USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 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 151:sc= -8.04! (180deg=-6.29!) USER MOD Set 1.2: A2057 MET CE :methyl 166:sc= -1.91 (180deg=-0.132) USER MOD Set 1.3: A2058 MET CE :methyl 156:sc= -17.4! (180deg=-12.3!) USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-1.9) USER MOD Single : A2028 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-0.62) USER MOD Single : A2035 SER OG : rot -35:sc= 0.774 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -136:sc= -6.74! (180deg=-13.4!) USER MOD Single : A2055 HIS : no HD1:sc= -1.99 K(o=-2,f=0.3) USER MOD Single : A2063 GLN : amide:sc= -0.0714 K(o=-0.071,f=-1.9!) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot -128:sc= 0.844 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= 0.578 K(o=0.58,f=0) USER MOD Single : A2072 GLN : amide:sc=-0.00519 X(o=-0.0052,f=0) USER MOD Single : A2074 TYR OH : rot 150:sc= -1.66 USER MOD Single : A2079 MET CE :methyl -115:sc= 0 (180deg=-0.0725) USER MOD Single : A2082 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.043) USER MOD Single : A2085 CYS SG : rot 85:sc= 0.0262 USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -126:sc= -5.92! (180deg=-9.36!) 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= -0.718 X(o=-0.72,f=-0.94) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 83:sc= 0.398 USER MOD Single : A2099 GLN : amide:sc= -0.344 K(o=-0.34,f=-2.8!) USER MOD Single : A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A2112 SER OG : rot 48:sc= 0.892 USER MOD Single : A2113 LYS NZ :NH3+ 152:sc= -2.53! (180deg=-3.72!) USER MOD Single : A2114 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -13.624 -10.116 -15.622 1.00 42.04 N ATOM 2 CA MET A2014 -14.600 -10.241 -14.552 1.00 3.24 C ATOM 3 C MET A2014 -14.356 -9.194 -13.462 1.00 24.34 C ATOM 4 O MET A2014 -13.419 -8.403 -13.557 1.00 15.20 O ATOM 5 CB MET A2014 -14.516 -11.642 -13.944 1.00 50.12 C ATOM 6 CG MET A2014 -15.121 -12.685 -14.885 1.00 32.43 C ATOM 7 SD MET A2014 -14.088 -14.140 -14.927 1.00 65.42 S ATOM 8 CE MET A2014 -13.564 -14.098 -16.633 1.00 34.01 C ATOM 0 HA MET A2014 -15.593 -10.077 -14.971 1.00 3.24 H new ATOM 0 HB2 MET A2014 -13.475 -11.892 -13.740 1.00 50.12 H new ATOM 0 HB3 MET A2014 -15.041 -11.660 -12.989 1.00 50.12 H new ATOM 0 HG2 MET A2014 -16.124 -12.950 -14.551 1.00 32.43 H new ATOM 0 HG3 MET A2014 -15.219 -12.269 -15.888 1.00 32.43 H new ATOM 0 HE1 MET A2014 -12.906 -14.944 -16.833 1.00 34.01 H new ATOM 0 HE2 MET A2014 -14.437 -14.155 -17.283 1.00 34.01 H new ATOM 0 HE3 MET A2014 -13.028 -13.169 -16.826 1.00 34.01 H new ATOM 18 N GLU A2015 -15.214 -9.225 -12.454 1.00 1.52 N ATOM 19 CA GLU A2015 -15.103 -8.290 -11.348 1.00 35.23 C ATOM 20 C GLU A2015 -13.834 -8.570 -10.541 1.00 43.23 C ATOM 21 O GLU A2015 -13.405 -7.738 -9.742 1.00 23.11 O ATOM 22 CB GLU A2015 -16.343 -8.348 -10.454 1.00 61.10 C ATOM 23 CG GLU A2015 -17.462 -7.465 -11.011 1.00 34.42 C ATOM 24 CD GLU A2015 -18.585 -8.313 -11.610 1.00 33.13 C ATOM 25 OE1 GLU A2015 -19.337 -8.960 -10.865 1.00 21.04 O ATOM 26 OE2 GLU A2015 -18.664 -8.284 -12.897 1.00 33.22 O ATOM 0 H GLU A2015 -15.990 -9.883 -12.380 1.00 1.52 H new ATOM 0 HA GLU A2015 -15.036 -7.282 -11.757 1.00 35.23 H new ATOM 0 HB2 GLU A2015 -16.692 -9.378 -10.376 1.00 61.10 H new ATOM 0 HB3 GLU A2015 -16.085 -8.022 -9.446 1.00 61.10 H new ATOM 0 HG2 GLU A2015 -17.862 -6.835 -10.217 1.00 34.42 H new ATOM 0 HG3 GLU A2015 -17.059 -6.799 -11.774 1.00 34.42 H new ATOM 34 N LEU A2016 -13.267 -9.744 -10.779 1.00 14.41 N ATOM 35 CA LEU A2016 -12.054 -10.143 -10.085 1.00 31.40 C ATOM 36 C LEU A2016 -12.365 -10.351 -8.602 1.00 71.41 C ATOM 37 O LEU A2016 -11.974 -9.540 -7.764 1.00 34.12 O ATOM 38 CB LEU A2016 -10.932 -9.136 -10.345 1.00 53.24 C ATOM 39 CG LEU A2016 -9.684 -9.685 -11.038 1.00 11.14 C ATOM 40 CD1 LEU A2016 -8.980 -10.721 -10.160 1.00 10.43 C ATOM 41 CD2 LEU A2016 -10.025 -10.243 -12.421 1.00 62.14 C ATOM 0 H LEU A2016 -13.625 -10.431 -11.442 1.00 14.41 H new ATOM 0 HA LEU A2016 -11.690 -11.095 -10.470 1.00 31.40 H new ATOM 0 HB2 LEU A2016 -11.333 -8.324 -10.952 1.00 53.24 H new ATOM 0 HB3 LEU A2016 -10.632 -8.702 -9.391 1.00 53.24 H new ATOM 0 HG LEU A2016 -8.986 -8.861 -11.186 1.00 11.14 H new ATOM 0 HD11 LEU A2016 -8.096 -11.095 -10.676 1.00 10.43 H new ATOM 0 HD12 LEU A2016 -8.682 -10.258 -9.219 1.00 10.43 H new ATOM 0 HD13 LEU A2016 -9.660 -11.549 -9.958 1.00 10.43 H new ATOM 0 HD21 LEU A2016 -9.120 -10.627 -12.892 1.00 62.14 H new ATOM 0 HD22 LEU A2016 -10.751 -11.050 -12.319 1.00 62.14 H new ATOM 0 HD23 LEU A2016 -10.447 -9.451 -13.039 1.00 62.14 H new ATOM 53 N ILE A2017 -13.066 -11.439 -8.324 1.00 22.54 N ATOM 54 CA ILE A2017 -13.434 -11.763 -6.955 1.00 0.31 C ATOM 55 C ILE A2017 -12.263 -11.439 -6.026 1.00 22.30 C ATOM 56 O ILE A2017 -11.121 -11.802 -6.310 1.00 63.34 O ATOM 57 CB ILE A2017 -13.914 -13.213 -6.859 1.00 11.22 C ATOM 58 CG1 ILE A2017 -15.063 -13.478 -7.833 1.00 11.13 C ATOM 59 CG2 ILE A2017 -14.290 -13.571 -5.420 1.00 60.22 C ATOM 60 CD1 ILE A2017 -14.548 -14.111 -9.129 1.00 75.33 C ATOM 0 H ILE A2017 -13.390 -12.108 -9.023 1.00 22.54 H new ATOM 0 HA ILE A2017 -14.276 -11.151 -6.631 1.00 0.31 H new ATOM 0 HB ILE A2017 -13.090 -13.864 -7.150 1.00 11.22 H new ATOM 0 HG12 ILE A2017 -15.795 -14.138 -7.367 1.00 11.13 H new ATOM 0 HG13 ILE A2017 -15.576 -12.543 -8.059 1.00 11.13 H new ATOM 0 HG21 ILE A2017 -14.628 -14.607 -5.379 1.00 60.22 H new ATOM 0 HG22 ILE A2017 -13.420 -13.447 -4.775 1.00 60.22 H new ATOM 0 HG23 ILE A2017 -15.091 -12.915 -5.079 1.00 60.22 H new ATOM 0 HD11 ILE A2017 -15.385 -14.289 -9.804 1.00 75.33 H new ATOM 0 HD12 ILE A2017 -13.835 -13.438 -9.605 1.00 75.33 H new ATOM 0 HD13 ILE A2017 -14.057 -15.057 -8.902 1.00 75.33 H new ATOM 72 N ARG A2018 -12.585 -10.761 -4.935 1.00 74.23 N ATOM 73 CA ARG A2018 -11.574 -10.384 -3.962 1.00 24.13 C ATOM 74 C ARG A2018 -11.756 -11.183 -2.670 1.00 60.51 C ATOM 75 O ARG A2018 -12.577 -10.825 -1.826 1.00 55.21 O ATOM 76 CB ARG A2018 -11.645 -8.889 -3.645 1.00 2.30 C ATOM 77 CG ARG A2018 -11.275 -8.051 -4.868 1.00 41.43 C ATOM 78 CD ARG A2018 -9.755 -7.915 -5.003 1.00 64.34 C ATOM 79 NE ARG A2018 -9.391 -6.496 -5.210 1.00 71.24 N ATOM 80 CZ ARG A2018 -8.155 -5.995 -4.998 1.00 65.22 C ATOM 81 NH1 ARG A2018 -7.156 -6.793 -4.571 1.00 31.24 N ATOM 82 NH2 ARG A2018 -7.941 -4.711 -5.216 1.00 55.53 N ATOM 0 H ARG A2018 -13.532 -10.463 -4.703 1.00 74.23 H new ATOM 0 HA ARG A2018 -10.598 -10.605 -4.395 1.00 24.13 H new ATOM 0 HB2 ARG A2018 -12.651 -8.631 -3.314 1.00 2.30 H new ATOM 0 HB3 ARG A2018 -10.969 -8.656 -2.822 1.00 2.30 H new ATOM 0 HG2 ARG A2018 -11.683 -8.513 -5.767 1.00 41.43 H new ATOM 0 HG3 ARG A2018 -11.726 -7.062 -4.785 1.00 41.43 H new ATOM 0 HD2 ARG A2018 -9.266 -8.297 -4.107 1.00 64.34 H new ATOM 0 HD3 ARG A2018 -9.401 -8.516 -5.841 1.00 64.34 H new ATOM 0 HE ARG A2018 -10.118 -5.857 -5.532 1.00 71.24 H new ATOM 0 HH11 ARG A2018 -7.330 -7.784 -4.405 1.00 31.24 H new ATOM 0 HH12 ARG A2018 -6.226 -6.406 -4.414 1.00 31.24 H new ATOM 0 HH21 ARG A2018 -8.703 -4.115 -5.539 1.00 55.53 H new ATOM 0 HH22 ARG A2018 -7.014 -4.315 -5.061 1.00 55.53 H new ATOM 94 N VAL A2019 -10.979 -12.248 -2.555 1.00 62.13 N ATOM 95 CA VAL A2019 -11.046 -13.101 -1.380 1.00 2.05 C ATOM 96 C VAL A2019 -11.191 -12.230 -0.132 1.00 55.33 C ATOM 97 O VAL A2019 -10.459 -11.256 0.040 1.00 23.05 O ATOM 98 CB VAL A2019 -9.822 -14.018 -1.330 1.00 23.40 C ATOM 99 CG1 VAL A2019 -8.584 -13.311 -1.883 1.00 5.31 C ATOM 100 CG2 VAL A2019 -9.576 -14.525 0.093 1.00 41.23 C ATOM 0 H VAL A2019 -10.299 -12.541 -3.256 1.00 62.13 H new ATOM 0 HA VAL A2019 -11.921 -13.750 -1.427 1.00 2.05 H new ATOM 0 HB VAL A2019 -10.024 -14.882 -1.963 1.00 23.40 H new ATOM 0 HG11 VAL A2019 -7.729 -13.985 -1.836 1.00 5.31 H new ATOM 0 HG12 VAL A2019 -8.762 -13.023 -2.919 1.00 5.31 H new ATOM 0 HG13 VAL A2019 -8.378 -12.421 -1.289 1.00 5.31 H new ATOM 0 HG21 VAL A2019 -8.701 -15.175 0.102 1.00 41.23 H new ATOM 0 HG22 VAL A2019 -9.405 -13.677 0.757 1.00 41.23 H new ATOM 0 HG23 VAL A2019 -10.446 -15.085 0.435 1.00 41.23 H new ATOM 110 N PRO A2020 -12.167 -12.619 0.731 1.00 20.41 N ATOM 111 CA PRO A2020 -12.417 -11.885 1.960 1.00 23.42 C ATOM 112 C PRO A2020 -11.334 -12.171 3.001 1.00 72.22 C ATOM 113 O PRO A2020 -11.111 -11.370 3.906 1.00 74.32 O ATOM 114 CB PRO A2020 -13.802 -12.326 2.406 1.00 35.51 C ATOM 115 CG PRO A2020 -14.082 -13.629 1.674 1.00 24.44 C ATOM 116 CD PRO A2020 -13.053 -13.767 0.562 1.00 20.33 C ATOM 0 HA PRO A2020 -12.383 -10.805 1.819 1.00 23.42 H new ATOM 0 HB2 PRO A2020 -13.837 -12.470 3.486 1.00 35.51 H new ATOM 0 HB3 PRO A2020 -14.550 -11.572 2.160 1.00 35.51 H new ATOM 0 HG2 PRO A2020 -14.019 -14.474 2.360 1.00 24.44 H new ATOM 0 HG3 PRO A2020 -15.091 -13.627 1.263 1.00 24.44 H new ATOM 0 HD2 PRO A2020 -12.505 -14.706 0.644 1.00 20.33 H new ATOM 0 HD3 PRO A2020 -13.527 -13.760 -0.419 1.00 20.33 H new ATOM 124 N ILE A2021 -10.690 -13.316 2.837 1.00 4.43 N ATOM 125 CA ILE A2021 -9.635 -13.718 3.752 1.00 34.52 C ATOM 126 C ILE A2021 -8.316 -13.831 2.984 1.00 21.42 C ATOM 127 O ILE A2021 -7.991 -14.893 2.454 1.00 12.23 O ATOM 128 CB ILE A2021 -10.027 -14.999 4.493 1.00 2.15 C ATOM 129 CG1 ILE A2021 -10.750 -15.973 3.561 1.00 64.34 C ATOM 130 CG2 ILE A2021 -10.852 -14.680 5.741 1.00 53.33 C ATOM 131 CD1 ILE A2021 -12.257 -15.699 3.545 1.00 12.45 C ATOM 0 H ILE A2021 -10.878 -13.979 2.085 1.00 4.43 H new ATOM 0 HA ILE A2021 -9.492 -12.962 4.524 1.00 34.52 H new ATOM 0 HB ILE A2021 -9.114 -15.492 4.828 1.00 2.15 H new ATOM 0 HG12 ILE A2021 -10.349 -15.882 2.551 1.00 64.34 H new ATOM 0 HG13 ILE A2021 -10.566 -16.997 3.886 1.00 64.34 H new ATOM 0 HG21 ILE A2021 -11.117 -15.607 6.249 1.00 53.33 H new ATOM 0 HG22 ILE A2021 -10.267 -14.053 6.413 1.00 53.33 H new ATOM 0 HG23 ILE A2021 -11.761 -14.152 5.451 1.00 53.33 H new ATOM 0 HD11 ILE A2021 -12.748 -16.405 2.875 1.00 12.45 H new ATOM 0 HD12 ILE A2021 -12.659 -15.815 4.552 1.00 12.45 H new ATOM 0 HD13 ILE A2021 -12.438 -14.682 3.197 1.00 12.45 H new ATOM 143 N LEU A2022 -7.592 -12.723 2.951 1.00 0.13 N ATOM 144 CA LEU A2022 -6.316 -12.684 2.257 1.00 11.44 C ATOM 145 C LEU A2022 -5.721 -11.278 2.368 1.00 63.43 C ATOM 146 O LEU A2022 -6.456 -10.294 2.448 1.00 23.33 O ATOM 147 CB LEU A2022 -6.474 -13.172 0.816 1.00 3.23 C ATOM 148 CG LEU A2022 -5.365 -14.088 0.292 1.00 11.12 C ATOM 149 CD1 LEU A2022 -5.659 -14.542 -1.139 1.00 40.54 C ATOM 150 CD2 LEU A2022 -3.996 -13.415 0.411 1.00 14.33 C ATOM 0 H LEU A2022 -7.864 -11.845 3.393 1.00 0.13 H new ATOM 0 HA LEU A2022 -5.608 -13.368 2.725 1.00 11.44 H new ATOM 0 HB2 LEU A2022 -7.424 -13.701 0.735 1.00 3.23 H new ATOM 0 HB3 LEU A2022 -6.537 -12.301 0.163 1.00 3.23 H new ATOM 0 HG LEU A2022 -5.339 -14.983 0.914 1.00 11.12 H new ATOM 0 HD11 LEU A2022 -4.856 -15.191 -1.487 1.00 40.54 H new ATOM 0 HD12 LEU A2022 -6.602 -15.088 -1.161 1.00 40.54 H new ATOM 0 HD13 LEU A2022 -5.729 -13.671 -1.790 1.00 40.54 H new ATOM 0 HD21 LEU A2022 -3.226 -14.087 0.032 1.00 14.33 H new ATOM 0 HD22 LEU A2022 -3.992 -12.493 -0.171 1.00 14.33 H new ATOM 0 HD23 LEU A2022 -3.794 -13.185 1.457 1.00 14.33 H new ATOM 162 N TRP A2023 -4.397 -11.228 2.370 1.00 12.03 N ATOM 163 CA TRP A2023 -3.698 -9.959 2.470 1.00 12.53 C ATOM 164 C TRP A2023 -4.310 -8.997 1.451 1.00 73.53 C ATOM 165 O TRP A2023 -4.659 -7.868 1.790 1.00 51.33 O ATOM 166 CB TRP A2023 -2.190 -10.148 2.281 1.00 43.34 C ATOM 167 CG TRP A2023 -1.419 -10.353 3.587 1.00 71.40 C ATOM 168 CD1 TRP A2023 -1.905 -10.705 4.785 1.00 60.13 C ATOM 169 CD2 TRP A2023 0.004 -10.205 3.778 1.00 24.40 C ATOM 170 NE1 TRP A2023 -0.903 -10.792 5.731 1.00 42.51 N ATOM 171 CE2 TRP A2023 0.293 -10.479 5.098 1.00 5.11 C ATOM 172 CE3 TRP A2023 1.012 -9.851 2.865 1.00 23.24 C ATOM 173 CZ2 TRP A2023 1.591 -10.428 5.625 1.00 65.50 C ATOM 174 CZ3 TRP A2023 2.302 -9.803 3.406 1.00 23.23 C ATOM 175 CH2 TRP A2023 2.611 -10.077 4.734 1.00 61.15 C ATOM 0 H TRP A2023 -3.791 -12.046 2.304 1.00 12.03 H new ATOM 0 HA TRP A2023 -3.818 -9.532 3.466 1.00 12.53 H new ATOM 0 HB2 TRP A2023 -2.021 -11.008 1.632 1.00 43.34 H new ATOM 0 HB3 TRP A2023 -1.787 -9.276 1.766 1.00 43.34 H new ATOM 0 HD1 TRP A2023 -2.949 -10.897 4.985 1.00 60.13 H new ATOM 0 HE1 TRP A2023 -1.020 -11.040 6.713 1.00 42.51 H new ATOM 0 HE3 TRP A2023 0.807 -9.633 1.827 1.00 23.24 H new ATOM 0 HZ2 TRP A2023 1.793 -10.648 6.663 1.00 65.50 H new ATOM 0 HZ3 TRP A2023 3.114 -9.535 2.746 1.00 23.23 H new ATOM 0 HH2 TRP A2023 3.634 -10.019 5.076 1.00 61.15 H new ATOM 186 N HIS A2024 -4.427 -9.481 0.223 1.00 71.52 N ATOM 187 CA HIS A2024 -4.993 -8.681 -0.847 1.00 34.11 C ATOM 188 C HIS A2024 -6.287 -8.020 -0.364 1.00 72.14 C ATOM 189 O HIS A2024 -6.712 -7.006 -0.914 1.00 55.42 O ATOM 190 CB HIS A2024 -5.191 -9.521 -2.109 1.00 71.24 C ATOM 191 CG HIS A2024 -4.134 -10.578 -2.316 1.00 32.32 C ATOM 192 ND1 HIS A2024 -4.417 -11.832 -2.829 1.00 45.44 N ATOM 193 CD2 HIS A2024 -2.792 -10.555 -2.073 1.00 22.43 C ATOM 194 CE1 HIS A2024 -3.290 -12.526 -2.888 1.00 54.40 C ATOM 195 NE2 HIS A2024 -2.284 -11.733 -2.417 1.00 20.40 N ATOM 0 H HIS A2024 -4.138 -10.419 -0.054 1.00 71.52 H new ATOM 0 HA HIS A2024 -4.298 -7.886 -1.117 1.00 34.11 H new ATOM 0 HB2 HIS A2024 -6.168 -10.003 -2.063 1.00 71.24 H new ATOM 0 HB3 HIS A2024 -5.203 -8.859 -2.975 1.00 71.24 H new ATOM 0 HD2 HIS A2024 -2.237 -9.721 -1.670 1.00 22.43 H new ATOM 0 HE1 HIS A2024 -3.186 -13.540 -3.246 1.00 54.40 H new ATOM 0 HE2 HIS A2024 -1.303 -12.001 -2.342 1.00 20.40 H new ATOM 204 N GLU A2025 -6.876 -8.624 0.657 1.00 24.40 N ATOM 205 CA GLU A2025 -8.113 -8.109 1.220 1.00 14.01 C ATOM 206 C GLU A2025 -7.840 -6.834 2.019 1.00 54.12 C ATOM 207 O GLU A2025 -8.654 -5.911 2.022 1.00 62.11 O ATOM 208 CB GLU A2025 -8.802 -9.163 2.087 1.00 31.23 C ATOM 209 CG GLU A2025 -10.276 -8.816 2.306 1.00 22.03 C ATOM 210 CD GLU A2025 -10.606 -8.730 3.797 1.00 42.11 C ATOM 211 OE1 GLU A2025 -9.776 -9.107 4.637 1.00 0.24 O ATOM 212 OE2 GLU A2025 -11.770 -8.250 4.072 1.00 61.11 O ATOM 0 H GLU A2025 -6.520 -9.466 1.110 1.00 24.40 H new ATOM 0 HA GLU A2025 -8.789 -7.864 0.401 1.00 14.01 H new ATOM 0 HB2 GLU A2025 -8.722 -10.140 1.610 1.00 31.23 H new ATOM 0 HB3 GLU A2025 -8.295 -9.235 3.049 1.00 31.23 H new ATOM 0 HG2 GLU A2025 -10.504 -7.865 1.824 1.00 22.03 H new ATOM 0 HG3 GLU A2025 -10.905 -9.571 1.834 1.00 22.03 H new ATOM 220 N MET A2026 -6.691 -6.821 2.680 1.00 42.55 N ATOM 221 CA MET A2026 -6.301 -5.674 3.483 1.00 70.45 C ATOM 222 C MET A2026 -5.896 -4.496 2.593 1.00 73.22 C ATOM 223 O MET A2026 -6.106 -3.339 2.956 1.00 13.44 O ATOM 224 CB MET A2026 -5.130 -6.059 4.387 1.00 1.52 C ATOM 225 CG MET A2026 -3.795 -5.885 3.659 1.00 2.12 C ATOM 226 SD MET A2026 -3.200 -4.214 3.858 1.00 23.42 S ATOM 227 CE MET A2026 -1.442 -4.511 3.885 1.00 32.23 C ATOM 0 H MET A2026 -6.017 -7.587 2.676 1.00 42.55 H new ATOM 0 HA MET A2026 -7.154 -5.370 4.090 1.00 70.45 H new ATOM 0 HB2 MET A2026 -5.141 -5.442 5.286 1.00 1.52 H new ATOM 0 HB3 MET A2026 -5.240 -7.094 4.710 1.00 1.52 H new ATOM 0 HG2 MET A2026 -3.063 -6.589 4.053 1.00 2.12 H new ATOM 0 HG3 MET A2026 -3.917 -6.112 2.600 1.00 2.12 H new ATOM 0 HE1 MET A2026 -0.919 -3.638 3.495 1.00 32.23 H new ATOM 0 HE2 MET A2026 -1.120 -4.699 4.909 1.00 32.23 H new ATOM 0 HE3 MET A2026 -1.210 -5.379 3.267 1.00 32.23 H new ATOM 237 N TRP A2027 -5.323 -4.831 1.447 1.00 22.04 N ATOM 238 CA TRP A2027 -4.888 -3.815 0.503 1.00 15.34 C ATOM 239 C TRP A2027 -6.131 -3.195 -0.133 1.00 52.25 C ATOM 240 O TRP A2027 -6.283 -1.973 -0.147 1.00 13.13 O ATOM 241 CB TRP A2027 -3.920 -4.404 -0.526 1.00 41.24 C ATOM 242 CG TRP A2027 -2.599 -4.895 0.069 1.00 13.12 C ATOM 243 CD1 TRP A2027 -2.371 -6.030 0.745 1.00 2.43 C ATOM 244 CD2 TRP A2027 -1.325 -4.218 0.016 1.00 43.15 C ATOM 245 NE1 TRP A2027 -1.050 -6.133 1.129 1.00 32.43 N ATOM 246 CE2 TRP A2027 -0.394 -4.996 0.672 1.00 61.32 C ATOM 247 CE3 TRP A2027 -0.973 -2.987 -0.568 1.00 24.22 C ATOM 248 CZ2 TRP A2027 0.951 -4.631 0.806 1.00 0.12 C ATOM 249 CZ3 TRP A2027 0.375 -2.638 -0.425 1.00 63.01 C ATOM 250 CH2 TRP A2027 1.326 -3.411 0.232 1.00 55.33 C ATOM 0 H TRP A2027 -5.150 -5.791 1.150 1.00 22.04 H new ATOM 0 HA TRP A2027 -4.331 -3.029 1.012 1.00 15.34 H new ATOM 0 HB2 TRP A2027 -4.408 -5.235 -1.034 1.00 41.24 H new ATOM 0 HB3 TRP A2027 -3.707 -3.649 -1.283 1.00 41.24 H new ATOM 0 HD1 TRP A2027 -3.127 -6.771 0.962 1.00 2.43 H new ATOM 0 HE1 TRP A2027 -0.632 -6.902 1.652 1.00 32.43 H new ATOM 0 HE3 TRP A2027 -1.686 -2.362 -1.085 1.00 24.22 H new ATOM 0 HZ2 TRP A2027 1.661 -5.258 1.325 1.00 0.12 H new ATOM 0 HZ3 TRP A2027 0.699 -1.702 -0.855 1.00 63.01 H new ATOM 0 HH2 TRP A2027 2.349 -3.072 0.299 1.00 55.33 H new ATOM 261 N HIS A2028 -6.993 -4.063 -0.642 1.00 11.00 N ATOM 262 CA HIS A2028 -8.220 -3.613 -1.278 1.00 24.14 C ATOM 263 C HIS A2028 -8.985 -2.693 -0.324 1.00 71.52 C ATOM 264 O HIS A2028 -9.240 -1.534 -0.646 1.00 41.34 O ATOM 265 CB HIS A2028 -9.055 -4.807 -1.749 1.00 34.11 C ATOM 266 CG HIS A2028 -10.536 -4.660 -1.492 1.00 74.04 C ATOM 267 ND1 HIS A2028 -11.415 -4.167 -2.439 1.00 63.21 N ATOM 268 CD2 HIS A2028 -11.281 -4.944 -0.385 1.00 1.43 C ATOM 269 CE1 HIS A2028 -12.634 -4.161 -1.916 1.00 71.32 C ATOM 270 NE2 HIS A2028 -12.547 -4.643 -0.643 1.00 51.23 N ATOM 0 H HIS A2028 -6.866 -5.075 -0.627 1.00 11.00 H new ATOM 0 HA HIS A2028 -7.982 -3.035 -2.171 1.00 24.14 H new ATOM 0 HB2 HIS A2028 -8.895 -4.951 -2.818 1.00 34.11 H new ATOM 0 HB3 HIS A2028 -8.697 -5.707 -1.249 1.00 34.11 H new ATOM 0 HD2 HIS A2028 -10.904 -5.346 0.544 1.00 1.43 H new ATOM 0 HE1 HIS A2028 -13.536 -3.832 -2.411 1.00 71.32 H new ATOM 0 HE2 HIS A2028 -13.327 -4.754 0.004 1.00 51.23 H new ATOM 279 N GLU A2029 -9.330 -3.245 0.830 1.00 63.20 N ATOM 280 CA GLU A2029 -10.062 -2.489 1.833 1.00 21.32 C ATOM 281 C GLU A2029 -9.183 -1.374 2.401 1.00 62.23 C ATOM 282 O GLU A2029 -9.677 -0.299 2.739 1.00 4.31 O ATOM 283 CB GLU A2029 -10.573 -3.406 2.946 1.00 10.23 C ATOM 284 CG GLU A2029 -9.478 -3.677 3.979 1.00 12.03 C ATOM 285 CD GLU A2029 -9.991 -4.590 5.095 1.00 62.23 C ATOM 286 OE1 GLU A2029 -10.841 -4.172 5.896 1.00 42.54 O ATOM 287 OE2 GLU A2029 -9.474 -5.771 5.115 1.00 64.01 O ATOM 0 H GLU A2029 -9.116 -4.207 1.093 1.00 63.20 H new ATOM 0 HA GLU A2029 -10.930 -2.034 1.356 1.00 21.32 H new ATOM 0 HB2 GLU A2029 -11.433 -2.947 3.434 1.00 10.23 H new ATOM 0 HB3 GLU A2029 -10.915 -4.348 2.518 1.00 10.23 H new ATOM 0 HG2 GLU A2029 -8.620 -4.139 3.492 1.00 12.03 H new ATOM 0 HG3 GLU A2029 -9.133 -2.735 4.405 1.00 12.03 H new ATOM 295 N GLY A2030 -7.893 -1.667 2.489 1.00 44.14 N ATOM 296 CA GLY A2030 -6.940 -0.702 3.011 1.00 11.32 C ATOM 297 C GLY A2030 -6.938 0.575 2.169 1.00 41.41 C ATOM 298 O GLY A2030 -7.290 1.647 2.659 1.00 45.44 O ATOM 0 H GLY A2030 -7.486 -2.559 2.208 1.00 44.14 H new ATOM 0 HA2 GLY A2030 -7.190 -0.461 4.044 1.00 11.32 H new ATOM 0 HA3 GLY A2030 -5.941 -1.139 3.018 1.00 11.32 H new ATOM 302 N LEU A2031 -6.534 0.419 0.916 1.00 41.02 N ATOM 303 CA LEU A2031 -6.480 1.547 0.002 1.00 2.44 C ATOM 304 C LEU A2031 -7.882 2.143 -0.150 1.00 64.03 C ATOM 305 O LEU A2031 -8.030 3.343 -0.375 1.00 3.11 O ATOM 306 CB LEU A2031 -5.842 1.130 -1.325 1.00 54.21 C ATOM 307 CG LEU A2031 -4.783 2.080 -1.886 1.00 42.32 C ATOM 308 CD1 LEU A2031 -3.795 2.506 -0.799 1.00 10.13 C ATOM 309 CD2 LEU A2031 -4.073 1.460 -3.092 1.00 64.14 C ATOM 0 H LEU A2031 -6.241 -0.471 0.513 1.00 41.02 H new ATOM 0 HA LEU A2031 -5.841 2.333 0.404 1.00 2.44 H new ATOM 0 HB2 LEU A2031 -5.388 0.148 -1.195 1.00 54.21 H new ATOM 0 HB3 LEU A2031 -6.633 1.020 -2.067 1.00 54.21 H new ATOM 0 HG LEU A2031 -5.286 2.982 -2.235 1.00 42.32 H new ATOM 0 HD11 LEU A2031 -3.053 3.181 -1.226 1.00 10.13 H new ATOM 0 HD12 LEU A2031 -4.332 3.016 0.001 1.00 10.13 H new ATOM 0 HD13 LEU A2031 -3.295 1.625 -0.396 1.00 10.13 H new ATOM 0 HD21 LEU A2031 -3.325 2.156 -3.471 1.00 64.14 H new ATOM 0 HD22 LEU A2031 -3.586 0.533 -2.790 1.00 64.14 H new ATOM 0 HD23 LEU A2031 -4.802 1.249 -3.874 1.00 64.14 H new ATOM 321 N GLU A2032 -8.876 1.276 -0.021 1.00 72.11 N ATOM 322 CA GLU A2032 -10.259 1.701 -0.141 1.00 71.01 C ATOM 323 C GLU A2032 -10.550 2.846 0.831 1.00 1.54 C ATOM 324 O GLU A2032 -11.042 3.899 0.427 1.00 63.00 O ATOM 325 CB GLU A2032 -11.215 0.530 0.090 1.00 72.12 C ATOM 326 CG GLU A2032 -11.761 -0.006 -1.234 1.00 11.53 C ATOM 327 CD GLU A2032 -12.596 1.056 -1.953 1.00 74.35 C ATOM 328 OE1 GLU A2032 -13.194 1.923 -1.296 1.00 4.40 O ATOM 329 OE2 GLU A2032 -12.613 0.960 -3.237 1.00 4.54 O ATOM 0 H GLU A2032 -8.750 0.281 0.165 1.00 72.11 H new ATOM 0 HA GLU A2032 -10.419 2.063 -1.156 1.00 71.01 H new ATOM 0 HB2 GLU A2032 -10.696 -0.267 0.622 1.00 72.12 H new ATOM 0 HB3 GLU A2032 -12.041 0.851 0.724 1.00 72.12 H new ATOM 0 HG2 GLU A2032 -10.935 -0.318 -1.873 1.00 11.53 H new ATOM 0 HG3 GLU A2032 -12.372 -0.890 -1.049 1.00 11.53 H new ATOM 337 N GLU A2033 -10.232 2.603 2.094 1.00 11.13 N ATOM 338 CA GLU A2033 -10.452 3.601 3.127 1.00 14.14 C ATOM 339 C GLU A2033 -9.499 4.781 2.937 1.00 0.14 C ATOM 340 O GLU A2033 -9.925 5.934 2.932 1.00 0.01 O ATOM 341 CB GLU A2033 -10.297 2.989 4.521 1.00 21.23 C ATOM 342 CG GLU A2033 -10.248 4.079 5.594 1.00 24.52 C ATOM 343 CD GLU A2033 -11.118 3.701 6.796 1.00 72.31 C ATOM 344 OE1 GLU A2033 -12.207 3.135 6.621 1.00 62.02 O ATOM 345 OE2 GLU A2033 -10.626 4.019 7.946 1.00 52.14 O ATOM 0 H GLU A2033 -9.824 1.729 2.426 1.00 11.13 H new ATOM 0 HA GLU A2033 -11.474 3.968 3.039 1.00 14.14 H new ATOM 0 HB2 GLU A2033 -11.129 2.314 4.721 1.00 21.23 H new ATOM 0 HB3 GLU A2033 -9.386 2.392 4.561 1.00 21.23 H new ATOM 0 HG2 GLU A2033 -9.218 4.230 5.918 1.00 24.52 H new ATOM 0 HG3 GLU A2033 -10.592 5.024 5.174 1.00 24.52 H new ATOM 353 N ALA A2034 -8.223 4.451 2.784 1.00 44.43 N ATOM 354 CA ALA A2034 -7.206 5.472 2.593 1.00 12.00 C ATOM 355 C ALA A2034 -7.576 6.339 1.389 1.00 62.54 C ATOM 356 O ALA A2034 -7.553 7.566 1.473 1.00 1.12 O ATOM 357 CB ALA A2034 -5.838 4.803 2.430 1.00 54.23 C ATOM 0 H ALA A2034 -7.872 3.493 2.788 1.00 44.43 H new ATOM 0 HA ALA A2034 -7.151 6.125 3.464 1.00 12.00 H new ATOM 0 HB1 ALA A2034 -5.074 5.567 2.287 1.00 54.23 H new ATOM 0 HB2 ALA A2034 -5.608 4.223 3.324 1.00 54.23 H new ATOM 0 HB3 ALA A2034 -5.857 4.142 1.563 1.00 54.23 H new ATOM 363 N SER A2035 -7.913 5.667 0.297 1.00 62.02 N ATOM 364 CA SER A2035 -8.290 6.361 -0.922 1.00 33.03 C ATOM 365 C SER A2035 -9.465 7.302 -0.648 1.00 31.23 C ATOM 366 O SER A2035 -9.471 8.443 -1.106 1.00 71.13 O ATOM 367 CB SER A2035 -8.649 5.371 -2.030 1.00 4.55 C ATOM 368 OG SER A2035 -9.860 4.674 -1.752 1.00 34.03 O ATOM 0 H SER A2035 -7.933 4.649 0.232 1.00 62.02 H new ATOM 0 HA SER A2035 -7.436 6.948 -1.259 1.00 33.03 H new ATOM 0 HB2 SER A2035 -8.747 5.905 -2.975 1.00 4.55 H new ATOM 0 HB3 SER A2035 -7.838 4.653 -2.152 1.00 4.55 H new ATOM 0 HG SER A2035 -9.930 4.512 -0.788 1.00 34.03 H new ATOM 374 N ARG A2036 -10.431 6.786 0.099 1.00 63.21 N ATOM 375 CA ARG A2036 -11.610 7.563 0.439 1.00 42.34 C ATOM 376 C ARG A2036 -11.215 8.798 1.254 1.00 50.10 C ATOM 377 O ARG A2036 -11.834 9.852 1.131 1.00 31.21 O ATOM 378 CB ARG A2036 -12.609 6.728 1.243 1.00 40.21 C ATOM 379 CG ARG A2036 -13.926 7.483 1.432 1.00 35.03 C ATOM 380 CD ARG A2036 -14.233 7.686 2.918 1.00 11.41 C ATOM 381 NE ARG A2036 -15.687 7.544 3.159 1.00 54.42 N ATOM 382 CZ ARG A2036 -16.251 7.503 4.384 1.00 1.44 C ATOM 383 NH1 ARG A2036 -15.485 7.589 5.494 1.00 45.21 N ATOM 384 NH2 ARG A2036 -17.560 7.375 4.482 1.00 62.44 N ATOM 0 H ARG A2036 -10.420 5.839 0.478 1.00 63.21 H new ATOM 0 HA ARG A2036 -12.082 7.873 -0.493 1.00 42.34 H new ATOM 0 HB2 ARG A2036 -12.797 5.785 0.730 1.00 40.21 H new ATOM 0 HB3 ARG A2036 -12.183 6.482 2.216 1.00 40.21 H new ATOM 0 HG2 ARG A2036 -13.870 8.450 0.933 1.00 35.03 H new ATOM 0 HG3 ARG A2036 -14.738 6.929 0.962 1.00 35.03 H new ATOM 0 HD2 ARG A2036 -13.684 6.957 3.514 1.00 11.41 H new ATOM 0 HD3 ARG A2036 -13.898 8.674 3.235 1.00 11.41 H new ATOM 0 HE ARG A2036 -16.301 7.473 2.348 1.00 54.42 H new ATOM 0 HH11 ARG A2036 -14.473 7.686 5.409 1.00 45.21 H new ATOM 0 HH12 ARG A2036 -15.919 7.557 6.417 1.00 45.21 H new ATOM 0 HH21 ARG A2036 -18.130 7.309 3.639 1.00 62.44 H new ATOM 0 HH22 ARG A2036 -18.002 7.342 5.401 1.00 62.44 H new ATOM 396 N LEU A2037 -10.184 8.623 2.069 1.00 31.04 N ATOM 397 CA LEU A2037 -9.698 9.708 2.904 1.00 64.24 C ATOM 398 C LEU A2037 -9.035 10.769 2.021 1.00 43.13 C ATOM 399 O LEU A2037 -9.101 11.958 2.319 1.00 74.24 O ATOM 400 CB LEU A2037 -8.785 9.169 4.006 1.00 44.31 C ATOM 401 CG LEU A2037 -9.445 8.245 5.031 1.00 12.32 C ATOM 402 CD1 LEU A2037 -8.533 7.063 5.372 1.00 44.25 C ATOM 403 CD2 LEU A2037 -9.865 9.022 6.280 1.00 64.14 C ATOM 0 H LEU A2037 -9.672 7.746 2.168 1.00 31.04 H new ATOM 0 HA LEU A2037 -10.528 10.193 3.418 1.00 64.24 H new ATOM 0 HB2 LEU A2037 -7.962 8.630 3.537 1.00 44.31 H new ATOM 0 HB3 LEU A2037 -8.350 10.016 4.537 1.00 44.31 H new ATOM 0 HG LEU A2037 -10.352 7.835 4.586 1.00 12.32 H new ATOM 0 HD11 LEU A2037 -9.026 6.422 6.103 1.00 44.25 H new ATOM 0 HD12 LEU A2037 -8.326 6.490 4.468 1.00 44.25 H new ATOM 0 HD13 LEU A2037 -7.597 7.434 5.789 1.00 44.25 H new ATOM 0 HD21 LEU A2037 -10.331 8.341 6.992 1.00 64.14 H new ATOM 0 HD22 LEU A2037 -8.987 9.479 6.736 1.00 64.14 H new ATOM 0 HD23 LEU A2037 -10.576 9.800 6.002 1.00 64.14 H new ATOM 415 N TYR A2038 -8.414 10.296 0.950 1.00 73.04 N ATOM 416 CA TYR A2038 -7.740 11.188 0.021 1.00 32.21 C ATOM 417 C TYR A2038 -8.729 11.773 -0.992 1.00 32.23 C ATOM 418 O TYR A2038 -8.823 12.988 -1.142 1.00 52.10 O ATOM 419 CB TYR A2038 -6.715 10.330 -0.720 1.00 71.22 C ATOM 420 CG TYR A2038 -5.981 11.067 -1.842 1.00 61.23 C ATOM 421 CD1 TYR A2038 -4.835 11.783 -1.562 1.00 1.31 C ATOM 422 CD2 TYR A2038 -6.466 11.018 -3.133 1.00 11.12 C ATOM 423 CE1 TYR A2038 -4.144 12.476 -2.618 1.00 10.42 C ATOM 424 CE2 TYR A2038 -5.774 11.712 -4.189 1.00 13.33 C ATOM 425 CZ TYR A2038 -4.646 12.407 -3.878 1.00 45.03 C ATOM 426 OH TYR A2038 -3.994 13.062 -4.876 1.00 1.43 O ATOM 0 H TYR A2038 -8.363 9.307 0.705 1.00 73.04 H new ATOM 0 HA TYR A2038 -7.280 12.020 0.553 1.00 32.21 H new ATOM 0 HB2 TYR A2038 -5.982 9.958 -0.004 1.00 71.22 H new ATOM 0 HB3 TYR A2038 -7.220 9.460 -1.140 1.00 71.22 H new ATOM 0 HD1 TYR A2038 -4.457 11.823 -0.551 1.00 1.31 H new ATOM 0 HD2 TYR A2038 -7.364 10.460 -3.352 1.00 11.12 H new ATOM 0 HE1 TYR A2038 -3.245 13.039 -2.412 1.00 10.42 H new ATOM 0 HE2 TYR A2038 -6.142 11.681 -5.204 1.00 13.33 H new ATOM 0 HH TYR A2038 -4.467 12.922 -5.723 1.00 1.43 H new ATOM 436 N PHE A2039 -9.439 10.876 -1.661 1.00 14.41 N ATOM 437 CA PHE A2039 -10.416 11.286 -2.657 1.00 3.14 C ATOM 438 C PHE A2039 -11.655 11.886 -1.991 1.00 11.40 C ATOM 439 O PHE A2039 -12.124 12.950 -2.392 1.00 45.15 O ATOM 440 CB PHE A2039 -10.823 10.030 -3.427 1.00 51.01 C ATOM 441 CG PHE A2039 -9.708 9.442 -4.296 1.00 21.30 C ATOM 442 CD1 PHE A2039 -9.098 10.215 -5.233 1.00 13.13 C ATOM 443 CD2 PHE A2039 -9.328 8.146 -4.130 1.00 75.50 C ATOM 444 CE1 PHE A2039 -8.063 9.670 -6.039 1.00 52.50 C ATOM 445 CE2 PHE A2039 -8.292 7.602 -4.936 1.00 74.14 C ATOM 446 CZ PHE A2039 -7.683 8.376 -5.872 1.00 23.31 C ATOM 0 H PHE A2039 -9.358 9.867 -1.533 1.00 14.41 H new ATOM 0 HA PHE A2039 -9.986 12.043 -3.313 1.00 3.14 H new ATOM 0 HB2 PHE A2039 -11.153 9.272 -2.717 1.00 51.01 H new ATOM 0 HB3 PHE A2039 -11.677 10.266 -4.061 1.00 51.01 H new ATOM 0 HD1 PHE A2039 -9.400 11.243 -5.365 1.00 13.13 H new ATOM 0 HD2 PHE A2039 -9.813 7.531 -3.386 1.00 75.50 H new ATOM 0 HE1 PHE A2039 -7.578 10.284 -6.784 1.00 52.50 H new ATOM 0 HE2 PHE A2039 -7.989 6.574 -4.805 1.00 74.14 H new ATOM 0 HZ PHE A2039 -6.896 7.962 -6.484 1.00 23.31 H new ATOM 456 N GLY A2040 -12.150 11.180 -0.986 1.00 21.20 N ATOM 457 CA GLY A2040 -13.326 11.632 -0.263 1.00 72.02 C ATOM 458 C GLY A2040 -13.049 12.947 0.468 1.00 35.42 C ATOM 459 O GLY A2040 -13.721 13.950 0.225 1.00 3.25 O ATOM 0 H GLY A2040 -11.758 10.298 -0.655 1.00 21.20 H new ATOM 0 HA2 GLY A2040 -14.155 11.766 -0.958 1.00 72.02 H new ATOM 0 HA3 GLY A2040 -13.631 10.870 0.455 1.00 72.02 H new ATOM 463 N GLU A2041 -12.061 12.900 1.349 1.00 55.33 N ATOM 464 CA GLU A2041 -11.688 14.077 2.116 1.00 51.11 C ATOM 465 C GLU A2041 -10.253 14.495 1.785 1.00 24.13 C ATOM 466 O GLU A2041 -9.598 13.868 0.953 1.00 10.05 O ATOM 467 CB GLU A2041 -11.852 13.827 3.617 1.00 51.43 C ATOM 468 CG GLU A2041 -13.047 14.606 4.173 1.00 30.41 C ATOM 469 CD GLU A2041 -13.590 13.942 5.441 1.00 72.31 C ATOM 470 OE1 GLU A2041 -12.806 13.521 6.305 1.00 42.30 O ATOM 471 OE2 GLU A2041 -14.876 13.874 5.515 1.00 14.40 O ATOM 0 H GLU A2041 -11.508 12.067 1.549 1.00 55.33 H new ATOM 0 HA GLU A2041 -12.356 14.893 1.840 1.00 51.11 H new ATOM 0 HB2 GLU A2041 -11.991 12.761 3.799 1.00 51.43 H new ATOM 0 HB3 GLU A2041 -10.943 14.124 4.141 1.00 51.43 H new ATOM 0 HG2 GLU A2041 -12.747 15.630 4.394 1.00 30.41 H new ATOM 0 HG3 GLU A2041 -13.834 14.659 3.420 1.00 30.41 H new ATOM 479 N ARG A2042 -9.809 15.549 2.451 1.00 15.43 N ATOM 480 CA ARG A2042 -8.464 16.057 2.238 1.00 11.34 C ATOM 481 C ARG A2042 -7.587 15.768 3.458 1.00 73.12 C ATOM 482 O ARG A2042 -6.686 16.541 3.776 1.00 2.33 O ATOM 483 CB ARG A2042 -8.480 17.565 1.976 1.00 1.21 C ATOM 484 CG ARG A2042 -7.898 17.889 0.598 1.00 34.34 C ATOM 485 CD ARG A2042 -8.835 17.418 -0.517 1.00 34.02 C ATOM 486 NE ARG A2042 -9.297 18.577 -1.313 1.00 33.04 N ATOM 487 CZ ARG A2042 -10.331 18.537 -2.179 1.00 22.11 C ATOM 488 NH1 ARG A2042 -11.023 17.393 -2.367 1.00 63.41 N ATOM 489 NH2 ARG A2042 -10.657 19.633 -2.838 1.00 23.15 N ATOM 0 H ARG A2042 -10.356 16.066 3.139 1.00 15.43 H new ATOM 0 HA ARG A2042 -8.054 15.552 1.364 1.00 11.34 H new ATOM 0 HB2 ARG A2042 -9.502 17.938 2.040 1.00 1.21 H new ATOM 0 HB3 ARG A2042 -7.905 18.078 2.747 1.00 1.21 H new ATOM 0 HG2 ARG A2042 -7.735 18.963 0.511 1.00 34.34 H new ATOM 0 HG3 ARG A2042 -6.926 17.409 0.488 1.00 34.34 H new ATOM 0 HD2 ARG A2042 -8.318 16.707 -1.161 1.00 34.02 H new ATOM 0 HD3 ARG A2042 -9.691 16.897 -0.088 1.00 34.02 H new ATOM 0 HE ARG A2042 -8.803 19.462 -1.200 1.00 33.04 H new ATOM 0 HH11 ARG A2042 -10.765 16.551 -1.853 1.00 63.41 H new ATOM 0 HH12 ARG A2042 -11.803 17.371 -3.023 1.00 63.41 H new ATOM 0 HH21 ARG A2042 -10.130 20.493 -2.689 1.00 23.15 H new ATOM 0 HH22 ARG A2042 -11.436 19.620 -3.496 1.00 23.15 H new ATOM 501 N ASN A2043 -7.882 14.652 4.108 1.00 64.44 N ATOM 502 CA ASN A2043 -7.133 14.250 5.285 1.00 15.12 C ATOM 503 C ASN A2043 -6.288 13.020 4.953 1.00 5.33 C ATOM 504 O ASN A2043 -6.641 11.902 5.323 1.00 64.12 O ATOM 505 CB ASN A2043 -8.071 13.883 6.437 1.00 10.33 C ATOM 506 CG ASN A2043 -8.504 15.129 7.212 1.00 70.14 C ATOM 507 OD1 ASN A2043 -7.857 15.563 8.150 1.00 50.41 O ATOM 508 ND2 ASN A2043 -9.630 15.678 6.768 1.00 64.10 N ATOM 0 H ASN A2043 -8.631 14.013 3.841 1.00 64.44 H new ATOM 0 HA ASN A2043 -6.504 15.088 5.585 1.00 15.12 H new ATOM 0 HB2 ASN A2043 -8.950 13.371 6.046 1.00 10.33 H new ATOM 0 HB3 ASN A2043 -7.570 13.188 7.111 1.00 10.33 H new ATOM 0 HD21 ASN A2043 -10.002 16.514 7.218 1.00 64.10 H new ATOM 0 HD22 ASN A2043 -10.122 15.263 5.977 1.00 64.10 H new ATOM 515 N VAL A2044 -5.188 13.267 4.256 1.00 73.23 N ATOM 516 CA VAL A2044 -4.290 12.192 3.869 1.00 60.43 C ATOM 517 C VAL A2044 -3.901 11.386 5.110 1.00 21.14 C ATOM 518 O VAL A2044 -3.480 10.236 5.000 1.00 1.52 O ATOM 519 CB VAL A2044 -3.081 12.763 3.125 1.00 41.43 C ATOM 520 CG1 VAL A2044 -1.960 11.727 3.024 1.00 12.32 C ATOM 521 CG2 VAL A2044 -3.483 13.274 1.739 1.00 15.02 C ATOM 0 H VAL A2044 -4.899 14.196 3.949 1.00 73.23 H new ATOM 0 HA VAL A2044 -4.787 11.509 3.180 1.00 60.43 H new ATOM 0 HB VAL A2044 -2.703 13.610 3.698 1.00 41.43 H new ATOM 0 HG11 VAL A2044 -1.113 12.158 2.491 1.00 12.32 H new ATOM 0 HG12 VAL A2044 -1.646 11.432 4.025 1.00 12.32 H new ATOM 0 HG13 VAL A2044 -2.321 10.852 2.484 1.00 12.32 H new ATOM 0 HG21 VAL A2044 -2.606 13.675 1.231 1.00 15.02 H new ATOM 0 HG22 VAL A2044 -3.898 12.453 1.155 1.00 15.02 H new ATOM 0 HG23 VAL A2044 -4.232 14.059 1.844 1.00 15.02 H new ATOM 531 N LYS A2045 -4.058 12.021 6.262 1.00 64.12 N ATOM 532 CA LYS A2045 -3.729 11.378 7.522 1.00 32.44 C ATOM 533 C LYS A2045 -4.412 10.009 7.585 1.00 70.40 C ATOM 534 O LYS A2045 -3.842 9.050 8.104 1.00 42.24 O ATOM 535 CB LYS A2045 -4.076 12.292 8.698 1.00 11.14 C ATOM 536 CG LYS A2045 -5.590 12.461 8.834 1.00 3.03 C ATOM 537 CD LYS A2045 -6.133 11.622 9.992 1.00 63.35 C ATOM 538 CE LYS A2045 -6.851 12.504 11.017 1.00 33.35 C ATOM 539 NZ LYS A2045 -6.990 11.790 12.306 1.00 13.12 N ATOM 0 H LYS A2045 -4.409 12.975 6.349 1.00 64.12 H new ATOM 0 HA LYS A2045 -2.655 11.203 7.591 1.00 32.44 H new ATOM 0 HB2 LYS A2045 -3.669 11.875 9.619 1.00 11.14 H new ATOM 0 HB3 LYS A2045 -3.609 13.267 8.556 1.00 11.14 H new ATOM 0 HG2 LYS A2045 -5.829 13.512 8.998 1.00 3.03 H new ATOM 0 HG3 LYS A2045 -6.078 12.164 7.905 1.00 3.03 H new ATOM 0 HD2 LYS A2045 -6.822 10.869 9.609 1.00 63.35 H new ATOM 0 HD3 LYS A2045 -5.314 11.089 10.475 1.00 63.35 H new ATOM 0 HE2 LYS A2045 -6.293 13.429 11.165 1.00 33.35 H new ATOM 0 HE3 LYS A2045 -7.835 12.782 10.640 1.00 33.35 H new ATOM 0 HZ1 LYS A2045 -7.479 12.401 12.991 1.00 13.12 H new ATOM 0 HZ2 LYS A2045 -7.542 10.920 12.163 1.00 13.12 H new ATOM 0 HZ3 LYS A2045 -6.047 11.546 12.671 1.00 13.12 H new ATOM 552 N GLY A2046 -5.622 9.963 7.049 1.00 43.12 N ATOM 553 CA GLY A2046 -6.389 8.730 7.037 1.00 64.42 C ATOM 554 C GLY A2046 -5.589 7.592 6.397 1.00 64.32 C ATOM 555 O GLY A2046 -5.401 6.541 7.008 1.00 43.23 O ATOM 0 H GLY A2046 -6.091 10.761 6.619 1.00 43.12 H new ATOM 0 HA2 GLY A2046 -6.663 8.458 8.056 1.00 64.42 H new ATOM 0 HA3 GLY A2046 -7.318 8.881 6.487 1.00 64.42 H new ATOM 559 N MET A2047 -5.140 7.842 5.176 1.00 14.35 N ATOM 560 CA MET A2047 -4.363 6.854 4.448 1.00 21.55 C ATOM 561 C MET A2047 -3.109 6.455 5.230 1.00 62.41 C ATOM 562 O MET A2047 -2.886 5.275 5.492 1.00 25.21 O ATOM 563 CB MET A2047 -3.957 7.425 3.088 1.00 34.44 C ATOM 564 CG MET A2047 -2.892 6.549 2.421 1.00 1.11 C ATOM 565 SD MET A2047 -1.264 7.084 2.922 1.00 62.44 S ATOM 566 CE MET A2047 -1.321 8.790 2.401 1.00 61.44 C ATOM 0 H MET A2047 -5.300 8.715 4.673 1.00 14.35 H new ATOM 0 HA MET A2047 -4.979 5.965 4.310 1.00 21.55 H new ATOM 0 HB2 MET A2047 -4.833 7.494 2.443 1.00 34.44 H new ATOM 0 HB3 MET A2047 -3.573 8.437 3.214 1.00 34.44 H new ATOM 0 HG2 MET A2047 -3.042 5.505 2.697 1.00 1.11 H new ATOM 0 HG3 MET A2047 -2.986 6.609 1.337 1.00 1.11 H new ATOM 0 HE1 MET A2047 -0.386 9.050 1.905 1.00 61.44 H new ATOM 0 HE2 MET A2047 -2.151 8.931 1.709 1.00 61.44 H new ATOM 0 HE3 MET A2047 -1.461 9.432 3.271 1.00 61.44 H new ATOM 576 N PHE A2048 -2.323 7.462 5.580 1.00 71.14 N ATOM 577 CA PHE A2048 -1.098 7.233 6.325 1.00 61.20 C ATOM 578 C PHE A2048 -1.359 6.349 7.547 1.00 64.11 C ATOM 579 O PHE A2048 -0.587 5.433 7.831 1.00 72.25 O ATOM 580 CB PHE A2048 -0.597 8.600 6.796 1.00 73.12 C ATOM 581 CG PHE A2048 0.066 9.432 5.698 1.00 53.42 C ATOM 582 CD1 PHE A2048 0.907 8.838 4.808 1.00 64.42 C ATOM 583 CD2 PHE A2048 -0.184 10.766 5.610 1.00 2.14 C ATOM 584 CE1 PHE A2048 1.522 9.609 3.788 1.00 73.50 C ATOM 585 CE2 PHE A2048 0.433 11.538 4.590 1.00 65.04 C ATOM 586 CZ PHE A2048 1.273 10.944 3.700 1.00 63.33 C ATOM 0 H PHE A2048 -2.512 8.440 5.361 1.00 71.14 H new ATOM 0 HA PHE A2048 -0.367 6.729 5.693 1.00 61.20 H new ATOM 0 HB2 PHE A2048 -1.436 9.161 7.206 1.00 73.12 H new ATOM 0 HB3 PHE A2048 0.116 8.454 7.608 1.00 73.12 H new ATOM 0 HD1 PHE A2048 1.106 7.779 4.878 1.00 64.42 H new ATOM 0 HD2 PHE A2048 -0.852 11.238 6.316 1.00 2.14 H new ATOM 0 HE1 PHE A2048 2.188 9.136 3.081 1.00 73.50 H new ATOM 0 HE2 PHE A2048 0.235 12.597 4.521 1.00 65.04 H new ATOM 0 HZ PHE A2048 1.742 11.531 2.924 1.00 63.33 H new ATOM 596 N GLU A2049 -2.446 6.655 8.239 1.00 63.02 N ATOM 597 CA GLU A2049 -2.819 5.901 9.422 1.00 11.12 C ATOM 598 C GLU A2049 -3.424 4.554 9.025 1.00 35.42 C ATOM 599 O GLU A2049 -3.547 3.655 9.858 1.00 4.32 O ATOM 600 CB GLU A2049 -3.784 6.699 10.302 1.00 61.12 C ATOM 601 CG GLU A2049 -3.319 8.149 10.451 1.00 52.01 C ATOM 602 CD GLU A2049 -2.748 8.401 11.849 1.00 45.33 C ATOM 603 OE1 GLU A2049 -1.537 8.233 12.062 1.00 11.23 O ATOM 604 OE2 GLU A2049 -3.609 8.783 12.729 1.00 52.03 O ATOM 0 H GLU A2049 -3.081 7.417 8.002 1.00 63.02 H new ATOM 0 HA GLU A2049 -1.918 5.714 10.007 1.00 11.12 H new ATOM 0 HB2 GLU A2049 -4.783 6.677 9.866 1.00 61.12 H new ATOM 0 HB3 GLU A2049 -3.855 6.233 11.285 1.00 61.12 H new ATOM 0 HG2 GLU A2049 -2.561 8.371 9.699 1.00 52.01 H new ATOM 0 HG3 GLU A2049 -4.156 8.824 10.269 1.00 52.01 H new ATOM 612 N VAL A2050 -3.788 4.456 7.756 1.00 34.31 N ATOM 613 CA VAL A2050 -4.378 3.234 7.238 1.00 63.41 C ATOM 614 C VAL A2050 -3.265 2.274 6.813 1.00 23.02 C ATOM 615 O VAL A2050 -3.317 1.083 7.117 1.00 32.42 O ATOM 616 CB VAL A2050 -5.350 3.562 6.103 1.00 64.42 C ATOM 617 CG1 VAL A2050 -5.619 2.327 5.239 1.00 43.51 C ATOM 618 CG2 VAL A2050 -6.655 4.143 6.649 1.00 72.32 C ATOM 0 H VAL A2050 -3.686 5.204 7.070 1.00 34.31 H new ATOM 0 HA VAL A2050 -4.960 2.734 8.012 1.00 63.41 H new ATOM 0 HB VAL A2050 -4.885 4.319 5.472 1.00 64.42 H new ATOM 0 HG11 VAL A2050 -6.313 2.586 4.439 1.00 43.51 H new ATOM 0 HG12 VAL A2050 -4.683 1.974 4.807 1.00 43.51 H new ATOM 0 HG13 VAL A2050 -6.053 1.540 5.855 1.00 43.51 H new ATOM 0 HG21 VAL A2050 -7.328 4.367 5.821 1.00 72.32 H new ATOM 0 HG22 VAL A2050 -7.126 3.419 7.313 1.00 72.32 H new ATOM 0 HG23 VAL A2050 -6.443 5.058 7.202 1.00 72.32 H new ATOM 628 N LEU A2051 -2.283 2.829 6.117 1.00 60.31 N ATOM 629 CA LEU A2051 -1.158 2.036 5.647 1.00 54.35 C ATOM 630 C LEU A2051 -0.203 1.776 6.814 1.00 13.54 C ATOM 631 O LEU A2051 0.310 0.668 6.962 1.00 33.50 O ATOM 632 CB LEU A2051 -0.495 2.712 4.445 1.00 0.03 C ATOM 633 CG LEU A2051 -1.389 3.632 3.613 1.00 43.14 C ATOM 634 CD1 LEU A2051 -0.789 3.873 2.227 1.00 43.25 C ATOM 635 CD2 LEU A2051 -2.815 3.084 3.534 1.00 25.11 C ATOM 0 H LEU A2051 -2.243 3.817 5.867 1.00 60.31 H new ATOM 0 HA LEU A2051 -1.496 1.063 5.290 1.00 54.35 H new ATOM 0 HB2 LEU A2051 0.355 3.292 4.804 1.00 0.03 H new ATOM 0 HB3 LEU A2051 -0.098 1.936 3.791 1.00 0.03 H new ATOM 0 HG LEU A2051 -1.443 4.600 4.112 1.00 43.14 H new ATOM 0 HD11 LEU A2051 -1.445 4.530 1.656 1.00 43.25 H new ATOM 0 HD12 LEU A2051 0.191 4.339 2.331 1.00 43.25 H new ATOM 0 HD13 LEU A2051 -0.685 2.922 1.705 1.00 43.25 H new ATOM 0 HD21 LEU A2051 -3.431 3.757 2.937 1.00 25.11 H new ATOM 0 HD22 LEU A2051 -2.801 2.098 3.070 1.00 25.11 H new ATOM 0 HD23 LEU A2051 -3.231 3.007 4.538 1.00 25.11 H new ATOM 647 N GLU A2052 0.008 2.814 7.609 1.00 41.40 N ATOM 648 CA GLU A2052 0.894 2.712 8.755 1.00 62.32 C ATOM 649 C GLU A2052 0.726 1.351 9.434 1.00 13.42 C ATOM 650 O GLU A2052 1.700 0.621 9.617 1.00 33.11 O ATOM 651 CB GLU A2052 0.645 3.852 9.745 1.00 74.45 C ATOM 652 CG GLU A2052 1.757 4.899 9.665 1.00 34.03 C ATOM 653 CD GLU A2052 2.996 4.442 10.438 1.00 54.14 C ATOM 654 OE1 GLU A2052 3.161 3.240 10.690 1.00 12.23 O ATOM 655 OE2 GLU A2052 3.804 5.387 10.781 1.00 45.22 O ATOM 0 H GLU A2052 -0.420 3.731 7.482 1.00 41.40 H new ATOM 0 HA GLU A2052 1.922 2.798 8.404 1.00 62.32 H new ATOM 0 HB2 GLU A2052 -0.316 4.320 9.532 1.00 74.45 H new ATOM 0 HB3 GLU A2052 0.588 3.453 10.758 1.00 74.45 H new ATOM 0 HG2 GLU A2052 2.020 5.077 8.622 1.00 34.03 H new ATOM 0 HG3 GLU A2052 1.400 5.846 10.070 1.00 34.03 H new ATOM 663 N PRO A2053 -0.547 1.041 9.797 1.00 55.05 N ATOM 664 CA PRO A2053 -0.854 -0.219 10.452 1.00 14.03 C ATOM 665 C PRO A2053 -0.820 -1.377 9.453 1.00 63.41 C ATOM 666 O PRO A2053 -0.160 -2.388 9.690 1.00 41.23 O ATOM 667 CB PRO A2053 -2.223 -0.014 11.078 1.00 30.12 C ATOM 668 CG PRO A2053 -2.834 1.183 10.366 1.00 2.23 C ATOM 669 CD PRO A2053 -1.724 1.882 9.595 1.00 34.13 C ATOM 0 HA PRO A2053 -0.121 -0.488 11.212 1.00 14.03 H new ATOM 0 HB2 PRO A2053 -2.845 -0.901 10.955 1.00 30.12 H new ATOM 0 HB3 PRO A2053 -2.139 0.170 12.149 1.00 30.12 H new ATOM 0 HG2 PRO A2053 -3.625 0.862 9.689 1.00 2.23 H new ATOM 0 HG3 PRO A2053 -3.287 1.865 11.085 1.00 2.23 H new ATOM 0 HD2 PRO A2053 -1.971 1.970 8.537 1.00 34.13 H new ATOM 0 HD3 PRO A2053 -1.558 2.892 9.969 1.00 34.13 H new ATOM 677 N LEU A2054 -1.543 -1.192 8.358 1.00 2.53 N ATOM 678 CA LEU A2054 -1.605 -2.209 7.322 1.00 3.23 C ATOM 679 C LEU A2054 -0.188 -2.684 6.993 1.00 32.44 C ATOM 680 O LEU A2054 0.101 -3.878 7.053 1.00 63.14 O ATOM 681 CB LEU A2054 -2.377 -1.691 6.107 1.00 62.21 C ATOM 682 CG LEU A2054 -3.900 -1.828 6.172 1.00 4.43 C ATOM 683 CD1 LEU A2054 -4.360 -2.164 7.591 1.00 63.13 C ATOM 684 CD2 LEU A2054 -4.587 -0.574 5.626 1.00 31.42 C ATOM 0 H LEU A2054 -2.091 -0.353 8.166 1.00 2.53 H new ATOM 0 HA LEU A2054 -2.159 -3.078 7.676 1.00 3.23 H new ATOM 0 HB2 LEU A2054 -2.132 -0.638 5.968 1.00 62.21 H new ATOM 0 HB3 LEU A2054 -2.022 -2.220 5.223 1.00 62.21 H new ATOM 0 HG LEU A2054 -4.196 -2.660 5.533 1.00 4.43 H new ATOM 0 HD11 LEU A2054 -5.446 -2.256 7.609 1.00 63.13 H new ATOM 0 HD12 LEU A2054 -3.911 -3.106 7.906 1.00 63.13 H new ATOM 0 HD13 LEU A2054 -4.051 -1.370 8.271 1.00 63.13 H new ATOM 0 HD21 LEU A2054 -5.668 -0.697 5.684 1.00 31.42 H new ATOM 0 HD22 LEU A2054 -4.288 0.291 6.218 1.00 31.42 H new ATOM 0 HD23 LEU A2054 -4.294 -0.422 4.587 1.00 31.42 H new ATOM 696 N HIS A2055 0.660 -1.723 6.653 1.00 30.25 N ATOM 697 CA HIS A2055 2.039 -2.029 6.315 1.00 4.40 C ATOM 698 C HIS A2055 2.727 -2.691 7.510 1.00 43.13 C ATOM 699 O HIS A2055 3.309 -3.766 7.378 1.00 20.01 O ATOM 700 CB HIS A2055 2.769 -0.773 5.832 1.00 2.30 C ATOM 701 CG HIS A2055 2.319 -0.283 4.476 1.00 31.12 C ATOM 702 ND1 HIS A2055 2.729 0.926 3.942 1.00 64.41 N ATOM 703 CD2 HIS A2055 1.493 -0.853 3.552 1.00 44.33 C ATOM 704 CE1 HIS A2055 2.168 1.067 2.750 1.00 42.31 C ATOM 705 NE2 HIS A2055 1.401 -0.035 2.511 1.00 24.22 N ATOM 0 H HIS A2055 0.418 -0.733 6.605 1.00 30.25 H new ATOM 0 HA HIS A2055 2.066 -2.738 5.487 1.00 4.40 H new ATOM 0 HB2 HIS A2055 2.622 0.023 6.562 1.00 2.30 H new ATOM 0 HB3 HIS A2055 3.839 -0.979 5.796 1.00 2.30 H new ATOM 0 HD2 HIS A2055 0.998 -1.808 3.651 1.00 44.33 H new ATOM 0 HE1 HIS A2055 2.296 1.908 2.084 1.00 42.31 H new ATOM 0 HE2 HIS A2055 0.848 -0.203 1.671 1.00 24.22 H new ATOM 714 N ALA A2056 2.635 -2.021 8.649 1.00 23.21 N ATOM 715 CA ALA A2056 3.241 -2.532 9.868 1.00 60.03 C ATOM 716 C ALA A2056 2.782 -3.974 10.095 1.00 41.23 C ATOM 717 O ALA A2056 3.604 -4.867 10.297 1.00 61.55 O ATOM 718 CB ALA A2056 2.884 -1.616 11.040 1.00 54.42 C ATOM 0 H ALA A2056 2.151 -1.130 8.754 1.00 23.21 H new ATOM 0 HA ALA A2056 4.327 -2.541 9.781 1.00 60.03 H new ATOM 0 HB1 ALA A2056 3.339 -2.000 11.953 1.00 54.42 H new ATOM 0 HB2 ALA A2056 3.258 -0.611 10.843 1.00 54.42 H new ATOM 0 HB3 ALA A2056 1.801 -1.584 11.160 1.00 54.42 H new ATOM 724 N MET A2057 1.470 -4.156 10.055 1.00 62.20 N ATOM 725 CA MET A2057 0.891 -5.475 10.254 1.00 54.15 C ATOM 726 C MET A2057 1.563 -6.510 9.350 1.00 53.34 C ATOM 727 O MET A2057 1.742 -7.661 9.746 1.00 42.52 O ATOM 728 CB MET A2057 -0.607 -5.425 9.950 1.00 61.42 C ATOM 729 CG MET A2057 -0.981 -6.443 8.870 1.00 23.25 C ATOM 730 SD MET A2057 -2.755 -6.507 8.678 1.00 35.20 S ATOM 731 CE MET A2057 -2.865 -6.936 6.951 1.00 30.21 C ATOM 0 H MET A2057 0.792 -3.413 9.888 1.00 62.20 H new ATOM 0 HA MET A2057 1.050 -5.770 11.291 1.00 54.15 H new ATOM 0 HB2 MET A2057 -1.173 -5.629 10.859 1.00 61.42 H new ATOM 0 HB3 MET A2057 -0.882 -4.423 9.621 1.00 61.42 H new ATOM 0 HG2 MET A2057 -0.514 -6.169 7.924 1.00 23.25 H new ATOM 0 HG3 MET A2057 -0.601 -7.428 9.140 1.00 23.25 H new ATOM 0 HE1 MET A2057 -3.880 -7.259 6.720 1.00 30.21 H new ATOM 0 HE2 MET A2057 -2.614 -6.067 6.343 1.00 30.21 H new ATOM 0 HE3 MET A2057 -2.168 -7.745 6.732 1.00 30.21 H new ATOM 741 N MET A2058 1.914 -6.063 8.154 1.00 64.22 N ATOM 742 CA MET A2058 2.561 -6.938 7.190 1.00 20.11 C ATOM 743 C MET A2058 3.991 -7.271 7.625 1.00 65.41 C ATOM 744 O MET A2058 4.490 -8.360 7.345 1.00 42.43 O ATOM 745 CB MET A2058 2.590 -6.255 5.820 1.00 2.40 C ATOM 746 CG MET A2058 1.174 -5.974 5.318 1.00 42.52 C ATOM 747 SD MET A2058 0.770 -7.081 3.978 1.00 22.32 S ATOM 748 CE MET A2058 -0.917 -7.482 4.405 1.00 31.24 C ATOM 0 H MET A2058 1.763 -5.108 7.830 1.00 64.22 H new ATOM 0 HA MET A2058 1.993 -7.867 7.131 1.00 20.11 H new ATOM 0 HB2 MET A2058 3.148 -5.321 5.887 1.00 2.40 H new ATOM 0 HB3 MET A2058 3.114 -6.889 5.105 1.00 2.40 H new ATOM 0 HG2 MET A2058 0.460 -6.099 6.132 1.00 42.52 H new ATOM 0 HG3 MET A2058 1.097 -4.940 4.982 1.00 42.52 H new ATOM 0 HE1 MET A2058 -1.455 -7.794 3.510 1.00 31.24 H new ATOM 0 HE2 MET A2058 -0.925 -8.292 5.134 1.00 31.24 H new ATOM 0 HE3 MET A2058 -1.402 -6.605 4.833 1.00 31.24 H new ATOM 758 N GLU A2059 4.607 -6.314 8.303 1.00 70.54 N ATOM 759 CA GLU A2059 5.967 -6.494 8.780 1.00 74.03 C ATOM 760 C GLU A2059 5.979 -7.375 10.031 1.00 10.10 C ATOM 761 O GLU A2059 6.528 -8.476 10.013 1.00 2.25 O ATOM 762 CB GLU A2059 6.634 -5.144 9.053 1.00 71.33 C ATOM 763 CG GLU A2059 6.186 -4.095 8.035 1.00 33.12 C ATOM 764 CD GLU A2059 6.069 -4.704 6.636 1.00 63.41 C ATOM 765 OE1 GLU A2059 6.840 -5.610 6.288 1.00 3.12 O ATOM 766 OE2 GLU A2059 5.133 -4.205 5.900 1.00 13.21 O ATOM 0 H GLU A2059 4.190 -5.412 8.533 1.00 70.54 H new ATOM 0 HA GLU A2059 6.542 -6.996 8.001 1.00 74.03 H new ATOM 0 HB2 GLU A2059 6.385 -4.808 10.060 1.00 71.33 H new ATOM 0 HB3 GLU A2059 7.718 -5.255 9.013 1.00 71.33 H new ATOM 0 HG2 GLU A2059 5.225 -3.678 8.336 1.00 33.12 H new ATOM 0 HG3 GLU A2059 6.899 -3.271 8.018 1.00 33.12 H new ATOM 774 N ARG A2060 5.370 -6.857 11.087 1.00 30.23 N ATOM 775 CA ARG A2060 5.304 -7.584 12.344 1.00 25.14 C ATOM 776 C ARG A2060 4.342 -8.768 12.224 1.00 70.14 C ATOM 777 O ARG A2060 4.458 -9.744 12.961 1.00 13.43 O ATOM 778 CB ARG A2060 4.841 -6.673 13.482 1.00 15.10 C ATOM 779 CG ARG A2060 3.416 -6.175 13.243 1.00 43.35 C ATOM 780 CD ARG A2060 3.033 -5.098 14.258 1.00 40.03 C ATOM 781 NE ARG A2060 1.853 -5.533 15.037 1.00 35.35 N ATOM 782 CZ ARG A2060 1.921 -6.301 16.147 1.00 44.24 C ATOM 783 NH1 ARG A2060 3.114 -6.724 16.616 1.00 4.31 N ATOM 784 NH2 ARG A2060 0.803 -6.631 16.766 1.00 60.31 N ATOM 0 H ARG A2060 4.918 -5.943 11.099 1.00 30.23 H new ATOM 0 HA ARG A2060 6.306 -7.948 12.569 1.00 25.14 H new ATOM 0 HB2 ARG A2060 4.887 -7.214 14.427 1.00 15.10 H new ATOM 0 HB3 ARG A2060 5.517 -5.822 13.569 1.00 15.10 H new ATOM 0 HG2 ARG A2060 3.332 -5.774 12.233 1.00 43.35 H new ATOM 0 HG3 ARG A2060 2.719 -7.010 13.313 1.00 43.35 H new ATOM 0 HD2 ARG A2060 3.870 -4.904 14.928 1.00 40.03 H new ATOM 0 HD3 ARG A2060 2.814 -4.163 13.743 1.00 40.03 H new ATOM 0 HE ARG A2060 0.932 -5.235 14.717 1.00 35.35 H new ATOM 0 HH11 ARG A2060 3.973 -6.464 16.132 1.00 4.31 H new ATOM 0 HH12 ARG A2060 3.156 -7.303 17.454 1.00 4.31 H new ATOM 0 HH21 ARG A2060 -0.094 -6.307 16.405 1.00 60.31 H new ATOM 0 HH22 ARG A2060 0.836 -7.210 17.605 1.00 60.31 H new ATOM 796 N GLY A2061 3.412 -8.639 11.288 1.00 22.44 N ATOM 797 CA GLY A2061 2.430 -9.686 11.061 1.00 33.34 C ATOM 798 C GLY A2061 2.585 -10.290 9.664 1.00 43.21 C ATOM 799 O GLY A2061 1.861 -9.920 8.741 1.00 23.31 O ATOM 0 H GLY A2061 3.318 -7.826 10.679 1.00 22.44 H new ATOM 0 HA2 GLY A2061 2.545 -10.466 11.813 1.00 33.34 H new ATOM 0 HA3 GLY A2061 1.426 -9.278 11.175 1.00 33.34 H new ATOM 803 N PRO A2062 3.558 -11.233 9.549 1.00 65.10 N ATOM 804 CA PRO A2062 3.815 -11.892 8.280 1.00 33.02 C ATOM 805 C PRO A2062 2.731 -12.923 7.966 1.00 13.00 C ATOM 806 O PRO A2062 1.645 -12.881 8.543 1.00 63.52 O ATOM 807 CB PRO A2062 5.196 -12.509 8.432 1.00 12.34 C ATOM 808 CG PRO A2062 5.464 -12.573 9.926 1.00 61.43 C ATOM 809 CD PRO A2062 4.434 -11.696 10.621 1.00 61.14 C ATOM 0 HA PRO A2062 3.790 -11.203 7.436 1.00 33.02 H new ATOM 0 HB2 PRO A2062 5.230 -13.503 7.987 1.00 12.34 H new ATOM 0 HB3 PRO A2062 5.950 -11.907 7.926 1.00 12.34 H new ATOM 0 HG2 PRO A2062 5.394 -13.601 10.283 1.00 61.43 H new ATOM 0 HG3 PRO A2062 6.473 -12.226 10.148 1.00 61.43 H new ATOM 0 HD2 PRO A2062 3.878 -12.257 11.372 1.00 61.14 H new ATOM 0 HD3 PRO A2062 4.908 -10.859 11.134 1.00 61.14 H new ATOM 817 N GLN A2063 3.062 -13.826 7.054 1.00 44.54 N ATOM 818 CA GLN A2063 2.128 -14.866 6.657 1.00 14.41 C ATOM 819 C GLN A2063 2.833 -16.224 6.625 1.00 22.51 C ATOM 820 O GLN A2063 2.472 -17.131 7.376 1.00 1.32 O ATOM 821 CB GLN A2063 1.494 -14.545 5.302 1.00 23.45 C ATOM 822 CG GLN A2063 0.066 -15.087 5.225 1.00 24.30 C ATOM 823 CD GLN A2063 -0.744 -14.347 4.157 1.00 32.32 C ATOM 824 OE1 GLN A2063 -0.288 -13.397 3.543 1.00 74.42 O ATOM 825 NE2 GLN A2063 -1.969 -14.833 3.973 1.00 10.21 N ATOM 0 H GLN A2063 3.964 -13.859 6.579 1.00 44.54 H new ATOM 0 HA GLN A2063 1.326 -14.910 7.394 1.00 14.41 H new ATOM 0 HB2 GLN A2063 1.487 -13.466 5.146 1.00 23.45 H new ATOM 0 HB3 GLN A2063 2.095 -14.979 4.503 1.00 23.45 H new ATOM 0 HG2 GLN A2063 0.089 -16.152 4.996 1.00 24.30 H new ATOM 0 HG3 GLN A2063 -0.420 -14.980 6.195 1.00 24.30 H new ATOM 0 HE21 GLN A2063 -2.288 -15.632 4.521 1.00 10.21 H new ATOM 0 HE22 GLN A2063 -2.588 -14.407 3.284 1.00 10.21 H new ATOM 834 N THR A2064 3.820 -16.324 5.748 1.00 73.42 N ATOM 835 CA THR A2064 4.576 -17.557 5.610 1.00 34.23 C ATOM 836 C THR A2064 5.933 -17.279 4.961 1.00 63.10 C ATOM 837 O THR A2064 6.331 -16.124 4.812 1.00 20.20 O ATOM 838 CB THR A2064 3.719 -18.551 4.824 1.00 41.33 C ATOM 839 OG1 THR A2064 3.132 -17.763 3.791 1.00 20.22 O ATOM 840 CG2 THR A2064 2.521 -19.058 5.630 1.00 61.14 C ATOM 0 H THR A2064 4.114 -15.571 5.126 1.00 73.42 H new ATOM 0 HA THR A2064 4.799 -17.996 6.582 1.00 34.23 H new ATOM 0 HB THR A2064 4.335 -19.397 4.517 1.00 41.33 H new ATOM 0 HG1 THR A2064 2.561 -18.330 3.232 1.00 20.22 H new ATOM 0 HG21 THR A2064 1.947 -19.760 5.026 1.00 61.14 H new ATOM 0 HG22 THR A2064 2.875 -19.559 6.531 1.00 61.14 H new ATOM 0 HG23 THR A2064 1.887 -18.216 5.908 1.00 61.14 H new ATOM 848 N LEU A2065 6.607 -18.359 4.591 1.00 13.41 N ATOM 849 CA LEU A2065 7.913 -18.247 3.962 1.00 65.04 C ATOM 850 C LEU A2065 7.748 -17.663 2.557 1.00 44.22 C ATOM 851 O LEU A2065 8.661 -17.025 2.035 1.00 61.14 O ATOM 852 CB LEU A2065 8.637 -19.593 3.987 1.00 52.24 C ATOM 853 CG LEU A2065 10.165 -19.532 4.089 1.00 65.31 C ATOM 854 CD1 LEU A2065 10.792 -19.223 2.729 1.00 71.25 C ATOM 855 CD2 LEU A2065 10.601 -18.535 5.163 1.00 13.00 C ATOM 0 H LEU A2065 6.273 -19.315 4.715 1.00 13.41 H new ATOM 0 HA LEU A2065 8.548 -17.560 4.521 1.00 65.04 H new ATOM 0 HB2 LEU A2065 8.259 -20.171 4.831 1.00 52.24 H new ATOM 0 HB3 LEU A2065 8.375 -20.141 3.082 1.00 52.24 H new ATOM 0 HG LEU A2065 10.529 -20.513 4.394 1.00 65.31 H new ATOM 0 HD11 LEU A2065 11.877 -19.185 2.829 1.00 71.25 H new ATOM 0 HD12 LEU A2065 10.520 -20.003 2.017 1.00 71.25 H new ATOM 0 HD13 LEU A2065 10.427 -18.261 2.370 1.00 71.25 H new ATOM 0 HD21 LEU A2065 11.689 -18.510 5.216 1.00 13.00 H new ATOM 0 HD22 LEU A2065 10.227 -17.543 4.911 1.00 13.00 H new ATOM 0 HD23 LEU A2065 10.198 -18.841 6.128 1.00 13.00 H new ATOM 867 N LYS A2066 6.578 -17.902 1.985 1.00 72.31 N ATOM 868 CA LYS A2066 6.282 -17.411 0.651 1.00 41.14 C ATOM 869 C LYS A2066 6.010 -15.906 0.716 1.00 61.02 C ATOM 870 O LYS A2066 6.312 -15.174 -0.225 1.00 3.30 O ATOM 871 CB LYS A2066 5.141 -18.213 0.023 1.00 22.11 C ATOM 872 CG LYS A2066 5.407 -18.475 -1.462 1.00 52.41 C ATOM 873 CD LYS A2066 4.108 -18.791 -2.204 1.00 74.45 C ATOM 874 CE LYS A2066 3.925 -20.302 -2.370 1.00 42.34 C ATOM 875 NZ LYS A2066 2.980 -20.592 -3.472 1.00 4.12 N ATOM 0 H LYS A2066 5.823 -18.430 2.422 1.00 72.31 H new ATOM 0 HA LYS A2066 7.140 -17.555 -0.005 1.00 41.14 H new ATOM 0 HB2 LYS A2066 5.026 -19.161 0.548 1.00 22.11 H new ATOM 0 HB3 LYS A2066 4.203 -17.669 0.138 1.00 22.11 H new ATOM 0 HG2 LYS A2066 5.882 -17.602 -1.909 1.00 52.41 H new ATOM 0 HG3 LYS A2066 6.103 -19.307 -1.569 1.00 52.41 H new ATOM 0 HD2 LYS A2066 3.262 -18.377 -1.656 1.00 74.45 H new ATOM 0 HD3 LYS A2066 4.119 -18.313 -3.183 1.00 74.45 H new ATOM 0 HE2 LYS A2066 4.887 -20.770 -2.576 1.00 42.34 H new ATOM 0 HE3 LYS A2066 3.553 -20.733 -1.441 1.00 42.34 H new ATOM 0 HZ1 LYS A2066 2.867 -21.621 -3.571 1.00 4.12 H new ATOM 0 HZ2 LYS A2066 2.057 -20.161 -3.260 1.00 4.12 H new ATOM 0 HZ3 LYS A2066 3.351 -20.197 -4.360 1.00 4.12 H new ATOM 888 N GLU A2067 5.440 -15.488 1.837 1.00 51.01 N ATOM 889 CA GLU A2067 5.124 -14.084 2.038 1.00 34.25 C ATOM 890 C GLU A2067 6.312 -13.208 1.633 1.00 14.24 C ATOM 891 O GLU A2067 6.137 -12.046 1.275 1.00 43.52 O ATOM 892 CB GLU A2067 4.716 -13.817 3.488 1.00 75.35 C ATOM 893 CG GLU A2067 4.572 -12.316 3.750 1.00 3.40 C ATOM 894 CD GLU A2067 5.758 -11.784 4.558 1.00 60.32 C ATOM 895 OE1 GLU A2067 5.559 -11.101 5.575 1.00 24.14 O ATOM 896 OE2 GLU A2067 6.920 -12.106 4.099 1.00 13.00 O ATOM 0 H GLU A2067 5.189 -16.097 2.616 1.00 51.01 H new ATOM 0 HA GLU A2067 4.276 -13.828 1.402 1.00 34.25 H new ATOM 0 HB2 GLU A2067 3.773 -14.319 3.702 1.00 75.35 H new ATOM 0 HB3 GLU A2067 5.462 -14.238 4.163 1.00 75.35 H new ATOM 0 HG2 GLU A2067 4.505 -11.783 2.802 1.00 3.40 H new ATOM 0 HG3 GLU A2067 3.645 -12.125 4.290 1.00 3.40 H new ATOM 904 N THR A2068 7.495 -13.803 1.703 1.00 21.34 N ATOM 905 CA THR A2068 8.711 -13.091 1.348 1.00 61.40 C ATOM 906 C THR A2068 8.601 -12.520 -0.066 1.00 5.14 C ATOM 907 O THR A2068 8.898 -11.348 -0.291 1.00 44.43 O ATOM 908 CB THR A2068 9.889 -14.053 1.526 1.00 51.04 C ATOM 909 OG1 THR A2068 9.516 -15.203 0.774 1.00 11.43 O ATOM 910 CG2 THR A2068 10.011 -14.568 2.961 1.00 23.12 C ATOM 0 H THR A2068 7.637 -14.769 2.000 1.00 21.34 H new ATOM 0 HA THR A2068 8.872 -12.232 1.999 1.00 61.40 H new ATOM 0 HB THR A2068 10.814 -13.551 1.240 1.00 51.04 H new ATOM 0 HG1 THR A2068 9.594 -16.001 1.337 1.00 11.43 H new ATOM 0 HG21 THR A2068 10.861 -15.246 3.033 1.00 23.12 H new ATOM 0 HG22 THR A2068 10.159 -13.727 3.638 1.00 23.12 H new ATOM 0 HG23 THR A2068 9.099 -15.099 3.236 1.00 23.12 H new ATOM 918 N SER A2069 8.175 -13.375 -0.985 1.00 33.43 N ATOM 919 CA SER A2069 8.022 -12.972 -2.372 1.00 54.45 C ATOM 920 C SER A2069 7.141 -11.724 -2.458 1.00 40.22 C ATOM 921 O SER A2069 7.439 -10.798 -3.213 1.00 24.15 O ATOM 922 CB SER A2069 7.427 -14.101 -3.213 1.00 31.54 C ATOM 923 OG SER A2069 7.590 -13.872 -4.608 1.00 41.51 O ATOM 0 H SER A2069 7.931 -14.347 -0.795 1.00 33.43 H new ATOM 0 HA SER A2069 9.009 -12.742 -2.772 1.00 54.45 H new ATOM 0 HB2 SER A2069 7.903 -15.044 -2.943 1.00 31.54 H new ATOM 0 HB3 SER A2069 6.366 -14.203 -2.984 1.00 31.54 H new ATOM 0 HG SER A2069 7.198 -14.617 -5.110 1.00 41.51 H new ATOM 929 N PHE A2070 6.072 -11.736 -1.673 1.00 45.34 N ATOM 930 CA PHE A2070 5.145 -10.617 -1.654 1.00 2.15 C ATOM 931 C PHE A2070 5.758 -9.412 -0.936 1.00 32.12 C ATOM 932 O PHE A2070 5.808 -8.315 -1.489 1.00 62.10 O ATOM 933 CB PHE A2070 3.905 -11.077 -0.886 1.00 11.32 C ATOM 934 CG PHE A2070 2.790 -10.032 -0.820 1.00 20.20 C ATOM 935 CD1 PHE A2070 2.900 -8.975 0.029 1.00 75.44 C ATOM 936 CD2 PHE A2070 1.691 -10.160 -1.610 1.00 51.31 C ATOM 937 CE1 PHE A2070 1.865 -8.004 0.090 1.00 45.41 C ATOM 938 CE2 PHE A2070 0.656 -9.189 -1.549 1.00 11.12 C ATOM 939 CZ PHE A2070 0.765 -8.132 -0.700 1.00 55.32 C ATOM 0 H PHE A2070 5.828 -12.503 -1.046 1.00 45.34 H new ATOM 0 HA PHE A2070 4.903 -10.315 -2.673 1.00 2.15 H new ATOM 0 HB2 PHE A2070 3.515 -11.980 -1.354 1.00 11.32 H new ATOM 0 HB3 PHE A2070 4.198 -11.345 0.129 1.00 11.32 H new ATOM 0 HD1 PHE A2070 3.773 -8.874 0.656 1.00 75.44 H new ATOM 0 HD2 PHE A2070 1.605 -11.000 -2.284 1.00 51.31 H new ATOM 0 HE1 PHE A2070 1.951 -7.164 0.764 1.00 45.41 H new ATOM 0 HE2 PHE A2070 -0.217 -9.290 -2.177 1.00 11.12 H new ATOM 0 HZ PHE A2070 -0.022 -7.394 -0.653 1.00 55.32 H new ATOM 949 N ASN A2071 6.208 -9.658 0.286 1.00 22.32 N ATOM 950 CA ASN A2071 6.814 -8.608 1.085 1.00 3.34 C ATOM 951 C ASN A2071 8.034 -8.049 0.346 1.00 72.23 C ATOM 952 O ASN A2071 8.351 -6.867 0.471 1.00 22.15 O ATOM 953 CB ASN A2071 7.286 -9.146 2.437 1.00 31.23 C ATOM 954 CG ASN A2071 7.704 -8.005 3.368 1.00 72.31 C ATOM 955 OD1 ASN A2071 8.873 -7.723 3.562 1.00 1.13 O ATOM 956 ND2 ASN A2071 6.680 -7.366 3.930 1.00 60.22 N ATOM 0 H ASN A2071 6.165 -10.570 0.742 1.00 22.32 H new ATOM 0 HA ASN A2071 6.064 -7.834 1.247 1.00 3.34 H new ATOM 0 HB2 ASN A2071 6.487 -9.724 2.901 1.00 31.23 H new ATOM 0 HB3 ASN A2071 8.126 -9.825 2.289 1.00 31.23 H new ATOM 0 HD21 ASN A2071 6.852 -6.588 4.567 1.00 60.22 H new ATOM 0 HD22 ASN A2071 5.724 -7.654 3.724 1.00 60.22 H new ATOM 963 N GLN A2072 8.681 -8.926 -0.405 1.00 45.22 N ATOM 964 CA GLN A2072 9.857 -8.534 -1.165 1.00 23.41 C ATOM 965 C GLN A2072 9.445 -7.844 -2.465 1.00 42.13 C ATOM 966 O GLN A2072 9.916 -6.749 -2.768 1.00 33.22 O ATOM 967 CB GLN A2072 10.754 -9.743 -1.446 1.00 24.20 C ATOM 968 CG GLN A2072 11.451 -10.217 -0.170 1.00 31.11 C ATOM 969 CD GLN A2072 12.950 -10.413 -0.404 1.00 44.32 C ATOM 970 OE1 GLN A2072 13.382 -11.299 -1.123 1.00 24.31 O ATOM 971 NE2 GLN A2072 13.717 -9.539 0.241 1.00 71.41 N ATOM 0 H GLN A2072 8.415 -9.906 -0.504 1.00 45.22 H new ATOM 0 HA GLN A2072 10.432 -7.825 -0.569 1.00 23.41 H new ATOM 0 HB2 GLN A2072 10.157 -10.555 -1.861 1.00 24.20 H new ATOM 0 HB3 GLN A2072 11.500 -9.480 -2.196 1.00 24.20 H new ATOM 0 HG2 GLN A2072 11.296 -9.488 0.625 1.00 31.11 H new ATOM 0 HG3 GLN A2072 11.006 -11.154 0.165 1.00 31.11 H new ATOM 0 HE21 GLN A2072 13.291 -8.822 0.827 1.00 71.41 H new ATOM 0 HE22 GLN A2072 14.732 -9.586 0.149 1.00 71.41 H new ATOM 980 N ALA A2073 8.569 -8.512 -3.201 1.00 4.22 N ATOM 981 CA ALA A2073 8.087 -7.975 -4.464 1.00 62.40 C ATOM 982 C ALA A2073 7.798 -6.481 -4.299 1.00 25.33 C ATOM 983 O ALA A2073 8.147 -5.680 -5.163 1.00 0.15 O ATOM 984 CB ALA A2073 6.856 -8.762 -4.915 1.00 11.35 C ATOM 0 H ALA A2073 8.180 -9.420 -2.948 1.00 4.22 H new ATOM 0 HA ALA A2073 8.843 -8.080 -5.242 1.00 62.40 H new ATOM 0 HB1 ALA A2073 6.494 -8.360 -5.861 1.00 11.35 H new ATOM 0 HB2 ALA A2073 7.122 -9.811 -5.044 1.00 11.35 H new ATOM 0 HB3 ALA A2073 6.073 -8.676 -4.161 1.00 11.35 H new ATOM 990 N TYR A2074 7.159 -6.153 -3.185 1.00 54.30 N ATOM 991 CA TYR A2074 6.817 -4.771 -2.898 1.00 32.21 C ATOM 992 C TYR A2074 7.775 -4.174 -1.864 1.00 55.00 C ATOM 993 O TYR A2074 7.837 -2.956 -1.702 1.00 14.11 O ATOM 994 CB TYR A2074 5.406 -4.798 -2.311 1.00 20.44 C ATOM 995 CG TYR A2074 4.379 -5.517 -3.190 1.00 15.54 C ATOM 996 CD1 TYR A2074 4.346 -5.277 -4.548 1.00 11.35 C ATOM 997 CD2 TYR A2074 3.487 -6.406 -2.624 1.00 62.31 C ATOM 998 CE1 TYR A2074 3.383 -5.953 -5.375 1.00 64.51 C ATOM 999 CE2 TYR A2074 2.522 -7.082 -3.453 1.00 34.15 C ATOM 1000 CZ TYR A2074 2.518 -6.821 -4.788 1.00 23.34 C ATOM 1001 OH TYR A2074 1.606 -7.460 -5.570 1.00 15.04 O ATOM 0 H TYR A2074 6.869 -6.821 -2.471 1.00 54.30 H new ATOM 0 HA TYR A2074 6.882 -4.164 -3.801 1.00 32.21 H new ATOM 0 HB2 TYR A2074 5.438 -5.284 -1.336 1.00 20.44 H new ATOM 0 HB3 TYR A2074 5.073 -3.773 -2.145 1.00 20.44 H new ATOM 0 HD1 TYR A2074 5.044 -4.581 -4.990 1.00 11.35 H new ATOM 0 HD2 TYR A2074 3.513 -6.594 -1.561 1.00 62.31 H new ATOM 0 HE1 TYR A2074 3.348 -5.775 -6.440 1.00 64.51 H new ATOM 0 HE2 TYR A2074 1.818 -7.780 -3.024 1.00 34.15 H new ATOM 0 HH TYR A2074 1.399 -8.336 -5.182 1.00 15.04 H new ATOM 1011 N GLY A2075 8.498 -5.059 -1.192 1.00 43.13 N ATOM 1012 CA GLY A2075 9.449 -4.635 -0.180 1.00 53.54 C ATOM 1013 C GLY A2075 10.180 -3.362 -0.612 1.00 22.02 C ATOM 1014 O GLY A2075 10.207 -2.377 0.123 1.00 2.22 O ATOM 0 H GLY A2075 8.443 -6.068 -1.329 1.00 43.13 H new ATOM 0 HA2 GLY A2075 8.929 -4.458 0.761 1.00 53.54 H new ATOM 0 HA3 GLY A2075 10.172 -5.430 0.000 1.00 53.54 H new ATOM 1018 N ARG A2076 10.754 -3.426 -1.804 1.00 1.53 N ATOM 1019 CA ARG A2076 11.485 -2.291 -2.346 1.00 53.35 C ATOM 1020 C ARG A2076 10.516 -1.164 -2.711 1.00 53.52 C ATOM 1021 O ARG A2076 10.817 0.010 -2.499 1.00 41.44 O ATOM 1022 CB ARG A2076 12.285 -2.691 -3.586 1.00 71.14 C ATOM 1023 CG ARG A2076 11.380 -3.342 -4.635 1.00 75.14 C ATOM 1024 CD ARG A2076 11.130 -2.391 -5.809 1.00 3.23 C ATOM 1025 NE ARG A2076 10.269 -3.049 -6.816 1.00 23.31 N ATOM 1026 CZ ARG A2076 10.288 -2.757 -8.134 1.00 63.51 C ATOM 1027 NH1 ARG A2076 11.124 -1.813 -8.616 1.00 35.42 N ATOM 1028 NH2 ARG A2076 9.473 -3.406 -8.945 1.00 61.01 N ATOM 0 H ARG A2076 10.728 -4.246 -2.411 1.00 1.53 H new ATOM 0 HA ARG A2076 12.178 -1.945 -1.579 1.00 53.35 H new ATOM 0 HB2 ARG A2076 12.767 -1.811 -4.012 1.00 71.14 H new ATOM 0 HB3 ARG A2076 13.078 -3.384 -3.304 1.00 71.14 H new ATOM 0 HG2 ARG A2076 11.840 -4.261 -4.998 1.00 75.14 H new ATOM 0 HG3 ARG A2076 10.430 -3.620 -4.179 1.00 75.14 H new ATOM 0 HD2 ARG A2076 10.655 -1.477 -5.453 1.00 3.23 H new ATOM 0 HD3 ARG A2076 12.078 -2.102 -6.262 1.00 3.23 H new ATOM 0 HE ARG A2076 9.621 -3.768 -6.495 1.00 23.31 H new ATOM 0 HH11 ARG A2076 11.748 -1.313 -7.983 1.00 35.42 H new ATOM 0 HH12 ARG A2076 11.131 -1.599 -9.613 1.00 35.42 H new ATOM 0 HH21 ARG A2076 8.842 -4.116 -8.573 1.00 61.01 H new ATOM 0 HH22 ARG A2076 9.475 -3.198 -9.943 1.00 61.01 H new ATOM 1040 N ASP A2077 9.375 -1.559 -3.257 1.00 22.33 N ATOM 1041 CA ASP A2077 8.363 -0.597 -3.654 1.00 24.32 C ATOM 1042 C ASP A2077 7.890 0.177 -2.422 1.00 64.43 C ATOM 1043 O ASP A2077 8.036 1.397 -2.358 1.00 43.20 O ATOM 1044 CB ASP A2077 7.149 -1.297 -4.268 1.00 72.34 C ATOM 1045 CG ASP A2077 7.306 -1.696 -5.737 1.00 42.55 C ATOM 1046 OD1 ASP A2077 8.057 -1.062 -6.494 1.00 35.54 O ATOM 1047 OD2 ASP A2077 6.607 -2.718 -6.104 1.00 13.51 O ATOM 0 H ASP A2077 9.130 -2.533 -3.434 1.00 22.33 H new ATOM 0 HA ASP A2077 8.805 0.072 -4.392 1.00 24.32 H new ATOM 0 HB2 ASP A2077 6.932 -2.192 -3.685 1.00 72.34 H new ATOM 0 HB3 ASP A2077 6.285 -0.639 -4.176 1.00 72.34 H new ATOM 1053 N LEU A2078 7.331 -0.562 -1.476 1.00 12.43 N ATOM 1054 CA LEU A2078 6.835 0.039 -0.251 1.00 12.32 C ATOM 1055 C LEU A2078 7.937 0.898 0.372 1.00 41.42 C ATOM 1056 O LEU A2078 7.663 1.968 0.913 1.00 30.32 O ATOM 1057 CB LEU A2078 6.287 -1.036 0.690 1.00 31.42 C ATOM 1058 CG LEU A2078 5.005 -1.737 0.233 1.00 35.31 C ATOM 1059 CD1 LEU A2078 4.365 -2.512 1.386 1.00 14.21 C ATOM 1060 CD2 LEU A2078 4.031 -0.741 -0.400 1.00 35.53 C ATOM 0 H LEU A2078 7.211 -1.573 -1.534 1.00 12.43 H new ATOM 0 HA LEU A2078 5.996 0.701 -0.464 1.00 12.32 H new ATOM 0 HB2 LEU A2078 7.059 -1.792 0.835 1.00 31.42 H new ATOM 0 HB3 LEU A2078 6.101 -0.579 1.662 1.00 31.42 H new ATOM 0 HG LEU A2078 5.267 -2.463 -0.537 1.00 35.31 H new ATOM 0 HD11 LEU A2078 3.456 -3.001 1.036 1.00 14.21 H new ATOM 0 HD12 LEU A2078 5.064 -3.264 1.751 1.00 14.21 H new ATOM 0 HD13 LEU A2078 4.118 -1.824 2.194 1.00 14.21 H new ATOM 0 HD21 LEU A2078 3.129 -1.265 -0.716 1.00 35.53 H new ATOM 0 HD22 LEU A2078 3.769 0.025 0.329 1.00 35.53 H new ATOM 0 HD23 LEU A2078 4.500 -0.273 -1.265 1.00 35.53 H new ATOM 1072 N MET A2079 9.160 0.398 0.275 1.00 22.32 N ATOM 1073 CA MET A2079 10.304 1.107 0.822 1.00 3.32 C ATOM 1074 C MET A2079 10.431 2.502 0.207 1.00 71.41 C ATOM 1075 O MET A2079 10.602 3.488 0.924 1.00 33.24 O ATOM 1076 CB MET A2079 11.579 0.308 0.545 1.00 13.44 C ATOM 1077 CG MET A2079 12.013 -0.483 1.781 1.00 63.34 C ATOM 1078 SD MET A2079 12.476 0.637 3.091 1.00 51.34 S ATOM 1079 CE MET A2079 14.134 1.052 2.573 1.00 25.32 C ATOM 0 H MET A2079 9.384 -0.490 -0.174 1.00 22.32 H new ATOM 0 HA MET A2079 10.160 1.217 1.897 1.00 3.32 H new ATOM 0 HB2 MET A2079 11.410 -0.375 -0.287 1.00 13.44 H new ATOM 0 HB3 MET A2079 12.378 0.985 0.244 1.00 13.44 H new ATOM 0 HG2 MET A2079 11.200 -1.129 2.114 1.00 63.34 H new ATOM 0 HG3 MET A2079 12.853 -1.131 1.532 1.00 63.34 H new ATOM 0 HE1 MET A2079 14.848 0.680 3.307 1.00 25.32 H new ATOM 0 HE2 MET A2079 14.338 0.595 1.605 1.00 25.32 H new ATOM 0 HE3 MET A2079 14.229 2.135 2.491 1.00 25.32 H new ATOM 1089 N GLU A2080 10.340 2.542 -1.113 1.00 41.31 N ATOM 1090 CA GLU A2080 10.443 3.800 -1.833 1.00 64.42 C ATOM 1091 C GLU A2080 9.295 4.732 -1.437 1.00 2.40 C ATOM 1092 O GLU A2080 9.528 5.833 -0.942 1.00 4.41 O ATOM 1093 CB GLU A2080 10.464 3.567 -3.345 1.00 74.52 C ATOM 1094 CG GLU A2080 10.671 4.882 -4.100 1.00 12.20 C ATOM 1095 CD GLU A2080 11.078 4.622 -5.550 1.00 10.41 C ATOM 1096 OE1 GLU A2080 11.560 3.526 -5.874 1.00 32.52 O ATOM 1097 OE2 GLU A2080 10.880 5.609 -6.358 1.00 21.23 O ATOM 0 H GLU A2080 10.196 1.723 -1.704 1.00 41.31 H new ATOM 0 HA GLU A2080 11.384 4.277 -1.560 1.00 64.42 H new ATOM 0 HB2 GLU A2080 11.262 2.869 -3.598 1.00 74.52 H new ATOM 0 HB3 GLU A2080 9.527 3.107 -3.659 1.00 74.52 H new ATOM 0 HG2 GLU A2080 9.752 5.468 -4.076 1.00 12.20 H new ATOM 0 HG3 GLU A2080 11.440 5.474 -3.603 1.00 12.20 H new ATOM 1105 N ALA A2081 8.081 4.256 -1.673 1.00 21.50 N ATOM 1106 CA ALA A2081 6.897 5.033 -1.347 1.00 54.50 C ATOM 1107 C ALA A2081 6.967 5.472 0.117 1.00 44.15 C ATOM 1108 O ALA A2081 6.631 6.608 0.445 1.00 41.53 O ATOM 1109 CB ALA A2081 5.645 4.207 -1.649 1.00 24.43 C ATOM 0 H ALA A2081 7.892 3.343 -2.086 1.00 21.50 H new ATOM 0 HA ALA A2081 6.849 5.934 -1.959 1.00 54.50 H new ATOM 0 HB1 ALA A2081 4.757 4.790 -1.404 1.00 24.43 H new ATOM 0 HB2 ALA A2081 5.628 3.946 -2.707 1.00 24.43 H new ATOM 0 HB3 ALA A2081 5.657 3.296 -1.051 1.00 24.43 H new ATOM 1115 N GLN A2082 7.404 4.547 0.958 1.00 64.35 N ATOM 1116 CA GLN A2082 7.522 4.824 2.380 1.00 5.41 C ATOM 1117 C GLN A2082 8.398 6.058 2.609 1.00 34.43 C ATOM 1118 O GLN A2082 8.063 6.919 3.421 1.00 41.25 O ATOM 1119 CB GLN A2082 8.075 3.611 3.131 1.00 31.41 C ATOM 1120 CG GLN A2082 8.251 3.921 4.620 1.00 2.01 C ATOM 1121 CD GLN A2082 9.635 3.495 5.108 1.00 15.02 C ATOM 1122 OE1 GLN A2082 10.660 3.961 4.638 1.00 24.22 O ATOM 1123 NE2 GLN A2082 9.610 2.583 6.078 1.00 2.52 N ATOM 0 H GLN A2082 7.681 3.605 0.683 1.00 64.35 H new ATOM 0 HA GLN A2082 6.527 5.031 2.774 1.00 5.41 H new ATOM 0 HB2 GLN A2082 7.399 2.764 3.010 1.00 31.41 H new ATOM 0 HB3 GLN A2082 9.033 3.318 2.701 1.00 31.41 H new ATOM 0 HG2 GLN A2082 8.114 4.989 4.792 1.00 2.01 H new ATOM 0 HG3 GLN A2082 7.483 3.404 5.196 1.00 2.01 H new ATOM 0 HE21 GLN A2082 8.717 2.234 6.427 1.00 2.52 H new ATOM 0 HE22 GLN A2082 10.483 2.234 6.472 1.00 2.52 H new ATOM 1132 N GLU A2083 9.503 6.102 1.881 1.00 41.13 N ATOM 1133 CA GLU A2083 10.431 7.216 1.994 1.00 71.10 C ATOM 1134 C GLU A2083 9.761 8.513 1.535 1.00 2.20 C ATOM 1135 O GLU A2083 10.006 9.577 2.101 1.00 32.53 O ATOM 1136 CB GLU A2083 11.710 6.947 1.200 1.00 73.45 C ATOM 1137 CG GLU A2083 11.964 8.059 0.179 1.00 31.14 C ATOM 1138 CD GLU A2083 13.317 7.871 -0.512 1.00 64.44 C ATOM 1139 OE1 GLU A2083 13.359 7.531 -1.705 1.00 34.34 O ATOM 1140 OE2 GLU A2083 14.345 8.089 0.234 1.00 71.21 O ATOM 0 H GLU A2083 9.778 5.385 1.210 1.00 41.13 H new ATOM 0 HA GLU A2083 10.711 7.326 3.042 1.00 71.10 H new ATOM 0 HB2 GLU A2083 12.557 6.874 1.882 1.00 73.45 H new ATOM 0 HB3 GLU A2083 11.630 5.989 0.687 1.00 73.45 H new ATOM 0 HG2 GLU A2083 11.168 8.062 -0.566 1.00 31.14 H new ATOM 0 HG3 GLU A2083 11.938 9.028 0.677 1.00 31.14 H new ATOM 1148 N TRP A2084 8.929 8.382 0.511 1.00 73.44 N ATOM 1149 CA TRP A2084 8.222 9.530 -0.030 1.00 33.31 C ATOM 1150 C TRP A2084 7.159 9.953 0.986 1.00 60.15 C ATOM 1151 O TRP A2084 6.848 11.138 1.107 1.00 62.35 O ATOM 1152 CB TRP A2084 7.639 9.213 -1.408 1.00 55.44 C ATOM 1153 CG TRP A2084 8.694 8.966 -2.488 1.00 62.33 C ATOM 1154 CD1 TRP A2084 9.090 7.792 -3.001 1.00 54.55 C ATOM 1155 CD2 TRP A2084 9.475 9.968 -3.173 1.00 44.24 C ATOM 1156 NE1 TRP A2084 10.066 7.964 -3.961 1.00 4.31 N ATOM 1157 CE2 TRP A2084 10.308 9.329 -4.070 1.00 34.41 C ATOM 1158 CE3 TRP A2084 9.477 11.367 -3.040 1.00 33.12 C ATOM 1159 CZ2 TRP A2084 11.205 10.009 -4.902 1.00 53.23 C ATOM 1160 CZ3 TRP A2084 10.380 12.033 -3.878 1.00 73.01 C ATOM 1161 CH2 TRP A2084 11.225 11.405 -4.786 1.00 52.11 C ATOM 0 H TRP A2084 8.729 7.498 0.042 1.00 73.44 H new ATOM 0 HA TRP A2084 8.905 10.365 -0.187 1.00 33.31 H new ATOM 0 HB2 TRP A2084 7.003 8.332 -1.328 1.00 55.44 H new ATOM 0 HB3 TRP A2084 7.001 10.040 -1.720 1.00 55.44 H new ATOM 0 HD1 TRP A2084 8.695 6.833 -2.701 1.00 54.55 H new ATOM 0 HE1 TRP A2084 10.526 7.225 -4.493 1.00 4.31 H new ATOM 0 HE3 TRP A2084 8.833 11.887 -2.346 1.00 33.12 H new ATOM 0 HZ2 TRP A2084 11.847 9.486 -5.596 1.00 53.23 H new ATOM 0 HZ3 TRP A2084 10.423 13.110 -3.814 1.00 73.01 H new ATOM 0 HH2 TRP A2084 11.894 11.991 -5.399 1.00 52.11 H new ATOM 1172 N CYS A2085 6.632 8.964 1.691 1.00 23.40 N ATOM 1173 CA CYS A2085 5.611 9.219 2.693 1.00 72.31 C ATOM 1174 C CYS A2085 6.205 10.138 3.762 1.00 63.02 C ATOM 1175 O CYS A2085 5.603 11.149 4.119 1.00 34.11 O ATOM 1176 CB CYS A2085 5.071 7.920 3.294 1.00 73.42 C ATOM 1177 SG CYS A2085 4.059 8.289 4.774 1.00 5.14 S ATOM 0 H CYS A2085 6.893 7.983 1.588 1.00 23.40 H new ATOM 0 HA CYS A2085 4.756 9.710 2.227 1.00 72.31 H new ATOM 0 HB2 CYS A2085 4.470 7.390 2.555 1.00 73.42 H new ATOM 0 HB3 CYS A2085 5.898 7.263 3.563 1.00 73.42 H new ATOM 0 HG CYS A2085 2.841 8.563 4.410 1.00 5.14 H new ATOM 1183 N ARG A2086 7.380 9.755 4.240 1.00 4.54 N ATOM 1184 CA ARG A2086 8.062 10.533 5.260 1.00 12.43 C ATOM 1185 C ARG A2086 8.399 11.928 4.728 1.00 71.54 C ATOM 1186 O ARG A2086 8.216 12.923 5.426 1.00 74.43 O ATOM 1187 CB ARG A2086 9.352 9.842 5.708 1.00 43.00 C ATOM 1188 CG ARG A2086 9.062 8.774 6.763 1.00 41.01 C ATOM 1189 CD ARG A2086 9.056 7.375 6.142 1.00 54.12 C ATOM 1190 NE ARG A2086 9.193 6.350 7.202 1.00 13.32 N ATOM 1191 CZ ARG A2086 10.296 6.190 7.963 1.00 4.34 C ATOM 1192 NH1 ARG A2086 11.372 6.988 7.788 1.00 0.34 N ATOM 1193 NH2 ARG A2086 10.311 5.241 8.880 1.00 64.14 N ATOM 0 H ARG A2086 7.877 8.916 3.940 1.00 4.54 H new ATOM 0 HA ARG A2086 7.391 10.618 6.115 1.00 12.43 H new ATOM 0 HB2 ARG A2086 9.842 9.385 4.848 1.00 43.00 H new ATOM 0 HB3 ARG A2086 10.043 10.581 6.114 1.00 43.00 H new ATOM 0 HG2 ARG A2086 9.814 8.823 7.551 1.00 41.01 H new ATOM 0 HG3 ARG A2086 8.097 8.972 7.230 1.00 41.01 H new ATOM 0 HD2 ARG A2086 8.130 7.217 5.590 1.00 54.12 H new ATOM 0 HD3 ARG A2086 9.873 7.282 5.427 1.00 54.12 H new ATOM 0 HE ARG A2086 8.404 5.725 7.367 1.00 13.32 H new ATOM 0 HH11 ARG A2086 11.355 7.718 7.076 1.00 0.34 H new ATOM 0 HH12 ARG A2086 12.201 6.860 8.368 1.00 0.34 H new ATOM 0 HH21 ARG A2086 9.496 4.641 9.006 1.00 64.14 H new ATOM 0 HH22 ARG A2086 11.137 5.108 9.463 1.00 64.14 H new ATOM 1205 N LYS A2087 8.883 11.955 3.495 1.00 35.22 N ATOM 1206 CA LYS A2087 9.246 13.212 2.861 1.00 61.34 C ATOM 1207 C LYS A2087 8.092 14.205 3.011 1.00 60.22 C ATOM 1208 O LYS A2087 8.301 15.348 3.414 1.00 50.25 O ATOM 1209 CB LYS A2087 9.672 12.978 1.411 1.00 73.24 C ATOM 1210 CG LYS A2087 11.158 12.630 1.324 1.00 15.11 C ATOM 1211 CD LYS A2087 11.579 12.370 -0.123 1.00 62.11 C ATOM 1212 CE LYS A2087 12.568 11.206 -0.207 1.00 3.10 C ATOM 1213 NZ LYS A2087 13.825 11.640 -0.854 1.00 32.43 N ATOM 0 H LYS A2087 9.032 11.127 2.918 1.00 35.22 H new ATOM 0 HA LYS A2087 10.112 13.652 3.355 1.00 61.34 H new ATOM 0 HB2 LYS A2087 9.080 12.170 0.981 1.00 73.24 H new ATOM 0 HB3 LYS A2087 9.469 13.871 0.820 1.00 73.24 H new ATOM 0 HG2 LYS A2087 11.751 13.446 1.737 1.00 15.11 H new ATOM 0 HG3 LYS A2087 11.364 11.748 1.930 1.00 15.11 H new ATOM 0 HD2 LYS A2087 10.699 12.148 -0.727 1.00 62.11 H new ATOM 0 HD3 LYS A2087 12.034 13.269 -0.540 1.00 62.11 H new ATOM 0 HE2 LYS A2087 12.779 10.827 0.793 1.00 3.10 H new ATOM 0 HE3 LYS A2087 12.126 10.385 -0.772 1.00 3.10 H new ATOM 0 HZ1 LYS A2087 14.485 10.838 -0.903 1.00 32.43 H new ATOM 0 HZ2 LYS A2087 13.621 11.980 -1.816 1.00 32.43 H new ATOM 0 HZ3 LYS A2087 14.254 12.408 -0.299 1.00 32.43 H new ATOM 1226 N TYR A2088 6.899 13.733 2.678 1.00 22.01 N ATOM 1227 CA TYR A2088 5.713 14.565 2.771 1.00 72.54 C ATOM 1228 C TYR A2088 5.348 14.841 4.230 1.00 21.12 C ATOM 1229 O TYR A2088 5.178 15.994 4.625 1.00 4.30 O ATOM 1230 CB TYR A2088 4.584 13.764 2.119 1.00 22.05 C ATOM 1231 CG TYR A2088 3.188 14.339 2.367 1.00 51.12 C ATOM 1232 CD1 TYR A2088 2.558 14.127 3.577 1.00 22.14 C ATOM 1233 CD2 TYR A2088 2.559 15.070 1.380 1.00 53.43 C ATOM 1234 CE1 TYR A2088 1.245 14.668 3.810 1.00 32.42 C ATOM 1235 CE2 TYR A2088 1.245 15.613 1.614 1.00 64.54 C ATOM 1236 CZ TYR A2088 0.652 15.385 2.817 1.00 53.31 C ATOM 1237 OH TYR A2088 -0.587 15.896 3.037 1.00 53.12 O ATOM 0 H TYR A2088 6.729 12.784 2.343 1.00 22.01 H new ATOM 0 HA TYR A2088 5.880 15.526 2.284 1.00 72.54 H new ATOM 0 HB2 TYR A2088 4.760 13.716 1.044 1.00 22.05 H new ATOM 0 HB3 TYR A2088 4.616 12.741 2.493 1.00 22.05 H new ATOM 0 HD1 TYR A2088 3.051 13.555 4.349 1.00 22.14 H new ATOM 0 HD2 TYR A2088 3.051 15.235 0.433 1.00 53.43 H new ATOM 0 HE1 TYR A2088 0.741 14.509 4.752 1.00 32.42 H new ATOM 0 HE2 TYR A2088 0.742 16.188 0.851 1.00 64.54 H new ATOM 0 HH TYR A2088 -0.885 16.385 2.242 1.00 53.12 H new ATOM 1247 N MET A2089 5.240 13.764 4.994 1.00 21.43 N ATOM 1248 CA MET A2089 4.898 13.876 6.402 1.00 15.25 C ATOM 1249 C MET A2089 5.724 14.971 7.082 1.00 10.23 C ATOM 1250 O MET A2089 5.296 15.548 8.080 1.00 2.15 O ATOM 1251 CB MET A2089 5.157 12.537 7.099 1.00 44.14 C ATOM 1252 CG MET A2089 4.033 11.541 6.804 1.00 2.51 C ATOM 1253 SD MET A2089 3.249 11.037 8.325 1.00 71.24 S ATOM 1254 CE MET A2089 1.545 11.395 7.932 1.00 1.13 C ATOM 0 H MET A2089 5.383 12.809 4.665 1.00 21.43 H new ATOM 0 HA MET A2089 3.843 14.140 6.480 1.00 15.25 H new ATOM 0 HB2 MET A2089 6.109 12.126 6.764 1.00 44.14 H new ATOM 0 HB3 MET A2089 5.238 12.692 8.175 1.00 44.14 H new ATOM 0 HG2 MET A2089 3.298 11.996 6.140 1.00 2.51 H new ATOM 0 HG3 MET A2089 4.435 10.670 6.286 1.00 2.51 H new ATOM 0 HE1 MET A2089 1.123 12.042 8.701 1.00 1.13 H new ATOM 0 HE2 MET A2089 1.492 11.897 6.966 1.00 1.13 H new ATOM 0 HE3 MET A2089 0.978 10.465 7.889 1.00 1.13 H new ATOM 1264 N LYS A2090 6.893 15.225 6.510 1.00 74.32 N ATOM 1265 CA LYS A2090 7.783 16.242 7.048 1.00 72.34 C ATOM 1266 C LYS A2090 7.063 17.591 7.052 1.00 54.31 C ATOM 1267 O LYS A2090 7.173 18.354 8.011 1.00 22.11 O ATOM 1268 CB LYS A2090 9.108 16.253 6.284 1.00 1.03 C ATOM 1269 CG LYS A2090 10.284 16.498 7.230 1.00 3.42 C ATOM 1270 CD LYS A2090 10.402 17.982 7.583 1.00 35.33 C ATOM 1271 CE LYS A2090 10.933 18.164 9.007 1.00 53.44 C ATOM 1272 NZ LYS A2090 12.049 19.136 9.023 1.00 51.14 N ATOM 0 H LYS A2090 7.244 14.745 5.681 1.00 74.32 H new ATOM 0 HA LYS A2090 8.041 16.015 8.082 1.00 72.34 H new ATOM 0 HB2 LYS A2090 9.243 15.302 5.769 1.00 1.03 H new ATOM 0 HB3 LYS A2090 9.084 17.029 5.519 1.00 1.03 H new ATOM 0 HG2 LYS A2090 10.151 15.913 8.140 1.00 3.42 H new ATOM 0 HG3 LYS A2090 11.208 16.157 6.764 1.00 3.42 H new ATOM 0 HD2 LYS A2090 11.068 18.476 6.876 1.00 35.33 H new ATOM 0 HD3 LYS A2090 9.427 18.461 7.490 1.00 35.33 H new ATOM 0 HE2 LYS A2090 10.131 18.511 9.659 1.00 53.44 H new ATOM 0 HE3 LYS A2090 11.272 17.206 9.401 1.00 53.44 H new ATOM 0 HZ1 LYS A2090 12.398 19.248 9.996 1.00 51.14 H new ATOM 0 HZ2 LYS A2090 12.820 18.790 8.417 1.00 51.14 H new ATOM 0 HZ3 LYS A2090 11.715 20.054 8.667 1.00 51.14 H new ATOM 1285 N SER A2091 6.345 17.846 5.969 1.00 40.45 N ATOM 1286 CA SER A2091 5.607 19.091 5.835 1.00 14.14 C ATOM 1287 C SER A2091 4.332 18.861 5.022 1.00 24.13 C ATOM 1288 O SER A2091 3.254 19.303 5.413 1.00 21.04 O ATOM 1289 CB SER A2091 6.468 20.173 5.178 1.00 20.14 C ATOM 1290 OG SER A2091 6.383 21.417 5.869 1.00 24.34 O ATOM 0 H SER A2091 6.258 17.211 5.175 1.00 40.45 H new ATOM 0 HA SER A2091 5.335 19.436 6.833 1.00 14.14 H new ATOM 0 HB2 SER A2091 7.507 19.843 5.152 1.00 20.14 H new ATOM 0 HB3 SER A2091 6.151 20.310 4.144 1.00 20.14 H new ATOM 0 HG SER A2091 6.948 22.080 5.420 1.00 24.34 H new ATOM 1296 N GLY A2092 4.499 18.169 3.903 1.00 73.21 N ATOM 1297 CA GLY A2092 3.374 17.872 3.032 1.00 40.42 C ATOM 1298 C GLY A2092 3.700 18.227 1.579 1.00 72.54 C ATOM 1299 O GLY A2092 3.434 19.344 1.135 1.00 60.51 O ATOM 0 H GLY A2092 5.396 17.806 3.580 1.00 73.21 H new ATOM 0 HA2 GLY A2092 3.122 16.814 3.104 1.00 40.42 H new ATOM 0 HA3 GLY A2092 2.498 18.431 3.359 1.00 40.42 H new ATOM 1303 N ASN A2093 4.270 17.257 0.881 1.00 43.24 N ATOM 1304 CA ASN A2093 4.634 17.454 -0.512 1.00 22.54 C ATOM 1305 C ASN A2093 3.723 16.600 -1.398 1.00 20.44 C ATOM 1306 O ASN A2093 3.979 15.413 -1.596 1.00 14.22 O ATOM 1307 CB ASN A2093 6.080 17.025 -0.769 1.00 73.20 C ATOM 1308 CG ASN A2093 6.983 18.242 -0.977 1.00 1.23 C ATOM 1309 OD1 ASN A2093 6.738 19.094 -1.814 1.00 14.25 O ATOM 1310 ND2 ASN A2093 8.040 18.275 -0.170 1.00 64.21 N ATOM 0 H ASN A2093 4.489 16.333 1.253 1.00 43.24 H new ATOM 0 HA ASN A2093 4.526 18.514 -0.743 1.00 22.54 H new ATOM 0 HB2 ASN A2093 6.444 16.437 0.074 1.00 73.20 H new ATOM 0 HB3 ASN A2093 6.122 16.382 -1.648 1.00 73.20 H new ATOM 0 HD21 ASN A2093 8.704 19.047 -0.231 1.00 64.21 H new ATOM 0 HD22 ASN A2093 8.186 17.529 0.510 1.00 64.21 H new ATOM 1317 N VAL A2094 2.679 17.236 -1.906 1.00 73.10 N ATOM 1318 CA VAL A2094 1.730 16.550 -2.766 1.00 31.11 C ATOM 1319 C VAL A2094 2.492 15.728 -3.806 1.00 44.22 C ATOM 1320 O VAL A2094 2.152 14.575 -4.064 1.00 73.41 O ATOM 1321 CB VAL A2094 0.765 17.560 -3.390 1.00 61.41 C ATOM 1322 CG1 VAL A2094 0.148 17.005 -4.676 1.00 42.52 C ATOM 1323 CG2 VAL A2094 -0.322 17.971 -2.394 1.00 2.25 C ATOM 0 H VAL A2094 2.469 18.220 -1.739 1.00 73.10 H new ATOM 0 HA VAL A2094 1.122 15.855 -2.187 1.00 31.11 H new ATOM 0 HB VAL A2094 1.336 18.452 -3.648 1.00 61.41 H new ATOM 0 HG11 VAL A2094 -0.534 17.742 -5.100 1.00 42.52 H new ATOM 0 HG12 VAL A2094 0.938 16.787 -5.394 1.00 42.52 H new ATOM 0 HG13 VAL A2094 -0.400 16.090 -4.451 1.00 42.52 H new ATOM 0 HG21 VAL A2094 -0.994 18.689 -2.864 1.00 2.25 H new ATOM 0 HG22 VAL A2094 -0.888 17.091 -2.089 1.00 2.25 H new ATOM 0 HG23 VAL A2094 0.140 18.426 -1.518 1.00 2.25 H new ATOM 1333 N LYS A2095 3.510 16.356 -4.379 1.00 62.10 N ATOM 1334 CA LYS A2095 4.323 15.697 -5.387 1.00 35.22 C ATOM 1335 C LYS A2095 4.832 14.364 -4.834 1.00 63.44 C ATOM 1336 O LYS A2095 4.751 13.338 -5.509 1.00 55.42 O ATOM 1337 CB LYS A2095 5.438 16.628 -5.869 1.00 62.23 C ATOM 1338 CG LYS A2095 6.214 17.210 -4.686 1.00 35.13 C ATOM 1339 CD LYS A2095 7.599 16.567 -4.570 1.00 22.54 C ATOM 1340 CE LYS A2095 8.570 17.484 -3.825 1.00 61.44 C ATOM 1341 NZ LYS A2095 9.934 17.360 -4.384 1.00 65.15 N ATOM 0 H LYS A2095 3.789 17.313 -4.164 1.00 62.10 H new ATOM 0 HA LYS A2095 3.725 15.470 -6.269 1.00 35.22 H new ATOM 0 HB2 LYS A2095 6.118 16.080 -6.521 1.00 62.23 H new ATOM 0 HB3 LYS A2095 5.011 17.437 -6.462 1.00 62.23 H new ATOM 0 HG2 LYS A2095 6.319 18.288 -4.810 1.00 35.13 H new ATOM 0 HG3 LYS A2095 5.655 17.048 -3.764 1.00 35.13 H new ATOM 0 HD2 LYS A2095 7.519 15.615 -4.046 1.00 22.54 H new ATOM 0 HD3 LYS A2095 7.988 16.352 -5.565 1.00 22.54 H new ATOM 0 HE2 LYS A2095 8.233 18.518 -3.900 1.00 61.44 H new ATOM 0 HE3 LYS A2095 8.580 17.228 -2.766 1.00 61.44 H new ATOM 0 HZ1 LYS A2095 10.580 17.990 -3.866 1.00 65.15 H new ATOM 0 HZ2 LYS A2095 10.260 16.377 -4.290 1.00 65.15 H new ATOM 0 HZ3 LYS A2095 9.923 17.626 -5.389 1.00 65.15 H new ATOM 1354 N ASP A2096 5.341 14.422 -3.612 1.00 4.43 N ATOM 1355 CA ASP A2096 5.862 13.232 -2.962 1.00 14.14 C ATOM 1356 C ASP A2096 4.705 12.288 -2.633 1.00 23.32 C ATOM 1357 O ASP A2096 4.759 11.100 -2.949 1.00 40.02 O ATOM 1358 CB ASP A2096 6.571 13.584 -1.654 1.00 54.00 C ATOM 1359 CG ASP A2096 7.942 14.245 -1.819 1.00 72.53 C ATOM 1360 OD1 ASP A2096 8.629 14.047 -2.831 1.00 23.20 O ATOM 1361 OD2 ASP A2096 8.304 15.002 -0.838 1.00 61.14 O ATOM 0 H ASP A2096 5.404 15.274 -3.055 1.00 4.43 H new ATOM 0 HA ASP A2096 6.572 12.761 -3.641 1.00 14.14 H new ATOM 0 HB2 ASP A2096 5.929 14.251 -1.079 1.00 54.00 H new ATOM 0 HB3 ASP A2096 6.692 12.673 -1.067 1.00 54.00 H new ATOM 1367 N LEU A2097 3.686 12.851 -2.003 1.00 63.43 N ATOM 1368 CA LEU A2097 2.516 12.075 -1.628 1.00 73.24 C ATOM 1369 C LEU A2097 1.965 11.360 -2.864 1.00 14.51 C ATOM 1370 O LEU A2097 1.629 10.177 -2.803 1.00 42.50 O ATOM 1371 CB LEU A2097 1.488 12.960 -0.920 1.00 22.03 C ATOM 1372 CG LEU A2097 0.100 12.348 -0.717 1.00 5.44 C ATOM 1373 CD1 LEU A2097 0.193 11.014 0.026 1.00 14.24 C ATOM 1374 CD2 LEU A2097 -0.836 13.331 -0.014 1.00 42.44 C ATOM 0 H LEU A2097 3.646 13.836 -1.742 1.00 63.43 H new ATOM 0 HA LEU A2097 2.787 11.304 -0.907 1.00 73.24 H new ATOM 0 HB2 LEU A2097 1.887 13.237 0.056 1.00 22.03 H new ATOM 0 HB3 LEU A2097 1.377 13.881 -1.492 1.00 22.03 H new ATOM 0 HG LEU A2097 -0.329 12.142 -1.698 1.00 5.44 H new ATOM 0 HD11 LEU A2097 -0.807 10.600 0.157 1.00 14.24 H new ATOM 0 HD12 LEU A2097 0.801 10.318 -0.551 1.00 14.24 H new ATOM 0 HD13 LEU A2097 0.651 11.172 1.002 1.00 14.24 H new ATOM 0 HD21 LEU A2097 -1.815 12.870 0.117 1.00 42.44 H new ATOM 0 HD22 LEU A2097 -0.424 13.592 0.961 1.00 42.44 H new ATOM 0 HD23 LEU A2097 -0.937 14.232 -0.618 1.00 42.44 H new ATOM 1386 N THR A2098 1.889 12.108 -3.954 1.00 24.13 N ATOM 1387 CA THR A2098 1.385 11.560 -5.202 1.00 0.53 C ATOM 1388 C THR A2098 2.245 10.378 -5.653 1.00 70.33 C ATOM 1389 O THR A2098 1.723 9.321 -5.998 1.00 25.11 O ATOM 1390 CB THR A2098 1.327 12.695 -6.227 1.00 41.03 C ATOM 1391 OG1 THR A2098 0.195 13.463 -5.829 1.00 45.35 O ATOM 1392 CG2 THR A2098 0.968 12.200 -7.629 1.00 3.22 C ATOM 0 H THR A2098 2.168 13.088 -4.000 1.00 24.13 H new ATOM 0 HA THR A2098 0.378 11.160 -5.080 1.00 0.53 H new ATOM 0 HB THR A2098 2.289 13.206 -6.259 1.00 41.03 H new ATOM 0 HG1 THR A2098 0.455 14.084 -5.117 1.00 45.35 H new ATOM 0 HG21 THR A2098 0.940 13.045 -8.317 1.00 3.22 H new ATOM 0 HG22 THR A2098 1.717 11.483 -7.965 1.00 3.22 H new ATOM 0 HG23 THR A2098 -0.010 11.719 -7.606 1.00 3.22 H new ATOM 1400 N GLN A2099 3.552 10.597 -5.635 1.00 54.32 N ATOM 1401 CA GLN A2099 4.491 9.564 -6.036 1.00 65.15 C ATOM 1402 C GLN A2099 4.294 8.308 -5.184 1.00 5.31 C ATOM 1403 O GLN A2099 4.353 7.190 -5.696 1.00 10.42 O ATOM 1404 CB GLN A2099 5.933 10.067 -5.947 1.00 74.14 C ATOM 1405 CG GLN A2099 6.560 10.184 -7.338 1.00 61.35 C ATOM 1406 CD GLN A2099 7.469 8.990 -7.632 1.00 61.13 C ATOM 1407 OE1 GLN A2099 7.777 8.183 -6.770 1.00 75.02 O ATOM 1408 NE2 GLN A2099 7.881 8.922 -8.894 1.00 63.13 N ATOM 0 H GLN A2099 3.983 11.476 -5.348 1.00 54.32 H new ATOM 0 HA GLN A2099 4.295 9.308 -7.077 1.00 65.15 H new ATOM 0 HB2 GLN A2099 5.953 11.038 -5.452 1.00 74.14 H new ATOM 0 HB3 GLN A2099 6.523 9.385 -5.335 1.00 74.14 H new ATOM 0 HG2 GLN A2099 5.774 10.241 -8.091 1.00 61.35 H new ATOM 0 HG3 GLN A2099 7.134 11.108 -7.405 1.00 61.35 H new ATOM 0 HE21 GLN A2099 7.586 9.631 -9.566 1.00 63.13 H new ATOM 0 HE22 GLN A2099 8.492 8.161 -9.191 1.00 63.13 H new ATOM 1417 N ALA A2100 4.065 8.534 -3.898 1.00 42.41 N ATOM 1418 CA ALA A2100 3.859 7.435 -2.972 1.00 10.25 C ATOM 1419 C ALA A2100 2.540 6.734 -3.301 1.00 0.00 C ATOM 1420 O ALA A2100 2.411 5.526 -3.115 1.00 30.11 O ATOM 1421 CB ALA A2100 3.898 7.964 -1.536 1.00 63.42 C ATOM 0 H ALA A2100 4.018 9.462 -3.477 1.00 42.41 H new ATOM 0 HA ALA A2100 4.655 6.697 -3.070 1.00 10.25 H new ATOM 0 HB1 ALA A2100 3.743 7.139 -0.840 1.00 63.42 H new ATOM 0 HB2 ALA A2100 4.867 8.424 -1.344 1.00 63.42 H new ATOM 0 HB3 ALA A2100 3.111 8.706 -1.400 1.00 63.42 H new ATOM 1427 N TRP A2101 1.593 7.524 -3.785 1.00 43.14 N ATOM 1428 CA TRP A2101 0.288 6.995 -4.142 1.00 33.31 C ATOM 1429 C TRP A2101 0.445 6.176 -5.426 1.00 71.30 C ATOM 1430 O TRP A2101 -0.294 5.218 -5.648 1.00 64.14 O ATOM 1431 CB TRP A2101 -0.743 8.119 -4.273 1.00 31.51 C ATOM 1432 CG TRP A2101 -1.801 8.122 -3.167 1.00 45.33 C ATOM 1433 CD1 TRP A2101 -2.028 9.070 -2.247 1.00 34.33 C ATOM 1434 CD2 TRP A2101 -2.775 7.090 -2.904 1.00 2.33 C ATOM 1435 NE1 TRP A2101 -3.070 8.724 -1.412 1.00 61.41 N ATOM 1436 CE2 TRP A2101 -3.540 7.482 -1.825 1.00 54.20 C ATOM 1437 CE3 TRP A2101 -3.002 5.867 -3.558 1.00 5.24 C ATOM 1438 CZ2 TRP A2101 -4.582 6.707 -1.304 1.00 75.53 C ATOM 1439 CZ3 TRP A2101 -4.047 5.102 -3.025 1.00 52.44 C ATOM 1440 CH2 TRP A2101 -4.825 5.483 -1.940 1.00 74.22 C ATOM 0 H TRP A2101 1.704 8.526 -3.938 1.00 43.14 H new ATOM 0 HA TRP A2101 -0.091 6.342 -3.356 1.00 33.31 H new ATOM 0 HB2 TRP A2101 -0.224 9.077 -4.268 1.00 31.51 H new ATOM 0 HB3 TRP A2101 -1.241 8.031 -5.239 1.00 31.51 H new ATOM 0 HD1 TRP A2101 -1.466 9.989 -2.169 1.00 34.33 H new ATOM 0 HE1 TRP A2101 -3.430 9.277 -0.634 1.00 61.41 H new ATOM 0 HE3 TRP A2101 -2.416 5.542 -4.405 1.00 5.24 H new ATOM 0 HZ2 TRP A2101 -5.167 7.035 -0.457 1.00 75.53 H new ATOM 0 HZ3 TRP A2101 -4.262 4.151 -3.490 1.00 52.44 H new ATOM 0 HH2 TRP A2101 -5.616 4.837 -1.587 1.00 74.22 H new ATOM 1451 N ASP A2102 1.412 6.582 -6.234 1.00 64.35 N ATOM 1452 CA ASP A2102 1.674 5.898 -7.489 1.00 42.02 C ATOM 1453 C ASP A2102 2.290 4.528 -7.199 1.00 73.41 C ATOM 1454 O ASP A2102 1.824 3.512 -7.711 1.00 54.12 O ATOM 1455 CB ASP A2102 2.662 6.689 -8.350 1.00 20.25 C ATOM 1456 CG ASP A2102 2.342 6.711 -9.847 1.00 0.22 C ATOM 1457 OD1 ASP A2102 1.301 6.199 -10.284 1.00 51.24 O ATOM 1458 OD2 ASP A2102 3.226 7.292 -10.585 1.00 51.13 O ATOM 0 H ASP A2102 2.024 7.376 -6.045 1.00 64.35 H new ATOM 0 HA ASP A2102 0.729 5.798 -8.023 1.00 42.02 H new ATOM 0 HB2 ASP A2102 2.697 7.716 -7.986 1.00 20.25 H new ATOM 0 HB3 ASP A2102 3.658 6.268 -8.213 1.00 20.25 H new ATOM 1464 N LEU A2103 3.329 4.545 -6.377 1.00 10.45 N ATOM 1465 CA LEU A2103 4.015 3.317 -6.012 1.00 24.34 C ATOM 1466 C LEU A2103 3.005 2.332 -5.418 1.00 71.14 C ATOM 1467 O LEU A2103 2.932 1.179 -5.841 1.00 10.04 O ATOM 1468 CB LEU A2103 5.198 3.616 -5.090 1.00 72.02 C ATOM 1469 CG LEU A2103 6.188 4.669 -5.589 1.00 0.52 C ATOM 1470 CD1 LEU A2103 6.759 5.482 -4.425 1.00 70.34 C ATOM 1471 CD2 LEU A2103 7.290 4.028 -6.435 1.00 31.01 C ATOM 0 H LEU A2103 3.713 5.390 -5.953 1.00 10.45 H new ATOM 0 HA LEU A2103 4.443 2.843 -6.895 1.00 24.34 H new ATOM 0 HB2 LEU A2103 4.808 3.941 -4.125 1.00 72.02 H new ATOM 0 HB3 LEU A2103 5.742 2.687 -4.917 1.00 72.02 H new ATOM 0 HG LEU A2103 5.650 5.364 -6.233 1.00 0.52 H new ATOM 0 HD11 LEU A2103 7.460 6.223 -4.808 1.00 70.34 H new ATOM 0 HD12 LEU A2103 5.947 5.987 -3.901 1.00 70.34 H new ATOM 0 HD13 LEU A2103 7.277 4.816 -3.735 1.00 70.34 H new ATOM 0 HD21 LEU A2103 7.981 4.799 -6.777 1.00 31.01 H new ATOM 0 HD22 LEU A2103 7.831 3.297 -5.834 1.00 31.01 H new ATOM 0 HD23 LEU A2103 6.845 3.531 -7.297 1.00 31.01 H new ATOM 1483 N TYR A2104 2.250 2.823 -4.446 1.00 71.22 N ATOM 1484 CA TYR A2104 1.247 2.001 -3.788 1.00 11.43 C ATOM 1485 C TYR A2104 0.306 1.361 -4.812 1.00 14.44 C ATOM 1486 O TYR A2104 0.159 0.140 -4.846 1.00 43.43 O ATOM 1487 CB TYR A2104 0.444 2.949 -2.898 1.00 20.32 C ATOM 1488 CG TYR A2104 1.204 3.438 -1.662 1.00 31.34 C ATOM 1489 CD1 TYR A2104 2.124 2.612 -1.047 1.00 1.12 C ATOM 1490 CD2 TYR A2104 0.969 4.703 -1.163 1.00 34.05 C ATOM 1491 CE1 TYR A2104 2.839 3.071 0.114 1.00 12.43 C ATOM 1492 CE2 TYR A2104 1.686 5.162 -0.001 1.00 42.21 C ATOM 1493 CZ TYR A2104 2.585 4.324 0.581 1.00 42.14 C ATOM 1494 OH TYR A2104 3.261 4.757 1.678 1.00 50.44 O ATOM 0 H TYR A2104 2.312 3.780 -4.098 1.00 71.22 H new ATOM 0 HA TYR A2104 1.719 1.197 -3.223 1.00 11.43 H new ATOM 0 HB2 TYR A2104 0.138 3.813 -3.488 1.00 20.32 H new ATOM 0 HB3 TYR A2104 -0.467 2.444 -2.576 1.00 20.32 H new ATOM 0 HD1 TYR A2104 2.307 1.622 -1.437 1.00 1.12 H new ATOM 0 HD2 TYR A2104 0.248 5.348 -1.643 1.00 34.05 H new ATOM 0 HE1 TYR A2104 3.561 2.435 0.604 1.00 12.43 H new ATOM 0 HE2 TYR A2104 1.513 6.150 0.399 1.00 42.21 H new ATOM 0 HH TYR A2104 2.979 5.670 1.897 1.00 50.44 H new ATOM 1504 N TYR A2105 -0.305 2.214 -5.620 1.00 35.42 N ATOM 1505 CA TYR A2105 -1.226 1.748 -6.641 1.00 53.00 C ATOM 1506 C TYR A2105 -0.610 0.611 -7.460 1.00 35.04 C ATOM 1507 O TYR A2105 -1.297 -0.344 -7.817 1.00 25.13 O ATOM 1508 CB TYR A2105 -1.477 2.944 -7.562 1.00 63.32 C ATOM 1509 CG TYR A2105 -2.878 2.973 -8.177 1.00 44.12 C ATOM 1510 CD1 TYR A2105 -3.513 1.792 -8.502 1.00 4.24 C ATOM 1511 CD2 TYR A2105 -3.506 4.179 -8.407 1.00 73.13 C ATOM 1512 CE1 TYR A2105 -4.831 1.818 -9.081 1.00 32.21 C ATOM 1513 CE2 TYR A2105 -4.825 4.206 -8.984 1.00 1.54 C ATOM 1514 CZ TYR A2105 -5.422 3.023 -9.293 1.00 42.32 C ATOM 1515 OH TYR A2105 -6.667 3.050 -9.840 1.00 42.42 O ATOM 0 H TYR A2105 -0.180 3.226 -5.588 1.00 35.42 H new ATOM 0 HA TYR A2105 -2.142 1.371 -6.186 1.00 53.00 H new ATOM 0 HB2 TYR A2105 -1.320 3.863 -6.998 1.00 63.32 H new ATOM 0 HB3 TYR A2105 -0.739 2.933 -8.364 1.00 63.32 H new ATOM 0 HD1 TYR A2105 -3.021 0.848 -8.322 1.00 4.24 H new ATOM 0 HD2 TYR A2105 -3.008 5.104 -8.154 1.00 73.13 H new ATOM 0 HE1 TYR A2105 -5.338 0.901 -9.341 1.00 32.21 H new ATOM 0 HE2 TYR A2105 -5.329 5.144 -9.167 1.00 1.54 H new ATOM 0 HH TYR A2105 -6.964 3.979 -9.932 1.00 42.42 H new ATOM 1525 N HIS A2106 0.680 0.752 -7.728 1.00 20.22 N ATOM 1526 CA HIS A2106 1.396 -0.252 -8.498 1.00 73.23 C ATOM 1527 C HIS A2106 1.340 -1.596 -7.767 1.00 20.31 C ATOM 1528 O HIS A2106 0.988 -2.615 -8.361 1.00 63.03 O ATOM 1529 CB HIS A2106 2.828 0.204 -8.786 1.00 12.11 C ATOM 1530 CG HIS A2106 3.223 0.105 -10.240 1.00 71.42 C ATOM 1531 ND1 HIS A2106 4.022 1.046 -10.867 1.00 71.44 N ATOM 1532 CD2 HIS A2106 2.923 -0.835 -11.183 1.00 71.05 C ATOM 1533 CE1 HIS A2106 4.186 0.680 -12.129 1.00 1.32 C ATOM 1534 NE2 HIS A2106 3.505 -0.485 -12.323 1.00 21.23 N ATOM 0 H HIS A2106 1.247 1.544 -7.427 1.00 20.22 H new ATOM 0 HA HIS A2106 0.915 -0.383 -9.467 1.00 73.23 H new ATOM 0 HB2 HIS A2106 2.942 1.237 -8.459 1.00 12.11 H new ATOM 0 HB3 HIS A2106 3.516 -0.397 -8.191 1.00 12.11 H new ATOM 0 HD2 HIS A2106 2.315 -1.714 -11.028 1.00 71.05 H new ATOM 0 HE1 HIS A2106 4.759 1.211 -12.874 1.00 1.32 H new ATOM 0 HE2 HIS A2106 3.452 -1.003 -13.200 1.00 21.23 H new ATOM 1543 N VAL A2107 1.691 -1.555 -6.491 1.00 33.02 N ATOM 1544 CA VAL A2107 1.683 -2.756 -5.673 1.00 1.12 C ATOM 1545 C VAL A2107 0.238 -3.182 -5.412 1.00 64.44 C ATOM 1546 O VAL A2107 -0.114 -4.346 -5.599 1.00 51.43 O ATOM 1547 CB VAL A2107 2.479 -2.518 -4.387 1.00 25.51 C ATOM 1548 CG1 VAL A2107 3.573 -1.473 -4.604 1.00 34.33 C ATOM 1549 CG2 VAL A2107 1.552 -2.113 -3.238 1.00 64.00 C ATOM 0 H VAL A2107 1.983 -0.709 -6.003 1.00 33.02 H new ATOM 0 HA VAL A2107 2.173 -3.577 -6.196 1.00 1.12 H new ATOM 0 HB VAL A2107 2.963 -3.455 -4.113 1.00 25.51 H new ATOM 0 HG11 VAL A2107 4.123 -1.323 -3.675 1.00 34.33 H new ATOM 0 HG12 VAL A2107 4.257 -1.818 -5.379 1.00 34.33 H new ATOM 0 HG13 VAL A2107 3.120 -0.531 -4.913 1.00 34.33 H new ATOM 0 HG21 VAL A2107 2.141 -1.950 -2.336 1.00 64.00 H new ATOM 0 HG22 VAL A2107 1.027 -1.194 -3.500 1.00 64.00 H new ATOM 0 HG23 VAL A2107 0.826 -2.906 -3.059 1.00 64.00 H new ATOM 1559 N PHE A2108 -0.563 -2.217 -4.985 1.00 14.50 N ATOM 1560 CA PHE A2108 -1.963 -2.476 -4.697 1.00 71.44 C ATOM 1561 C PHE A2108 -2.691 -2.991 -5.940 1.00 53.34 C ATOM 1562 O PHE A2108 -3.638 -3.769 -5.832 1.00 12.43 O ATOM 1563 CB PHE A2108 -2.586 -1.148 -4.266 1.00 12.54 C ATOM 1564 CG PHE A2108 -2.518 -0.888 -2.761 1.00 51.42 C ATOM 1565 CD1 PHE A2108 -1.426 -0.280 -2.223 1.00 11.11 C ATOM 1566 CD2 PHE A2108 -3.551 -1.261 -1.959 1.00 33.54 C ATOM 1567 CE1 PHE A2108 -1.363 -0.039 -0.825 1.00 4.54 C ATOM 1568 CE2 PHE A2108 -3.489 -1.020 -0.560 1.00 3.03 C ATOM 1569 CZ PHE A2108 -2.395 -0.415 -0.023 1.00 62.41 C ATOM 0 H PHE A2108 -0.268 -1.253 -4.831 1.00 14.50 H new ATOM 0 HA PHE A2108 -2.049 -3.234 -3.919 1.00 71.44 H new ATOM 0 HB2 PHE A2108 -2.081 -0.335 -4.788 1.00 12.54 H new ATOM 0 HB3 PHE A2108 -3.629 -1.129 -4.581 1.00 12.54 H new ATOM 0 HD1 PHE A2108 -0.607 0.019 -2.860 1.00 11.11 H new ATOM 0 HD2 PHE A2108 -4.419 -1.741 -2.386 1.00 33.54 H new ATOM 0 HE1 PHE A2108 -0.496 0.443 -0.399 1.00 4.54 H new ATOM 0 HE2 PHE A2108 -4.310 -1.317 0.076 1.00 3.03 H new ATOM 0 HZ PHE A2108 -2.346 -0.233 1.040 1.00 62.41 H new ATOM 1579 N ARG A2109 -2.225 -2.533 -7.092 1.00 50.51 N ATOM 1580 CA ARG A2109 -2.820 -2.934 -8.355 1.00 74.34 C ATOM 1581 C ARG A2109 -2.341 -4.334 -8.746 1.00 51.01 C ATOM 1582 O ARG A2109 -3.099 -5.115 -9.319 1.00 14.14 O ATOM 1583 CB ARG A2109 -2.463 -1.950 -9.471 1.00 41.22 C ATOM 1584 CG ARG A2109 -3.054 -2.401 -10.808 1.00 74.43 C ATOM 1585 CD ARG A2109 -4.156 -1.446 -11.270 1.00 72.30 C ATOM 1586 NE ARG A2109 -4.584 -1.790 -12.644 1.00 60.23 N ATOM 1587 CZ ARG A2109 -3.857 -1.529 -13.751 1.00 63.01 C ATOM 1588 NH1 ARG A2109 -2.657 -0.917 -13.653 1.00 64.43 N ATOM 1589 NH2 ARG A2109 -4.335 -1.882 -14.929 1.00 4.11 N ATOM 0 H ARG A2109 -1.441 -1.887 -7.177 1.00 50.51 H new ATOM 0 HA ARG A2109 -3.902 -2.939 -8.224 1.00 74.34 H new ATOM 0 HB2 ARG A2109 -2.838 -0.958 -9.220 1.00 41.22 H new ATOM 0 HB3 ARG A2109 -1.379 -1.869 -9.557 1.00 41.22 H new ATOM 0 HG2 ARG A2109 -2.267 -2.446 -11.561 1.00 74.43 H new ATOM 0 HG3 ARG A2109 -3.458 -3.408 -10.710 1.00 74.43 H new ATOM 0 HD2 ARG A2109 -5.006 -1.504 -10.591 1.00 72.30 H new ATOM 0 HD3 ARG A2109 -3.794 -0.418 -11.240 1.00 72.30 H new ATOM 0 HE ARG A2109 -5.485 -2.253 -12.762 1.00 60.23 H new ATOM 0 HH11 ARG A2109 -2.294 -0.649 -12.738 1.00 64.43 H new ATOM 0 HH12 ARG A2109 -2.113 -0.723 -14.494 1.00 64.43 H new ATOM 0 HH21 ARG A2109 -5.242 -2.345 -14.994 1.00 4.11 H new ATOM 0 HH22 ARG A2109 -3.798 -1.692 -15.775 1.00 4.11 H new ATOM 1601 N ARG A2110 -1.087 -4.607 -8.419 1.00 23.24 N ATOM 1602 CA ARG A2110 -0.498 -5.900 -8.728 1.00 1.44 C ATOM 1603 C ARG A2110 -1.214 -7.009 -7.956 1.00 53.01 C ATOM 1604 O ARG A2110 -1.628 -8.009 -8.539 1.00 41.30 O ATOM 1605 CB ARG A2110 0.993 -5.923 -8.379 1.00 3.31 C ATOM 1606 CG ARG A2110 1.772 -6.801 -9.361 1.00 61.30 C ATOM 1607 CD ARG A2110 1.575 -8.285 -9.046 1.00 31.40 C ATOM 1608 NE ARG A2110 2.857 -9.008 -9.184 1.00 52.43 N ATOM 1609 CZ ARG A2110 3.047 -10.294 -8.821 1.00 72.14 C ATOM 1610 NH1 ARG A2110 2.032 -11.011 -8.294 1.00 20.43 N ATOM 1611 NH2 ARG A2110 4.236 -10.840 -8.991 1.00 75.25 N ATOM 0 H ARG A2110 -0.462 -3.956 -7.943 1.00 23.24 H new ATOM 0 HA ARG A2110 -0.612 -6.069 -9.799 1.00 1.44 H new ATOM 0 HB2 ARG A2110 1.391 -4.908 -8.399 1.00 3.31 H new ATOM 0 HB3 ARG A2110 1.127 -6.298 -7.365 1.00 3.31 H new ATOM 0 HG2 ARG A2110 1.442 -6.595 -10.379 1.00 61.30 H new ATOM 0 HG3 ARG A2110 2.832 -6.553 -9.313 1.00 61.30 H new ATOM 0 HD2 ARG A2110 1.190 -8.402 -8.033 1.00 31.40 H new ATOM 0 HD3 ARG A2110 0.833 -8.713 -9.720 1.00 31.40 H new ATOM 0 HE ARG A2110 3.650 -8.502 -9.579 1.00 52.43 H new ATOM 0 HH11 ARG A2110 1.116 -10.581 -8.168 1.00 20.43 H new ATOM 0 HH12 ARG A2110 2.182 -11.982 -8.022 1.00 20.43 H new ATOM 0 HH21 ARG A2110 4.997 -10.291 -9.392 1.00 75.25 H new ATOM 0 HH22 ARG A2110 4.395 -11.811 -8.721 1.00 75.25 H new ATOM 1623 N ILE A2111 -1.337 -6.794 -6.653 1.00 63.52 N ATOM 1624 CA ILE A2111 -1.996 -7.763 -5.796 1.00 33.34 C ATOM 1625 C ILE A2111 -3.321 -8.184 -6.432 1.00 23.11 C ATOM 1626 O ILE A2111 -3.724 -9.342 -6.328 1.00 34.33 O ATOM 1627 CB ILE A2111 -2.144 -7.209 -4.377 1.00 61.11 C ATOM 1628 CG1 ILE A2111 -2.733 -5.797 -4.399 1.00 62.44 C ATOM 1629 CG2 ILE A2111 -0.812 -7.263 -3.627 1.00 75.43 C ATOM 1630 CD1 ILE A2111 -3.010 -5.297 -2.980 1.00 64.11 C ATOM 0 H ILE A2111 -0.991 -5.964 -6.172 1.00 63.52 H new ATOM 0 HA ILE A2111 -1.388 -8.663 -5.702 1.00 33.34 H new ATOM 0 HB ILE A2111 -2.846 -7.842 -3.834 1.00 61.11 H new ATOM 0 HG12 ILE A2111 -2.042 -5.118 -4.899 1.00 62.44 H new ATOM 0 HG13 ILE A2111 -3.657 -5.794 -4.977 1.00 62.44 H new ATOM 0 HG21 ILE A2111 -0.944 -6.864 -2.621 1.00 75.43 H new ATOM 0 HG22 ILE A2111 -0.471 -8.296 -3.565 1.00 75.43 H new ATOM 0 HG23 ILE A2111 -0.070 -6.667 -4.159 1.00 75.43 H new ATOM 0 HD11 ILE A2111 -3.428 -4.291 -3.024 1.00 64.11 H new ATOM 0 HD12 ILE A2111 -3.720 -5.964 -2.491 1.00 64.11 H new ATOM 0 HD13 ILE A2111 -2.080 -5.279 -2.413 1.00 64.11 H new ATOM 1642 N SER A2112 -3.962 -7.222 -7.079 1.00 42.23 N ATOM 1643 CA SER A2112 -5.235 -7.480 -7.732 1.00 45.25 C ATOM 1644 C SER A2112 -5.000 -8.142 -9.091 1.00 53.31 C ATOM 1645 O SER A2112 -5.690 -9.097 -9.448 1.00 52.53 O ATOM 1646 CB SER A2112 -6.036 -6.187 -7.904 1.00 21.44 C ATOM 1647 OG SER A2112 -5.196 -5.067 -8.164 1.00 22.41 O ATOM 0 H SER A2112 -3.624 -6.263 -7.165 1.00 42.23 H new ATOM 0 HA SER A2112 -5.814 -8.154 -7.101 1.00 45.25 H new ATOM 0 HB2 SER A2112 -6.744 -6.306 -8.724 1.00 21.44 H new ATOM 0 HB3 SER A2112 -6.620 -6.000 -7.003 1.00 21.44 H new ATOM 0 HG SER A2112 -4.553 -5.297 -8.867 1.00 22.41 H new ATOM 1653 N LYS A2113 -4.025 -7.609 -9.812 1.00 23.12 N ATOM 1654 CA LYS A2113 -3.691 -8.137 -11.125 1.00 53.23 C ATOM 1655 C LYS A2113 -3.583 -9.661 -11.044 1.00 13.44 C ATOM 1656 O LYS A2113 -2.919 -10.194 -10.156 1.00 50.04 O ATOM 1657 CB LYS A2113 -2.433 -7.460 -11.671 1.00 3.53 C ATOM 1658 CG LYS A2113 -2.699 -6.826 -13.038 1.00 61.12 C ATOM 1659 CD LYS A2113 -2.942 -5.321 -12.906 1.00 55.22 C ATOM 1660 CE LYS A2113 -3.767 -4.793 -14.083 1.00 70.44 C ATOM 1661 NZ LYS A2113 -5.133 -4.438 -13.638 1.00 44.31 N ATOM 0 H LYS A2113 -3.455 -6.817 -9.513 1.00 23.12 H new ATOM 0 HA LYS A2113 -4.482 -7.910 -11.839 1.00 53.23 H new ATOM 0 HB2 LYS A2113 -2.095 -6.696 -10.972 1.00 3.53 H new ATOM 0 HB3 LYS A2113 -1.630 -8.192 -11.756 1.00 3.53 H new ATOM 0 HG2 LYS A2113 -1.849 -7.004 -13.697 1.00 61.12 H new ATOM 0 HG3 LYS A2113 -3.566 -7.299 -13.500 1.00 61.12 H new ATOM 0 HD2 LYS A2113 -3.462 -5.114 -11.971 1.00 55.22 H new ATOM 0 HD3 LYS A2113 -1.987 -4.797 -12.863 1.00 55.22 H new ATOM 0 HE2 LYS A2113 -3.279 -3.919 -14.514 1.00 70.44 H new ATOM 0 HE3 LYS A2113 -3.818 -5.548 -14.867 1.00 70.44 H new ATOM 0 HZ1 LYS A2113 -5.512 -3.686 -14.248 1.00 44.31 H new ATOM 0 HZ2 LYS A2113 -5.747 -5.275 -13.699 1.00 44.31 H new ATOM 0 HZ3 LYS A2113 -5.101 -4.103 -12.654 1.00 44.31 H new ATOM 1674 N GLN A2114 -4.244 -10.321 -11.985 1.00 73.14 N ATOM 1675 CA GLN A2114 -4.231 -11.772 -12.030 1.00 13.23 C ATOM 1676 C GLN A2114 -4.775 -12.265 -13.373 1.00 30.04 C ATOM 1677 O GLN A2114 -4.012 -12.477 -14.316 1.00 41.02 O ATOM 1678 CB GLN A2114 -5.027 -12.365 -10.866 1.00 53.43 C ATOM 1679 CG GLN A2114 -4.094 -12.998 -9.830 1.00 30.12 C ATOM 1680 CD GLN A2114 -3.903 -14.491 -10.104 1.00 3.23 C ATOM 1681 OE1 GLN A2114 -4.821 -15.290 -10.001 1.00 10.21 O ATOM 1682 NE2 GLN A2114 -2.664 -14.823 -10.457 1.00 62.24 N ATOM 0 H GLN A2114 -4.792 -9.876 -12.722 1.00 73.14 H new ATOM 0 HA GLN A2114 -3.199 -12.110 -11.930 1.00 13.23 H new ATOM 0 HB2 GLN A2114 -5.624 -11.585 -10.394 1.00 53.43 H new ATOM 0 HB3 GLN A2114 -5.722 -13.116 -11.241 1.00 53.43 H new ATOM 0 HG2 GLN A2114 -3.128 -12.494 -9.850 1.00 30.12 H new ATOM 0 HG3 GLN A2114 -4.506 -12.858 -8.831 1.00 30.12 H new ATOM 0 HE21 GLN A2114 -1.943 -14.105 -10.524 1.00 62.24 H new ATOM 0 HE22 GLN A2114 -2.435 -15.796 -10.661 1.00 62.24 H new TER 1691 GLN A2114