 11.42 H new ATOM 0 HD1 PHE A2048 0.850 7.448 4.194 1.00 24.42 H new ATOM 0 HD2 PHE A2048 -0.539 11.125 5.750 1.00 25.34 H new ATOM 0 HE1 PHE A2048 1.836 8.648 2.237 1.00 23.31 H new ATOM 0 HE2 PHE A2048 0.448 12.325 3.794 1.00 24.24 H new ATOM 0 HZ PHE A2048 1.624 11.073 2.058 1.00 14.14 H new ATOM 596 N GLU A2049 -2.385 6.694 7.951 1.00 2.23 N ATOM 597 CA GLU A2049 -2.685 6.004 9.195 1.00 24.32 C ATOM 598 C GLU A2049 -3.327 4.643 8.906 1.00 2.12 C ATOM 599 O GLU A2049 -3.425 3.799 9.795 1.00 41.03 O ATOM 600 CB GLU A2049 -3.588 6.856 10.089 1.00 32.14 C ATOM 601 CG GLU A2049 -2.970 8.233 10.338 1.00 3.13 C ATOM 602 CD GLU A2049 -4.053 9.280 10.601 1.00 54.44 C ATOM 603 OE1 GLU A2049 -5.172 9.158 10.082 1.00 71.24 O ATOM 604 OE2 GLU A2049 -3.700 10.250 11.375 1.00 15.43 O ATOM 0 H GLU A2049 -3.023 7.456 7.720 1.00 2.23 H new ATOM 0 HA GLU A2049 -1.750 5.837 9.730 1.00 24.32 H new ATOM 0 HB2 GLU A2049 -4.565 6.971 9.620 1.00 32.14 H new ATOM 0 HB3 GLU A2049 -3.748 6.348 11.040 1.00 32.14 H new ATOM 0 HG2 GLU A2049 -2.293 8.183 11.191 1.00 3.13 H new ATOM 0 HG3 GLU A2049 -2.374 8.530 9.475 1.00 3.13 H new ATOM 612 N VAL A2050 -3.744 4.476 7.660 1.00 60.44 N ATOM 613 CA VAL A2050 -4.372 3.232 7.244 1.00 50.03 C ATOM 614 C VAL A2050 -3.289 2.220 6.865 1.00 11.21 C ATOM 615 O VAL A2050 -3.374 1.050 7.231 1.00 74.32 O ATOM 616 CB VAL A2050 -5.363 3.502 6.108 1.00 2.20 C ATOM 617 CG1 VAL A2050 -5.725 2.208 5.380 1.00 63.22 C ATOM 618 CG2 VAL A2050 -6.616 4.207 6.630 1.00 31.20 C ATOM 0 H VAL A2050 -3.660 5.179 6.926 1.00 60.44 H new ATOM 0 HA VAL A2050 -4.946 2.800 8.064 1.00 50.03 H new ATOM 0 HB VAL A2050 -4.880 4.166 5.391 1.00 2.20 H new ATOM 0 HG11 VAL A2050 -6.430 2.427 4.578 1.00 63.22 H new ATOM 0 HG12 VAL A2050 -4.823 1.763 4.959 1.00 63.22 H new ATOM 0 HG13 VAL A2050 -6.180 1.510 6.083 1.00 63.22 H new ATOM 0 HG21 VAL A2050 -7.303 4.387 5.803 1.00 31.20 H new ATOM 0 HG22 VAL A2050 -7.103 3.579 7.376 1.00 31.20 H new ATOM 0 HG23 VAL A2050 -6.336 5.158 7.083 1.00 31.20 H new ATOM 628 N LEU A2051 -2.296 2.709 6.138 1.00 44.43 N ATOM 629 CA LEU A2051 -1.198 1.862 5.705 1.00 42.11 C ATOM 630 C LEU A2051 -0.253 1.620 6.882 1.00 34.14 C ATOM 631 O LEU A2051 0.154 0.485 7.133 1.00 55.25 O ATOM 632 CB LEU A2051 -0.509 2.462 4.477 1.00 41.33 C ATOM 633 CG LEU A2051 -1.388 2.646 3.238 1.00 53.13 C ATOM 634 CD1 LEU A2051 -2.866 2.437 3.577 1.00 13.22 C ATOM 635 CD2 LEU A2051 -1.137 4.009 2.586 1.00 22.24 C ATOM 0 H LEU A2051 -2.229 3.681 5.838 1.00 44.43 H new ATOM 0 HA LEU A2051 -1.571 0.888 5.388 1.00 42.11 H new ATOM 0 HB2 LEU A2051 -0.098 3.433 4.754 1.00 41.33 H new ATOM 0 HB3 LEU A2051 0.333 1.824 4.209 1.00 41.33 H new ATOM 0 HG LEU A2051 -1.114 1.883 2.509 1.00 53.13 H new ATOM 0 HD11 LEU A2051 -3.468 2.574 2.679 1.00 13.22 H new ATOM 0 HD12 LEU A2051 -3.012 1.428 3.962 1.00 13.22 H new ATOM 0 HD13 LEU A2051 -3.172 3.161 4.332 1.00 13.22 H new ATOM 0 HD21 LEU A2051 -1.774 4.115 1.708 1.00 22.24 H new ATOM 0 HD22 LEU A2051 -1.367 4.801 3.299 1.00 22.24 H new ATOM 0 HD23 LEU A2051 -0.091 4.082 2.287 1.00 22.24 H new ATOM 647 N GLU A2052 0.069 2.703 7.575 1.00 1.23 N ATOM 648 CA GLU A2052 0.959 2.621 8.721 1.00 43.21 C ATOM 649 C GLU A2052 0.743 1.303 9.467 1.00 41.53 C ATOM 650 O GLU A2052 1.687 0.541 9.673 1.00 61.40 O ATOM 651 CB GLU A2052 0.764 3.819 9.653 1.00 22.01 C ATOM 652 CG GLU A2052 2.005 4.714 9.663 1.00 51.34 C ATOM 653 CD GLU A2052 2.964 4.307 10.783 1.00 11.11 C ATOM 654 OE1 GLU A2052 2.517 3.871 11.855 1.00 71.21 O ATOM 655 OE2 GLU A2052 4.217 4.457 10.511 1.00 33.22 O ATOM 0 H GLU A2052 -0.270 3.642 7.365 1.00 1.23 H new ATOM 0 HA GLU A2052 1.988 2.647 8.361 1.00 43.21 H new ATOM 0 HB2 GLU A2052 -0.103 4.397 9.332 1.00 22.01 H new ATOM 0 HB3 GLU A2052 0.556 3.468 10.664 1.00 22.01 H new ATOM 0 HG2 GLU A2052 2.514 4.647 8.701 1.00 51.34 H new ATOM 0 HG3 GLU A2052 1.707 5.754 9.794 1.00 51.34 H new ATOM 663 N PRO A2053 -0.536 1.070 9.863 1.00 24.12 N ATOM 664 CA PRO A2053 -0.888 -0.142 10.583 1.00 71.33 C ATOM 665 C PRO A2053 -0.922 -1.347 9.642 1.00 12.10 C ATOM 666 O PRO A2053 -0.297 -2.371 9.916 1.00 32.52 O ATOM 667 CB PRO A2053 -2.236 0.155 11.219 1.00 22.22 C ATOM 668 CG PRO A2053 -2.804 1.341 10.455 1.00 51.45 C ATOM 669 CD PRO A2053 -1.679 1.951 9.638 1.00 14.42 C ATOM 0 HA PRO A2053 -0.155 -0.408 11.344 1.00 71.33 H new ATOM 0 HB2 PRO A2053 -2.899 -0.708 11.151 1.00 22.22 H new ATOM 0 HB3 PRO A2053 -2.125 0.389 12.278 1.00 22.22 H new ATOM 0 HG2 PRO A2053 -3.618 1.021 9.805 1.00 51.45 H new ATOM 0 HG3 PRO A2053 -3.217 2.077 11.145 1.00 51.45 H new ATOM 0 HD2 PRO A2053 -1.939 2.000 8.581 1.00 14.42 H new ATOM 0 HD3 PRO A2053 -1.463 2.970 9.960 1.00 14.42 H new ATOM 677 N LEU A2054 -1.659 -1.186 8.553 1.00 62.10 N ATOM 678 CA LEU A2054 -1.783 -2.250 7.569 1.00 42.15 C ATOM 679 C LEU A2054 -0.391 -2.775 7.215 1.00 52.21 C ATOM 680 O LEU A2054 -0.120 -3.968 7.350 1.00 72.44 O ATOM 681 CB LEU A2054 -2.588 -1.770 6.360 1.00 53.53 C ATOM 682 CG LEU A2054 -4.106 -1.725 6.538 1.00 30.10 C ATOM 683 CD1 LEU A2054 -4.803 -1.398 5.216 1.00 75.43 C ATOM 684 CD2 LEU A2054 -4.625 -3.028 7.152 1.00 73.20 C ATOM 0 H LEU A2054 -2.176 -0.336 8.330 1.00 62.10 H new ATOM 0 HA LEU A2054 -2.344 -3.089 7.982 1.00 42.15 H new ATOM 0 HB2 LEU A2054 -2.244 -0.771 6.094 1.00 53.53 H new ATOM 0 HB3 LEU A2054 -2.361 -2.421 5.516 1.00 53.53 H new ATOM 0 HG LEU A2054 -4.345 -0.922 7.236 1.00 30.10 H new ATOM 0 HD11 LEU A2054 -5.882 -1.372 5.370 1.00 75.43 H new ATOM 0 HD12 LEU A2054 -4.464 -0.426 4.857 1.00 75.43 H new ATOM 0 HD13 LEU A2054 -4.560 -2.162 4.478 1.00 75.43 H new ATOM 0 HD21 LEU A2054 -5.707 -2.970 7.268 1.00 73.20 H new ATOM 0 HD22 LEU A2054 -4.375 -3.863 6.498 1.00 73.20 H new ATOM 0 HD23 LEU A2054 -4.163 -3.180 8.128 1.00 73.20 H new ATOM 696 N HIS A2055 0.456 -1.859 6.766 1.00 31.41 N ATOM 697 CA HIS A2055 1.813 -2.215 6.391 1.00 53.12 C ATOM 698 C HIS A2055 2.538 -2.817 7.596 1.00 13.23 C ATOM 699 O HIS A2055 3.135 -3.888 7.496 1.00 12.04 O ATOM 700 CB HIS A2055 2.546 -1.010 5.799 1.00 23.10 C ATOM 701 CG HIS A2055 2.017 -0.568 4.454 1.00 32.41 C ATOM 702 ND1 HIS A2055 2.443 0.587 3.824 1.00 65.22 N ATOM 703 CD2 HIS A2055 1.093 -1.141 3.628 1.00 12.01 C ATOM 704 CE1 HIS A2055 1.798 0.697 2.672 1.00 72.41 C ATOM 705 NE2 HIS A2055 0.962 -0.375 2.553 1.00 75.50 N ATOM 0 H HIS A2055 0.228 -0.871 6.654 1.00 31.41 H new ATOM 0 HA HIS A2055 1.791 -2.974 5.609 1.00 53.12 H new ATOM 0 HB2 HIS A2055 2.476 -0.176 6.497 1.00 23.10 H new ATOM 0 HB3 HIS A2055 3.604 -1.254 5.699 1.00 23.10 H new ATOM 0 HD2 HIS A2055 0.560 -2.061 3.818 1.00 12.01 H new ATOM 0 HE1 HIS A2055 1.914 1.495 1.953 1.00 72.41 H new ATOM 0 HE2 HIS A2055 0.339 -0.557 1.766 1.00 75.50 H new ATOM 714 N ALA A2056 2.463 -2.101 8.708 1.00 10.32 N ATOM 715 CA ALA A2056 3.106 -2.551 9.933 1.00 62.12 C ATOM 716 C ALA A2056 2.682 -3.991 10.227 1.00 51.11 C ATOM 717 O ALA A2056 3.524 -4.850 10.478 1.00 4.03 O ATOM 718 CB ALA A2056 2.755 -1.594 11.075 1.00 44.43 C ATOM 0 H ALA A2056 1.967 -1.213 8.787 1.00 10.32 H new ATOM 0 HA ALA A2056 4.190 -2.543 9.823 1.00 62.12 H new ATOM 0 HB1 ALA A2056 3.237 -1.931 11.993 1.00 44.43 H new ATOM 0 HB2 ALA A2056 3.104 -0.591 10.829 1.00 44.43 H new ATOM 0 HB3 ALA A2056 1.674 -1.578 11.217 1.00 44.43 H new ATOM 724 N MET A2057 1.376 -4.210 10.185 1.00 50.44 N ATOM 725 CA MET A2057 0.830 -5.531 10.445 1.00 41.15 C ATOM 726 C MET A2057 1.522 -6.589 9.582 1.00 51.44 C ATOM 727 O MET A2057 1.791 -7.694 10.049 1.00 45.51 O ATOM 728 CB MET A2057 -0.671 -5.530 10.145 1.00 31.45 C ATOM 729 CG MET A2057 -1.016 -6.561 9.068 1.00 33.31 C ATOM 730 SD MET A2057 -2.781 -6.612 8.814 1.00 62.02 S ATOM 731 CE MET A2057 -2.834 -7.134 7.109 1.00 62.44 C ATOM 0 H MET A2057 0.680 -3.495 9.975 1.00 50.44 H new ATOM 0 HA MET A2057 1.001 -5.775 11.493 1.00 41.15 H new ATOM 0 HB2 MET A2057 -1.228 -5.750 11.056 1.00 31.45 H new ATOM 0 HB3 MET A2057 -0.979 -4.538 9.815 1.00 31.45 H new ATOM 0 HG2 MET A2057 -0.513 -6.306 8.135 1.00 33.31 H new ATOM 0 HG3 MET A2057 -0.655 -7.545 9.366 1.00 33.31 H new ATOM 0 HE1 MET A2057 -3.872 -7.234 6.791 1.00 62.44 H new ATOM 0 HE2 MET A2057 -2.334 -6.393 6.486 1.00 62.44 H new ATOM 0 HE3 MET A2057 -2.329 -8.094 7.007 1.00 62.44 H new ATOM 741 N MET A2058 1.791 -6.212 8.341 1.00 40.11 N ATOM 742 CA MET A2058 2.446 -7.115 7.410 1.00 41.15 C ATOM 743 C MET A2058 3.892 -7.383 7.833 1.00 63.43 C ATOM 744 O MET A2058 4.409 -8.479 7.626 1.00 72.33 O ATOM 745 CB MET A2058 2.429 -6.503 6.008 1.00 11.21 C ATOM 746 CG MET A2058 0.998 -6.391 5.477 1.00 44.50 C ATOM 747 SD MET A2058 0.687 -7.685 4.286 1.00 11.45 S ATOM 748 CE MET A2058 -1.014 -8.061 4.677 1.00 31.05 C ATOM 0 H MET A2058 1.567 -5.293 7.958 1.00 40.11 H new ATOM 0 HA MET A2058 1.906 -8.062 7.409 1.00 41.15 H new ATOM 0 HB2 MET A2058 2.890 -5.516 6.032 1.00 11.21 H new ATOM 0 HB3 MET A2058 3.025 -7.116 5.332 1.00 11.21 H new ATOM 0 HG2 MET A2058 0.288 -6.465 6.301 1.00 44.50 H new ATOM 0 HG3 MET A2058 0.848 -5.416 5.014 1.00 44.50 H new ATOM 0 HE1 MET A2058 -1.535 -8.374 3.772 1.00 31.05 H new ATOM 0 HE2 MET A2058 -1.049 -8.865 5.412 1.00 31.05 H new ATOM 0 HE3 MET A2058 -1.498 -7.174 5.086 1.00 31.05 H new ATOM 758 N GLU A2059 4.502 -6.363 8.419 1.00 41.41 N ATOM 759 CA GLU A2059 5.878 -6.475 8.872 1.00 73.00 C ATOM 760 C GLU A2059 5.954 -7.349 10.127 1.00 73.22 C ATOM 761 O GLU A2059 6.568 -8.414 10.112 1.00 43.13 O ATOM 762 CB GLU A2059 6.485 -5.095 9.128 1.00 54.23 C ATOM 763 CG GLU A2059 6.034 -4.092 8.064 1.00 13.13 C ATOM 764 CD GLU A2059 5.874 -4.771 6.703 1.00 50.24 C ATOM 765 OE1 GLU A2059 4.890 -4.514 5.993 1.00 74.15 O ATOM 766 OE2 GLU A2059 6.817 -5.594 6.389 1.00 34.14 O ATOM 0 H GLU A2059 4.069 -5.456 8.590 1.00 41.41 H new ATOM 0 HA GLU A2059 6.462 -6.952 8.084 1.00 73.00 H new ATOM 0 HB2 GLU A2059 6.189 -4.741 10.115 1.00 54.23 H new ATOM 0 HB3 GLU A2059 7.573 -5.166 9.128 1.00 54.23 H new ATOM 0 HG2 GLU A2059 5.088 -3.641 8.363 1.00 13.13 H new ATOM 0 HG3 GLU A2059 6.762 -3.285 7.988 1.00 13.13 H new ATOM 774 N ARG A2060 5.318 -6.865 11.186 1.00 44.24 N ATOM 775 CA ARG A2060 5.306 -7.587 12.446 1.00 63.22 C ATOM 776 C ARG A2060 4.422 -8.831 12.336 1.00 51.33 C ATOM 777 O ARG A2060 4.534 -9.749 13.146 1.00 42.22 O ATOM 778 CB ARG A2060 4.791 -6.702 13.583 1.00 63.03 C ATOM 779 CG ARG A2060 3.331 -6.306 13.351 1.00 11.41 C ATOM 780 CD ARG A2060 2.838 -5.360 14.448 1.00 23.22 C ATOM 781 NE ARG A2060 2.385 -4.085 13.850 1.00 73.34 N ATOM 782 CZ ARG A2060 1.735 -3.119 14.533 1.00 55.31 C ATOM 783 NH1 ARG A2060 1.459 -3.274 15.846 1.00 22.12 N ATOM 784 NH2 ARG A2060 1.375 -2.018 13.899 1.00 13.40 N ATOM 0 H ARG A2060 4.808 -5.982 11.196 1.00 44.24 H new ATOM 0 HA ARG A2060 6.331 -7.884 12.668 1.00 63.22 H new ATOM 0 HB2 ARG A2060 4.882 -7.232 14.531 1.00 63.03 H new ATOM 0 HB3 ARG A2060 5.407 -5.806 13.659 1.00 63.03 H new ATOM 0 HG2 ARG A2060 3.231 -5.824 12.378 1.00 11.41 H new ATOM 0 HG3 ARG A2060 2.707 -7.200 13.329 1.00 11.41 H new ATOM 0 HD2 ARG A2060 2.020 -5.824 14.999 1.00 23.22 H new ATOM 0 HD3 ARG A2060 3.638 -5.172 15.164 1.00 23.22 H new ATOM 0 HE ARG A2060 2.576 -3.926 12.861 1.00 73.34 H new ATOM 0 HH11 ARG A2060 1.742 -4.126 16.330 1.00 22.12 H new ATOM 0 HH12 ARG A2060 0.967 -2.539 16.354 1.00 22.12 H new ATOM 0 HH21 ARG A2060 1.589 -1.907 12.908 1.00 13.40 H new ATOM 0 HH22 ARG A2060 0.883 -1.278 14.400 1.00 13.40 H new ATOM 796 N GLY A2061 3.563 -8.820 11.327 1.00 50.23 N ATOM 797 CA GLY A2061 2.661 -9.936 11.101 1.00 43.55 C ATOM 798 C GLY A2061 2.948 -10.610 9.757 1.00 44.21 C ATOM 799 O GLY A2061 2.250 -10.365 8.775 1.00 40.03 O ATOM 0 H GLY A2061 3.473 -8.056 10.657 1.00 50.23 H new ATOM 0 HA2 GLY A2061 2.767 -10.663 11.906 1.00 43.55 H new ATOM 0 HA3 GLY A2061 1.629 -9.585 11.123 1.00 43.55 H new ATOM 803 N PRO A2062 4.004 -11.467 9.759 1.00 50.21 N ATOM 804 CA PRO A2062 4.393 -12.177 8.552 1.00 24.51 C ATOM 805 C PRO A2062 3.420 -13.322 8.252 1.00 53.44 C ATOM 806 O PRO A2062 2.302 -13.340 8.764 1.00 51.30 O ATOM 807 CB PRO A2062 5.810 -12.658 8.817 1.00 52.15 C ATOM 808 CG PRO A2062 5.993 -12.602 10.325 1.00 14.52 C ATOM 809 CD PRO A2062 4.853 -11.781 10.903 1.00 31.51 C ATOM 0 HA PRO A2062 4.360 -11.546 7.664 1.00 24.51 H new ATOM 0 HB2 PRO A2062 5.955 -13.672 8.443 1.00 52.15 H new ATOM 0 HB3 PRO A2062 6.539 -12.025 8.311 1.00 52.15 H new ATOM 0 HG2 PRO A2062 5.992 -13.607 10.747 1.00 14.52 H new ATOM 0 HG3 PRO A2062 6.953 -12.152 10.576 1.00 14.52 H new ATOM 0 HD2 PRO A2062 4.305 -12.342 11.660 1.00 31.51 H new ATOM 0 HD3 PRO A2062 5.222 -10.874 11.383 1.00 31.51 H new ATOM 817 N GLN A2063 3.883 -14.245 7.425 1.00 65.40 N ATOM 818 CA GLN A2063 3.068 -15.389 7.050 1.00 50.13 C ATOM 819 C GLN A2063 3.947 -16.626 6.856 1.00 73.21 C ATOM 820 O GLN A2063 4.043 -17.472 7.746 1.00 60.45 O ATOM 821 CB GLN A2063 2.252 -15.093 5.789 1.00 32.12 C ATOM 822 CG GLN A2063 0.762 -14.977 6.116 1.00 11.32 C ATOM 823 CD GLN A2063 -0.012 -16.183 5.582 1.00 70.31 C ATOM 824 OE1 GLN A2063 0.390 -16.843 4.638 1.00 21.31 O ATOM 825 NE2 GLN A2063 -1.143 -16.435 6.236 1.00 73.10 N ATOM 0 H GLN A2063 4.812 -14.226 7.003 1.00 65.40 H new ATOM 0 HA GLN A2063 2.365 -15.589 7.859 1.00 50.13 H new ATOM 0 HB2 GLN A2063 2.602 -14.166 5.334 1.00 32.12 H new ATOM 0 HB3 GLN A2063 2.407 -15.885 5.057 1.00 32.12 H new ATOM 0 HG2 GLN A2063 0.628 -14.903 7.195 1.00 11.32 H new ATOM 0 HG3 GLN A2063 0.361 -14.061 5.681 1.00 11.32 H new ATOM 0 HE21 GLN A2063 -1.422 -15.843 7.018 1.00 73.10 H new ATOM 0 HE22 GLN A2063 -1.731 -17.220 5.955 1.00 73.10 H new ATOM 834 N THR A2064 4.568 -16.694 5.686 1.00 13.02 N ATOM 835 CA THR A2064 5.436 -17.814 5.366 1.00 22.01 C ATOM 836 C THR A2064 6.439 -17.417 4.283 1.00 45.34 C ATOM 837 O THR A2064 6.513 -16.251 3.895 1.00 43.30 O ATOM 838 CB THR A2064 4.552 -18.999 4.971 1.00 42.44 C ATOM 839 OG1 THR A2064 3.669 -18.462 3.989 1.00 3.11 O ATOM 840 CG2 THR A2064 3.625 -19.441 6.104 1.00 21.34 C ATOM 0 H THR A2064 4.487 -15.992 4.950 1.00 13.02 H new ATOM 0 HA THR A2064 6.035 -18.110 6.227 1.00 22.01 H new ATOM 0 HB THR A2064 5.181 -19.836 4.670 1.00 42.44 H new ATOM 0 HG1 THR A2064 3.061 -19.164 3.677 1.00 3.11 H new ATOM 0 HG21 THR A2064 3.020 -20.284 5.771 1.00 21.34 H new ATOM 0 HG22 THR A2064 4.221 -19.740 6.966 1.00 21.34 H new ATOM 0 HG23 THR A2064 2.972 -18.614 6.384 1.00 21.34 H new ATOM 848 N LEU A2065 7.190 -18.406 3.821 1.00 22.43 N ATOM 849 CA LEU A2065 8.185 -18.174 2.790 1.00 3.14 C ATOM 850 C LEU A2065 7.492 -17.674 1.520 1.00 63.35 C ATOM 851 O LEU A2065 8.057 -16.876 0.773 1.00 13.20 O ATOM 852 CB LEU A2065 9.034 -19.430 2.572 1.00 70.02 C ATOM 853 CG LEU A2065 10.547 -19.217 2.536 1.00 5.11 C ATOM 854 CD1 LEU A2065 10.906 -17.952 1.753 1.00 61.22 C ATOM 855 CD2 LEU A2065 11.133 -19.201 3.949 1.00 1.13 C ATOM 0 H LEU A2065 7.128 -19.372 4.143 1.00 22.43 H new ATOM 0 HA LEU A2065 8.881 -17.395 3.102 1.00 3.14 H new ATOM 0 HB2 LEU A2065 8.806 -20.141 3.366 1.00 70.02 H new ATOM 0 HB3 LEU A2065 8.729 -19.892 1.633 1.00 70.02 H new ATOM 0 HG LEU A2065 10.997 -20.059 2.010 1.00 5.11 H new ATOM 0 HD11 LEU A2065 11.989 -17.825 1.743 1.00 61.22 H new ATOM 0 HD12 LEU A2065 10.542 -18.042 0.729 1.00 61.22 H new ATOM 0 HD13 LEU A2065 10.443 -17.087 2.228 1.00 61.22 H new ATOM 0 HD21 LEU A2065 12.211 -19.048 3.894 1.00 1.13 H new ATOM 0 HD22 LEU A2065 10.680 -18.392 4.522 1.00 1.13 H new ATOM 0 HD23 LEU A2065 10.926 -20.152 4.439 1.00 1.13 H new ATOM 867 N LYS A2066 6.277 -18.162 1.316 1.00 5.32 N ATOM 868 CA LYS A2066 5.501 -17.773 0.151 1.00 23.01 C ATOM 869 C LYS A2066 5.126 -16.295 0.262 1.00 3.05 C ATOM 870 O LYS A2066 5.146 -15.569 -0.730 1.00 75.23 O ATOM 871 CB LYS A2066 4.297 -18.701 -0.026 1.00 20.05 C ATOM 872 CG LYS A2066 4.333 -19.395 -1.388 1.00 43.12 C ATOM 873 CD LYS A2066 5.250 -20.619 -1.356 1.00 21.12 C ATOM 874 CE LYS A2066 4.600 -21.772 -0.588 1.00 43.43 C ATOM 875 NZ LYS A2066 4.380 -22.931 -1.483 1.00 53.02 N ATOM 0 H LYS A2066 5.811 -18.823 1.938 1.00 5.32 H new ATOM 0 HA LYS A2066 6.096 -17.884 -0.756 1.00 23.01 H new ATOM 0 HB2 LYS A2066 4.291 -19.449 0.767 1.00 20.05 H new ATOM 0 HB3 LYS A2066 3.375 -18.128 0.069 1.00 20.05 H new ATOM 0 HG2 LYS A2066 3.325 -19.698 -1.672 1.00 43.12 H new ATOM 0 HG3 LYS A2066 4.681 -18.695 -2.148 1.00 43.12 H new ATOM 0 HD2 LYS A2066 5.474 -20.936 -2.374 1.00 21.12 H new ATOM 0 HD3 LYS A2066 6.199 -20.355 -0.888 1.00 21.12 H new ATOM 0 HE2 LYS A2066 5.236 -22.065 0.247 1.00 43.43 H new ATOM 0 HE3 LYS A2066 3.650 -21.446 -0.165 1.00 43.43 H new ATOM 0 HZ1 LYS A2066 3.938 -23.705 -0.947 1.00 53.02 H new ATOM 0 HZ2 LYS A2066 3.755 -22.651 -2.266 1.00 53.02 H new ATOM 0 HZ3 LYS A2066 5.292 -23.252 -1.866 1.00 53.02 H new ATOM 888 N GLU A2067 4.794 -15.892 1.480 1.00 75.20 N ATOM 889 CA GLU A2067 4.414 -14.512 1.735 1.00 22.42 C ATOM 890 C GLU A2067 5.659 -13.627 1.817 1.00 64.52 C ATOM 891 O GLU A2067 5.572 -12.411 1.655 1.00 22.22 O ATOM 892 CB GLU A2067 3.576 -14.400 3.009 1.00 63.52 C ATOM 893 CG GLU A2067 2.369 -13.486 2.794 1.00 43.25 C ATOM 894 CD GLU A2067 1.105 -14.302 2.516 1.00 15.31 C ATOM 895 OE1 GLU A2067 1.007 -14.958 1.469 1.00 14.41 O ATOM 896 OE2 GLU A2067 0.205 -14.241 3.438 1.00 72.04 O ATOM 0 H GLU A2067 4.780 -16.497 2.301 1.00 75.20 H new ATOM 0 HA GLU A2067 3.799 -14.165 0.905 1.00 22.42 H new ATOM 0 HB2 GLU A2067 3.237 -15.390 3.313 1.00 63.52 H new ATOM 0 HB3 GLU A2067 4.191 -14.011 3.820 1.00 63.52 H new ATOM 0 HG2 GLU A2067 2.218 -12.864 3.676 1.00 43.25 H new ATOM 0 HG3 GLU A2067 2.562 -12.813 1.959 1.00 43.25 H new ATOM 904 N THR A2068 6.789 -14.272 2.068 1.00 61.00 N ATOM 905 CA THR A2068 8.051 -13.558 2.174 1.00 72.44 C ATOM 906 C THR A2068 8.383 -12.863 0.851 1.00 55.13 C ATOM 907 O THR A2068 8.937 -11.765 0.845 1.00 20.34 O ATOM 908 CB THR A2068 9.121 -14.554 2.623 1.00 50.23 C ATOM 909 OG1 THR A2068 8.737 -14.902 3.951 1.00 71.34 O ATOM 910 CG2 THR A2068 10.495 -13.901 2.794 1.00 44.22 C ATOM 0 H THR A2068 6.857 -15.281 2.201 1.00 61.00 H new ATOM 0 HA THR A2068 7.995 -12.763 2.917 1.00 72.44 H new ATOM 0 HB THR A2068 9.190 -15.363 1.896 1.00 50.23 H new ATOM 0 HG1 THR A2068 8.132 -15.672 3.925 1.00 71.34 H new ATOM 0 HG21 THR A2068 11.217 -14.652 3.114 1.00 44.22 H new ATOM 0 HG22 THR A2068 10.814 -13.471 1.845 1.00 44.22 H new ATOM 0 HG23 THR A2068 10.433 -13.114 3.546 1.00 44.22 H new ATOM 918 N SER A2069 8.029 -13.534 -0.236 1.00 55.52 N ATOM 919 CA SER A2069 8.283 -12.993 -1.561 1.00 42.04 C ATOM 920 C SER A2069 7.368 -11.796 -1.825 1.00 34.51 C ATOM 921 O SER A2069 7.771 -10.831 -2.469 1.00 24.41 O ATOM 922 CB SER A2069 8.084 -14.061 -2.638 1.00 20.32 C ATOM 923 OG SER A2069 9.248 -14.235 -3.441 1.00 34.51 O ATOM 0 H SER A2069 7.570 -14.445 -0.227 1.00 55.52 H new ATOM 0 HA SER A2069 9.321 -12.662 -1.601 1.00 42.04 H new ATOM 0 HB2 SER A2069 7.825 -15.008 -2.165 1.00 20.32 H new ATOM 0 HB3 SER A2069 7.244 -13.782 -3.274 1.00 20.32 H new ATOM 0 HG SER A2069 9.080 -14.926 -4.115 1.00 34.51 H new ATOM 929 N PHE A2070 6.150 -11.900 -1.311 1.00 33.04 N ATOM 930 CA PHE A2070 5.173 -10.838 -1.482 1.00 4.11 C ATOM 931 C PHE A2070 5.642 -9.547 -0.807 1.00 20.32 C ATOM 932 O PHE A2070 5.671 -8.490 -1.435 1.00 65.24 O ATOM 933 CB PHE A2070 3.879 -11.308 -0.814 1.00 34.12 C ATOM 934 CG PHE A2070 2.765 -10.261 -0.809 1.00 61.42 C ATOM 935 CD1 PHE A2070 2.723 -9.316 0.167 1.00 70.32 C ATOM 936 CD2 PHE A2070 1.815 -10.275 -1.783 1.00 32.24 C ATOM 937 CE1 PHE A2070 1.688 -8.344 0.172 1.00 42.53 C ATOM 938 CE2 PHE A2070 0.780 -9.302 -1.779 1.00 21.44 C ATOM 939 CZ PHE A2070 0.739 -8.357 -0.802 1.00 30.34 C ATOM 0 H PHE A2070 5.818 -12.703 -0.777 1.00 33.04 H new ATOM 0 HA PHE A2070 5.031 -10.631 -2.543 1.00 4.11 H new ATOM 0 HB2 PHE A2070 3.522 -12.201 -1.326 1.00 34.12 H new ATOM 0 HB3 PHE A2070 4.097 -11.596 0.214 1.00 34.12 H new ATOM 0 HD1 PHE A2070 3.478 -9.304 0.940 1.00 70.32 H new ATOM 0 HD2 PHE A2070 1.848 -11.026 -2.559 1.00 32.24 H new ATOM 0 HE1 PHE A2070 1.654 -7.595 0.949 1.00 42.53 H new ATOM 0 HE2 PHE A2070 0.026 -9.313 -2.552 1.00 21.44 H new ATOM 0 HZ PHE A2070 -0.047 -7.617 -0.800 1.00 30.34 H new ATOM 949 N ASN A2071 5.998 -9.676 0.462 1.00 23.11 N ATOM 950 CA ASN A2071 6.465 -8.533 1.227 1.00 73.31 C ATOM 951 C ASN A2071 7.743 -7.985 0.591 1.00 74.45 C ATOM 952 O ASN A2071 8.023 -6.791 0.679 1.00 70.02 O ATOM 953 CB ASN A2071 6.787 -8.932 2.670 1.00 2.10 C ATOM 954 CG ASN A2071 5.926 -8.148 3.661 1.00 71.13 C ATOM 955 OD1 ASN A2071 4.728 -7.985 3.488 1.00 52.23 O ATOM 956 ND2 ASN A2071 6.598 -7.675 4.705 1.00 54.34 N ATOM 0 H ASN A2071 5.972 -10.554 0.980 1.00 23.11 H new ATOM 0 HA ASN A2071 5.675 -7.782 1.227 1.00 73.31 H new ATOM 0 HB2 ASN A2071 6.618 -10.001 2.802 1.00 2.10 H new ATOM 0 HB3 ASN A2071 7.842 -8.749 2.875 1.00 2.10 H new ATOM 0 HD21 ASN A2071 6.112 -7.139 5.424 1.00 54.34 H new ATOM 0 HD22 ASN A2071 7.600 -7.848 4.788 1.00 54.34 H new ATOM 963 N GLN A2072 8.485 -8.885 -0.039 1.00 61.21 N ATOM 964 CA GLN A2072 9.727 -8.506 -0.691 1.00 13.33 C ATOM 965 C GLN A2072 9.440 -7.871 -2.052 1.00 23.13 C ATOM 966 O GLN A2072 10.098 -6.910 -2.444 1.00 51.44 O ATOM 967 CB GLN A2072 10.662 -9.709 -0.832 1.00 41.11 C ATOM 968 CG GLN A2072 11.437 -9.958 0.463 1.00 61.24 C ATOM 969 CD GLN A2072 12.892 -10.328 0.168 1.00 23.45 C ATOM 970 OE1 GLN A2072 13.185 -11.206 -0.626 1.00 2.23 O ATOM 971 NE2 GLN A2072 13.783 -9.615 0.852 1.00 65.22 N ATOM 0 H GLN A2072 8.250 -9.875 -0.111 1.00 61.21 H new ATOM 0 HA GLN A2072 10.231 -7.768 -0.067 1.00 13.33 H new ATOM 0 HB2 GLN A2072 10.083 -10.596 -1.089 1.00 41.11 H new ATOM 0 HB3 GLN A2072 11.361 -9.537 -1.650 1.00 41.11 H new ATOM 0 HG2 GLN A2072 11.404 -9.066 1.088 1.00 61.24 H new ATOM 0 HG3 GLN A2072 10.961 -10.760 1.027 1.00 61.24 H new ATOM 0 HE21 GLN A2072 13.469 -8.894 1.501 1.00 65.22 H new ATOM 0 HE22 GLN A2072 14.780 -9.789 0.727 1.00 65.22 H new ATOM 980 N ALA A2073 8.456 -8.436 -2.737 1.00 72.11 N ATOM 981 CA ALA A2073 8.072 -7.937 -4.046 1.00 40.23 C ATOM 982 C ALA A2073 7.679 -6.464 -3.933 1.00 74.42 C ATOM 983 O ALA A2073 7.760 -5.719 -4.909 1.00 74.33 O ATOM 984 CB ALA A2073 6.940 -8.800 -4.611 1.00 55.10 C ATOM 0 H ALA A2073 7.913 -9.235 -2.409 1.00 72.11 H new ATOM 0 HA ALA A2073 8.910 -8.002 -4.740 1.00 40.23 H new ATOM 0 HB1 ALA A2073 6.652 -8.425 -5.593 1.00 55.10 H new ATOM 0 HB2 ALA A2073 7.280 -9.832 -4.702 1.00 55.10 H new ATOM 0 HB3 ALA A2073 6.081 -8.758 -3.941 1.00 55.10 H new ATOM 990 N TYR A2074 7.265 -6.086 -2.732 1.00 13.23 N ATOM 991 CA TYR A2074 6.861 -4.714 -2.478 1.00 32.44 C ATOM 992 C TYR A2074 7.755 -4.066 -1.418 1.00 63.45 C ATOM 993 O TYR A2074 7.738 -2.847 -1.247 1.00 71.23 O ATOM 994 CB TYR A2074 5.428 -4.789 -1.941 1.00 40.42 C ATOM 995 CG TYR A2074 4.431 -5.410 -2.920 1.00 73.34 C ATOM 996 CD1 TYR A2074 4.305 -4.898 -4.196 1.00 33.01 C ATOM 997 CD2 TYR A2074 3.653 -6.481 -2.527 1.00 42.34 C ATOM 998 CE1 TYR A2074 3.364 -5.482 -5.117 1.00 15.42 C ATOM 999 CE2 TYR A2074 2.713 -7.065 -3.447 1.00 43.13 C ATOM 1000 CZ TYR A2074 2.616 -6.536 -4.697 1.00 43.14 C ATOM 1001 OH TYR A2074 1.728 -7.088 -5.567 1.00 51.13 O ATOM 0 H TYR A2074 7.201 -6.706 -1.925 1.00 13.23 H new ATOM 0 HA TYR A2074 6.938 -4.117 -3.387 1.00 32.44 H new ATOM 0 HB2 TYR A2074 5.426 -5.370 -1.019 1.00 40.42 H new ATOM 0 HB3 TYR A2074 5.093 -3.784 -1.685 1.00 40.42 H new ATOM 0 HD1 TYR A2074 4.912 -4.059 -4.504 1.00 33.01 H new ATOM 0 HD2 TYR A2074 3.750 -6.881 -1.528 1.00 42.34 H new ATOM 0 HE1 TYR A2074 3.255 -5.091 -6.118 1.00 15.42 H new ATOM 0 HE2 TYR A2074 2.099 -7.903 -3.152 1.00 43.13 H new ATOM 0 HH TYR A2074 1.441 -7.962 -5.230 1.00 51.13 H new ATOM 1011 N GLY A2075 8.516 -4.909 -0.736 1.00 53.21 N ATOM 1012 CA GLY A2075 9.415 -4.433 0.301 1.00 10.55 C ATOM 1013 C GLY A2075 10.166 -3.181 -0.156 1.00 4.22 C ATOM 1014 O GLY A2075 10.382 -2.261 0.628 1.00 53.05 O ATOM 0 H GLY A2075 8.528 -5.919 -0.881 1.00 53.21 H new ATOM 0 HA2 GLY A2075 8.848 -4.211 1.205 1.00 10.55 H new ATOM 0 HA3 GLY A2075 10.129 -5.216 0.556 1.00 10.55 H new ATOM 1018 N ARG A2076 10.548 -3.190 -1.426 1.00 72.13 N ATOM 1019 CA ARG A2076 11.270 -2.066 -1.998 1.00 75.34 C ATOM 1020 C ARG A2076 10.297 -0.956 -2.397 1.00 51.13 C ATOM 1021 O ARG A2076 10.670 0.215 -2.439 1.00 25.41 O ATOM 1022 CB ARG A2076 12.074 -2.497 -3.227 1.00 70.45 C ATOM 1023 CG ARG A2076 13.306 -1.610 -3.415 1.00 34.12 C ATOM 1024 CD ARG A2076 13.267 -0.894 -4.765 1.00 52.41 C ATOM 1025 NE ARG A2076 14.570 -1.035 -5.452 1.00 1.30 N ATOM 1026 CZ ARG A2076 14.807 -0.625 -6.717 1.00 13.14 C ATOM 1027 NH1 ARG A2076 13.830 -0.044 -7.443 1.00 52.22 N ATOM 1028 NH2 ARG A2076 16.011 -0.802 -7.230 1.00 2.13 N ATOM 0 H ARG A2076 10.371 -3.958 -2.074 1.00 72.13 H new ATOM 0 HA ARG A2076 11.958 -1.693 -1.239 1.00 75.34 H new ATOM 0 HB2 ARG A2076 12.383 -3.536 -3.117 1.00 70.45 H new ATOM 0 HB3 ARG A2076 11.444 -2.444 -4.115 1.00 70.45 H new ATOM 0 HG2 ARG A2076 13.355 -0.875 -2.611 1.00 34.12 H new ATOM 0 HG3 ARG A2076 14.209 -2.217 -3.348 1.00 34.12 H new ATOM 0 HD2 ARG A2076 12.473 -1.312 -5.384 1.00 52.41 H new ATOM 0 HD3 ARG A2076 13.036 0.161 -4.619 1.00 52.41 H new ATOM 0 HE ARG A2076 15.337 -1.469 -4.938 1.00 1.30 H new ATOM 0 HH11 ARG A2076 12.904 0.089 -7.037 1.00 52.22 H new ATOM 0 HH12 ARG A2076 14.018 0.263 -8.398 1.00 52.22 H new ATOM 0 HH21 ARG A2076 16.743 -1.242 -6.673 1.00 2.13 H new ATOM 0 HH22 ARG A2076 16.209 -0.499 -8.184 1.00 2.13 H new ATOM 1040 N ASP A2077 9.068 -1.364 -2.678 1.00 64.24 N ATOM 1041 CA ASP A2077 8.037 -0.417 -3.072 1.00 24.05 C ATOM 1042 C ASP A2077 7.474 0.265 -1.824 1.00 42.11 C ATOM 1043 O ASP A2077 7.422 1.493 -1.754 1.00 4.24 O ATOM 1044 CB ASP A2077 6.883 -1.126 -3.785 1.00 53.23 C ATOM 1045 CG ASP A2077 7.242 -1.746 -5.137 1.00 31.34 C ATOM 1046 OD1 ASP A2077 7.938 -1.131 -5.957 1.00 40.43 O ATOM 1047 OD2 ASP A2077 6.768 -2.930 -5.335 1.00 1.11 O ATOM 0 H ASP A2077 8.763 -2.336 -2.641 1.00 64.24 H new ATOM 0 HA ASP A2077 8.487 0.311 -3.748 1.00 24.05 H new ATOM 0 HB2 ASP A2077 6.500 -1.911 -3.133 1.00 53.23 H new ATOM 0 HB3 ASP A2077 6.073 -0.411 -3.933 1.00 53.23 H new ATOM 1053 N LEU A2078 7.067 -0.559 -0.871 1.00 54.45 N ATOM 1054 CA LEU A2078 6.509 -0.050 0.372 1.00 41.41 C ATOM 1055 C LEU A2078 7.524 0.882 1.037 1.00 33.31 C ATOM 1056 O LEU A2078 7.165 1.954 1.521 1.00 52.11 O ATOM 1057 CB LEU A2078 6.053 -1.203 1.267 1.00 22.10 C ATOM 1058 CG LEU A2078 4.991 -2.132 0.676 1.00 42.32 C ATOM 1059 CD1 LEU A2078 4.118 -2.737 1.776 1.00 64.23 C ATOM 1060 CD2 LEU A2078 4.157 -1.408 -0.384 1.00 10.52 C ATOM 0 H LEU A2078 7.112 -1.576 -0.933 1.00 54.45 H new ATOM 0 HA LEU A2078 5.615 0.541 0.175 1.00 41.41 H new ATOM 0 HB2 LEU A2078 6.926 -1.801 1.528 1.00 22.10 H new ATOM 0 HB3 LEU A2078 5.665 -0.784 2.195 1.00 22.10 H new ATOM 0 HG LEU A2078 5.499 -2.957 0.178 1.00 42.32 H new ATOM 0 HD11 LEU A2078 3.372 -3.393 1.328 1.00 64.23 H new ATOM 0 HD12 LEU A2078 4.742 -3.311 2.461 1.00 64.23 H new ATOM 0 HD13 LEU A2078 3.617 -1.939 2.324 1.00 64.23 H new ATOM 0 HD21 LEU A2078 3.410 -2.091 -0.788 1.00 10.52 H new ATOM 0 HD22 LEU A2078 3.658 -0.551 0.068 1.00 10.52 H new ATOM 0 HD23 LEU A2078 4.808 -1.066 -1.188 1.00 10.52 H new ATOM 1072 N MET A2079 8.773 0.437 1.039 1.00 51.24 N ATOM 1073 CA MET A2079 9.843 1.219 1.638 1.00 44.45 C ATOM 1074 C MET A2079 10.083 2.510 0.853 1.00 15.54 C ATOM 1075 O MET A2079 10.308 3.566 1.445 1.00 71.02 O ATOM 1076 CB MET A2079 11.128 0.387 1.662 1.00 55.34 C ATOM 1077 CG MET A2079 11.830 0.425 0.303 1.00 4.21 C ATOM 1078 SD MET A2079 13.397 -0.425 0.401 1.00 73.52 S ATOM 1079 CE MET A2079 14.069 0.337 1.868 1.00 10.54 C ATOM 0 H MET A2079 9.068 -0.453 0.636 1.00 51.24 H new ATOM 0 HA MET A2079 9.552 1.484 2.654 1.00 44.45 H new ATOM 0 HB2 MET A2079 11.798 0.768 2.432 1.00 55.34 H new ATOM 0 HB3 MET A2079 10.893 -0.644 1.926 1.00 55.34 H new ATOM 0 HG2 MET A2079 11.200 -0.042 -0.454 1.00 4.21 H new ATOM 0 HG3 MET A2079 11.986 1.459 -0.006 1.00 4.21 H new ATOM 0 HE1 MET A2079 15.154 0.235 1.867 1.00 10.54 H new ATOM 0 HE2 MET A2079 13.804 1.394 1.883 1.00 10.54 H new ATOM 0 HE3 MET A2079 13.660 -0.152 2.752 1.00 10.54 H new ATOM 1089 N GLU A2080 10.029 2.384 -0.464 1.00 71.41 N ATOM 1090 CA GLU A2080 10.239 3.529 -1.334 1.00 5.42 C ATOM 1091 C GLU A2080 9.087 4.526 -1.188 1.00 11.04 C ATOM 1092 O GLU A2080 9.306 5.687 -0.850 1.00 73.42 O ATOM 1093 CB GLU A2080 10.400 3.088 -2.789 1.00 24.22 C ATOM 1094 CG GLU A2080 10.696 4.285 -3.696 1.00 61.32 C ATOM 1095 CD GLU A2080 11.234 3.824 -5.053 1.00 63.54 C ATOM 1096 OE1 GLU A2080 11.789 2.722 -5.159 1.00 61.13 O ATOM 1097 OE2 GLU A2080 11.058 4.660 -6.020 1.00 71.13 O ATOM 0 H GLU A2080 9.843 1.507 -0.950 1.00 71.41 H new ATOM 0 HA GLU A2080 11.162 4.024 -1.034 1.00 5.42 H new ATOM 0 HB2 GLU A2080 11.209 2.361 -2.865 1.00 24.22 H new ATOM 0 HB3 GLU A2080 9.491 2.589 -3.124 1.00 24.22 H new ATOM 0 HG2 GLU A2080 9.788 4.870 -3.840 1.00 61.32 H new ATOM 0 HG3 GLU A2080 11.423 4.939 -3.215 1.00 61.32 H new ATOM 1105 N ALA A2081 7.885 4.033 -1.451 1.00 43.35 N ATOM 1106 CA ALA A2081 6.698 4.866 -1.352 1.00 63.33 C ATOM 1107 C ALA A2081 6.606 5.453 0.057 1.00 4.13 C ATOM 1108 O ALA A2081 6.304 6.632 0.225 1.00 35.40 O ATOM 1109 CB ALA A2081 5.463 4.042 -1.722 1.00 3.42 C ATOM 0 H ALA A2081 7.708 3.069 -1.732 1.00 43.35 H new ATOM 0 HA ALA A2081 6.756 5.699 -2.052 1.00 63.33 H new ATOM 0 HB1 ALA A2081 4.573 4.667 -1.648 1.00 3.42 H new ATOM 0 HB2 ALA A2081 5.564 3.674 -2.743 1.00 3.42 H new ATOM 0 HB3 ALA A2081 5.371 3.197 -1.039 1.00 3.42 H new ATOM 1115 N GLN A2082 6.874 4.601 1.036 1.00 14.44 N ATOM 1116 CA GLN A2082 6.827 5.018 2.428 1.00 42.15 C ATOM 1117 C GLN A2082 7.798 6.177 2.667 1.00 31.03 C ATOM 1118 O GLN A2082 7.486 7.109 3.406 1.00 0.00 O ATOM 1119 CB GLN A2082 7.130 3.847 3.363 1.00 65.25 C ATOM 1120 CG GLN A2082 7.152 4.302 4.823 1.00 54.33 C ATOM 1121 CD GLN A2082 5.944 3.757 5.587 1.00 41.55 C ATOM 1122 OE1 GLN A2082 5.547 2.613 5.437 1.00 71.31 O ATOM 1123 NE2 GLN A2082 5.384 4.637 6.413 1.00 31.44 N ATOM 0 H GLN A2082 7.125 3.623 0.893 1.00 14.44 H new ATOM 0 HA GLN A2082 5.817 5.363 2.650 1.00 42.15 H new ATOM 0 HB2 GLN A2082 6.378 3.069 3.232 1.00 65.25 H new ATOM 0 HB3 GLN A2082 8.092 3.407 3.101 1.00 65.25 H new ATOM 0 HG2 GLN A2082 8.071 3.962 5.299 1.00 54.33 H new ATOM 0 HG3 GLN A2082 7.154 5.391 4.868 1.00 54.33 H new ATOM 0 HE21 GLN A2082 5.767 5.579 6.490 1.00 31.44 H new ATOM 0 HE22 GLN A2082 4.572 4.369 6.969 1.00 31.44 H new ATOM 1132 N GLU A2083 8.953 6.080 2.027 1.00 3.13 N ATOM 1133 CA GLU A2083 9.971 7.108 2.163 1.00 5.31 C ATOM 1134 C GLU A2083 9.464 8.434 1.590 1.00 23.53 C ATOM 1135 O GLU A2083 9.745 9.499 2.139 1.00 31.32 O ATOM 1136 CB GLU A2083 11.275 6.681 1.484 1.00 60.13 C ATOM 1137 CG GLU A2083 11.720 7.717 0.451 1.00 43.43 C ATOM 1138 CD GLU A2083 12.940 7.225 -0.331 1.00 30.30 C ATOM 1139 OE1 GLU A2083 12.895 6.138 -0.926 1.00 4.01 O ATOM 1140 OE2 GLU A2083 13.959 8.013 -0.305 1.00 3.43 O ATOM 0 H GLU A2083 9.207 5.306 1.413 1.00 3.13 H new ATOM 0 HA GLU A2083 10.180 7.248 3.224 1.00 5.31 H new ATOM 0 HB2 GLU A2083 12.055 6.553 2.235 1.00 60.13 H new ATOM 0 HB3 GLU A2083 11.137 5.715 0.999 1.00 60.13 H new ATOM 0 HG2 GLU A2083 10.901 7.923 -0.238 1.00 43.43 H new ATOM 0 HG3 GLU A2083 11.959 8.655 0.952 1.00 43.43 H new ATOM 1148 N TRP A2084 8.727 8.327 0.494 1.00 34.23 N ATOM 1149 CA TRP A2084 8.179 9.504 -0.158 1.00 72.21 C ATOM 1150 C TRP A2084 7.153 10.134 0.787 1.00 32.21 C ATOM 1151 O TRP A2084 7.016 11.354 0.838 1.00 51.32 O ATOM 1152 CB TRP A2084 7.594 9.151 -1.526 1.00 24.53 C ATOM 1153 CG TRP A2084 8.645 8.815 -2.585 1.00 53.55 C ATOM 1154 CD1 TRP A2084 9.019 7.605 -3.024 1.00 62.22 C ATOM 1155 CD2 TRP A2084 9.449 9.757 -3.326 1.00 55.51 C ATOM 1156 NE1 TRP A2084 10.001 7.698 -3.989 1.00 72.32 N ATOM 1157 CE2 TRP A2084 10.271 9.049 -4.178 1.00 4.31 C ATOM 1158 CE3 TRP A2084 9.482 11.161 -3.276 1.00 52.55 C ATOM 1159 CZ2 TRP A2084 11.184 9.660 -5.046 1.00 20.45 C ATOM 1160 CZ3 TRP A2084 10.401 11.757 -4.150 1.00 54.14 C ATOM 1161 CH2 TRP A2084 11.234 11.058 -5.014 1.00 24.42 C ATOM 0 H TRP A2084 8.497 7.443 0.041 1.00 34.23 H new ATOM 0 HA TRP A2084 8.963 10.234 -0.357 1.00 72.21 H new ATOM 0 HB2 TRP A2084 6.922 8.300 -1.414 1.00 24.53 H new ATOM 0 HB3 TRP A2084 6.992 9.988 -1.879 1.00 24.53 H new ATOM 0 HD1 TRP A2084 8.604 6.674 -2.667 1.00 62.22 H new ATOM 0 HE1 TRP A2084 10.447 6.919 -4.474 1.00 72.32 H new ATOM 0 HE3 TRP A2084 8.849 11.735 -2.616 1.00 52.55 H new ATOM 0 HZ2 TRP A2084 11.816 9.083 -5.705 1.00 20.45 H new ATOM 0 HZ3 TRP A2084 10.466 12.835 -4.152 1.00 54.14 H new ATOM 0 HH2 TRP A2084 11.917 11.591 -5.658 1.00 24.42 H new ATOM 1172 N CYS A2085 6.457 9.270 1.513 1.00 3.34 N ATOM 1173 CA CYS A2085 5.448 9.725 2.453 1.00 20.40 C ATOM 1174 C CYS A2085 6.132 10.592 3.511 1.00 53.42 C ATOM 1175 O CYS A2085 5.664 11.688 3.820 1.00 71.14 O ATOM 1176 CB CYS A2085 4.687 8.554 3.080 1.00 11.53 C ATOM 1177 SG CYS A2085 3.803 9.114 4.581 1.00 23.24 S ATOM 0 H CYS A2085 6.573 8.258 1.468 1.00 3.34 H new ATOM 0 HA CYS A2085 4.700 10.318 1.927 1.00 20.40 H new ATOM 0 HB2 CYS A2085 3.977 8.144 2.361 1.00 11.53 H new ATOM 0 HB3 CYS A2085 5.381 7.753 3.334 1.00 11.53 H new ATOM 0 HG CYS A2085 2.523 9.112 4.357 1.00 23.24 H new ATOM 1183 N ARG A2086 7.230 10.071 4.038 1.00 11.13 N ATOM 1184 CA ARG A2086 7.985 10.784 5.055 1.00 73.34 C ATOM 1185 C ARG A2086 8.472 12.127 4.508 1.00 54.32 C ATOM 1186 O ARG A2086 8.476 13.127 5.224 1.00 54.43 O ATOM 1187 CB ARG A2086 9.188 9.964 5.523 1.00 33.12 C ATOM 1188 CG ARG A2086 8.755 8.853 6.482 1.00 22.14 C ATOM 1189 CD ARG A2086 9.178 7.480 5.955 1.00 24.35 C ATOM 1190 NE ARG A2086 10.601 7.229 6.281 1.00 70.23 N ATOM 1191 CZ ARG A2086 11.266 6.102 5.950 1.00 43.14 C ATOM 1192 NH1 ARG A2086 10.643 5.110 5.279 1.00 64.41 N ATOM 1193 NH2 ARG A2086 12.536 5.986 6.291 1.00 23.14 N ATOM 0 H ARG A2086 7.616 9.163 3.780 1.00 11.13 H new ATOM 0 HA ARG A2086 7.323 10.952 5.904 1.00 73.34 H new ATOM 0 HB2 ARG A2086 9.693 9.529 4.661 1.00 33.12 H new ATOM 0 HB3 ARG A2086 9.907 10.617 6.018 1.00 33.12 H new ATOM 0 HG2 ARG A2086 9.197 9.022 7.464 1.00 22.14 H new ATOM 0 HG3 ARG A2086 7.673 8.880 6.611 1.00 22.14 H new ATOM 0 HD2 ARG A2086 8.553 6.704 6.396 1.00 24.35 H new ATOM 0 HD3 ARG A2086 9.030 7.434 4.876 1.00 24.35 H new ATOM 0 HE ARG A2086 11.110 7.953 6.787 1.00 70.23 H new ATOM 0 HH11 ARG A2086 9.662 5.209 5.018 1.00 64.41 H new ATOM 0 HH12 ARG A2086 11.153 4.262 5.033 1.00 64.41 H new ATOM 0 HH21 ARG A2086 12.999 6.741 6.797 1.00 23.14 H new ATOM 0 HH22 ARG A2086 13.054 5.141 6.049 1.00 23.14 H new ATOM 1205 N LYS A2087 8.874 12.106 3.246 1.00 72.54 N ATOM 1206 CA LYS A2087 9.362 13.310 2.597 1.00 42.32 C ATOM 1207 C LYS A2087 8.261 14.371 2.605 1.00 41.21 C ATOM 1208 O LYS A2087 8.528 15.545 2.863 1.00 50.32 O ATOM 1209 CB LYS A2087 9.894 12.985 1.199 1.00 0.52 C ATOM 1210 CG LYS A2087 11.133 12.092 1.277 1.00 53.41 C ATOM 1211 CD LYS A2087 11.426 11.441 -0.076 1.00 51.42 C ATOM 1212 CE LYS A2087 12.530 12.195 -0.821 1.00 42.11 C ATOM 1213 NZ LYS A2087 12.136 13.604 -1.040 1.00 41.22 N ATOM 0 H LYS A2087 8.872 11.274 2.656 1.00 72.54 H new ATOM 0 HA LYS A2087 10.207 13.724 3.147 1.00 42.32 H new ATOM 0 HB2 LYS A2087 9.118 12.486 0.618 1.00 0.52 H new ATOM 0 HB3 LYS A2087 10.140 13.909 0.676 1.00 0.52 H new ATOM 0 HG2 LYS A2087 11.992 12.683 1.594 1.00 53.41 H new ATOM 0 HG3 LYS A2087 10.982 11.320 2.031 1.00 53.41 H new ATOM 0 HD2 LYS A2087 11.726 10.404 0.073 1.00 51.42 H new ATOM 0 HD3 LYS A2087 10.519 11.427 -0.680 1.00 51.42 H new ATOM 0 HE2 LYS A2087 13.457 12.155 -0.248 1.00 42.11 H new ATOM 0 HE3 LYS A2087 12.726 11.713 -1.779 1.00 42.11 H new ATOM 0 HZ1 LYS A2087 12.656 13.987 -1.855 1.00 41.22 H new ATOM 0 HZ2 LYS A2087 11.114 13.654 -1.226 1.00 41.22 H new ATOM 0 HZ3 LYS A2087 12.361 14.163 -0.192 1.00 41.22 H new ATOM 1226 N TYR A2088 7.049 13.924 2.318 1.00 63.32 N ATOM 1227 CA TYR A2088 5.906 14.822 2.289 1.00 24.43 C ATOM 1228 C TYR A2088 5.494 15.231 3.705 1.00 4.15 C ATOM 1229 O TYR A2088 5.297 16.414 3.977 1.00 14.13 O ATOM 1230 CB TYR A2088 4.764 14.029 1.650 1.00 3.31 C ATOM 1231 CG TYR A2088 3.369 14.500 2.068 1.00 4.34 C ATOM 1232 CD1 TYR A2088 2.794 14.010 3.224 1.00 50.33 C ATOM 1233 CD2 TYR A2088 2.687 15.413 1.289 1.00 33.32 C ATOM 1234 CE1 TYR A2088 1.481 14.454 3.617 1.00 32.04 C ATOM 1235 CE2 TYR A2088 1.374 15.855 1.684 1.00 54.31 C ATOM 1236 CZ TYR A2088 0.837 15.354 2.827 1.00 35.12 C ATOM 1237 OH TYR A2088 -0.402 15.772 3.200 1.00 71.23 O ATOM 0 H TYR A2088 6.832 12.951 2.103 1.00 63.32 H new ATOM 0 HA TYR A2088 6.146 15.731 1.737 1.00 24.43 H new ATOM 0 HB2 TYR A2088 4.850 14.098 0.566 1.00 3.31 H new ATOM 0 HB3 TYR A2088 4.875 12.977 1.912 1.00 3.31 H new ATOM 0 HD1 TYR A2088 3.328 13.295 3.833 1.00 50.33 H new ATOM 0 HD2 TYR A2088 3.137 15.795 0.385 1.00 33.32 H new ATOM 0 HE1 TYR A2088 1.019 14.080 4.519 1.00 32.04 H new ATOM 0 HE2 TYR A2088 0.829 16.569 1.085 1.00 54.31 H new ATOM 0 HH TYR A2088 -0.742 16.415 2.543 1.00 71.23 H new ATOM 1247 N MET A2089 5.380 14.232 4.565 1.00 31.12 N ATOM 1248 CA MET A2089 4.997 14.474 5.947 1.00 41.10 C ATOM 1249 C MET A2089 5.959 15.454 6.620 1.00 43.53 C ATOM 1250 O MET A2089 5.565 16.203 7.513 1.00 5.53 O ATOM 1251 CB MET A2089 4.994 13.151 6.716 1.00 45.14 C ATOM 1252 CG MET A2089 3.818 12.271 6.290 1.00 1.50 C ATOM 1253 SD MET A2089 3.141 11.427 7.709 1.00 51.01 S ATOM 1254 CE MET A2089 1.399 11.710 7.436 1.00 40.22 C ATOM 0 H MET A2089 5.546 13.253 4.333 1.00 31.12 H new ATOM 0 HA MET A2089 3.999 14.911 5.956 1.00 41.10 H new ATOM 0 HB2 MET A2089 5.931 12.622 6.540 1.00 45.14 H new ATOM 0 HB3 MET A2089 4.936 13.349 7.786 1.00 45.14 H new ATOM 0 HG2 MET A2089 3.048 12.882 5.819 1.00 1.50 H new ATOM 0 HG3 MET A2089 4.147 11.544 5.547 1.00 1.50 H new ATOM 0 HE1 MET A2089 0.998 12.321 8.245 1.00 40.22 H new ATOM 0 HE2 MET A2089 1.259 12.228 6.487 1.00 40.22 H new ATOM 0 HE3 MET A2089 0.875 10.755 7.409 1.00 40.22 H new ATOM 1264 N LYS A2090 7.204 15.419 6.164 1.00 22.34 N ATOM 1265 CA LYS A2090 8.226 16.295 6.709 1.00 74.42 C ATOM 1266 C LYS A2090 8.313 17.563 5.858 1.00 23.33 C ATOM 1267 O LYS A2090 8.165 18.671 6.371 1.00 23.42 O ATOM 1268 CB LYS A2090 9.556 15.549 6.842 1.00 73.31 C ATOM 1269 CG LYS A2090 10.336 16.033 8.067 1.00 74.45 C ATOM 1270 CD LYS A2090 11.289 17.171 7.697 1.00 62.41 C ATOM 1271 CE LYS A2090 11.363 18.210 8.817 1.00 12.21 C ATOM 1272 NZ LYS A2090 12.426 19.199 8.536 1.00 5.53 N ATOM 0 H LYS A2090 7.527 14.797 5.423 1.00 22.34 H new ATOM 0 HA LYS A2090 7.961 16.608 7.719 1.00 74.42 H new ATOM 0 HB2 LYS A2090 9.370 14.478 6.925 1.00 73.31 H new ATOM 0 HB3 LYS A2090 10.153 15.700 5.943 1.00 73.31 H new ATOM 0 HG2 LYS A2090 9.640 16.372 8.835 1.00 74.45 H new ATOM 0 HG3 LYS A2090 10.902 15.204 8.493 1.00 74.45 H new ATOM 0 HD2 LYS A2090 12.283 16.769 7.503 1.00 62.41 H new ATOM 0 HD3 LYS A2090 10.952 17.647 6.776 1.00 62.41 H new ATOM 0 HE2 LYS A2090 10.403 18.717 8.915 1.00 12.21 H new ATOM 0 HE3 LYS A2090 11.561 17.715 9.768 1.00 12.21 H new ATOM 0 HZ1 LYS A2090 12.463 19.897 9.306 1.00 5.53 H new ATOM 0 HZ2 LYS A2090 13.343 18.713 8.465 1.00 5.53 H new ATOM 0 HZ3 LYS A2090 12.221 19.684 7.639 1.00 5.53 H new ATOM 1285 N SER A2091 8.555 17.358 4.572 1.00 31.24 N ATOM 1286 CA SER A2091 8.664 18.470 3.644 1.00 12.14 C ATOM 1287 C SER A2091 7.286 19.085 3.400 1.00 61.24 C ATOM 1288 O SER A2091 7.055 20.250 3.724 1.00 20.23 O ATOM 1289 CB SER A2091 9.289 18.023 2.320 1.00 43.11 C ATOM 1290 OG SER A2091 9.912 19.105 1.631 1.00 32.32 O ATOM 0 H SER A2091 8.679 16.437 4.151 1.00 31.24 H new ATOM 0 HA SER A2091 9.317 19.222 4.087 1.00 12.14 H new ATOM 0 HB2 SER A2091 10.026 17.243 2.512 1.00 43.11 H new ATOM 0 HB3 SER A2091 8.519 17.584 1.685 1.00 43.11 H new ATOM 0 HG SER A2091 10.300 18.779 0.792 1.00 32.32 H new ATOM 1296 N GLY A2092 6.404 18.278 2.829 1.00 35.44 N ATOM 1297 CA GLY A2092 5.054 18.728 2.538 1.00 23.22 C ATOM 1298 C GLY A2092 4.907 19.099 1.061 1.00 53.01 C ATOM 1299 O GLY A2092 5.015 20.270 0.698 1.00 21.54 O ATOM 0 H GLY A2092 6.599 17.314 2.560 1.00 35.44 H new ATOM 0 HA2 GLY A2092 4.342 17.943 2.792 1.00 23.22 H new ATOM 0 HA3 GLY A2092 4.812 19.590 3.159 1.00 23.22 H new ATOM 1303 N ASN A2093 4.660 18.081 0.250 1.00 12.42 N ATOM 1304 CA ASN A2093 4.496 18.286 -1.179 1.00 1.35 C ATOM 1305 C ASN A2093 3.629 17.166 -1.754 1.00 62.54 C ATOM 1306 O ASN A2093 3.970 15.990 -1.641 1.00 53.23 O ATOM 1307 CB ASN A2093 5.847 18.254 -1.899 1.00 10.25 C ATOM 1308 CG ASN A2093 6.106 19.568 -2.636 1.00 1.50 C ATOM 1309 OD1 ASN A2093 6.554 20.551 -2.070 1.00 14.14 O ATOM 1310 ND2 ASN A2093 5.802 19.532 -3.930 1.00 2.14 N ATOM 0 H ASN A2093 4.569 17.112 0.555 1.00 12.42 H new ATOM 0 HA ASN A2093 4.030 19.260 -1.328 1.00 1.35 H new ATOM 0 HB2 ASN A2093 6.644 18.075 -1.177 1.00 10.25 H new ATOM 0 HB3 ASN A2093 5.866 17.426 -2.607 1.00 10.25 H new ATOM 0 HD21 ASN A2093 5.941 20.360 -4.510 1.00 2.14 H new ATOM 0 HD22 ASN A2093 5.430 18.677 -4.343 1.00 2.14 H new ATOM 1317 N VAL A2094 2.520 17.570 -2.359 1.00 3.45 N ATOM 1318 CA VAL A2094 1.601 16.616 -2.952 1.00 61.33 C ATOM 1319 C VAL A2094 2.341 15.787 -4.006 1.00 75.55 C ATOM 1320 O VAL A2094 1.901 14.695 -4.362 1.00 71.35 O ATOM 1321 CB VAL A2094 0.380 17.346 -3.515 1.00 70.31 C ATOM 1322 CG1 VAL A2094 -0.265 16.544 -4.647 1.00 60.51 C ATOM 1323 CG2 VAL A2094 -0.635 17.649 -2.411 1.00 63.51 C ATOM 0 H VAL A2094 2.239 18.546 -2.450 1.00 3.45 H new ATOM 0 HA VAL A2094 1.230 15.924 -2.196 1.00 61.33 H new ATOM 0 HB VAL A2094 0.719 18.296 -3.928 1.00 70.31 H new ATOM 0 HG11 VAL A2094 -1.130 17.085 -5.029 1.00 60.51 H new ATOM 0 HG12 VAL A2094 0.458 16.402 -5.450 1.00 60.51 H new ATOM 0 HG13 VAL A2094 -0.583 15.572 -4.269 1.00 60.51 H new ATOM 0 HG21 VAL A2094 -1.493 18.168 -2.838 1.00 63.51 H new ATOM 0 HG22 VAL A2094 -0.966 16.716 -1.955 1.00 63.51 H new ATOM 0 HG23 VAL A2094 -0.170 18.279 -1.653 1.00 63.51 H new ATOM 1333 N LYS A2095 3.451 16.338 -4.473 1.00 14.11 N ATOM 1334 CA LYS A2095 4.256 15.664 -5.477 1.00 71.54 C ATOM 1335 C LYS A2095 4.786 14.350 -4.901 1.00 52.25 C ATOM 1336 O LYS A2095 4.646 13.296 -5.519 1.00 20.13 O ATOM 1337 CB LYS A2095 5.351 16.594 -5.998 1.00 52.34 C ATOM 1338 CG LYS A2095 6.203 15.897 -7.061 1.00 72.11 C ATOM 1339 CD LYS A2095 5.419 15.720 -8.363 1.00 1.43 C ATOM 1340 CE LYS A2095 5.748 14.380 -9.022 1.00 50.01 C ATOM 1341 NZ LYS A2095 6.099 14.575 -10.447 1.00 2.13 N ATOM 0 H LYS A2095 3.812 17.244 -4.175 1.00 14.11 H new ATOM 0 HA LYS A2095 3.648 15.409 -6.345 1.00 71.54 H new ATOM 0 HB2 LYS A2095 4.900 17.492 -6.420 1.00 52.34 H new ATOM 0 HB3 LYS A2095 5.985 16.914 -5.171 1.00 52.34 H new ATOM 0 HG2 LYS A2095 7.103 16.481 -7.251 1.00 72.11 H new ATOM 0 HG3 LYS A2095 6.527 14.924 -6.692 1.00 72.11 H new ATOM 0 HD2 LYS A2095 4.350 15.776 -8.159 1.00 1.43 H new ATOM 0 HD3 LYS A2095 5.656 16.534 -9.048 1.00 1.43 H new ATOM 0 HE2 LYS A2095 6.578 13.905 -8.499 1.00 50.01 H new ATOM 0 HE3 LYS A2095 4.893 13.708 -8.941 1.00 50.01 H new ATOM 0 HZ1 LYS A2095 6.320 13.655 -10.879 1.00 2.13 H new ATOM 0 HZ2 LYS A2095 5.296 15.008 -10.946 1.00 2.13 H new ATOM 0 HZ3 LYS A2095 6.928 15.199 -10.518 1.00 2.13 H new ATOM 1354 N ASP A2096 5.385 14.456 -3.724 1.00 52.43 N ATOM 1355 CA ASP A2096 5.938 13.288 -3.058 1.00 72.45 C ATOM 1356 C ASP A2096 4.795 12.391 -2.581 1.00 44.14 C ATOM 1357 O ASP A2096 4.902 11.166 -2.631 1.00 71.51 O ATOM 1358 CB ASP A2096 6.764 13.693 -1.835 1.00 4.14 C ATOM 1359 CG ASP A2096 8.233 14.007 -2.123 1.00 54.33 C ATOM 1360 OD1 ASP A2096 9.102 13.849 -1.253 1.00 43.24 O ATOM 1361 OD2 ASP A2096 8.476 14.438 -3.314 1.00 11.11 O ATOM 0 H ASP A2096 5.500 15.332 -3.214 1.00 52.43 H new ATOM 0 HA ASP A2096 6.578 12.764 -3.768 1.00 72.45 H new ATOM 0 HB2 ASP A2096 6.304 14.569 -1.378 1.00 4.14 H new ATOM 0 HB3 ASP A2096 6.717 12.889 -1.101 1.00 4.14 H new ATOM 1367 N LEU A2097 3.728 13.033 -2.129 1.00 34.42 N ATOM 1368 CA LEU A2097 2.567 12.308 -1.643 1.00 71.01 C ATOM 1369 C LEU A2097 1.926 11.544 -2.803 1.00 31.23 C ATOM 1370 O LEU A2097 1.611 10.362 -2.673 1.00 64.24 O ATOM 1371 CB LEU A2097 1.604 13.256 -0.925 1.00 12.32 C ATOM 1372 CG LEU A2097 0.123 12.877 -0.981 1.00 31.31 C ATOM 1373 CD1 LEU A2097 -0.068 11.376 -0.757 1.00 15.10 C ATOM 1374 CD2 LEU A2097 -0.695 13.712 0.004 1.00 54.43 C ATOM 0 H LEU A2097 3.643 14.049 -2.089 1.00 34.42 H new ATOM 0 HA LEU A2097 2.864 11.569 -0.899 1.00 71.01 H new ATOM 0 HB2 LEU A2097 1.903 13.321 0.121 1.00 12.32 H new ATOM 0 HB3 LEU A2097 1.720 14.252 -1.352 1.00 12.32 H new ATOM 0 HG LEU A2097 -0.249 13.103 -1.980 1.00 31.31 H new ATOM 0 HD11 LEU A2097 -1.130 11.134 -0.802 1.00 15.10 H new ATOM 0 HD12 LEU A2097 0.464 10.822 -1.531 1.00 15.10 H new ATOM 0 HD13 LEU A2097 0.326 11.101 0.221 1.00 15.10 H new ATOM 0 HD21 LEU A2097 -1.744 13.422 -0.057 1.00 54.43 H new ATOM 0 HD22 LEU A2097 -0.329 13.542 1.017 1.00 54.43 H new ATOM 0 HD23 LEU A2097 -0.596 14.769 -0.245 1.00 54.43 H new ATOM 1386 N THR A2098 1.754 12.249 -3.912 1.00 75.40 N ATOM 1387 CA THR A2098 1.157 11.652 -5.094 1.00 72.24 C ATOM 1388 C THR A2098 1.989 10.459 -5.567 1.00 30.32 C ATOM 1389 O THR A2098 1.441 9.414 -5.914 1.00 64.23 O ATOM 1390 CB THR A2098 1.007 12.746 -6.152 1.00 50.32 C ATOM 1391 OG1 THR A2098 -0.054 13.562 -5.662 1.00 13.50 O ATOM 1392 CG2 THR A2098 0.478 12.208 -7.482 1.00 0.45 C ATOM 0 H THR A2098 2.018 13.229 -4.016 1.00 75.40 H new ATOM 0 HA THR A2098 0.167 11.252 -4.877 1.00 72.24 H new ATOM 0 HB THR A2098 1.972 13.227 -6.313 1.00 50.32 H new ATOM 0 HG1 THR A2098 0.226 13.997 -4.830 1.00 13.50 H new ATOM 0 HG21 THR A2098 0.391 13.026 -8.197 1.00 0.45 H new ATOM 0 HG22 THR A2098 1.167 11.458 -7.871 1.00 0.45 H new ATOM 0 HG23 THR A2098 -0.501 11.755 -7.328 1.00 0.45 H new ATOM 1400 N GLN A2099 3.300 10.654 -5.563 1.00 61.44 N ATOM 1401 CA GLN A2099 4.213 9.606 -5.988 1.00 31.22 C ATOM 1402 C GLN A2099 4.070 8.380 -5.084 1.00 61.22 C ATOM 1403 O GLN A2099 4.045 7.248 -5.567 1.00 30.42 O ATOM 1404 CB GLN A2099 5.657 10.111 -6.004 1.00 74.20 C ATOM 1405 CG GLN A2099 6.225 10.106 -7.425 1.00 14.11 C ATOM 1406 CD GLN A2099 7.675 9.618 -7.432 1.00 50.24 C ATOM 1407 OE1 GLN A2099 8.023 8.614 -6.835 1.00 32.03 O ATOM 1408 NE2 GLN A2099 8.498 10.383 -8.143 1.00 3.20 N ATOM 0 H GLN A2099 3.751 11.521 -5.272 1.00 61.44 H new ATOM 0 HA GLN A2099 3.954 9.315 -7.006 1.00 31.22 H new ATOM 0 HB2 GLN A2099 5.697 11.121 -5.596 1.00 74.20 H new ATOM 0 HB3 GLN A2099 6.273 9.483 -5.360 1.00 74.20 H new ATOM 0 HG2 GLN A2099 5.618 9.463 -8.061 1.00 14.11 H new ATOM 0 HG3 GLN A2099 6.173 11.110 -7.845 1.00 14.11 H new ATOM 0 HE21 GLN A2099 8.141 11.211 -8.619 1.00 3.20 H new ATOM 0 HE22 GLN A2099 9.487 10.141 -8.212 1.00 3.20 H new ATOM 1417 N ALA A2100 3.981 8.645 -3.790 1.00 14.12 N ATOM 1418 CA ALA A2100 3.842 7.577 -2.815 1.00 32.41 C ATOM 1419 C ALA A2100 2.600 6.747 -3.148 1.00 33.44 C ATOM 1420 O ALA A2100 2.645 5.518 -3.124 1.00 40.12 O ATOM 1421 CB ALA A2100 3.784 8.173 -1.407 1.00 32.42 C ATOM 0 H ALA A2100 4.002 9.584 -3.393 1.00 14.12 H new ATOM 0 HA ALA A2100 4.704 6.911 -2.851 1.00 32.41 H new ATOM 0 HB1 ALA A2100 3.680 7.371 -0.676 1.00 32.42 H new ATOM 0 HB2 ALA A2100 4.701 8.728 -1.209 1.00 32.42 H new ATOM 0 HB3 ALA A2100 2.930 8.846 -1.332 1.00 32.42 H new ATOM 1427 N TRP A2101 1.520 7.453 -3.449 1.00 44.31 N ATOM 1428 CA TRP A2101 0.268 6.797 -3.788 1.00 74.32 C ATOM 1429 C TRP A2101 0.465 6.054 -5.111 1.00 32.23 C ATOM 1430 O TRP A2101 -0.159 5.022 -5.346 1.00 22.43 O ATOM 1431 CB TRP A2101 -0.884 7.803 -3.831 1.00 42.50 C ATOM 1432 CG TRP A2101 -1.945 7.580 -2.753 1.00 3.02 C ATOM 1433 CD1 TRP A2101 -2.414 8.464 -1.860 1.00 65.55 C ATOM 1434 CD2 TRP A2101 -2.656 6.354 -2.486 1.00 73.01 C ATOM 1435 NE1 TRP A2101 -3.372 7.901 -1.043 1.00 22.44 N ATOM 1436 CE2 TRP A2101 -3.523 6.575 -1.435 1.00 2.11 C ATOM 1437 CE3 TRP A2101 -2.570 5.098 -3.112 1.00 64.31 C ATOM 1438 CZ2 TRP A2101 -4.370 5.586 -0.918 1.00 35.40 C ATOM 1439 CZ3 TRP A2101 -3.423 4.120 -2.584 1.00 74.15 C ATOM 1440 CH2 TRP A2101 -4.301 4.328 -1.526 1.00 12.04 C ATOM 0 H TRP A2101 1.486 8.472 -3.465 1.00 44.31 H new ATOM 0 HA TRP A2101 -0.008 6.073 -3.022 1.00 74.32 H new ATOM 0 HB2 TRP A2101 -0.478 8.809 -3.724 1.00 42.50 H new ATOM 0 HB3 TRP A2101 -1.360 7.753 -4.810 1.00 42.50 H new ATOM 0 HD1 TRP A2101 -2.083 9.489 -1.789 1.00 65.55 H new ATOM 0 HE1 TRP A2101 -3.876 8.370 -0.291 1.00 22.44 H new ATOM 0 HE3 TRP A2101 -1.899 4.902 -3.935 1.00 64.31 H new ATOM 0 HZ2 TRP A2101 -5.040 5.784 -0.094 1.00 35.40 H new ATOM 0 HZ3 TRP A2101 -3.397 3.137 -3.030 1.00 74.15 H new ATOM 0 HH2 TRP A2101 -4.927 3.521 -1.175 1.00 12.04 H new ATOM 1451 N ASP A2102 1.334 6.611 -5.941 1.00 70.35 N ATOM 1452 CA ASP A2102 1.620 6.016 -7.235 1.00 24.42 C ATOM 1453 C ASP A2102 2.298 4.661 -7.029 1.00 32.23 C ATOM 1454 O ASP A2102 1.878 3.658 -7.604 1.00 74.41 O ATOM 1455 CB ASP A2102 2.566 6.898 -8.050 1.00 24.14 C ATOM 1456 CG ASP A2102 2.180 7.078 -9.520 1.00 72.43 C ATOM 1457 OD1 ASP A2102 1.432 6.266 -10.087 1.00 34.31 O ATOM 1458 OD2 ASP A2102 2.687 8.114 -10.094 1.00 44.30 O ATOM 0 H ASP A2102 1.850 7.468 -5.742 1.00 70.35 H new ATOM 0 HA ASP A2102 0.677 5.907 -7.771 1.00 24.42 H new ATOM 0 HB2 ASP A2102 2.617 7.880 -7.581 1.00 24.14 H new ATOM 0 HB3 ASP A2102 3.568 6.470 -8.003 1.00 24.14 H new ATOM 1464 N LEU A2103 3.337 4.672 -6.206 1.00 42.04 N ATOM 1465 CA LEU A2103 4.078 3.457 -5.917 1.00 74.35 C ATOM 1466 C LEU A2103 3.122 2.408 -5.341 1.00 25.43 C ATOM 1467 O LEU A2103 3.135 1.253 -5.766 1.00 73.13 O ATOM 1468 CB LEU A2103 5.273 3.759 -5.012 1.00 2.44 C ATOM 1469 CG LEU A2103 6.284 4.772 -5.556 1.00 14.44 C ATOM 1470 CD1 LEU A2103 6.994 5.504 -4.414 1.00 44.13 C ATOM 1471 CD2 LEU A2103 7.275 4.101 -6.508 1.00 4.43 C ATOM 0 H LEU A2103 3.683 5.505 -5.730 1.00 42.04 H new ATOM 0 HA LEU A2103 4.498 3.041 -6.833 1.00 74.35 H new ATOM 0 HB2 LEU A2103 4.897 4.127 -4.057 1.00 2.44 H new ATOM 0 HB3 LEU A2103 5.797 2.825 -4.810 1.00 2.44 H new ATOM 0 HG LEU A2103 5.741 5.521 -6.132 1.00 14.44 H new ATOM 0 HD11 LEU A2103 7.707 6.218 -4.827 1.00 44.13 H new ATOM 0 HD12 LEU A2103 6.259 6.034 -3.809 1.00 44.13 H new ATOM 0 HD13 LEU A2103 7.523 4.782 -3.792 1.00 44.13 H new ATOM 0 HD21 LEU A2103 7.982 4.843 -6.880 1.00 4.43 H new ATOM 0 HD22 LEU A2103 7.817 3.318 -5.977 1.00 4.43 H new ATOM 0 HD23 LEU A2103 6.734 3.663 -7.347 1.00 4.43 H new ATOM 1483 N TYR A2104 2.317 2.848 -4.385 1.00 41.55 N ATOM 1484 CA TYR A2104 1.358 1.962 -3.749 1.00 41.44 C ATOM 1485 C TYR A2104 0.344 1.430 -4.764 1.00 65.13 C ATOM 1486 O TYR A2104 0.066 0.232 -4.800 1.00 42.40 O ATOM 1487 CB TYR A2104 0.623 2.813 -2.711 1.00 14.13 C ATOM 1488 CG TYR A2104 1.465 3.157 -1.480 1.00 45.23 C ATOM 1489 CD1 TYR A2104 2.317 2.215 -0.941 1.00 71.55 C ATOM 1490 CD2 TYR A2104 1.373 4.411 -0.912 1.00 53.22 C ATOM 1491 CE1 TYR A2104 3.108 2.538 0.217 1.00 55.32 C ATOM 1492 CE2 TYR A2104 2.165 4.736 0.247 1.00 23.11 C ATOM 1493 CZ TYR A2104 2.995 3.784 0.753 1.00 72.34 C ATOM 1494 OH TYR A2104 3.743 4.090 1.848 1.00 42.33 O ATOM 0 H TYR A2104 2.309 3.806 -4.036 1.00 41.55 H new ATOM 0 HA TYR A2104 1.864 1.104 -3.306 1.00 41.44 H new ATOM 0 HB2 TYR A2104 0.293 3.738 -3.183 1.00 14.13 H new ATOM 0 HB3 TYR A2104 -0.273 2.282 -2.389 1.00 14.13 H new ATOM 0 HD1 TYR A2104 2.390 1.235 -1.388 1.00 71.55 H new ATOM 0 HD2 TYR A2104 0.708 5.149 -1.336 1.00 53.22 H new ATOM 0 HE1 TYR A2104 3.776 1.809 0.651 1.00 55.32 H new ATOM 0 HE2 TYR A2104 2.101 5.713 0.704 1.00 23.11 H new ATOM 0 HH TYR A2104 3.561 5.013 2.121 1.00 42.33 H new ATOM 1504 N TYR A2105 -0.181 2.347 -5.563 1.00 43.43 N ATOM 1505 CA TYR A2105 -1.157 1.985 -6.577 1.00 72.42 C ATOM 1506 C TYR A2105 -0.676 0.787 -7.399 1.00 0.33 C ATOM 1507 O TYR A2105 -1.421 -0.172 -7.601 1.00 72.22 O ATOM 1508 CB TYR A2105 -1.282 3.201 -7.496 1.00 41.20 C ATOM 1509 CG TYR A2105 -2.456 3.125 -8.475 1.00 20.14 C ATOM 1510 CD1 TYR A2105 -3.288 2.024 -8.468 1.00 64.21 C ATOM 1511 CD2 TYR A2105 -2.684 4.156 -9.362 1.00 3.24 C ATOM 1512 CE1 TYR A2105 -4.394 1.952 -9.390 1.00 31.24 C ATOM 1513 CE2 TYR A2105 -3.788 4.084 -10.283 1.00 34.12 C ATOM 1514 CZ TYR A2105 -4.589 2.985 -10.252 1.00 55.05 C ATOM 1515 OH TYR A2105 -5.632 2.918 -11.120 1.00 63.31 O ATOM 0 H TYR A2105 0.051 3.340 -5.529 1.00 43.43 H new ATOM 0 HA TYR A2105 -2.105 1.711 -6.115 1.00 72.42 H new ATOM 0 HB2 TYR A2105 -1.390 4.096 -6.884 1.00 41.20 H new ATOM 0 HB3 TYR A2105 -0.357 3.312 -8.062 1.00 41.20 H new ATOM 0 HD1 TYR A2105 -3.111 1.217 -7.772 1.00 64.21 H new ATOM 0 HD2 TYR A2105 -2.034 5.018 -9.366 1.00 3.24 H new ATOM 0 HE1 TYR A2105 -5.053 1.096 -9.396 1.00 31.24 H new ATOM 0 HE2 TYR A2105 -3.976 4.885 -10.983 1.00 34.12 H new ATOM 0 HH TYR A2105 -5.649 3.726 -11.674 1.00 63.31 H new ATOM 1525 N HIS A2106 0.564 0.880 -7.853 1.00 33.05 N ATOM 1526 CA HIS A2106 1.154 -0.184 -8.649 1.00 74.22 C ATOM 1527 C HIS A2106 1.228 -1.465 -7.815 1.00 21.25 C ATOM 1528 O HIS A2106 0.899 -2.546 -8.300 1.00 43.21 O ATOM 1529 CB HIS A2106 2.514 0.243 -9.204 1.00 62.23 C ATOM 1530 CG HIS A2106 2.853 -0.380 -10.537 1.00 2.51 C ATOM 1531 ND1 HIS A2106 3.867 -1.309 -10.695 1.00 1.15 N ATOM 1532 CD2 HIS A2106 2.304 -0.196 -11.772 1.00 4.54 C ATOM 1533 CE1 HIS A2106 3.917 -1.662 -11.971 1.00 63.13 C ATOM 1534 NE2 HIS A2106 2.949 -0.970 -12.638 1.00 34.03 N ATOM 0 H HIS A2106 1.178 1.677 -7.685 1.00 33.05 H new ATOM 0 HA HIS A2106 0.524 -0.390 -9.514 1.00 74.22 H new ATOM 0 HB2 HIS A2106 2.529 1.328 -9.307 1.00 62.23 H new ATOM 0 HB3 HIS A2106 3.288 -0.020 -8.483 1.00 62.23 H new ATOM 0 HD2 HIS A2106 1.484 0.467 -12.006 1.00 4.54 H new ATOM 0 HE1 HIS A2106 4.604 -2.373 -12.407 1.00 63.13 H new ATOM 0 HE2 HIS A2106 2.753 -1.036 -13.637 1.00 34.03 H new ATOM 1543 N VAL A2107 1.666 -1.302 -6.576 1.00 14.20 N ATOM 1544 CA VAL A2107 1.788 -2.432 -5.670 1.00 11.02 C ATOM 1545 C VAL A2107 0.409 -3.054 -5.447 1.00 54.20 C ATOM 1546 O VAL A2107 0.210 -4.241 -5.695 1.00 0.41 O ATOM 1547 CB VAL A2107 2.464 -1.991 -4.370 1.00 14.05 C ATOM 1548 CG1 VAL A2107 2.099 -2.928 -3.218 1.00 14.41 C ATOM 1549 CG2 VAL A2107 3.982 -1.900 -4.545 1.00 12.14 C ATOM 0 H VAL A2107 1.941 -0.404 -6.177 1.00 14.20 H new ATOM 0 HA VAL A2107 2.424 -3.203 -6.105 1.00 11.02 H new ATOM 0 HB VAL A2107 2.096 -0.996 -4.121 1.00 14.05 H new ATOM 0 HG11 VAL A2107 2.592 -2.592 -2.306 1.00 14.41 H new ATOM 0 HG12 VAL A2107 1.019 -2.920 -3.071 1.00 14.41 H new ATOM 0 HG13 VAL A2107 2.425 -3.941 -3.455 1.00 14.41 H new ATOM 0 HG21 VAL A2107 4.438 -1.585 -3.607 1.00 12.14 H new ATOM 0 HG22 VAL A2107 4.375 -2.876 -4.829 1.00 12.14 H new ATOM 0 HG23 VAL A2107 4.216 -1.174 -5.324 1.00 12.14 H new ATOM 1559 N PHE A2108 -0.510 -2.221 -4.978 1.00 33.22 N ATOM 1560 CA PHE A2108 -1.865 -2.674 -4.717 1.00 74.22 C ATOM 1561 C PHE A2108 -2.561 -3.098 -6.012 1.00 52.04 C ATOM 1562 O PHE A2108 -3.458 -3.940 -5.992 1.00 1.41 O ATOM 1563 CB PHE A2108 -2.623 -1.491 -4.109 1.00 14.13 C ATOM 1564 CG PHE A2108 -2.370 -1.293 -2.612 1.00 3.30 C ATOM 1565 CD1 PHE A2108 -1.170 -0.819 -2.182 1.00 51.41 C ATOM 1566 CD2 PHE A2108 -3.345 -1.591 -1.713 1.00 61.10 C ATOM 1567 CE1 PHE A2108 -0.936 -0.634 -0.794 1.00 4.33 C ATOM 1568 CE2 PHE A2108 -3.109 -1.407 -0.324 1.00 51.12 C ATOM 1569 CZ PHE A2108 -1.909 -0.934 0.106 1.00 51.54 C ATOM 0 H PHE A2108 -0.342 -1.236 -4.773 1.00 33.22 H new ATOM 0 HA PHE A2108 -1.847 -3.534 -4.047 1.00 74.22 H new ATOM 0 HB2 PHE A2108 -2.341 -0.581 -4.638 1.00 14.13 H new ATOM 0 HB3 PHE A2108 -3.691 -1.635 -4.271 1.00 14.13 H new ATOM 0 HD1 PHE A2108 -0.395 -0.583 -2.896 1.00 51.41 H new ATOM 0 HD2 PHE A2108 -4.298 -1.967 -2.054 1.00 61.10 H new ATOM 0 HE1 PHE A2108 0.016 -0.255 -0.453 1.00 4.33 H new ATOM 0 HE2 PHE A2108 -3.883 -1.643 0.391 1.00 51.12 H new ATOM 0 HZ PHE A2108 -1.729 -0.797 1.162 1.00 51.54 H new ATOM 1579 N ARG A2109 -2.121 -2.495 -7.107 1.00 54.34 N ATOM 1580 CA ARG A2109 -2.691 -2.798 -8.408 1.00 21.31 C ATOM 1581 C ARG A2109 -2.213 -4.170 -8.889 1.00 41.11 C ATOM 1582 O ARG A2109 -2.898 -4.832 -9.667 1.00 50.11 O ATOM 1583 CB ARG A2109 -2.299 -1.739 -9.441 1.00 62.12 C ATOM 1584 CG ARG A2109 -2.641 -2.203 -10.858 1.00 11.40 C ATOM 1585 CD ARG A2109 -2.484 -1.060 -11.863 1.00 34.50 C ATOM 1586 NE ARG A2109 -3.805 -0.686 -12.415 1.00 4.22 N ATOM 1587 CZ ARG A2109 -4.101 0.537 -12.903 1.00 63.13 C ATOM 1588 NH1 ARG A2109 -3.173 1.517 -12.910 1.00 2.34 N ATOM 1589 NH2 ARG A2109 -5.316 0.762 -13.373 1.00 14.42 N ATOM 0 H ARG A2109 -1.376 -1.798 -7.119 1.00 54.34 H new ATOM 0 HA ARG A2109 -3.776 -2.803 -8.302 1.00 21.31 H new ATOM 0 HB2 ARG A2109 -2.818 -0.805 -9.225 1.00 62.12 H new ATOM 0 HB3 ARG A2109 -1.231 -1.534 -9.369 1.00 62.12 H new ATOM 0 HG2 ARG A2109 -1.991 -3.031 -11.140 1.00 11.40 H new ATOM 0 HG3 ARG A2109 -3.664 -2.577 -10.885 1.00 11.40 H new ATOM 0 HD2 ARG A2109 -2.026 -0.198 -11.377 1.00 34.50 H new ATOM 0 HD3 ARG A2109 -1.816 -1.363 -12.669 1.00 34.50 H new ATOM 0 HE ARG A2109 -4.537 -1.396 -12.427 1.00 4.22 H new ATOM 0 HH11 ARG A2109 -2.238 1.337 -12.544 1.00 2.34 H new ATOM 0 HH12 ARG A2109 -3.407 2.438 -13.281 1.00 2.34 H new ATOM 0 HH21 ARG A2109 -6.013 0.017 -13.363 1.00 14.42 H new ATOM 0 HH22 ARG A2109 -5.557 1.681 -13.746 1.00 14.42 H new ATOM 1601 N ARG A2110 -1.041 -4.557 -8.405 1.00 72.21 N ATOM 1602 CA ARG A2110 -0.464 -5.837 -8.775 1.00 30.43 C ATOM 1603 C ARG A2110 -1.154 -6.970 -8.013 1.00 23.14 C ATOM 1604 O ARG A2110 -1.608 -7.942 -8.616 1.00 74.23 O ATOM 1605 CB ARG A2110 1.036 -5.871 -8.479 1.00 50.10 C ATOM 1606 CG ARG A2110 1.846 -6.009 -9.769 1.00 5.45 C ATOM 1607 CD ARG A2110 2.075 -4.644 -10.421 1.00 4.55 C ATOM 1608 NE ARG A2110 3.457 -4.181 -10.156 1.00 22.35 N ATOM 1609 CZ ARG A2110 4.530 -4.539 -10.893 1.00 60.42 C ATOM 1610 NH1 ARG A2110 4.388 -5.367 -11.950 1.00 14.41 N ATOM 1611 NH2 ARG A2110 5.717 -4.067 -10.565 1.00 43.34 N ATOM 0 H ARG A2110 -0.476 -4.005 -7.759 1.00 72.21 H new ATOM 0 HA ARG A2110 -0.614 -5.971 -9.846 1.00 30.43 H new ATOM 0 HB2 ARG A2110 1.328 -4.959 -7.958 1.00 50.10 H new ATOM 0 HB3 ARG A2110 1.260 -6.705 -7.814 1.00 50.10 H new ATOM 0 HG2 ARG A2110 2.806 -6.478 -9.552 1.00 5.45 H new ATOM 0 HG3 ARG A2110 1.321 -6.665 -10.464 1.00 5.45 H new ATOM 0 HD2 ARG A2110 1.905 -4.712 -11.496 1.00 4.55 H new ATOM 0 HD3 ARG A2110 1.359 -3.921 -10.030 1.00 4.55 H new ATOM 0 HE ARG A2110 3.607 -3.552 -9.367 1.00 22.35 H new ATOM 0 HH11 ARG A2110 3.466 -5.726 -12.196 1.00 14.41 H new ATOM 0 HH12 ARG A2110 5.203 -5.633 -12.502 1.00 14.41 H new ATOM 0 HH21 ARG A2110 5.814 -3.442 -9.765 1.00 43.34 H new ATOM 0 HH22 ARG A2110 6.538 -4.327 -11.111 1.00 43.34 H new ATOM 1623 N ILE A2111 -1.210 -6.808 -6.698 1.00 23.30 N ATOM 1624 CA ILE A2111 -1.836 -7.804 -5.848 1.00 22.34 C ATOM 1625 C ILE A2111 -3.143 -8.271 -6.494 1.00 31.11 C ATOM 1626 O ILE A2111 -3.522 -9.435 -6.367 1.00 12.13 O ATOM 1627 CB ILE A2111 -2.011 -7.264 -4.428 1.00 24.02 C ATOM 1628 CG1 ILE A2111 -2.634 -5.867 -4.445 1.00 41.22 C ATOM 1629 CG2 ILE A2111 -0.685 -7.291 -3.664 1.00 42.31 C ATOM 1630 CD1 ILE A2111 -2.827 -5.334 -3.024 1.00 22.04 C ATOM 0 H ILE A2111 -0.832 -6.001 -6.202 1.00 23.30 H new ATOM 0 HA ILE A2111 -1.195 -8.681 -5.754 1.00 22.34 H new ATOM 0 HB ILE A2111 -2.702 -7.918 -3.897 1.00 24.02 H new ATOM 0 HG12 ILE A2111 -1.995 -5.187 -5.008 1.00 41.22 H new ATOM 0 HG13 ILE A2111 -3.595 -5.900 -4.958 1.00 41.22 H new ATOM 0 HG21 ILE A2111 -0.837 -6.902 -2.657 1.00 42.31 H new ATOM 0 HG22 ILE A2111 -0.320 -8.316 -3.605 1.00 42.31 H new ATOM 0 HG23 ILE A2111 0.047 -6.674 -4.185 1.00 42.31 H new ATOM 0 HD11 ILE A2111 -3.271 -4.340 -3.066 1.00 22.04 H new ATOM 0 HD12 ILE A2111 -3.486 -6.003 -2.471 1.00 22.04 H new ATOM 0 HD13 ILE A2111 -1.861 -5.279 -2.522 1.00 22.04 H new ATOM 1642 N SER A2112 -3.797 -7.340 -7.170 1.00 3.11 N ATOM 1643 CA SER A2112 -5.054 -7.640 -7.836 1.00 14.23 C ATOM 1644 C SER A2112 -4.784 -8.249 -9.212 1.00 63.41 C ATOM 1645 O SER A2112 -5.291 -9.324 -9.529 1.00 3.41 O ATOM 1646 CB SER A2112 -5.920 -6.387 -7.970 1.00 34.14 C ATOM 1647 OG SER A2112 -5.268 -5.365 -8.718 1.00 12.10 O ATOM 0 H SER A2112 -3.481 -6.376 -7.272 1.00 3.11 H new ATOM 0 HA SER A2112 -5.600 -8.361 -7.227 1.00 14.23 H new ATOM 0 HB2 SER A2112 -6.861 -6.647 -8.455 1.00 34.14 H new ATOM 0 HB3 SER A2112 -6.166 -6.009 -6.978 1.00 34.14 H new ATOM 0 HG SER A2112 -4.298 -5.501 -8.682 1.00 12.10 H new ATOM 1653 N LYS A2113 -3.988 -7.535 -9.994 1.00 43.21 N ATOM 1654 CA LYS A2113 -3.645 -7.993 -11.330 1.00 21.20 C ATOM 1655 C LYS A2113 -3.317 -9.486 -11.286 1.00 73.32 C ATOM 1656 O LYS A2113 -3.002 -10.024 -10.225 1.00 20.00 O ATOM 1657 CB LYS A2113 -2.524 -7.134 -11.919 1.00 70.30 C ATOM 1658 CG LYS A2113 -2.998 -6.395 -13.171 1.00 54.40 C ATOM 1659 CD LYS A2113 -2.665 -4.904 -13.086 1.00 73.23 C ATOM 1660 CE LYS A2113 -3.254 -4.142 -14.275 1.00 35.20 C ATOM 1661 NZ LYS A2113 -3.173 -2.682 -14.046 1.00 4.33 N ATOM 0 H LYS A2113 -3.571 -6.643 -9.728 1.00 43.21 H new ATOM 0 HA LYS A2113 -4.494 -7.874 -12.003 1.00 21.20 H new ATOM 0 HB2 LYS A2113 -2.184 -6.414 -11.175 1.00 70.30 H new ATOM 0 HB3 LYS A2113 -1.670 -7.764 -12.166 1.00 70.30 H new ATOM 0 HG2 LYS A2113 -2.526 -6.827 -14.053 1.00 54.40 H new ATOM 0 HG3 LYS A2113 -4.074 -6.525 -13.289 1.00 54.40 H new ATOM 0 HD2 LYS A2113 -3.057 -4.493 -12.156 1.00 73.23 H new ATOM 0 HD3 LYS A2113 -1.584 -4.770 -13.063 1.00 73.23 H new ATOM 0 HE2 LYS A2113 -2.715 -4.404 -15.185 1.00 35.20 H new ATOM 0 HE3 LYS A2113 -4.293 -4.436 -14.424 1.00 35.20 H new ATOM 0 HZ1 LYS A2113 -3.667 -2.182 -14.813 1.00 4.33 H new ATOM 0 HZ2 LYS A2113 -3.620 -2.448 -13.136 1.00 4.33 H new ATOM 0 HZ3 LYS A2113 -2.176 -2.388 -14.028 1.00 4.33 H new ATOM 1674 N GLN A2114 -3.404 -10.114 -12.449 1.00 64.11 N ATOM 1675 CA GLN A2114 -3.121 -11.535 -12.556 1.00 4.10 C ATOM 1676 C GLN A2114 -3.935 -12.318 -11.525 1.00 73.52 C ATOM 1677 O GLN A2114 -5.120 -12.574 -11.732 1.00 30.34 O ATOM 1678 CB GLN A2114 -1.624 -11.809 -12.395 1.00 73.34 C ATOM 1679 CG GLN A2114 -1.293 -13.261 -12.743 1.00 3.24 C ATOM 1680 CD GLN A2114 -1.606 -14.193 -11.569 1.00 43.51 C ATOM 1681 OE1 GLN A2114 -1.180 -13.982 -10.446 1.00 12.33 O ATOM 1682 NE2 GLN A2114 -2.374 -15.230 -11.891 1.00 51.43 N ATOM 0 H GLN A2114 -3.667 -9.664 -13.326 1.00 64.11 H new ATOM 0 HA GLN A2114 -3.414 -11.870 -13.551 1.00 4.10 H new ATOM 0 HB2 GLN A2114 -1.056 -11.138 -13.040 1.00 73.34 H new ATOM 0 HB3 GLN A2114 -1.320 -11.599 -11.370 1.00 73.34 H new ATOM 0 HG2 GLN A2114 -1.865 -13.568 -13.618 1.00 3.24 H new ATOM 0 HG3 GLN A2114 -0.239 -13.344 -13.007 1.00 3.24 H new ATOM 0 HE21 GLN A2114 -2.696 -15.347 -12.852 1.00 51.43 H new ATOM 0 HE22 GLN A2114 -2.641 -15.908 -11.177 1.00 51.43 H new TER 1691 GLN A2114