USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2026 MET CE :methyl 136:sc= -6.26! (180deg=-4.72!) USER MOD Set 1.2: A2057 MET CE :methyl -179:sc= -4.49! (180deg=-2.64!) USER MOD Set 1.3: A2058 MET CE :methyl -173:sc= -18.7! (180deg=-14.5!) USER MOD Single : A2014 MET CE :methyl -162:sc= 0 (180deg=-0.0895) USER MOD Single : A2024 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-6.1!) USER MOD Single : A2028 HIS : no HD1:sc= -6.69! C(o=-6.7!,f=-9.9!) USER MOD Single : A2035 SER OG : rot -77:sc= 0.805 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -3.63! C(o=-3.6!,f=-5!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -145:sc= -5.65! (180deg=-10.9!) USER MOD Single : A2055 HIS : no HD1:sc= -4.29! K(o=-4.3!,f=-1.6) USER MOD Single : A2063 GLN : amide:sc= -1.29 K(o=-1.3,f=0.25) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 85:sc= 1.05 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.365 K(o=-0.37,f=-2) USER MOD Single : A2072 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2074 TYR OH : rot -40:sc= -1.36 USER MOD Single : A2079 MET CE :methyl 149:sc= -1.15 (180deg=-2.28!) USER MOD Single : A2082 GLN : amide:sc=-0.00282 X(o=-0.0028,f=0) USER MOD Single : A2085 CYS SG : rot 55:sc= 1.7 USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 0:sc= -2.9! USER MOD Single : A2089 MET CE :methyl 142:sc= -0.195 (180deg=-0.965) 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= -0.0122 X(o=-0.012,f=-0.12) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 79:sc= 0.0316 USER MOD Single : A2099 GLN : amide:sc= -0.238 K(o=-0.24,f=-3.4!) USER MOD Single : A2104 TYR OH : rot 30:sc= -0.213 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.4) USER MOD Single : A2112 SER OG : rot 180:sc= 0 USER MOD Single : A2113 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.11) USER MOD Single : A2114 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -10.941 -7.044 -13.015 1.00 4.11 N ATOM 2 CA MET A2014 -11.522 -8.117 -12.225 1.00 14.41 C ATOM 3 C MET A2014 -11.879 -9.315 -13.107 1.00 63.33 C ATOM 4 O MET A2014 -13.009 -9.425 -13.582 1.00 71.23 O ATOM 5 CB MET A2014 -12.779 -7.609 -11.518 1.00 15.22 C ATOM 6 CG MET A2014 -12.648 -7.749 -9.999 1.00 23.13 C ATOM 7 SD MET A2014 -12.698 -6.139 -9.231 1.00 14.02 S ATOM 8 CE MET A2014 -12.750 -6.618 -7.512 1.00 11.13 C ATOM 0 HA MET A2014 -10.787 -8.439 -11.488 1.00 14.41 H new ATOM 0 HB2 MET A2014 -12.949 -6.564 -11.777 1.00 15.22 H new ATOM 0 HB3 MET A2014 -13.647 -8.169 -11.865 1.00 15.22 H new ATOM 0 HG2 MET A2014 -13.455 -8.371 -9.612 1.00 23.13 H new ATOM 0 HG3 MET A2014 -11.712 -8.250 -9.751 1.00 23.13 H new ATOM 0 HE1 MET A2014 -13.101 -5.779 -6.911 1.00 11.13 H new ATOM 0 HE2 MET A2014 -13.430 -7.461 -7.390 1.00 11.13 H new ATOM 0 HE3 MET A2014 -11.751 -6.907 -7.184 1.00 11.13 H new ATOM 18 N GLU A2015 -10.897 -10.183 -13.298 1.00 72.22 N ATOM 19 CA GLU A2015 -11.095 -11.369 -14.114 1.00 1.30 C ATOM 20 C GLU A2015 -11.629 -12.519 -13.258 1.00 55.22 C ATOM 21 O GLU A2015 -12.260 -13.440 -13.774 1.00 2.01 O ATOM 22 CB GLU A2015 -9.800 -11.770 -14.824 1.00 73.54 C ATOM 23 CG GLU A2015 -10.072 -12.796 -15.924 1.00 51.41 C ATOM 24 CD GLU A2015 -9.735 -12.225 -17.303 1.00 3.23 C ATOM 25 OE1 GLU A2015 -9.934 -11.025 -17.541 1.00 40.33 O ATOM 26 OE2 GLU A2015 -9.250 -13.076 -18.142 1.00 12.14 O ATOM 0 H GLU A2015 -9.962 -10.089 -12.902 1.00 72.22 H new ATOM 0 HA GLU A2015 -11.834 -11.138 -14.881 1.00 1.30 H new ATOM 0 HB2 GLU A2015 -9.329 -10.886 -15.255 1.00 73.54 H new ATOM 0 HB3 GLU A2015 -9.098 -12.185 -14.101 1.00 73.54 H new ATOM 0 HG2 GLU A2015 -9.480 -13.693 -15.744 1.00 51.41 H new ATOM 0 HG3 GLU A2015 -11.120 -13.095 -15.896 1.00 51.41 H new ATOM 34 N LEU A2016 -11.355 -12.428 -11.965 1.00 24.34 N ATOM 35 CA LEU A2016 -11.801 -13.450 -11.033 1.00 33.33 C ATOM 36 C LEU A2016 -11.947 -12.835 -9.640 1.00 3.43 C ATOM 37 O LEU A2016 -11.164 -11.967 -9.256 1.00 14.22 O ATOM 38 CB LEU A2016 -10.864 -14.660 -11.075 1.00 72.15 C ATOM 39 CG LEU A2016 -11.530 -16.030 -10.937 1.00 21.02 C ATOM 40 CD1 LEU A2016 -11.827 -16.350 -9.472 1.00 33.25 C ATOM 41 CD2 LEU A2016 -12.784 -16.120 -11.809 1.00 71.44 C ATOM 0 H LEU A2016 -10.830 -11.663 -11.541 1.00 24.34 H new ATOM 0 HA LEU A2016 -12.783 -13.825 -11.321 1.00 33.33 H new ATOM 0 HB2 LEU A2016 -10.316 -14.638 -12.017 1.00 72.15 H new ATOM 0 HB3 LEU A2016 -10.129 -14.553 -10.277 1.00 72.15 H new ATOM 0 HG LEU A2016 -10.833 -16.787 -11.297 1.00 21.02 H new ATOM 0 HD11 LEU A2016 -12.300 -17.329 -9.402 1.00 33.25 H new ATOM 0 HD12 LEU A2016 -10.896 -16.356 -8.905 1.00 33.25 H new ATOM 0 HD13 LEU A2016 -12.497 -15.593 -9.063 1.00 33.25 H new ATOM 0 HD21 LEU A2016 -13.238 -17.104 -11.692 1.00 71.44 H new ATOM 0 HD22 LEU A2016 -13.496 -15.353 -11.503 1.00 71.44 H new ATOM 0 HD23 LEU A2016 -12.513 -15.967 -12.854 1.00 71.44 H new ATOM 53 N ILE A2017 -12.955 -13.307 -8.922 1.00 21.05 N ATOM 54 CA ILE A2017 -13.215 -12.814 -7.580 1.00 61.12 C ATOM 55 C ILE A2017 -11.897 -12.739 -6.805 1.00 23.21 C ATOM 56 O ILE A2017 -10.923 -13.394 -7.168 1.00 3.25 O ATOM 57 CB ILE A2017 -14.285 -13.664 -6.893 1.00 2.32 C ATOM 58 CG1 ILE A2017 -15.452 -12.798 -6.414 1.00 51.23 C ATOM 59 CG2 ILE A2017 -13.681 -14.494 -5.758 1.00 13.10 C ATOM 60 CD1 ILE A2017 -16.732 -13.624 -6.287 1.00 24.43 C ATOM 0 H ILE A2017 -13.602 -14.026 -9.244 1.00 21.05 H new ATOM 0 HA ILE A2017 -13.622 -11.803 -7.618 1.00 61.12 H new ATOM 0 HB ILE A2017 -14.686 -14.365 -7.625 1.00 2.32 H new ATOM 0 HG12 ILE A2017 -15.206 -12.351 -5.451 1.00 51.23 H new ATOM 0 HG13 ILE A2017 -15.612 -11.978 -7.114 1.00 51.23 H new ATOM 0 HG21 ILE A2017 -14.463 -15.089 -5.286 1.00 13.10 H new ATOM 0 HG22 ILE A2017 -12.914 -15.156 -6.160 1.00 13.10 H new ATOM 0 HG23 ILE A2017 -13.235 -13.829 -5.018 1.00 13.10 H new ATOM 0 HD11 ILE A2017 -17.545 -12.984 -5.945 1.00 24.43 H new ATOM 0 HD12 ILE A2017 -16.988 -14.049 -7.257 1.00 24.43 H new ATOM 0 HD13 ILE A2017 -16.576 -14.428 -5.568 1.00 24.43 H new ATOM 72 N ARG A2018 -11.912 -11.936 -5.752 1.00 45.03 N ATOM 73 CA ARG A2018 -10.731 -11.767 -4.923 1.00 34.33 C ATOM 74 C ARG A2018 -10.964 -12.374 -3.538 1.00 71.23 C ATOM 75 O ARG A2018 -11.903 -11.994 -2.840 1.00 14.32 O ATOM 76 CB ARG A2018 -10.372 -10.287 -4.771 1.00 35.32 C ATOM 77 CG ARG A2018 -10.100 -9.646 -6.134 1.00 33.51 C ATOM 78 CD ARG A2018 -8.597 -9.506 -6.383 1.00 43.00 C ATOM 79 NE ARG A2018 -8.063 -10.757 -6.966 1.00 43.42 N ATOM 80 CZ ARG A2018 -6.775 -11.151 -6.860 1.00 30.35 C ATOM 81 NH1 ARG A2018 -5.879 -10.394 -6.193 1.00 74.25 N ATOM 82 NH2 ARG A2018 -6.408 -12.289 -7.421 1.00 1.33 N ATOM 0 H ARG A2018 -12.724 -11.395 -5.454 1.00 45.03 H new ATOM 0 HA ARG A2018 -9.904 -12.281 -5.414 1.00 34.33 H new ATOM 0 HB2 ARG A2018 -11.187 -9.761 -4.274 1.00 35.32 H new ATOM 0 HB3 ARG A2018 -9.492 -10.186 -4.135 1.00 35.32 H new ATOM 0 HG2 ARG A2018 -10.548 -10.253 -6.921 1.00 33.51 H new ATOM 0 HG3 ARG A2018 -10.573 -8.665 -6.180 1.00 33.51 H new ATOM 0 HD2 ARG A2018 -8.408 -8.671 -7.057 1.00 43.00 H new ATOM 0 HD3 ARG A2018 -8.084 -9.283 -5.447 1.00 43.00 H new ATOM 0 HE ARG A2018 -8.707 -11.359 -7.479 1.00 43.42 H new ATOM 0 HH11 ARG A2018 -6.172 -9.516 -5.764 1.00 74.25 H new ATOM 0 HH12 ARG A2018 -4.909 -10.699 -6.118 1.00 74.25 H new ATOM 0 HH21 ARG A2018 -7.093 -12.854 -7.924 1.00 1.33 H new ATOM 0 HH22 ARG A2018 -5.440 -12.603 -7.352 1.00 1.33 H new ATOM 94 N VAL A2019 -10.093 -13.306 -3.182 1.00 1.31 N ATOM 95 CA VAL A2019 -10.192 -13.969 -1.892 1.00 2.21 C ATOM 96 C VAL A2019 -10.578 -12.943 -0.824 1.00 51.42 C ATOM 97 O VAL A2019 -10.000 -11.858 -0.764 1.00 41.22 O ATOM 98 CB VAL A2019 -8.885 -14.699 -1.577 1.00 53.34 C ATOM 99 CG1 VAL A2019 -7.681 -13.770 -1.757 1.00 62.32 C ATOM 100 CG2 VAL A2019 -8.912 -15.289 -0.166 1.00 22.41 C ATOM 0 H VAL A2019 -9.315 -13.618 -3.764 1.00 1.31 H new ATOM 0 HA VAL A2019 -10.975 -14.727 -1.911 1.00 2.21 H new ATOM 0 HB VAL A2019 -8.784 -15.523 -2.284 1.00 53.34 H new ATOM 0 HG11 VAL A2019 -6.765 -14.313 -1.527 1.00 62.32 H new ATOM 0 HG12 VAL A2019 -7.645 -13.417 -2.788 1.00 62.32 H new ATOM 0 HG13 VAL A2019 -7.776 -12.917 -1.085 1.00 62.32 H new ATOM 0 HG21 VAL A2019 -7.971 -15.802 0.032 1.00 22.41 H new ATOM 0 HG22 VAL A2019 -9.048 -14.488 0.561 1.00 22.41 H new ATOM 0 HG23 VAL A2019 -9.736 -15.998 -0.084 1.00 22.41 H new ATOM 110 N PRO A2020 -11.576 -13.332 0.014 1.00 1.24 N ATOM 111 CA PRO A2020 -12.043 -12.458 1.075 1.00 72.52 C ATOM 112 C PRO A2020 -11.043 -12.416 2.231 1.00 33.41 C ATOM 113 O PRO A2020 -10.833 -11.366 2.837 1.00 5.40 O ATOM 114 CB PRO A2020 -13.396 -13.023 1.481 1.00 3.22 C ATOM 115 CG PRO A2020 -13.425 -14.450 0.959 1.00 73.34 C ATOM 116 CD PRO A2020 -12.281 -14.609 -0.028 1.00 63.23 C ATOM 0 HA PRO A2020 -12.138 -11.420 0.755 1.00 72.52 H new ATOM 0 HB2 PRO A2020 -13.520 -13.001 2.564 1.00 3.22 H new ATOM 0 HB3 PRO A2020 -14.209 -12.435 1.055 1.00 3.22 H new ATOM 0 HG2 PRO A2020 -13.322 -15.159 1.780 1.00 73.34 H new ATOM 0 HG3 PRO A2020 -14.379 -14.660 0.475 1.00 73.34 H new ATOM 0 HD2 PRO A2020 -11.626 -15.433 0.255 1.00 63.23 H new ATOM 0 HD3 PRO A2020 -12.650 -14.825 -1.031 1.00 63.23 H new ATOM 124 N ILE A2021 -10.452 -13.571 2.504 1.00 42.51 N ATOM 125 CA ILE A2021 -9.479 -13.678 3.576 1.00 12.21 C ATOM 126 C ILE A2021 -8.076 -13.807 2.977 1.00 14.13 C ATOM 127 O ILE A2021 -7.670 -14.892 2.566 1.00 31.13 O ATOM 128 CB ILE A2021 -9.849 -14.821 4.524 1.00 51.11 C ATOM 129 CG1 ILE A2021 -9.804 -16.169 3.800 1.00 61.10 C ATOM 130 CG2 ILE A2021 -11.206 -14.570 5.182 1.00 52.33 C ATOM 131 CD1 ILE A2021 -8.586 -16.985 4.239 1.00 42.10 C ATOM 0 H ILE A2021 -10.629 -14.440 2.000 1.00 42.51 H new ATOM 0 HA ILE A2021 -9.484 -12.774 4.185 1.00 12.21 H new ATOM 0 HB ILE A2021 -9.107 -14.858 5.321 1.00 51.11 H new ATOM 0 HG12 ILE A2021 -10.716 -16.729 4.008 1.00 61.10 H new ATOM 0 HG13 ILE A2021 -9.769 -16.007 2.723 1.00 61.10 H new ATOM 0 HG21 ILE A2021 -11.445 -15.397 5.851 1.00 52.33 H new ATOM 0 HG22 ILE A2021 -11.168 -13.642 5.752 1.00 52.33 H new ATOM 0 HG23 ILE A2021 -11.974 -14.492 4.413 1.00 52.33 H new ATOM 0 HD11 ILE A2021 -8.577 -17.938 3.710 1.00 42.10 H new ATOM 0 HD12 ILE A2021 -7.675 -16.433 4.007 1.00 42.10 H new ATOM 0 HD13 ILE A2021 -8.637 -17.166 5.313 1.00 42.10 H new ATOM 143 N LEU A2022 -7.376 -12.682 2.945 1.00 61.43 N ATOM 144 CA LEU A2022 -6.029 -12.654 2.402 1.00 24.13 C ATOM 145 C LEU A2022 -5.466 -11.237 2.514 1.00 32.21 C ATOM 146 O LEU A2022 -6.215 -10.282 2.717 1.00 62.25 O ATOM 147 CB LEU A2022 -6.014 -13.212 0.977 1.00 73.35 C ATOM 148 CG LEU A2022 -4.853 -14.148 0.635 1.00 23.03 C ATOM 149 CD1 LEU A2022 -3.574 -13.357 0.354 1.00 63.34 C ATOM 150 CD2 LEU A2022 -4.650 -15.194 1.733 1.00 40.21 C ATOM 0 H LEU A2022 -7.717 -11.783 3.286 1.00 61.43 H new ATOM 0 HA LEU A2022 -5.372 -13.303 2.981 1.00 24.13 H new ATOM 0 HB2 LEU A2022 -6.948 -13.748 0.808 1.00 73.35 H new ATOM 0 HB3 LEU A2022 -5.996 -12.374 0.280 1.00 73.35 H new ATOM 0 HG LEU A2022 -5.106 -14.685 -0.279 1.00 23.03 H new ATOM 0 HD11 LEU A2022 -2.765 -14.047 0.114 1.00 63.34 H new ATOM 0 HD12 LEU A2022 -3.740 -12.685 -0.488 1.00 63.34 H new ATOM 0 HD13 LEU A2022 -3.305 -12.775 1.236 1.00 63.34 H new ATOM 0 HD21 LEU A2022 -3.819 -15.846 1.465 1.00 40.21 H new ATOM 0 HD22 LEU A2022 -4.429 -14.694 2.676 1.00 40.21 H new ATOM 0 HD23 LEU A2022 -5.557 -15.788 1.842 1.00 40.21 H new ATOM 162 N TRP A2023 -4.152 -11.142 2.376 1.00 42.30 N ATOM 163 CA TRP A2023 -3.481 -9.857 2.459 1.00 53.41 C ATOM 164 C TRP A2023 -4.088 -8.938 1.395 1.00 14.34 C ATOM 165 O TRP A2023 -4.442 -7.796 1.687 1.00 24.33 O ATOM 166 CB TRP A2023 -1.967 -10.017 2.316 1.00 24.22 C ATOM 167 CG TRP A2023 -1.214 -10.031 3.648 1.00 53.22 C ATOM 168 CD1 TRP A2023 -1.698 -10.305 4.866 1.00 62.24 C ATOM 169 CD2 TRP A2023 0.187 -9.747 3.846 1.00 71.22 C ATOM 170 NE1 TRP A2023 -0.717 -10.218 5.833 1.00 73.32 N ATOM 171 CE2 TRP A2023 0.467 -9.867 5.193 1.00 70.14 C ATOM 172 CE3 TRP A2023 1.186 -9.400 2.919 1.00 62.22 C ATOM 173 CZ2 TRP A2023 1.741 -9.658 5.733 1.00 64.24 C ATOM 174 CZ3 TRP A2023 2.453 -9.192 3.476 1.00 10.23 C ATOM 175 CH2 TRP A2023 2.751 -9.311 4.827 1.00 15.41 C ATOM 0 H TRP A2023 -3.534 -11.935 2.207 1.00 42.30 H new ATOM 0 HA TRP A2023 -3.634 -9.405 3.439 1.00 53.41 H new ATOM 0 HB2 TRP A2023 -1.759 -10.945 1.783 1.00 24.22 H new ATOM 0 HB3 TRP A2023 -1.582 -9.203 1.701 1.00 24.22 H new ATOM 0 HD1 TRP A2023 -2.728 -10.562 5.067 1.00 62.24 H new ATOM 0 HE1 TRP A2023 -0.838 -10.381 6.833 1.00 73.32 H new ATOM 0 HE3 TRP A2023 0.991 -9.302 1.861 1.00 62.22 H new ATOM 0 HZ2 TRP A2023 1.935 -9.759 6.791 1.00 64.24 H new ATOM 0 HZ3 TRP A2023 3.256 -8.920 2.807 1.00 10.23 H new ATOM 0 HH2 TRP A2023 3.758 -9.137 5.178 1.00 15.41 H new ATOM 186 N HIS A2024 -4.188 -9.469 0.188 1.00 25.10 N ATOM 187 CA HIS A2024 -4.746 -8.712 -0.920 1.00 0.02 C ATOM 188 C HIS A2024 -6.055 -8.051 -0.484 1.00 14.14 C ATOM 189 O HIS A2024 -6.412 -6.983 -0.978 1.00 32.45 O ATOM 190 CB HIS A2024 -4.911 -9.598 -2.155 1.00 64.52 C ATOM 191 CG HIS A2024 -3.741 -10.515 -2.415 1.00 43.23 C ATOM 192 ND1 HIS A2024 -3.827 -11.891 -2.305 1.00 12.52 N ATOM 193 CD2 HIS A2024 -2.456 -10.237 -2.785 1.00 31.22 C ATOM 194 CE1 HIS A2024 -2.641 -12.409 -2.595 1.00 34.43 C ATOM 195 NE2 HIS A2024 -1.794 -11.382 -2.892 1.00 31.44 N ATOM 0 H HIS A2024 -3.892 -10.416 -0.049 1.00 25.10 H new ATOM 0 HA HIS A2024 -4.057 -7.917 -1.205 1.00 0.02 H new ATOM 0 HB2 HIS A2024 -5.812 -10.200 -2.039 1.00 64.52 H new ATOM 0 HB3 HIS A2024 -5.062 -8.962 -3.028 1.00 64.52 H new ATOM 0 HD2 HIS A2024 -2.048 -9.253 -2.961 1.00 31.22 H new ATOM 0 HE1 HIS A2024 -2.390 -13.459 -2.596 1.00 34.43 H new ATOM 0 HE2 HIS A2024 -0.813 -11.478 -3.153 1.00 31.44 H new ATOM 204 N GLU A2025 -6.736 -8.717 0.439 1.00 32.11 N ATOM 205 CA GLU A2025 -7.998 -8.208 0.948 1.00 12.14 C ATOM 206 C GLU A2025 -7.762 -6.959 1.801 1.00 70.32 C ATOM 207 O GLU A2025 -8.605 -6.063 1.841 1.00 40.33 O ATOM 208 CB GLU A2025 -8.742 -9.283 1.744 1.00 53.04 C ATOM 209 CG GLU A2025 -10.174 -8.846 2.051 1.00 61.12 C ATOM 210 CD GLU A2025 -11.142 -9.340 0.971 1.00 12.34 C ATOM 211 OE1 GLU A2025 -10.712 -9.646 -0.151 1.00 42.34 O ATOM 212 OE2 GLU A2025 -12.377 -9.402 1.334 1.00 44.25 O ATOM 0 H GLU A2025 -6.437 -9.603 0.846 1.00 32.11 H new ATOM 0 HA GLU A2025 -8.624 -7.932 0.100 1.00 12.14 H new ATOM 0 HB2 GLU A2025 -8.756 -10.215 1.178 1.00 53.04 H new ATOM 0 HB3 GLU A2025 -8.212 -9.483 2.675 1.00 53.04 H new ATOM 0 HG2 GLU A2025 -10.477 -9.237 3.022 1.00 61.12 H new ATOM 0 HG3 GLU A2025 -10.220 -7.759 2.116 1.00 61.12 H new ATOM 220 N MET A2026 -6.613 -6.941 2.461 1.00 30.11 N ATOM 221 CA MET A2026 -6.257 -5.816 3.310 1.00 41.01 C ATOM 222 C MET A2026 -5.931 -4.578 2.472 1.00 42.22 C ATOM 223 O MET A2026 -6.298 -3.464 2.838 1.00 74.22 O ATOM 224 CB MET A2026 -5.044 -6.188 4.165 1.00 61.01 C ATOM 225 CG MET A2026 -4.172 -4.962 4.440 1.00 72.25 C ATOM 226 SD MET A2026 -3.019 -4.719 3.101 1.00 1.42 S ATOM 227 CE MET A2026 -1.613 -4.099 4.010 1.00 22.42 C ATOM 0 H MET A2026 -5.917 -7.686 2.425 1.00 30.11 H new ATOM 0 HA MET A2026 -7.108 -5.584 3.950 1.00 41.01 H new ATOM 0 HB2 MET A2026 -5.378 -6.620 5.108 1.00 61.01 H new ATOM 0 HB3 MET A2026 -4.455 -6.951 3.655 1.00 61.01 H new ATOM 0 HG2 MET A2026 -4.799 -4.078 4.555 1.00 72.25 H new ATOM 0 HG3 MET A2026 -3.631 -5.093 5.377 1.00 72.25 H new ATOM 0 HE1 MET A2026 -0.705 -4.583 3.650 1.00 22.42 H new ATOM 0 HE2 MET A2026 -1.532 -3.022 3.865 1.00 22.42 H new ATOM 0 HE3 MET A2026 -1.742 -4.313 5.071 1.00 22.42 H new ATOM 237 N TRP A2027 -5.247 -4.817 1.363 1.00 55.34 N ATOM 238 CA TRP A2027 -4.866 -3.734 0.471 1.00 22.25 C ATOM 239 C TRP A2027 -6.146 -3.137 -0.118 1.00 35.00 C ATOM 240 O TRP A2027 -6.345 -1.924 -0.077 1.00 4.35 O ATOM 241 CB TRP A2027 -3.887 -4.223 -0.598 1.00 71.11 C ATOM 242 CG TRP A2027 -2.550 -4.714 -0.040 1.00 55.32 C ATOM 243 CD1 TRP A2027 -2.292 -5.868 0.590 1.00 11.50 C ATOM 244 CD2 TRP A2027 -1.290 -4.010 -0.088 1.00 61.20 C ATOM 245 NE1 TRP A2027 -0.962 -5.960 0.951 1.00 44.21 N ATOM 246 CE2 TRP A2027 -0.335 -4.795 0.524 1.00 2.43 C ATOM 247 CE3 TRP A2027 -0.969 -2.753 -0.631 1.00 32.24 C ATOM 248 CZ2 TRP A2027 1.007 -4.411 0.652 1.00 73.55 C ATOM 249 CZ3 TRP A2027 0.375 -2.384 -0.495 1.00 0.04 C ATOM 250 CH2 TRP A2027 1.349 -3.163 0.119 1.00 44.12 C ATOM 0 H TRP A2027 -4.947 -5.744 1.061 1.00 55.34 H new ATOM 0 HA TRP A2027 -4.335 -2.953 1.015 1.00 22.25 H new ATOM 0 HB2 TRP A2027 -4.353 -5.032 -1.160 1.00 71.11 H new ATOM 0 HB3 TRP A2027 -3.699 -3.412 -1.302 1.00 71.11 H new ATOM 0 HD1 TRP A2027 -3.031 -6.630 0.790 1.00 11.50 H new ATOM 0 HE1 TRP A2027 -0.521 -6.739 1.440 1.00 44.21 H new ATOM 0 HE3 TRP A2027 -1.701 -2.123 -1.114 1.00 32.24 H new ATOM 0 HZ2 TRP A2027 1.737 -5.043 1.135 1.00 73.55 H new ATOM 0 HZ3 TRP A2027 0.676 -1.427 -0.895 1.00 0.04 H new ATOM 0 HH2 TRP A2027 2.366 -2.806 0.184 1.00 44.12 H new ATOM 261 N HIS A2028 -6.980 -4.017 -0.651 1.00 32.23 N ATOM 262 CA HIS A2028 -8.236 -3.591 -1.248 1.00 11.02 C ATOM 263 C HIS A2028 -9.014 -2.734 -0.248 1.00 25.41 C ATOM 264 O HIS A2028 -9.408 -1.612 -0.561 1.00 73.30 O ATOM 265 CB HIS A2028 -9.037 -4.798 -1.745 1.00 45.42 C ATOM 266 CG HIS A2028 -10.392 -4.945 -1.097 1.00 34.25 C ATOM 267 ND1 HIS A2028 -11.307 -3.908 -1.027 1.00 60.23 N ATOM 268 CD2 HIS A2028 -10.977 -6.017 -0.489 1.00 10.22 C ATOM 269 CE1 HIS A2028 -12.390 -4.348 -0.404 1.00 13.35 C ATOM 270 NE2 HIS A2028 -12.184 -5.656 -0.071 1.00 13.20 N ATOM 0 H HIS A2028 -6.812 -5.023 -0.682 1.00 32.23 H new ATOM 0 HA HIS A2028 -8.037 -2.974 -2.124 1.00 11.02 H new ATOM 0 HB2 HIS A2028 -9.169 -4.714 -2.824 1.00 45.42 H new ATOM 0 HB3 HIS A2028 -8.459 -5.704 -1.564 1.00 45.42 H new ATOM 0 HD2 HIS A2028 -10.533 -6.994 -0.368 1.00 10.22 H new ATOM 0 HE1 HIS A2028 -13.280 -3.773 -0.196 1.00 13.35 H new ATOM 0 HE2 HIS A2028 -12.848 -6.256 0.418 1.00 13.20 H new ATOM 279 N GLU A2029 -9.215 -3.298 0.935 1.00 43.24 N ATOM 280 CA GLU A2029 -9.940 -2.597 1.983 1.00 11.44 C ATOM 281 C GLU A2029 -9.137 -1.389 2.469 1.00 4.20 C ATOM 282 O GLU A2029 -9.692 -0.309 2.661 1.00 1.43 O ATOM 283 CB GLU A2029 -10.269 -3.540 3.143 1.00 51.01 C ATOM 284 CG GLU A2029 -10.863 -4.854 2.631 1.00 33.12 C ATOM 285 CD GLU A2029 -12.377 -4.893 2.852 1.00 3.13 C ATOM 286 OE1 GLU A2029 -13.032 -3.841 2.850 1.00 53.23 O ATOM 287 OE2 GLU A2029 -12.869 -6.073 3.031 1.00 72.02 O ATOM 0 H GLU A2029 -8.889 -4.230 1.191 1.00 43.24 H new ATOM 0 HA GLU A2029 -10.882 -2.238 1.569 1.00 11.44 H new ATOM 0 HB2 GLU A2029 -9.365 -3.745 3.717 1.00 51.01 H new ATOM 0 HB3 GLU A2029 -10.974 -3.057 3.820 1.00 51.01 H new ATOM 0 HG2 GLU A2029 -10.644 -4.967 1.569 1.00 33.12 H new ATOM 0 HG3 GLU A2029 -10.395 -5.694 3.145 1.00 33.12 H new ATOM 295 N GLY A2030 -7.844 -1.613 2.651 1.00 72.24 N ATOM 296 CA GLY A2030 -6.960 -0.556 3.110 1.00 51.01 C ATOM 297 C GLY A2030 -7.071 0.680 2.214 1.00 75.03 C ATOM 298 O GLY A2030 -7.517 1.736 2.660 1.00 24.11 O ATOM 0 H GLY A2030 -7.388 -2.511 2.489 1.00 72.24 H new ATOM 0 HA2 GLY A2030 -7.210 -0.289 4.137 1.00 51.01 H new ATOM 0 HA3 GLY A2030 -5.931 -0.915 3.115 1.00 51.01 H new ATOM 302 N LEU A2031 -6.658 0.506 0.968 1.00 41.11 N ATOM 303 CA LEU A2031 -6.704 1.593 0.006 1.00 41.24 C ATOM 304 C LEU A2031 -8.148 2.083 -0.135 1.00 14.21 C ATOM 305 O LEU A2031 -8.384 3.259 -0.406 1.00 75.03 O ATOM 306 CB LEU A2031 -6.070 1.165 -1.319 1.00 52.53 C ATOM 307 CG LEU A2031 -5.088 2.160 -1.946 1.00 22.34 C ATOM 308 CD1 LEU A2031 -4.114 2.703 -0.899 1.00 32.44 C ATOM 309 CD2 LEU A2031 -4.361 1.535 -3.137 1.00 44.13 C ATOM 0 H LEU A2031 -6.290 -0.372 0.602 1.00 41.11 H new ATOM 0 HA LEU A2031 -6.112 2.437 0.359 1.00 41.24 H new ATOM 0 HB2 LEU A2031 -5.549 0.221 -1.161 1.00 52.53 H new ATOM 0 HB3 LEU A2031 -6.868 0.972 -2.036 1.00 52.53 H new ATOM 0 HG LEU A2031 -5.657 3.009 -2.326 1.00 22.34 H new ATOM 0 HD11 LEU A2031 -3.428 3.407 -1.371 1.00 32.44 H new ATOM 0 HD12 LEU A2031 -4.672 3.211 -0.112 1.00 32.44 H new ATOM 0 HD13 LEU A2031 -3.547 1.878 -0.467 1.00 32.44 H new ATOM 0 HD21 LEU A2031 -3.670 2.262 -3.564 1.00 44.13 H new ATOM 0 HD22 LEU A2031 -3.805 0.658 -2.805 1.00 44.13 H new ATOM 0 HD23 LEU A2031 -5.089 1.239 -3.893 1.00 44.13 H new ATOM 321 N GLU A2032 -9.074 1.155 0.055 1.00 32.30 N ATOM 322 CA GLU A2032 -10.486 1.477 -0.045 1.00 22.41 C ATOM 323 C GLU A2032 -10.832 2.650 0.875 1.00 33.25 C ATOM 324 O GLU A2032 -11.445 3.623 0.442 1.00 64.51 O ATOM 325 CB GLU A2032 -11.352 0.255 0.275 1.00 42.44 C ATOM 326 CG GLU A2032 -12.010 -0.297 -0.992 1.00 10.20 C ATOM 327 CD GLU A2032 -13.384 -0.892 -0.680 1.00 24.14 C ATOM 328 OE1 GLU A2032 -13.532 -1.623 0.311 1.00 72.21 O ATOM 329 OE2 GLU A2032 -14.319 -0.574 -1.510 1.00 54.43 O ATOM 0 H GLU A2032 -8.873 0.180 0.278 1.00 32.30 H new ATOM 0 HA GLU A2032 -10.698 1.773 -1.072 1.00 22.41 H new ATOM 0 HB2 GLU A2032 -10.739 -0.519 0.738 1.00 42.44 H new ATOM 0 HB3 GLU A2032 -12.120 0.528 0.999 1.00 42.44 H new ATOM 0 HG2 GLU A2032 -12.113 0.499 -1.729 1.00 10.20 H new ATOM 0 HG3 GLU A2032 -11.371 -1.061 -1.435 1.00 10.20 H new ATOM 337 N GLU A2033 -10.422 2.518 2.126 1.00 34.13 N ATOM 338 CA GLU A2033 -10.679 3.553 3.113 1.00 61.42 C ATOM 339 C GLU A2033 -9.746 4.744 2.887 1.00 51.24 C ATOM 340 O GLU A2033 -10.197 5.885 2.803 1.00 64.43 O ATOM 341 CB GLU A2033 -10.537 3.006 4.534 1.00 52.11 C ATOM 342 CG GLU A2033 -11.500 3.711 5.493 1.00 64.42 C ATOM 343 CD GLU A2033 -11.954 2.765 6.606 1.00 42.21 C ATOM 344 OE1 GLU A2033 -12.819 1.906 6.377 1.00 2.42 O ATOM 345 OE2 GLU A2033 -11.376 2.946 7.744 1.00 42.23 O ATOM 0 H GLU A2033 -9.912 1.709 2.481 1.00 34.13 H new ATOM 0 HA GLU A2033 -11.707 3.894 2.993 1.00 61.42 H new ATOM 0 HB2 GLU A2033 -10.736 1.934 4.536 1.00 52.11 H new ATOM 0 HB3 GLU A2033 -9.512 3.141 4.878 1.00 52.11 H new ATOM 0 HG2 GLU A2033 -11.012 4.583 5.928 1.00 64.42 H new ATOM 0 HG3 GLU A2033 -12.368 4.073 4.942 1.00 64.42 H new ATOM 353 N ALA A2034 -8.461 4.439 2.797 1.00 1.14 N ATOM 354 CA ALA A2034 -7.459 5.470 2.583 1.00 10.44 C ATOM 355 C ALA A2034 -7.857 6.319 1.374 1.00 34.22 C ATOM 356 O ALA A2034 -7.766 7.544 1.415 1.00 42.35 O ATOM 357 CB ALA A2034 -6.085 4.819 2.411 1.00 3.11 C ATOM 0 H ALA A2034 -8.089 3.492 2.868 1.00 1.14 H new ATOM 0 HA ALA A2034 -7.400 6.133 3.446 1.00 10.44 H new ATOM 0 HB1 ALA A2034 -5.334 5.592 2.250 1.00 3.11 H new ATOM 0 HB2 ALA A2034 -5.836 4.252 3.308 1.00 3.11 H new ATOM 0 HB3 ALA A2034 -6.105 4.149 1.552 1.00 3.11 H new ATOM 363 N SER A2035 -8.290 5.632 0.326 1.00 4.31 N ATOM 364 CA SER A2035 -8.703 6.309 -0.891 1.00 1.34 C ATOM 365 C SER A2035 -10.041 7.016 -0.670 1.00 11.14 C ATOM 366 O SER A2035 -10.174 8.203 -0.962 1.00 72.34 O ATOM 367 CB SER A2035 -8.810 5.324 -2.058 1.00 21.02 C ATOM 368 OG SER A2035 -9.945 4.472 -1.936 1.00 35.32 O ATOM 0 H SER A2035 -8.363 4.615 0.295 1.00 4.31 H new ATOM 0 HA SER A2035 -7.946 7.051 -1.143 1.00 1.34 H new ATOM 0 HB2 SER A2035 -8.872 5.878 -2.995 1.00 21.02 H new ATOM 0 HB3 SER A2035 -7.905 4.718 -2.105 1.00 21.02 H new ATOM 0 HG SER A2035 -9.759 3.772 -1.276 1.00 35.32 H new ATOM 374 N ARG A2036 -10.997 6.258 -0.155 1.00 73.31 N ATOM 375 CA ARG A2036 -12.319 6.797 0.109 1.00 75.22 C ATOM 376 C ARG A2036 -12.213 8.096 0.911 1.00 1.21 C ATOM 377 O ARG A2036 -12.813 9.106 0.549 1.00 3.41 O ATOM 378 CB ARG A2036 -13.179 5.796 0.884 1.00 63.13 C ATOM 379 CG ARG A2036 -13.990 4.916 -0.069 1.00 53.14 C ATOM 380 CD ARG A2036 -15.439 4.789 0.404 1.00 33.21 C ATOM 381 NE ARG A2036 -16.354 5.373 -0.604 1.00 24.12 N ATOM 382 CZ ARG A2036 -16.714 6.673 -0.635 1.00 23.42 C ATOM 383 NH1 ARG A2036 -16.238 7.539 0.285 1.00 30.31 N ATOM 384 NH2 ARG A2036 -17.538 7.086 -1.581 1.00 61.31 N ATOM 0 H ARG A2036 -10.882 5.274 0.087 1.00 73.31 H new ATOM 0 HA ARG A2036 -12.792 6.997 -0.852 1.00 75.22 H new ATOM 0 HB2 ARG A2036 -12.541 5.170 1.508 1.00 63.13 H new ATOM 0 HB3 ARG A2036 -13.853 6.331 1.553 1.00 63.13 H new ATOM 0 HG2 ARG A2036 -13.967 5.342 -1.072 1.00 53.14 H new ATOM 0 HG3 ARG A2036 -13.536 3.927 -0.132 1.00 53.14 H new ATOM 0 HD2 ARG A2036 -15.686 3.740 0.567 1.00 33.21 H new ATOM 0 HD3 ARG A2036 -15.564 5.298 1.359 1.00 33.21 H new ATOM 0 HE ARG A2036 -16.736 4.754 -1.319 1.00 24.12 H new ATOM 0 HH11 ARG A2036 -15.601 7.212 1.011 1.00 30.31 H new ATOM 0 HH12 ARG A2036 -16.516 8.520 0.254 1.00 30.31 H new ATOM 0 HH21 ARG A2036 -17.892 6.426 -2.273 1.00 61.31 H new ATOM 0 HH22 ARG A2036 -17.821 8.065 -1.619 1.00 61.31 H new ATOM 396 N LEU A2037 -11.444 8.026 1.988 1.00 42.34 N ATOM 397 CA LEU A2037 -11.249 9.184 2.845 1.00 70.52 C ATOM 398 C LEU A2037 -10.446 10.244 2.088 1.00 12.41 C ATOM 399 O LEU A2037 -10.785 11.425 2.121 1.00 5.11 O ATOM 400 CB LEU A2037 -10.619 8.767 4.175 1.00 22.32 C ATOM 401 CG LEU A2037 -9.177 8.261 4.103 1.00 15.24 C ATOM 402 CD1 LEU A2037 -8.186 9.427 4.078 1.00 21.44 C ATOM 403 CD2 LEU A2037 -8.881 7.284 5.243 1.00 12.43 C ATOM 0 H LEU A2037 -10.949 7.186 2.287 1.00 42.34 H new ATOM 0 HA LEU A2037 -12.208 9.634 3.102 1.00 70.52 H new ATOM 0 HB2 LEU A2037 -10.651 9.620 4.853 1.00 22.32 H new ATOM 0 HB3 LEU A2037 -11.236 7.985 4.618 1.00 22.32 H new ATOM 0 HG LEU A2037 -9.055 7.714 3.168 1.00 15.24 H new ATOM 0 HD11 LEU A2037 -7.169 9.039 4.027 1.00 21.44 H new ATOM 0 HD12 LEU A2037 -8.381 10.051 3.206 1.00 21.44 H new ATOM 0 HD13 LEU A2037 -8.302 10.022 4.984 1.00 21.44 H new ATOM 0 HD21 LEU A2037 -7.850 6.940 5.168 1.00 12.43 H new ATOM 0 HD22 LEU A2037 -9.028 7.786 6.199 1.00 12.43 H new ATOM 0 HD23 LEU A2037 -9.555 6.430 5.174 1.00 12.43 H new ATOM 415 N TYR A2038 -9.395 9.784 1.428 1.00 5.05 N ATOM 416 CA TYR A2038 -8.539 10.677 0.664 1.00 71.11 C ATOM 417 C TYR A2038 -9.349 11.461 -0.369 1.00 13.22 C ATOM 418 O TYR A2038 -9.246 12.684 -0.447 1.00 53.13 O ATOM 419 CB TYR A2038 -7.535 9.782 -0.064 1.00 4.02 C ATOM 420 CG TYR A2038 -6.771 10.487 -1.186 1.00 62.03 C ATOM 421 CD1 TYR A2038 -5.722 11.330 -0.880 1.00 21.31 C ATOM 422 CD2 TYR A2038 -7.131 10.280 -2.502 1.00 74.23 C ATOM 423 CE1 TYR A2038 -5.003 11.995 -1.937 1.00 11.32 C ATOM 424 CE2 TYR A2038 -6.412 10.944 -3.558 1.00 45.42 C ATOM 425 CZ TYR A2038 -5.382 11.770 -3.222 1.00 24.55 C ATOM 426 OH TYR A2038 -4.702 12.396 -4.219 1.00 62.35 O ATOM 0 H TYR A2038 -9.115 8.803 1.406 1.00 5.05 H new ATOM 0 HA TYR A2038 -8.054 11.398 1.322 1.00 71.11 H new ATOM 0 HB2 TYR A2038 -6.819 9.393 0.660 1.00 4.02 H new ATOM 0 HB3 TYR A2038 -8.064 8.925 -0.481 1.00 4.02 H new ATOM 0 HD1 TYR A2038 -5.440 11.491 0.150 1.00 21.31 H new ATOM 0 HD2 TYR A2038 -7.952 9.620 -2.740 1.00 74.23 H new ATOM 0 HE1 TYR A2038 -4.181 12.658 -1.712 1.00 11.32 H new ATOM 0 HE2 TYR A2038 -6.683 10.791 -4.592 1.00 45.42 H new ATOM 0 HH TYR A2038 -5.082 12.140 -5.085 1.00 62.35 H new ATOM 436 N PHE A2039 -10.138 10.725 -1.138 1.00 24.03 N ATOM 437 CA PHE A2039 -10.967 11.336 -2.164 1.00 30.14 C ATOM 438 C PHE A2039 -12.192 12.013 -1.548 1.00 54.51 C ATOM 439 O PHE A2039 -12.523 13.145 -1.902 1.00 14.44 O ATOM 440 CB PHE A2039 -11.432 10.211 -3.091 1.00 62.42 C ATOM 441 CG PHE A2039 -10.345 9.685 -4.029 1.00 40.33 C ATOM 442 CD1 PHE A2039 -9.829 10.494 -4.993 1.00 71.42 C ATOM 443 CD2 PHE A2039 -9.891 8.409 -3.898 1.00 12.35 C ATOM 444 CE1 PHE A2039 -8.818 10.007 -5.864 1.00 43.21 C ATOM 445 CE2 PHE A2039 -8.881 7.922 -4.769 1.00 53.11 C ATOM 446 CZ PHE A2039 -8.367 8.731 -5.734 1.00 14.51 C ATOM 0 H PHE A2039 -10.221 9.711 -1.071 1.00 24.03 H new ATOM 0 HA PHE A2039 -10.397 12.095 -2.700 1.00 30.14 H new ATOM 0 HB2 PHE A2039 -11.804 9.385 -2.484 1.00 62.42 H new ATOM 0 HB3 PHE A2039 -12.270 10.570 -3.689 1.00 62.42 H new ATOM 0 HD1 PHE A2039 -10.188 11.507 -5.096 1.00 71.42 H new ATOM 0 HD2 PHE A2039 -10.299 7.767 -3.132 1.00 12.35 H new ATOM 0 HE1 PHE A2039 -8.408 10.650 -6.629 1.00 43.21 H new ATOM 0 HE2 PHE A2039 -8.521 6.909 -4.665 1.00 53.11 H new ATOM 0 HZ PHE A2039 -7.600 8.360 -6.397 1.00 14.51 H new ATOM 456 N GLY A2040 -12.831 11.295 -0.637 1.00 12.30 N ATOM 457 CA GLY A2040 -14.013 11.814 0.031 1.00 52.42 C ATOM 458 C GLY A2040 -13.628 12.784 1.151 1.00 3.22 C ATOM 459 O GLY A2040 -13.819 13.992 1.023 1.00 64.23 O ATOM 0 H GLY A2040 -12.553 10.358 -0.345 1.00 12.30 H new ATOM 0 HA2 GLY A2040 -14.650 12.323 -0.692 1.00 52.42 H new ATOM 0 HA3 GLY A2040 -14.594 10.989 0.443 1.00 52.42 H new ATOM 463 N GLU A2041 -13.091 12.218 2.222 1.00 32.32 N ATOM 464 CA GLU A2041 -12.678 13.019 3.363 1.00 32.44 C ATOM 465 C GLU A2041 -11.823 14.201 2.900 1.00 61.41 C ATOM 466 O GLU A2041 -12.006 15.323 3.368 1.00 12.22 O ATOM 467 CB GLU A2041 -11.927 12.166 4.387 1.00 32.11 C ATOM 468 CG GLU A2041 -12.135 12.703 5.804 1.00 50.14 C ATOM 469 CD GLU A2041 -13.621 12.735 6.167 1.00 52.54 C ATOM 470 OE1 GLU A2041 -14.190 11.702 6.547 1.00 2.13 O ATOM 471 OE2 GLU A2041 -14.186 13.887 6.044 1.00 54.14 O ATOM 0 H GLU A2041 -12.932 11.216 2.324 1.00 32.32 H new ATOM 0 HA GLU A2041 -13.571 13.411 3.850 1.00 32.44 H new ATOM 0 HB2 GLU A2041 -12.274 11.134 4.331 1.00 32.11 H new ATOM 0 HB3 GLU A2041 -10.863 12.158 4.149 1.00 32.11 H new ATOM 0 HG2 GLU A2041 -11.597 12.078 6.516 1.00 50.14 H new ATOM 0 HG3 GLU A2041 -11.717 13.707 5.881 1.00 50.14 H new ATOM 479 N ARG A2042 -10.909 13.906 1.989 1.00 24.10 N ATOM 480 CA ARG A2042 -10.026 14.930 1.458 1.00 12.25 C ATOM 481 C ARG A2042 -8.797 15.089 2.356 1.00 21.34 C ATOM 482 O ARG A2042 -8.035 16.044 2.211 1.00 45.03 O ATOM 483 CB ARG A2042 -10.745 16.276 1.347 1.00 64.12 C ATOM 484 CG ARG A2042 -10.075 17.171 0.303 1.00 43.34 C ATOM 485 CD ARG A2042 -9.862 16.417 -1.010 1.00 50.42 C ATOM 486 NE ARG A2042 -9.988 17.348 -2.155 1.00 62.31 N ATOM 487 CZ ARG A2042 -9.780 16.996 -3.442 1.00 22.33 C ATOM 488 NH1 ARG A2042 -9.434 15.732 -3.760 1.00 32.35 N ATOM 489 NH2 ARG A2042 -9.920 17.910 -4.385 1.00 13.03 N ATOM 0 H ARG A2042 -10.760 12.973 1.605 1.00 24.10 H new ATOM 0 HA ARG A2042 -9.715 14.615 0.462 1.00 12.25 H new ATOM 0 HB2 ARG A2042 -11.788 16.114 1.076 1.00 64.12 H new ATOM 0 HB3 ARG A2042 -10.741 16.775 2.316 1.00 64.12 H new ATOM 0 HG2 ARG A2042 -10.692 18.052 0.125 1.00 43.34 H new ATOM 0 HG3 ARG A2042 -9.117 17.524 0.683 1.00 43.34 H new ATOM 0 HD2 ARG A2042 -8.876 15.952 -1.016 1.00 50.42 H new ATOM 0 HD3 ARG A2042 -10.594 15.614 -1.101 1.00 50.42 H new ATOM 0 HE ARG A2042 -10.248 18.315 -1.959 1.00 62.31 H new ATOM 0 HH11 ARG A2042 -9.327 15.032 -3.026 1.00 32.35 H new ATOM 0 HH12 ARG A2042 -9.279 15.476 -4.735 1.00 32.35 H new ATOM 0 HH21 ARG A2042 -10.181 18.864 -4.136 1.00 13.03 H new ATOM 0 HH22 ARG A2042 -9.767 17.662 -5.362 1.00 13.03 H new ATOM 501 N ASN A2043 -8.642 14.139 3.266 1.00 63.24 N ATOM 502 CA ASN A2043 -7.520 14.161 4.188 1.00 52.42 C ATOM 503 C ASN A2043 -6.583 12.994 3.872 1.00 74.10 C ATOM 504 O ASN A2043 -7.011 11.840 3.835 1.00 45.43 O ATOM 505 CB ASN A2043 -7.993 14.008 5.635 1.00 54.24 C ATOM 506 CG ASN A2043 -8.211 15.376 6.288 1.00 32.05 C ATOM 507 OD1 ASN A2043 -8.040 16.418 5.677 1.00 2.04 O ATOM 508 ND2 ASN A2043 -8.595 15.312 7.560 1.00 2.02 N ATOM 0 H ASN A2043 -9.276 13.348 3.384 1.00 63.24 H new ATOM 0 HA ASN A2043 -7.009 15.117 4.074 1.00 52.42 H new ATOM 0 HB2 ASN A2043 -8.921 13.437 5.660 1.00 54.24 H new ATOM 0 HB3 ASN A2043 -7.256 13.442 6.205 1.00 54.24 H new ATOM 0 HD21 ASN A2043 -8.765 16.170 8.085 1.00 2.02 H new ATOM 0 HD22 ASN A2043 -8.719 14.405 8.010 1.00 2.02 H new ATOM 515 N VAL A2044 -5.321 13.332 3.654 1.00 42.44 N ATOM 516 CA VAL A2044 -4.319 12.327 3.343 1.00 23.25 C ATOM 517 C VAL A2044 -3.830 11.682 4.641 1.00 11.41 C ATOM 518 O VAL A2044 -3.378 10.537 4.637 1.00 71.33 O ATOM 519 CB VAL A2044 -3.188 12.952 2.521 1.00 11.41 C ATOM 520 CG1 VAL A2044 -3.721 13.548 1.217 1.00 25.21 C ATOM 521 CG2 VAL A2044 -2.435 14.004 3.338 1.00 4.25 C ATOM 0 H VAL A2044 -4.969 14.289 3.687 1.00 42.44 H new ATOM 0 HA VAL A2044 -4.749 11.535 2.729 1.00 23.25 H new ATOM 0 HB VAL A2044 -2.484 12.161 2.263 1.00 11.41 H new ATOM 0 HG11 VAL A2044 -2.897 13.985 0.653 1.00 25.21 H new ATOM 0 HG12 VAL A2044 -4.191 12.764 0.624 1.00 25.21 H new ATOM 0 HG13 VAL A2044 -4.456 14.321 1.444 1.00 25.21 H new ATOM 0 HG21 VAL A2044 -1.637 14.433 2.732 1.00 4.25 H new ATOM 0 HG22 VAL A2044 -3.125 14.792 3.640 1.00 4.25 H new ATOM 0 HG23 VAL A2044 -2.006 13.537 4.225 1.00 4.25 H new ATOM 531 N LYS A2045 -3.933 12.444 5.719 1.00 23.42 N ATOM 532 CA LYS A2045 -3.508 11.961 7.022 1.00 20.15 C ATOM 533 C LYS A2045 -4.133 10.590 7.280 1.00 32.24 C ATOM 534 O LYS A2045 -3.484 9.702 7.834 1.00 32.14 O ATOM 535 CB LYS A2045 -3.821 12.994 8.104 1.00 74.02 C ATOM 536 CG LYS A2045 -5.224 13.575 7.921 1.00 22.54 C ATOM 537 CD LYS A2045 -5.169 14.927 7.207 1.00 14.24 C ATOM 538 CE LYS A2045 -5.504 16.068 8.172 1.00 62.43 C ATOM 539 NZ LYS A2045 -4.959 17.348 7.668 1.00 24.11 N ATOM 0 H LYS A2045 -4.305 13.394 5.717 1.00 23.42 H new ATOM 0 HA LYS A2045 -2.426 11.828 7.046 1.00 20.15 H new ATOM 0 HB2 LYS A2045 -3.741 12.531 9.087 1.00 74.02 H new ATOM 0 HB3 LYS A2045 -3.084 13.797 8.069 1.00 74.02 H new ATOM 0 HG2 LYS A2045 -5.837 12.881 7.346 1.00 22.54 H new ATOM 0 HG3 LYS A2045 -5.702 13.692 8.893 1.00 22.54 H new ATOM 0 HD2 LYS A2045 -4.175 15.081 6.787 1.00 14.24 H new ATOM 0 HD3 LYS A2045 -5.872 14.932 6.374 1.00 14.24 H new ATOM 0 HE2 LYS A2045 -6.585 16.147 8.290 1.00 62.43 H new ATOM 0 HE3 LYS A2045 -5.091 15.852 9.157 1.00 62.43 H new ATOM 0 HZ1 LYS A2045 -5.195 18.112 8.334 1.00 24.11 H new ATOM 0 HZ2 LYS A2045 -3.926 17.274 7.578 1.00 24.11 H new ATOM 0 HZ3 LYS A2045 -5.373 17.559 6.738 1.00 24.11 H new ATOM 552 N GLY A2046 -5.386 10.457 6.869 1.00 73.12 N ATOM 553 CA GLY A2046 -6.105 9.208 7.051 1.00 70.33 C ATOM 554 C GLY A2046 -5.422 8.067 6.295 1.00 33.32 C ATOM 555 O GLY A2046 -5.137 7.020 6.873 1.00 24.33 O ATOM 0 H GLY A2046 -5.921 11.194 6.410 1.00 73.12 H new ATOM 0 HA2 GLY A2046 -6.157 8.966 8.112 1.00 70.33 H new ATOM 0 HA3 GLY A2046 -7.130 9.320 6.699 1.00 70.33 H new ATOM 559 N MET A2047 -5.180 8.308 5.015 1.00 53.43 N ATOM 560 CA MET A2047 -4.535 7.315 4.174 1.00 71.32 C ATOM 561 C MET A2047 -3.230 6.827 4.805 1.00 23.14 C ATOM 562 O MET A2047 -2.929 5.633 4.774 1.00 32.21 O ATOM 563 CB MET A2047 -4.245 7.919 2.800 1.00 45.14 C ATOM 564 CG MET A2047 -3.218 7.079 2.038 1.00 1.33 C ATOM 565 SD MET A2047 -1.565 7.570 2.500 1.00 4.42 S ATOM 566 CE MET A2047 -1.673 9.329 2.218 1.00 71.14 C ATOM 0 H MET A2047 -5.420 9.178 4.540 1.00 53.43 H new ATOM 0 HA MET A2047 -5.207 6.463 4.070 1.00 71.32 H new ATOM 0 HB2 MET A2047 -5.168 7.982 2.224 1.00 45.14 H new ATOM 0 HB3 MET A2047 -3.873 8.937 2.917 1.00 45.14 H new ATOM 0 HG2 MET A2047 -3.367 6.022 2.256 1.00 1.33 H new ATOM 0 HG3 MET A2047 -3.357 7.205 0.964 1.00 1.33 H new ATOM 0 HE1 MET A2047 -0.716 9.698 1.849 1.00 71.14 H new ATOM 0 HE2 MET A2047 -2.449 9.532 1.480 1.00 71.14 H new ATOM 0 HE3 MET A2047 -1.920 9.833 3.152 1.00 71.14 H new ATOM 576 N PHE A2048 -2.490 7.773 5.362 1.00 42.34 N ATOM 577 CA PHE A2048 -1.223 7.455 6.000 1.00 10.30 C ATOM 578 C PHE A2048 -1.439 6.625 7.266 1.00 32.40 C ATOM 579 O PHE A2048 -0.664 5.715 7.558 1.00 42.30 O ATOM 580 CB PHE A2048 -0.567 8.781 6.380 1.00 44.44 C ATOM 581 CG PHE A2048 0.141 9.482 5.217 1.00 42.24 C ATOM 582 CD1 PHE A2048 1.214 8.898 4.624 1.00 44.11 C ATOM 583 CD2 PHE A2048 -0.305 10.691 4.779 1.00 4.15 C ATOM 584 CE1 PHE A2048 1.872 9.547 3.545 1.00 70.44 C ATOM 585 CE2 PHE A2048 0.353 11.340 3.700 1.00 12.22 C ATOM 586 CZ PHE A2048 1.426 10.755 3.106 1.00 10.14 C ATOM 0 H PHE A2048 -2.743 8.761 5.385 1.00 42.34 H new ATOM 0 HA PHE A2048 -0.600 6.874 5.319 1.00 10.30 H new ATOM 0 HB2 PHE A2048 -1.328 9.449 6.784 1.00 44.44 H new ATOM 0 HB3 PHE A2048 0.155 8.602 7.177 1.00 44.44 H new ATOM 0 HD1 PHE A2048 1.568 7.939 4.973 1.00 44.11 H new ATOM 0 HD2 PHE A2048 -1.158 11.156 5.251 1.00 4.15 H new ATOM 0 HE1 PHE A2048 2.725 9.082 3.074 1.00 70.44 H new ATOM 0 HE2 PHE A2048 -0.000 12.299 3.352 1.00 12.22 H new ATOM 0 HZ PHE A2048 1.925 11.249 2.285 1.00 10.14 H new ATOM 596 N GLU A2049 -2.498 6.967 7.987 1.00 45.32 N ATOM 597 CA GLU A2049 -2.826 6.266 9.215 1.00 61.34 C ATOM 598 C GLU A2049 -3.432 4.897 8.901 1.00 44.23 C ATOM 599 O GLU A2049 -3.521 4.038 9.776 1.00 61.41 O ATOM 600 CB GLU A2049 -3.772 7.097 10.085 1.00 45.34 C ATOM 601 CG GLU A2049 -3.159 8.456 10.418 1.00 55.25 C ATOM 602 CD GLU A2049 -4.247 9.493 10.711 1.00 10.52 C ATOM 603 OE1 GLU A2049 -5.207 9.196 11.438 1.00 71.53 O ATOM 604 OE2 GLU A2049 -4.068 10.644 10.156 1.00 62.03 O ATOM 0 H GLU A2049 -3.140 7.721 7.743 1.00 45.32 H new ATOM 0 HA GLU A2049 -1.906 6.113 9.779 1.00 61.34 H new ATOM 0 HB2 GLU A2049 -4.719 7.239 9.565 1.00 45.34 H new ATOM 0 HB3 GLU A2049 -3.992 6.558 11.006 1.00 45.34 H new ATOM 0 HG2 GLU A2049 -2.501 8.360 11.282 1.00 55.25 H new ATOM 0 HG3 GLU A2049 -2.544 8.795 9.585 1.00 55.25 H new ATOM 612 N VAL A2050 -3.830 4.738 7.646 1.00 11.34 N ATOM 613 CA VAL A2050 -4.423 3.486 7.204 1.00 60.02 C ATOM 614 C VAL A2050 -3.313 2.501 6.837 1.00 52.12 C ATOM 615 O VAL A2050 -3.360 1.333 7.224 1.00 41.21 O ATOM 616 CB VAL A2050 -5.396 3.747 6.052 1.00 53.14 C ATOM 617 CG1 VAL A2050 -5.719 2.454 5.303 1.00 13.24 C ATOM 618 CG2 VAL A2050 -6.672 4.423 6.555 1.00 33.23 C ATOM 0 H VAL A2050 -3.754 5.454 6.923 1.00 11.34 H new ATOM 0 HA VAL A2050 -5.004 3.034 8.008 1.00 60.02 H new ATOM 0 HB VAL A2050 -4.911 4.427 5.352 1.00 53.14 H new ATOM 0 HG11 VAL A2050 -6.412 2.668 4.490 1.00 13.24 H new ATOM 0 HG12 VAL A2050 -4.801 2.031 4.895 1.00 13.24 H new ATOM 0 HG13 VAL A2050 -6.174 1.740 5.989 1.00 13.24 H new ATOM 0 HG21 VAL A2050 -7.346 4.597 5.716 1.00 33.23 H new ATOM 0 HG22 VAL A2050 -7.161 3.779 7.286 1.00 33.23 H new ATOM 0 HG23 VAL A2050 -6.420 5.375 7.022 1.00 33.23 H new ATOM 628 N LEU A2051 -2.338 3.006 6.095 1.00 62.43 N ATOM 629 CA LEU A2051 -1.216 2.185 5.671 1.00 50.11 C ATOM 630 C LEU A2051 -0.266 1.980 6.852 1.00 10.32 C ATOM 631 O LEU A2051 0.218 0.873 7.078 1.00 33.14 O ATOM 632 CB LEU A2051 -0.543 2.792 4.439 1.00 24.01 C ATOM 633 CG LEU A2051 -1.423 2.932 3.194 1.00 70.30 C ATOM 634 CD1 LEU A2051 -2.900 2.728 3.542 1.00 41.53 C ATOM 635 CD2 LEU A2051 -1.178 4.271 2.495 1.00 74.31 C ATOM 0 H LEU A2051 -2.302 3.974 5.776 1.00 62.43 H new ATOM 0 HA LEU A2051 -1.561 1.198 5.363 1.00 50.11 H new ATOM 0 HB2 LEU A2051 -0.165 3.779 4.705 1.00 24.01 H new ATOM 0 HB3 LEU A2051 0.321 2.179 4.182 1.00 24.01 H new ATOM 0 HG LEU A2051 -1.146 2.147 2.490 1.00 70.30 H new ATOM 0 HD11 LEU A2051 -3.504 2.833 2.641 1.00 41.53 H new ATOM 0 HD12 LEU A2051 -3.041 1.731 3.960 1.00 41.53 H new ATOM 0 HD13 LEU A2051 -3.208 3.475 4.274 1.00 41.53 H new ATOM 0 HD21 LEU A2051 -1.816 4.344 1.614 1.00 74.31 H new ATOM 0 HD22 LEU A2051 -1.410 5.087 3.180 1.00 74.31 H new ATOM 0 HD23 LEU A2051 -0.133 4.338 2.193 1.00 74.31 H new ATOM 647 N GLU A2052 -0.025 3.066 7.573 1.00 1.12 N ATOM 648 CA GLU A2052 0.859 3.018 8.724 1.00 74.02 C ATOM 649 C GLU A2052 0.720 1.677 9.446 1.00 15.34 C ATOM 650 O GLU A2052 1.702 0.955 9.618 1.00 63.33 O ATOM 651 CB GLU A2052 0.583 4.183 9.677 1.00 12.44 C ATOM 652 CG GLU A2052 1.718 5.207 9.634 1.00 0.43 C ATOM 653 CD GLU A2052 1.829 5.960 10.962 1.00 61.13 C ATOM 654 OE1 GLU A2052 1.081 5.665 11.905 1.00 21.10 O ATOM 655 OE2 GLU A2052 2.733 6.881 10.993 1.00 65.14 O ATOM 0 H GLU A2052 -0.427 3.984 7.382 1.00 1.12 H new ATOM 0 HA GLU A2052 1.886 3.114 8.371 1.00 74.02 H new ATOM 0 HB2 GLU A2052 -0.356 4.665 9.406 1.00 12.44 H new ATOM 0 HB3 GLU A2052 0.466 3.806 10.693 1.00 12.44 H new ATOM 0 HG2 GLU A2052 2.660 4.702 9.418 1.00 0.43 H new ATOM 0 HG3 GLU A2052 1.543 5.915 8.824 1.00 0.43 H new ATOM 663 N PRO A2053 -0.539 1.374 9.860 1.00 73.41 N ATOM 664 CA PRO A2053 -0.821 0.132 10.559 1.00 55.51 C ATOM 665 C PRO A2053 -0.816 -1.055 9.593 1.00 51.31 C ATOM 666 O PRO A2053 -0.221 -2.092 9.880 1.00 24.12 O ATOM 667 CB PRO A2053 -2.169 0.351 11.225 1.00 73.40 C ATOM 668 CG PRO A2053 -2.807 1.524 10.498 1.00 51.41 C ATOM 669 CD PRO A2053 -1.727 2.204 9.674 1.00 63.34 C ATOM 0 HA PRO A2053 -0.061 -0.114 11.301 1.00 55.51 H new ATOM 0 HB2 PRO A2053 -2.791 -0.541 11.150 1.00 73.40 H new ATOM 0 HB3 PRO A2053 -2.050 0.568 12.287 1.00 73.40 H new ATOM 0 HG2 PRO A2053 -3.617 1.180 9.856 1.00 51.41 H new ATOM 0 HG3 PRO A2053 -3.241 2.225 11.211 1.00 51.41 H new ATOM 0 HD2 PRO A2053 -2.009 2.262 8.623 1.00 63.34 H new ATOM 0 HD3 PRO A2053 -1.554 3.225 10.014 1.00 63.34 H new ATOM 677 N LEU A2054 -1.487 -0.860 8.466 1.00 22.05 N ATOM 678 CA LEU A2054 -1.568 -1.901 7.455 1.00 1.13 C ATOM 679 C LEU A2054 -0.164 -2.434 7.165 1.00 42.10 C ATOM 680 O LEU A2054 0.085 -3.634 7.281 1.00 44.25 O ATOM 681 CB LEU A2054 -2.299 -1.387 6.215 1.00 21.10 C ATOM 682 CG LEU A2054 -3.688 -1.976 5.962 1.00 61.50 C ATOM 683 CD1 LEU A2054 -4.419 -2.243 7.280 1.00 73.35 C ATOM 684 CD2 LEU A2054 -4.503 -1.081 5.026 1.00 24.03 C ATOM 0 H LEU A2054 -1.979 0.002 8.231 1.00 22.05 H new ATOM 0 HA LEU A2054 -2.159 -2.741 7.819 1.00 1.13 H new ATOM 0 HB2 LEU A2054 -2.395 -0.304 6.297 1.00 21.10 H new ATOM 0 HB3 LEU A2054 -1.677 -1.587 5.342 1.00 21.10 H new ATOM 0 HG LEU A2054 -3.565 -2.936 5.461 1.00 61.50 H new ATOM 0 HD11 LEU A2054 -5.404 -2.661 7.072 1.00 73.35 H new ATOM 0 HD12 LEU A2054 -3.844 -2.949 7.878 1.00 73.35 H new ATOM 0 HD13 LEU A2054 -4.531 -1.309 7.830 1.00 73.35 H new ATOM 0 HD21 LEU A2054 -5.486 -1.524 4.864 1.00 24.03 H new ATOM 0 HD22 LEU A2054 -4.619 -0.095 5.475 1.00 24.03 H new ATOM 0 HD23 LEU A2054 -3.986 -0.986 4.071 1.00 24.03 H new ATOM 696 N HIS A2055 0.717 -1.518 6.793 1.00 72.03 N ATOM 697 CA HIS A2055 2.090 -1.880 6.484 1.00 72.31 C ATOM 698 C HIS A2055 2.743 -2.512 7.716 1.00 42.33 C ATOM 699 O HIS A2055 3.302 -3.605 7.637 1.00 63.22 O ATOM 700 CB HIS A2055 2.865 -0.673 5.956 1.00 53.03 C ATOM 701 CG HIS A2055 2.414 -0.200 4.595 1.00 2.24 C ATOM 702 ND1 HIS A2055 2.547 1.111 4.174 1.00 4.30 N ATOM 703 CD2 HIS A2055 1.832 -0.879 3.563 1.00 33.20 C ATOM 704 CE1 HIS A2055 2.062 1.207 2.944 1.00 61.21 C ATOM 705 NE2 HIS A2055 1.619 -0.027 2.568 1.00 73.51 N ATOM 0 H HIS A2055 0.507 -0.524 6.698 1.00 72.03 H new ATOM 0 HA HIS A2055 2.103 -2.623 5.686 1.00 72.31 H new ATOM 0 HB2 HIS A2055 2.766 0.148 6.666 1.00 53.03 H new ATOM 0 HB3 HIS A2055 3.924 -0.927 5.908 1.00 53.03 H new ATOM 0 HD2 HIS A2055 1.587 -1.931 3.557 1.00 33.20 H new ATOM 0 HE1 HIS A2055 2.024 2.105 2.345 1.00 61.21 H new ATOM 0 HE2 HIS A2055 1.194 -0.257 1.670 1.00 73.51 H new ATOM 714 N ALA A2056 2.651 -1.795 8.827 1.00 33.22 N ATOM 715 CA ALA A2056 3.226 -2.272 10.074 1.00 73.43 C ATOM 716 C ALA A2056 2.777 -3.714 10.319 1.00 53.41 C ATOM 717 O ALA A2056 3.603 -4.589 10.578 1.00 54.22 O ATOM 718 CB ALA A2056 2.822 -1.335 11.213 1.00 40.32 C ATOM 0 H ALA A2056 2.188 -0.889 8.890 1.00 33.22 H new ATOM 0 HA ALA A2056 4.315 -2.270 10.020 1.00 73.43 H new ATOM 0 HB1 ALA A2056 3.253 -1.692 12.148 1.00 40.32 H new ATOM 0 HB2 ALA A2056 3.189 -0.330 11.005 1.00 40.32 H new ATOM 0 HB3 ALA A2056 1.736 -1.314 11.299 1.00 40.32 H new ATOM 724 N MET A2057 1.471 -3.919 10.229 1.00 51.51 N ATOM 725 CA MET A2057 0.905 -5.240 10.437 1.00 51.21 C ATOM 726 C MET A2057 1.610 -6.283 9.569 1.00 15.33 C ATOM 727 O MET A2057 1.866 -7.400 10.020 1.00 4.11 O ATOM 728 CB MET A2057 -0.587 -5.215 10.094 1.00 63.50 C ATOM 729 CG MET A2057 -0.892 -6.133 8.910 1.00 23.44 C ATOM 730 SD MET A2057 -2.647 -6.146 8.582 1.00 54.10 S ATOM 731 CE MET A2057 -2.639 -6.665 6.875 1.00 61.32 C ATOM 0 H MET A2057 0.789 -3.192 10.015 1.00 51.51 H new ATOM 0 HA MET A2057 1.043 -5.513 11.483 1.00 51.21 H new ATOM 0 HB2 MET A2057 -1.168 -5.528 10.961 1.00 63.50 H new ATOM 0 HB3 MET A2057 -0.892 -4.196 9.857 1.00 63.50 H new ATOM 0 HG2 MET A2057 -0.351 -5.793 8.027 1.00 23.44 H new ATOM 0 HG3 MET A2057 -0.547 -7.144 9.125 1.00 23.44 H new ATOM 0 HE1 MET A2057 -3.663 -6.709 6.503 1.00 61.32 H new ATOM 0 HE2 MET A2057 -2.067 -5.952 6.281 1.00 61.32 H new ATOM 0 HE3 MET A2057 -2.182 -7.652 6.797 1.00 61.32 H new ATOM 741 N MET A2058 1.909 -5.881 8.343 1.00 23.33 N ATOM 742 CA MET A2058 2.580 -6.769 7.408 1.00 2.00 C ATOM 743 C MET A2058 4.054 -6.947 7.783 1.00 62.45 C ATOM 744 O MET A2058 4.662 -7.963 7.455 1.00 41.02 O ATOM 745 CB MET A2058 2.479 -6.193 5.995 1.00 43.42 C ATOM 746 CG MET A2058 1.019 -5.964 5.599 1.00 4.21 C ATOM 747 SD MET A2058 0.725 -6.604 3.957 1.00 70.35 S ATOM 748 CE MET A2058 -0.933 -7.229 4.164 1.00 61.41 C ATOM 0 H MET A2058 1.699 -4.953 7.975 1.00 23.33 H new ATOM 0 HA MET A2058 2.094 -7.744 7.448 1.00 2.00 H new ATOM 0 HB2 MET A2058 3.026 -5.251 5.942 1.00 43.42 H new ATOM 0 HB3 MET A2058 2.949 -6.875 5.286 1.00 43.42 H new ATOM 0 HG2 MET A2058 0.358 -6.455 6.314 1.00 4.21 H new ATOM 0 HG3 MET A2058 0.788 -4.899 5.630 1.00 4.21 H new ATOM 0 HE1 MET A2058 -1.230 -7.776 3.269 1.00 61.41 H new ATOM 0 HE2 MET A2058 -0.965 -7.897 5.025 1.00 61.41 H new ATOM 0 HE3 MET A2058 -1.618 -6.397 4.324 1.00 61.41 H new ATOM 758 N GLU A2059 4.581 -5.941 8.466 1.00 1.41 N ATOM 759 CA GLU A2059 5.971 -5.974 8.891 1.00 2.04 C ATOM 760 C GLU A2059 6.131 -6.872 10.118 1.00 11.12 C ATOM 761 O GLU A2059 6.816 -7.892 10.060 1.00 32.03 O ATOM 762 CB GLU A2059 6.492 -4.563 9.170 1.00 31.54 C ATOM 763 CG GLU A2059 6.082 -3.595 8.058 1.00 33.21 C ATOM 764 CD GLU A2059 7.223 -2.632 7.721 1.00 74.50 C ATOM 765 OE1 GLU A2059 8.009 -2.902 6.802 1.00 73.01 O ATOM 766 OE2 GLU A2059 7.272 -1.571 8.452 1.00 52.30 O ATOM 0 H GLU A2059 4.072 -5.099 8.735 1.00 1.41 H new ATOM 0 HA GLU A2059 6.568 -6.392 8.081 1.00 2.04 H new ATOM 0 HB2 GLU A2059 6.103 -4.210 10.125 1.00 31.54 H new ATOM 0 HB3 GLU A2059 7.578 -4.583 9.256 1.00 31.54 H new ATOM 0 HG2 GLU A2059 5.800 -4.157 7.167 1.00 33.21 H new ATOM 0 HG3 GLU A2059 5.204 -3.029 8.369 1.00 33.21 H new ATOM 774 N ARG A2060 5.488 -6.460 11.201 1.00 41.00 N ATOM 775 CA ARG A2060 5.550 -7.214 12.440 1.00 13.34 C ATOM 776 C ARG A2060 4.820 -8.549 12.287 1.00 53.03 C ATOM 777 O ARG A2060 5.142 -9.520 12.971 1.00 11.33 O ATOM 778 CB ARG A2060 4.924 -6.427 13.595 1.00 33.13 C ATOM 779 CG ARG A2060 3.447 -6.143 13.327 1.00 64.13 C ATOM 780 CD ARG A2060 2.925 -5.035 14.245 1.00 54.30 C ATOM 781 NE ARG A2060 1.450 -5.103 14.334 1.00 50.12 N ATOM 782 CZ ARG A2060 0.723 -4.517 15.309 1.00 3.40 C ATOM 783 NH1 ARG A2060 1.330 -3.813 16.288 1.00 24.14 N ATOM 784 NH2 ARG A2060 -0.592 -4.642 15.290 1.00 75.13 N ATOM 0 H ARG A2060 4.921 -5.613 11.245 1.00 41.00 H new ATOM 0 HA ARG A2060 6.601 -7.395 12.666 1.00 13.34 H new ATOM 0 HB2 ARG A2060 5.027 -6.991 14.522 1.00 33.13 H new ATOM 0 HB3 ARG A2060 5.460 -5.488 13.732 1.00 33.13 H new ATOM 0 HG2 ARG A2060 3.313 -5.851 12.286 1.00 64.13 H new ATOM 0 HG3 ARG A2060 2.865 -7.052 13.481 1.00 64.13 H new ATOM 0 HD2 ARG A2060 3.362 -5.138 15.238 1.00 54.30 H new ATOM 0 HD3 ARG A2060 3.230 -4.061 13.862 1.00 54.30 H new ATOM 0 HE ARG A2060 0.951 -5.625 13.614 1.00 50.12 H new ATOM 0 HH11 ARG A2060 2.346 -3.721 16.295 1.00 24.14 H new ATOM 0 HH12 ARG A2060 0.773 -3.374 17.021 1.00 24.14 H new ATOM 0 HH21 ARG A2060 -1.043 -5.175 14.546 1.00 75.13 H new ATOM 0 HH22 ARG A2060 -1.156 -4.206 16.019 1.00 75.13 H new ATOM 796 N GLY A2061 3.849 -8.556 11.385 1.00 51.04 N ATOM 797 CA GLY A2061 3.069 -9.756 11.133 1.00 14.53 C ATOM 798 C GLY A2061 2.966 -10.038 9.633 1.00 31.11 C ATOM 799 O GLY A2061 2.052 -9.550 8.969 1.00 24.54 O ATOM 0 H GLY A2061 3.585 -7.749 10.820 1.00 51.04 H new ATOM 0 HA2 GLY A2061 3.530 -10.606 11.636 1.00 14.53 H new ATOM 0 HA3 GLY A2061 2.070 -9.640 11.554 1.00 14.53 H new ATOM 803 N PRO A2062 3.940 -10.842 9.130 1.00 63.01 N ATOM 804 CA PRO A2062 3.967 -11.193 7.719 1.00 73.14 C ATOM 805 C PRO A2062 2.893 -12.232 7.394 1.00 25.33 C ATOM 806 O PRO A2062 1.736 -11.884 7.168 1.00 30.22 O ATOM 807 CB PRO A2062 5.378 -11.698 7.468 1.00 13.22 C ATOM 808 CG PRO A2062 5.947 -12.049 8.834 1.00 50.04 C ATOM 809 CD PRO A2062 5.038 -11.436 9.889 1.00 42.31 C ATOM 0 HA PRO A2062 3.739 -10.348 7.069 1.00 73.14 H new ATOM 0 HB2 PRO A2062 5.370 -12.569 6.813 1.00 13.22 H new ATOM 0 HB3 PRO A2062 5.984 -10.936 6.977 1.00 13.22 H new ATOM 0 HG2 PRO A2062 6.001 -13.130 8.959 1.00 50.04 H new ATOM 0 HG3 PRO A2062 6.962 -11.665 8.935 1.00 50.04 H new ATOM 0 HD2 PRO A2062 4.675 -12.191 10.586 1.00 42.31 H new ATOM 0 HD3 PRO A2062 5.565 -10.685 10.478 1.00 42.31 H new ATOM 817 N GLN A2063 3.315 -13.490 7.380 1.00 72.42 N ATOM 818 CA GLN A2063 2.404 -14.581 7.086 1.00 2.02 C ATOM 819 C GLN A2063 3.158 -15.912 7.072 1.00 5.31 C ATOM 820 O GLN A2063 3.020 -16.718 7.992 1.00 65.22 O ATOM 821 CB GLN A2063 1.679 -14.348 5.759 1.00 42.34 C ATOM 822 CG GLN A2063 0.232 -14.841 5.829 1.00 35.21 C ATOM 823 CD GLN A2063 -0.749 -13.666 5.807 1.00 30.12 C ATOM 824 OE1 GLN A2063 -0.951 -13.013 4.798 1.00 13.32 O ATOM 825 NE2 GLN A2063 -1.348 -13.440 6.974 1.00 50.55 N ATOM 0 H GLN A2063 4.276 -13.776 7.568 1.00 72.42 H new ATOM 0 HA GLN A2063 1.650 -14.621 7.872 1.00 2.02 H new ATOM 0 HB2 GLN A2063 1.693 -13.286 5.515 1.00 42.34 H new ATOM 0 HB3 GLN A2063 2.205 -14.867 4.957 1.00 42.34 H new ATOM 0 HG2 GLN A2063 0.029 -15.505 4.989 1.00 35.21 H new ATOM 0 HG3 GLN A2063 0.086 -15.424 6.738 1.00 35.21 H new ATOM 0 HE21 GLN A2063 -1.132 -14.026 7.780 1.00 50.55 H new ATOM 0 HE22 GLN A2063 -2.023 -12.681 7.062 1.00 50.55 H new ATOM 834 N THR A2064 3.938 -16.103 6.017 1.00 21.33 N ATOM 835 CA THR A2064 4.714 -17.322 5.872 1.00 2.15 C ATOM 836 C THR A2064 5.813 -17.135 4.823 1.00 75.15 C ATOM 837 O THR A2064 5.908 -16.076 4.204 1.00 5.30 O ATOM 838 CB THR A2064 3.748 -18.461 5.540 1.00 22.32 C ATOM 839 OG1 THR A2064 4.598 -19.549 5.191 1.00 72.21 O ATOM 840 CG2 THR A2064 2.942 -18.195 4.267 1.00 51.21 C ATOM 0 H THR A2064 4.049 -15.434 5.255 1.00 21.33 H new ATOM 0 HA THR A2064 5.231 -17.573 6.798 1.00 2.15 H new ATOM 0 HB THR A2064 3.066 -18.611 6.377 1.00 22.32 H new ATOM 0 HG1 THR A2064 4.052 -20.330 4.963 1.00 72.21 H new ATOM 0 HG21 THR A2064 2.273 -19.034 4.078 1.00 51.21 H new ATOM 0 HG22 THR A2064 2.356 -17.284 4.391 1.00 51.21 H new ATOM 0 HG23 THR A2064 3.622 -18.077 3.424 1.00 51.21 H new ATOM 848 N LEU A2065 6.611 -18.177 4.657 1.00 2.41 N ATOM 849 CA LEU A2065 7.699 -18.139 3.694 1.00 64.21 C ATOM 850 C LEU A2065 7.132 -17.865 2.300 1.00 63.23 C ATOM 851 O LEU A2065 7.822 -17.318 1.441 1.00 70.43 O ATOM 852 CB LEU A2065 8.532 -19.420 3.777 1.00 43.44 C ATOM 853 CG LEU A2065 10.040 -19.229 3.952 1.00 73.14 C ATOM 854 CD1 LEU A2065 10.572 -18.159 2.997 1.00 42.10 C ATOM 855 CD2 LEU A2065 10.387 -18.917 5.410 1.00 33.34 C ATOM 0 H LEU A2065 6.527 -19.053 5.172 1.00 2.41 H new ATOM 0 HA LEU A2065 8.384 -17.324 3.926 1.00 64.21 H new ATOM 0 HB2 LEU A2065 8.162 -20.017 4.611 1.00 43.44 H new ATOM 0 HB3 LEU A2065 8.362 -20.000 2.870 1.00 43.44 H new ATOM 0 HG LEU A2065 10.535 -20.166 3.695 1.00 73.14 H new ATOM 0 HD11 LEU A2065 11.646 -18.043 3.142 1.00 42.10 H new ATOM 0 HD12 LEU A2065 10.375 -18.460 1.968 1.00 42.10 H new ATOM 0 HD13 LEU A2065 10.074 -17.211 3.199 1.00 42.10 H new ATOM 0 HD21 LEU A2065 11.465 -18.786 5.507 1.00 33.34 H new ATOM 0 HD22 LEU A2065 9.881 -18.002 5.717 1.00 33.34 H new ATOM 0 HD23 LEU A2065 10.063 -19.741 6.046 1.00 33.34 H new ATOM 867 N LYS A2066 5.879 -18.255 2.119 1.00 25.12 N ATOM 868 CA LYS A2066 5.210 -18.056 0.842 1.00 33.44 C ATOM 869 C LYS A2066 4.993 -16.562 0.613 1.00 71.04 C ATOM 870 O LYS A2066 5.375 -16.027 -0.428 1.00 32.23 O ATOM 871 CB LYS A2066 3.923 -18.882 0.780 1.00 35.33 C ATOM 872 CG LYS A2066 3.260 -18.758 -0.593 1.00 1.25 C ATOM 873 CD LYS A2066 1.803 -19.224 -0.544 1.00 34.44 C ATOM 874 CE LYS A2066 1.570 -20.400 -1.494 1.00 63.23 C ATOM 875 NZ LYS A2066 0.307 -21.095 -1.159 1.00 1.41 N ATOM 0 H LYS A2066 5.309 -18.707 2.834 1.00 25.12 H new ATOM 0 HA LYS A2066 5.833 -18.416 0.024 1.00 33.44 H new ATOM 0 HB2 LYS A2066 4.148 -19.928 0.987 1.00 35.33 H new ATOM 0 HB3 LYS A2066 3.233 -18.545 1.553 1.00 35.33 H new ATOM 0 HG2 LYS A2066 3.303 -17.722 -0.929 1.00 1.25 H new ATOM 0 HG3 LYS A2066 3.811 -19.352 -1.322 1.00 1.25 H new ATOM 0 HD2 LYS A2066 1.546 -19.518 0.474 1.00 34.44 H new ATOM 0 HD3 LYS A2066 1.144 -18.398 -0.814 1.00 34.44 H new ATOM 0 HE2 LYS A2066 1.533 -20.042 -2.523 1.00 63.23 H new ATOM 0 HE3 LYS A2066 2.404 -21.098 -1.429 1.00 63.23 H new ATOM 0 HZ1 LYS A2066 0.164 -21.891 -1.814 1.00 1.41 H new ATOM 0 HZ2 LYS A2066 0.356 -21.453 -0.184 1.00 1.41 H new ATOM 0 HZ3 LYS A2066 -0.488 -20.430 -1.244 1.00 1.41 H new ATOM 888 N GLU A2067 4.382 -15.924 1.601 1.00 53.43 N ATOM 889 CA GLU A2067 4.111 -14.499 1.518 1.00 61.15 C ATOM 890 C GLU A2067 5.417 -13.704 1.584 1.00 33.51 C ATOM 891 O GLU A2067 5.482 -12.572 1.112 1.00 2.41 O ATOM 892 CB GLU A2067 3.145 -14.060 2.622 1.00 51.23 C ATOM 893 CG GLU A2067 1.757 -14.665 2.407 1.00 33.21 C ATOM 894 CD GLU A2067 1.043 -13.998 1.230 1.00 54.20 C ATOM 895 OE1 GLU A2067 0.666 -12.820 1.321 1.00 11.14 O ATOM 896 OE2 GLU A2067 0.886 -14.748 0.194 1.00 25.11 O ATOM 0 H GLU A2067 4.067 -16.368 2.463 1.00 53.43 H new ATOM 0 HA GLU A2067 3.634 -14.295 0.560 1.00 61.15 H new ATOM 0 HB2 GLU A2067 3.533 -14.367 3.593 1.00 51.23 H new ATOM 0 HB3 GLU A2067 3.074 -12.972 2.637 1.00 51.23 H new ATOM 0 HG2 GLU A2067 1.848 -15.735 2.222 1.00 33.21 H new ATOM 0 HG3 GLU A2067 1.161 -14.547 3.312 1.00 33.21 H new ATOM 904 N THR A2068 6.423 -14.332 2.175 1.00 40.32 N ATOM 905 CA THR A2068 7.724 -13.698 2.309 1.00 41.12 C ATOM 906 C THR A2068 8.243 -13.249 0.942 1.00 5.31 C ATOM 907 O THR A2068 9.024 -12.303 0.848 1.00 33.53 O ATOM 908 CB THR A2068 8.657 -14.680 3.021 1.00 73.22 C ATOM 909 OG1 THR A2068 8.133 -14.762 4.344 1.00 60.12 O ATOM 910 CG2 THR A2068 10.066 -14.112 3.214 1.00 31.23 C ATOM 0 H THR A2068 6.364 -15.272 2.566 1.00 40.32 H new ATOM 0 HA THR A2068 7.662 -12.791 2.911 1.00 41.12 H new ATOM 0 HB THR A2068 8.713 -15.607 2.450 1.00 73.22 H new ATOM 0 HG1 THR A2068 7.418 -15.431 4.372 1.00 60.12 H new ATOM 0 HG21 THR A2068 10.688 -14.848 3.724 1.00 31.23 H new ATOM 0 HG22 THR A2068 10.501 -13.880 2.242 1.00 31.23 H new ATOM 0 HG23 THR A2068 10.013 -13.204 3.814 1.00 31.23 H new ATOM 918 N SER A2069 7.786 -13.951 -0.088 1.00 15.42 N ATOM 919 CA SER A2069 8.197 -13.637 -1.446 1.00 65.10 C ATOM 920 C SER A2069 7.503 -12.357 -1.918 1.00 54.02 C ATOM 921 O SER A2069 8.079 -11.580 -2.678 1.00 21.41 O ATOM 922 CB SER A2069 7.880 -14.793 -2.397 1.00 20.20 C ATOM 923 OG SER A2069 8.343 -14.538 -3.720 1.00 2.31 O ATOM 0 H SER A2069 7.137 -14.734 -0.008 1.00 15.42 H new ATOM 0 HA SER A2069 9.276 -13.482 -1.451 1.00 65.10 H new ATOM 0 HB2 SER A2069 8.340 -15.707 -2.022 1.00 20.20 H new ATOM 0 HB3 SER A2069 6.803 -14.962 -2.416 1.00 20.20 H new ATOM 0 HG SER A2069 8.123 -15.300 -4.296 1.00 2.31 H new ATOM 929 N PHE A2070 6.277 -12.178 -1.447 1.00 13.00 N ATOM 930 CA PHE A2070 5.501 -11.004 -1.813 1.00 72.24 C ATOM 931 C PHE A2070 6.045 -9.751 -1.125 1.00 43.12 C ATOM 932 O PHE A2070 6.341 -8.757 -1.786 1.00 55.55 O ATOM 933 CB PHE A2070 4.068 -11.252 -1.337 1.00 3.42 C ATOM 934 CG PHE A2070 3.265 -9.972 -1.092 1.00 75.11 C ATOM 935 CD1 PHE A2070 2.597 -9.382 -2.119 1.00 41.14 C ATOM 936 CD2 PHE A2070 3.217 -9.426 0.153 1.00 13.00 C ATOM 937 CE1 PHE A2070 1.850 -8.195 -1.892 1.00 51.42 C ATOM 938 CE2 PHE A2070 2.471 -8.240 0.380 1.00 51.01 C ATOM 939 CZ PHE A2070 1.804 -7.650 -0.647 1.00 43.54 C ATOM 0 H PHE A2070 5.803 -12.824 -0.817 1.00 13.00 H new ATOM 0 HA PHE A2070 5.551 -10.844 -2.890 1.00 72.24 H new ATOM 0 HB2 PHE A2070 3.549 -11.858 -2.079 1.00 3.42 H new ATOM 0 HB3 PHE A2070 4.097 -11.833 -0.415 1.00 3.42 H new ATOM 0 HD1 PHE A2070 2.634 -9.816 -3.107 1.00 41.14 H new ATOM 0 HD2 PHE A2070 3.747 -9.895 0.969 1.00 13.00 H new ATOM 0 HE1 PHE A2070 1.319 -7.726 -2.707 1.00 51.42 H new ATOM 0 HE2 PHE A2070 2.433 -7.806 1.368 1.00 51.01 H new ATOM 0 HZ PHE A2070 1.237 -6.747 -0.474 1.00 43.54 H new ATOM 949 N ASN A2071 6.161 -9.841 0.193 1.00 4.10 N ATOM 950 CA ASN A2071 6.664 -8.726 0.976 1.00 44.43 C ATOM 951 C ASN A2071 8.028 -8.298 0.429 1.00 34.01 C ATOM 952 O ASN A2071 8.384 -7.121 0.489 1.00 10.24 O ATOM 953 CB ASN A2071 6.846 -9.120 2.442 1.00 30.55 C ATOM 954 CG ASN A2071 7.389 -7.949 3.263 1.00 74.35 C ATOM 955 OD1 ASN A2071 8.538 -7.559 3.151 1.00 13.24 O ATOM 956 ND2 ASN A2071 6.499 -7.411 4.092 1.00 34.14 N ATOM 0 H ASN A2071 5.915 -10.668 0.737 1.00 4.10 H new ATOM 0 HA ASN A2071 5.941 -7.913 0.908 1.00 44.43 H new ATOM 0 HB2 ASN A2071 5.892 -9.447 2.855 1.00 30.55 H new ATOM 0 HB3 ASN A2071 7.530 -9.966 2.512 1.00 30.55 H new ATOM 0 HD21 ASN A2071 6.764 -6.623 4.683 1.00 34.14 H new ATOM 0 HD22 ASN A2071 5.552 -7.786 4.137 1.00 34.14 H new ATOM 963 N GLN A2072 8.755 -9.277 -0.090 1.00 14.51 N ATOM 964 CA GLN A2072 10.070 -9.016 -0.647 1.00 42.31 C ATOM 965 C GLN A2072 9.945 -8.362 -2.024 1.00 21.13 C ATOM 966 O GLN A2072 10.690 -7.439 -2.347 1.00 54.55 O ATOM 967 CB GLN A2072 10.898 -10.301 -0.724 1.00 35.10 C ATOM 968 CG GLN A2072 11.946 -10.347 0.391 1.00 31.51 C ATOM 969 CD GLN A2072 13.304 -9.863 -0.112 1.00 3.23 C ATOM 970 OE1 GLN A2072 14.055 -10.589 -0.744 1.00 25.12 O ATOM 971 NE2 GLN A2072 13.581 -8.600 0.201 1.00 24.44 N ATOM 0 H GLN A2072 8.458 -10.252 -0.136 1.00 14.51 H new ATOM 0 HA GLN A2072 10.592 -8.325 0.015 1.00 42.31 H new ATOM 0 HB2 GLN A2072 10.240 -11.167 -0.646 1.00 35.10 H new ATOM 0 HB3 GLN A2072 11.391 -10.362 -1.694 1.00 35.10 H new ATOM 0 HG2 GLN A2072 11.621 -9.726 1.226 1.00 31.51 H new ATOM 0 HG3 GLN A2072 12.036 -11.366 0.768 1.00 31.51 H new ATOM 0 HE21 GLN A2072 12.908 -8.047 0.732 1.00 24.44 H new ATOM 0 HE22 GLN A2072 14.466 -8.185 -0.090 1.00 24.44 H new ATOM 980 N ALA A2073 8.998 -8.868 -2.800 1.00 24.13 N ATOM 981 CA ALA A2073 8.764 -8.344 -4.136 1.00 73.42 C ATOM 982 C ALA A2073 8.395 -6.863 -4.039 1.00 4.33 C ATOM 983 O ALA A2073 8.839 -6.056 -4.855 1.00 65.15 O ATOM 984 CB ALA A2073 7.679 -9.173 -4.826 1.00 75.11 C ATOM 0 H ALA A2073 8.383 -9.636 -2.530 1.00 24.13 H new ATOM 0 HA ALA A2073 9.666 -8.420 -4.743 1.00 73.42 H new ATOM 0 HB1 ALA A2073 7.503 -8.781 -5.828 1.00 75.11 H new ATOM 0 HB2 ALA A2073 8.003 -10.211 -4.895 1.00 75.11 H new ATOM 0 HB3 ALA A2073 6.757 -9.118 -4.248 1.00 75.11 H new ATOM 990 N TYR A2074 7.586 -6.551 -3.038 1.00 41.11 N ATOM 991 CA TYR A2074 7.152 -5.180 -2.827 1.00 75.13 C ATOM 992 C TYR A2074 8.100 -4.445 -1.878 1.00 72.24 C ATOM 993 O TYR A2074 8.128 -3.216 -1.851 1.00 23.33 O ATOM 994 CB TYR A2074 5.769 -5.271 -2.178 1.00 70.12 C ATOM 995 CG TYR A2074 4.678 -5.806 -3.109 1.00 40.31 C ATOM 996 CD1 TYR A2074 4.887 -6.973 -3.815 1.00 31.50 C ATOM 997 CD2 TYR A2074 3.488 -5.120 -3.241 1.00 4.55 C ATOM 998 CE1 TYR A2074 3.860 -7.476 -4.691 1.00 1.12 C ATOM 999 CE2 TYR A2074 2.462 -5.625 -4.119 1.00 55.34 C ATOM 1000 CZ TYR A2074 2.699 -6.777 -4.799 1.00 3.34 C ATOM 1001 OH TYR A2074 1.729 -7.251 -5.627 1.00 22.05 O ATOM 0 H TYR A2074 7.219 -7.223 -2.364 1.00 41.11 H new ATOM 0 HA TYR A2074 7.137 -4.633 -3.770 1.00 75.13 H new ATOM 0 HB2 TYR A2074 5.832 -5.915 -1.301 1.00 70.12 H new ATOM 0 HB3 TYR A2074 5.478 -4.281 -1.826 1.00 70.12 H new ATOM 0 HD1 TYR A2074 5.819 -7.508 -3.711 1.00 31.50 H new ATOM 0 HD2 TYR A2074 3.326 -4.207 -2.688 1.00 4.55 H new ATOM 0 HE1 TYR A2074 4.009 -8.388 -5.250 1.00 1.12 H new ATOM 0 HE2 TYR A2074 1.526 -5.099 -4.234 1.00 55.34 H new ATOM 0 HH TYR A2074 2.139 -7.599 -6.446 1.00 22.05 H new ATOM 1011 N GLY A2075 8.854 -5.229 -1.121 1.00 52.14 N ATOM 1012 CA GLY A2075 9.802 -4.667 -0.173 1.00 72.41 C ATOM 1013 C GLY A2075 10.417 -3.376 -0.714 1.00 13.51 C ATOM 1014 O GLY A2075 10.463 -2.364 -0.014 1.00 21.24 O ATOM 0 H GLY A2075 8.828 -6.248 -1.145 1.00 52.14 H new ATOM 0 HA2 GLY A2075 9.300 -4.466 0.773 1.00 72.41 H new ATOM 0 HA3 GLY A2075 10.590 -5.392 0.032 1.00 72.41 H new ATOM 1018 N ARG A2076 10.878 -3.452 -1.953 1.00 1.10 N ATOM 1019 CA ARG A2076 11.490 -2.300 -2.595 1.00 5.43 C ATOM 1020 C ARG A2076 10.424 -1.265 -2.959 1.00 44.12 C ATOM 1021 O ARG A2076 10.617 -0.069 -2.748 1.00 2.22 O ATOM 1022 CB ARG A2076 12.244 -2.712 -3.861 1.00 3.32 C ATOM 1023 CG ARG A2076 13.004 -1.524 -4.459 1.00 33.42 C ATOM 1024 CD ARG A2076 12.722 -1.390 -5.955 1.00 24.13 C ATOM 1025 NE ARG A2076 13.359 -2.505 -6.693 1.00 64.34 N ATOM 1026 CZ ARG A2076 13.193 -2.731 -8.013 1.00 63.31 C ATOM 1027 NH1 ARG A2076 12.407 -1.921 -8.754 1.00 33.14 N ATOM 1028 NH2 ARG A2076 13.811 -3.756 -8.569 1.00 1.23 N ATOM 0 H ARG A2076 10.841 -4.292 -2.530 1.00 1.10 H new ATOM 0 HA ARG A2076 12.197 -1.864 -1.889 1.00 5.43 H new ATOM 0 HB2 ARG A2076 12.943 -3.515 -3.627 1.00 3.32 H new ATOM 0 HB3 ARG A2076 11.541 -3.105 -4.595 1.00 3.32 H new ATOM 0 HG2 ARG A2076 12.713 -0.607 -3.947 1.00 33.42 H new ATOM 0 HG3 ARG A2076 14.074 -1.654 -4.297 1.00 33.42 H new ATOM 0 HD2 ARG A2076 11.647 -1.393 -6.132 1.00 24.13 H new ATOM 0 HD3 ARG A2076 13.103 -0.436 -6.321 1.00 24.13 H new ATOM 0 HE ARG A2076 13.961 -3.142 -6.171 1.00 64.34 H new ATOM 0 HH11 ARG A2076 11.933 -1.131 -8.317 1.00 33.14 H new ATOM 0 HH12 ARG A2076 12.287 -2.099 -9.751 1.00 33.14 H new ATOM 0 HH21 ARG A2076 14.403 -4.363 -8.002 1.00 1.23 H new ATOM 0 HH22 ARG A2076 13.696 -3.941 -9.565 1.00 1.23 H new ATOM 1040 N ASP A2077 9.321 -1.764 -3.499 1.00 32.10 N ATOM 1041 CA ASP A2077 8.224 -0.898 -3.894 1.00 74.50 C ATOM 1042 C ASP A2077 7.774 -0.070 -2.688 1.00 4.12 C ATOM 1043 O ASP A2077 7.917 1.152 -2.683 1.00 11.22 O ATOM 1044 CB ASP A2077 7.024 -1.715 -4.378 1.00 41.25 C ATOM 1045 CG ASP A2077 7.190 -2.350 -5.760 1.00 31.13 C ATOM 1046 OD1 ASP A2077 8.316 -2.524 -6.252 1.00 42.24 O ATOM 1047 OD2 ASP A2077 6.089 -2.680 -6.345 1.00 62.15 O ATOM 0 H ASP A2077 9.164 -2.757 -3.672 1.00 32.10 H new ATOM 0 HA ASP A2077 8.575 -0.257 -4.703 1.00 74.50 H new ATOM 0 HB2 ASP A2077 6.825 -2.505 -3.653 1.00 41.25 H new ATOM 0 HB3 ASP A2077 6.146 -1.069 -4.395 1.00 41.25 H new ATOM 1053 N LEU A2078 7.240 -0.767 -1.696 1.00 72.25 N ATOM 1054 CA LEU A2078 6.771 -0.110 -0.489 1.00 72.12 C ATOM 1055 C LEU A2078 7.886 0.772 0.075 1.00 11.11 C ATOM 1056 O LEU A2078 7.619 1.827 0.649 1.00 35.33 O ATOM 1057 CB LEU A2078 6.239 -1.141 0.510 1.00 3.11 C ATOM 1058 CG LEU A2078 4.834 -1.682 0.231 1.00 1.11 C ATOM 1059 CD1 LEU A2078 4.232 -2.317 1.485 1.00 21.10 C ATOM 1060 CD2 LEU A2078 3.931 -0.591 -0.349 1.00 64.02 C ATOM 0 H LEU A2078 7.122 -1.780 -1.704 1.00 72.25 H new ATOM 0 HA LEU A2078 5.930 0.545 -0.716 1.00 72.12 H new ATOM 0 HB2 LEU A2078 6.932 -1.982 0.538 1.00 3.11 H new ATOM 0 HB3 LEU A2078 6.243 -0.691 1.503 1.00 3.11 H new ATOM 0 HG LEU A2078 4.914 -2.467 -0.521 1.00 1.11 H new ATOM 0 HD11 LEU A2078 3.234 -2.693 1.259 1.00 21.10 H new ATOM 0 HD12 LEU A2078 4.864 -3.141 1.815 1.00 21.10 H new ATOM 0 HD13 LEU A2078 4.168 -1.570 2.276 1.00 21.10 H new ATOM 0 HD21 LEU A2078 2.939 -1.002 -0.538 1.00 64.02 H new ATOM 0 HD22 LEU A2078 3.853 0.233 0.361 1.00 64.02 H new ATOM 0 HD23 LEU A2078 4.356 -0.225 -1.284 1.00 64.02 H new ATOM 1072 N MET A2079 9.113 0.307 -0.107 1.00 41.00 N ATOM 1073 CA MET A2079 10.271 1.040 0.376 1.00 50.43 C ATOM 1074 C MET A2079 10.314 2.450 -0.217 1.00 75.42 C ATOM 1075 O MET A2079 10.518 3.426 0.505 1.00 23.43 O ATOM 1076 CB MET A2079 11.549 0.287 -0.003 1.00 62.45 C ATOM 1077 CG MET A2079 12.220 -0.310 1.233 1.00 4.15 C ATOM 1078 SD MET A2079 13.067 -1.820 0.798 1.00 60.22 S ATOM 1079 CE MET A2079 12.324 -2.941 1.972 1.00 71.21 C ATOM 0 H MET A2079 9.331 -0.569 -0.583 1.00 41.00 H new ATOM 0 HA MET A2079 10.197 1.124 1.460 1.00 50.43 H new ATOM 0 HB2 MET A2079 11.311 -0.507 -0.711 1.00 62.45 H new ATOM 0 HB3 MET A2079 12.240 0.965 -0.504 1.00 62.45 H new ATOM 0 HG2 MET A2079 12.927 0.405 1.654 1.00 4.15 H new ATOM 0 HG3 MET A2079 11.473 -0.510 2.001 1.00 4.15 H new ATOM 0 HE1 MET A2079 12.280 -3.942 1.542 1.00 71.21 H new ATOM 0 HE2 MET A2079 12.922 -2.963 2.883 1.00 71.21 H new ATOM 0 HE3 MET A2079 11.315 -2.604 2.209 1.00 71.21 H new ATOM 1089 N GLU A2080 10.118 2.513 -1.526 1.00 12.33 N ATOM 1090 CA GLU A2080 10.131 3.786 -2.224 1.00 51.43 C ATOM 1091 C GLU A2080 8.944 4.646 -1.787 1.00 30.33 C ATOM 1092 O GLU A2080 9.123 5.770 -1.318 1.00 11.13 O ATOM 1093 CB GLU A2080 10.130 3.582 -3.740 1.00 42.21 C ATOM 1094 CG GLU A2080 10.451 4.886 -4.471 1.00 74.42 C ATOM 1095 CD GLU A2080 10.843 4.618 -5.926 1.00 11.13 C ATOM 1096 OE1 GLU A2080 10.037 4.073 -6.695 1.00 31.50 O ATOM 1097 OE2 GLU A2080 12.031 4.999 -6.250 1.00 61.01 O ATOM 0 H GLU A2080 9.949 1.702 -2.121 1.00 12.33 H new ATOM 0 HA GLU A2080 11.050 4.310 -1.961 1.00 51.43 H new ATOM 0 HB2 GLU A2080 10.863 2.821 -4.008 1.00 42.21 H new ATOM 0 HB3 GLU A2080 9.156 3.213 -4.060 1.00 42.21 H new ATOM 0 HG2 GLU A2080 9.585 5.547 -4.440 1.00 74.42 H new ATOM 0 HG3 GLU A2080 11.264 5.402 -3.961 1.00 74.42 H new ATOM 1105 N ALA A2081 7.755 4.084 -1.952 1.00 30.31 N ATOM 1106 CA ALA A2081 6.538 4.783 -1.579 1.00 53.34 C ATOM 1107 C ALA A2081 6.610 5.170 -0.102 1.00 75.21 C ATOM 1108 O ALA A2081 6.222 6.275 0.276 1.00 64.41 O ATOM 1109 CB ALA A2081 5.327 3.905 -1.894 1.00 24.20 C ATOM 0 H ALA A2081 7.609 3.152 -2.339 1.00 30.31 H new ATOM 0 HA ALA A2081 6.432 5.702 -2.155 1.00 53.34 H new ATOM 0 HB1 ALA A2081 4.414 4.430 -1.614 1.00 24.20 H new ATOM 0 HB2 ALA A2081 5.306 3.684 -2.961 1.00 24.20 H new ATOM 0 HB3 ALA A2081 5.397 2.974 -1.332 1.00 24.20 H new ATOM 1115 N GLN A2082 7.109 4.239 0.699 1.00 20.11 N ATOM 1116 CA GLN A2082 7.236 4.469 2.126 1.00 22.14 C ATOM 1117 C GLN A2082 8.185 5.637 2.394 1.00 43.31 C ATOM 1118 O GLN A2082 7.982 6.403 3.336 1.00 53.35 O ATOM 1119 CB GLN A2082 7.710 3.203 2.846 1.00 5.42 C ATOM 1120 CG GLN A2082 7.858 3.449 4.348 1.00 11.21 C ATOM 1121 CD GLN A2082 6.865 2.598 5.143 1.00 45.15 C ATOM 1122 OE1 GLN A2082 6.991 1.389 5.252 1.00 22.42 O ATOM 1123 NE2 GLN A2082 5.873 3.295 5.690 1.00 10.54 N ATOM 0 H GLN A2082 7.430 3.323 0.385 1.00 20.11 H new ATOM 0 HA GLN A2082 6.253 4.727 2.520 1.00 22.14 H new ATOM 0 HB2 GLN A2082 6.999 2.395 2.675 1.00 5.42 H new ATOM 0 HB3 GLN A2082 8.665 2.880 2.431 1.00 5.42 H new ATOM 0 HG2 GLN A2082 8.876 3.214 4.660 1.00 11.21 H new ATOM 0 HG3 GLN A2082 7.694 4.504 4.565 1.00 11.21 H new ATOM 0 HE21 GLN A2082 5.827 4.306 5.559 1.00 10.54 H new ATOM 0 HE22 GLN A2082 5.158 2.819 6.240 1.00 10.54 H new ATOM 1132 N GLU A2083 9.200 5.742 1.549 1.00 31.25 N ATOM 1133 CA GLU A2083 10.180 6.805 1.682 1.00 55.02 C ATOM 1134 C GLU A2083 9.536 8.160 1.384 1.00 52.41 C ATOM 1135 O GLU A2083 9.856 9.159 2.029 1.00 42.04 O ATOM 1136 CB GLU A2083 11.384 6.558 0.772 1.00 11.32 C ATOM 1137 CG GLU A2083 11.617 7.745 -0.165 1.00 25.44 C ATOM 1138 CD GLU A2083 12.908 7.567 -0.968 1.00 65.41 C ATOM 1139 OE1 GLU A2083 12.852 7.288 -2.174 1.00 4.41 O ATOM 1140 OE2 GLU A2083 13.994 7.729 -0.294 1.00 11.43 O ATOM 0 H GLU A2083 9.365 5.107 0.768 1.00 31.25 H new ATOM 0 HA GLU A2083 10.540 6.814 2.711 1.00 55.02 H new ATOM 0 HB2 GLU A2083 12.274 6.389 1.378 1.00 11.32 H new ATOM 0 HB3 GLU A2083 11.221 5.654 0.185 1.00 11.32 H new ATOM 0 HG2 GLU A2083 10.772 7.846 -0.846 1.00 25.44 H new ATOM 0 HG3 GLU A2083 11.670 8.666 0.416 1.00 25.44 H new ATOM 1148 N TRP A2084 8.640 8.152 0.407 1.00 41.30 N ATOM 1149 CA TRP A2084 7.949 9.368 0.016 1.00 41.14 C ATOM 1150 C TRP A2084 6.880 9.664 1.070 1.00 30.22 C ATOM 1151 O TRP A2084 6.422 10.799 1.195 1.00 42.43 O ATOM 1152 CB TRP A2084 7.378 9.243 -1.397 1.00 62.44 C ATOM 1153 CG TRP A2084 8.441 9.126 -2.490 1.00 44.53 C ATOM 1154 CD1 TRP A2084 8.848 8.022 -3.132 1.00 42.23 C ATOM 1155 CD2 TRP A2084 9.223 10.203 -3.049 1.00 14.03 C ATOM 1156 NE1 TRP A2084 9.830 8.308 -4.057 1.00 11.24 N ATOM 1157 CE2 TRP A2084 10.066 9.676 -4.006 1.00 55.22 C ATOM 1158 CE3 TRP A2084 9.220 11.579 -2.755 1.00 33.54 C ATOM 1159 CZ2 TRP A2084 10.967 10.451 -4.746 1.00 72.11 C ATOM 1160 CZ3 TRP A2084 10.124 12.340 -3.503 1.00 33.53 C ATOM 1161 CH2 TRP A2084 10.980 11.825 -4.470 1.00 60.10 C ATOM 0 H TRP A2084 8.377 7.322 -0.125 1.00 41.30 H new ATOM 0 HA TRP A2084 8.641 10.210 -0.023 1.00 41.14 H new ATOM 0 HB2 TRP A2084 6.730 8.368 -1.440 1.00 62.44 H new ATOM 0 HB3 TRP A2084 6.754 10.112 -1.604 1.00 62.44 H new ATOM 0 HD1 TRP A2084 8.456 7.033 -2.948 1.00 42.23 H new ATOM 0 HE1 TRP A2084 10.298 7.638 -4.667 1.00 11.24 H new ATOM 0 HE3 TRP A2084 8.570 12.014 -2.010 1.00 33.54 H new ATOM 0 HZ2 TRP A2084 11.617 10.014 -5.489 1.00 72.11 H new ATOM 0 HZ3 TRP A2084 10.160 13.403 -3.316 1.00 33.53 H new ATOM 0 HH2 TRP A2084 11.651 12.480 -5.005 1.00 60.10 H new ATOM 1172 N CYS A2085 6.511 8.621 1.801 1.00 41.55 N ATOM 1173 CA CYS A2085 5.504 8.755 2.840 1.00 60.43 C ATOM 1174 C CYS A2085 6.107 9.559 3.993 1.00 73.31 C ATOM 1175 O CYS A2085 5.604 10.627 4.340 1.00 30.02 O ATOM 1176 CB CYS A2085 4.986 7.393 3.304 1.00 64.33 C ATOM 1177 SG CYS A2085 4.131 7.563 4.913 1.00 3.03 S ATOM 0 H CYS A2085 6.891 7.681 1.694 1.00 41.55 H new ATOM 0 HA CYS A2085 4.637 9.284 2.444 1.00 60.43 H new ATOM 0 HB2 CYS A2085 4.302 6.983 2.561 1.00 64.33 H new ATOM 0 HB3 CYS A2085 5.815 6.691 3.396 1.00 64.33 H new ATOM 0 HG CYS A2085 3.203 8.468 4.818 1.00 3.03 H new ATOM 1183 N ARG A2086 7.176 9.016 4.557 1.00 24.42 N ATOM 1184 CA ARG A2086 7.853 9.670 5.664 1.00 23.32 C ATOM 1185 C ARG A2086 8.491 10.980 5.198 1.00 24.33 C ATOM 1186 O ARG A2086 8.664 11.905 5.988 1.00 51.32 O ATOM 1187 CB ARG A2086 8.936 8.766 6.257 1.00 33.22 C ATOM 1188 CG ARG A2086 10.234 8.864 5.455 1.00 70.44 C ATOM 1189 CD ARG A2086 10.909 7.497 5.333 1.00 61.43 C ATOM 1190 NE ARG A2086 12.360 7.666 5.106 1.00 64.41 N ATOM 1191 CZ ARG A2086 12.893 8.206 3.989 1.00 50.41 C ATOM 1192 NH1 ARG A2086 12.096 8.634 2.988 1.00 25.23 N ATOM 1193 NH2 ARG A2086 14.206 8.310 3.893 1.00 65.14 N ATOM 0 H ARG A2086 7.590 8.130 4.268 1.00 24.42 H new ATOM 0 HA ARG A2086 7.108 9.879 6.432 1.00 23.32 H new ATOM 0 HB2 ARG A2086 9.123 9.048 7.293 1.00 33.22 H new ATOM 0 HB3 ARG A2086 8.587 7.733 6.266 1.00 33.22 H new ATOM 0 HG2 ARG A2086 10.022 9.259 4.461 1.00 70.44 H new ATOM 0 HG3 ARG A2086 10.912 9.566 5.939 1.00 70.44 H new ATOM 0 HD2 ARG A2086 10.740 6.917 6.240 1.00 61.43 H new ATOM 0 HD3 ARG A2086 10.467 6.937 4.509 1.00 61.43 H new ATOM 0 HE ARG A2086 12.998 7.355 5.839 1.00 64.41 H new ATOM 0 HH11 ARG A2086 11.083 8.551 3.072 1.00 25.23 H new ATOM 0 HH12 ARG A2086 12.507 9.041 2.148 1.00 25.23 H new ATOM 0 HH21 ARG A2086 14.800 7.985 4.655 1.00 65.14 H new ATOM 0 HH22 ARG A2086 14.626 8.715 3.056 1.00 65.14 H new ATOM 1205 N LYS A2087 8.824 11.014 3.914 1.00 73.43 N ATOM 1206 CA LYS A2087 9.439 12.197 3.334 1.00 22.33 C ATOM 1207 C LYS A2087 8.411 13.327 3.281 1.00 41.25 C ATOM 1208 O LYS A2087 8.755 14.494 3.469 1.00 65.33 O ATOM 1209 CB LYS A2087 10.059 11.864 1.975 1.00 55.11 C ATOM 1210 CG LYS A2087 10.536 13.133 1.265 1.00 34.11 C ATOM 1211 CD LYS A2087 9.708 13.399 0.005 1.00 11.40 C ATOM 1212 CE LYS A2087 9.296 14.869 -0.079 1.00 71.21 C ATOM 1213 NZ LYS A2087 10.091 15.574 -1.109 1.00 2.23 N ATOM 0 H LYS A2087 8.680 10.243 3.261 1.00 73.43 H new ATOM 0 HA LYS A2087 10.262 12.545 3.958 1.00 22.33 H new ATOM 0 HB2 LYS A2087 10.898 11.182 2.111 1.00 55.11 H new ATOM 0 HB3 LYS A2087 9.327 11.348 1.354 1.00 55.11 H new ATOM 0 HG2 LYS A2087 10.459 13.984 1.942 1.00 34.11 H new ATOM 0 HG3 LYS A2087 11.588 13.032 0.999 1.00 34.11 H new ATOM 0 HD2 LYS A2087 10.286 13.129 -0.878 1.00 11.40 H new ATOM 0 HD3 LYS A2087 8.819 12.768 0.010 1.00 11.40 H new ATOM 0 HE2 LYS A2087 8.235 14.942 -0.318 1.00 71.21 H new ATOM 0 HE3 LYS A2087 9.439 15.348 0.890 1.00 71.21 H new ATOM 0 HZ1 LYS A2087 9.798 16.571 -1.152 1.00 2.23 H new ATOM 0 HZ2 LYS A2087 11.101 15.520 -0.865 1.00 2.23 H new ATOM 0 HZ3 LYS A2087 9.934 15.127 -2.035 1.00 2.23 H new ATOM 1226 N TYR A2088 7.168 12.943 3.024 1.00 53.23 N ATOM 1227 CA TYR A2088 6.087 13.911 2.943 1.00 55.22 C ATOM 1228 C TYR A2088 5.714 14.434 4.331 1.00 32.14 C ATOM 1229 O TYR A2088 5.560 15.639 4.523 1.00 15.33 O ATOM 1230 CB TYR A2088 4.891 13.159 2.355 1.00 41.14 C ATOM 1231 CG TYR A2088 3.537 13.783 2.697 1.00 63.50 C ATOM 1232 CD1 TYR A2088 3.035 14.811 1.925 1.00 45.41 C ATOM 1233 CD2 TYR A2088 2.814 13.317 3.777 1.00 4.13 C ATOM 1234 CE1 TYR A2088 1.760 15.398 2.246 1.00 4.02 C ATOM 1235 CE2 TYR A2088 1.540 13.903 4.100 1.00 63.35 C ATOM 1236 CZ TYR A2088 1.075 14.915 3.317 1.00 15.24 C ATOM 1237 OH TYR A2088 -0.130 15.468 3.620 1.00 12.15 O ATOM 0 H TYR A2088 6.886 11.975 2.869 1.00 53.23 H new ATOM 0 HA TYR A2088 6.382 14.767 2.336 1.00 55.22 H new ATOM 0 HB2 TYR A2088 4.998 13.118 1.271 1.00 41.14 H new ATOM 0 HB3 TYR A2088 4.908 12.131 2.716 1.00 41.14 H new ATOM 0 HD1 TYR A2088 3.599 15.176 1.079 1.00 45.41 H new ATOM 0 HD2 TYR A2088 3.205 12.511 4.380 1.00 4.13 H new ATOM 0 HE1 TYR A2088 1.357 16.203 1.650 1.00 4.02 H new ATOM 0 HE2 TYR A2088 0.966 13.548 4.944 1.00 63.35 H new ATOM 0 HH TYR A2088 -0.335 16.178 2.977 1.00 12.15 H new ATOM 1247 N MET A2089 5.581 13.501 5.263 1.00 71.34 N ATOM 1248 CA MET A2089 5.229 13.853 6.628 1.00 71.32 C ATOM 1249 C MET A2089 6.313 14.723 7.267 1.00 64.24 C ATOM 1250 O MET A2089 6.011 15.603 8.074 1.00 4.33 O ATOM 1251 CB MET A2089 5.048 12.578 7.453 1.00 33.15 C ATOM 1252 CG MET A2089 3.795 11.814 7.015 1.00 45.53 C ATOM 1253 SD MET A2089 2.920 11.204 8.445 1.00 50.52 S ATOM 1254 CE MET A2089 1.257 11.700 8.025 1.00 73.22 C ATOM 0 H MET A2089 5.711 12.503 5.100 1.00 71.34 H new ATOM 0 HA MET A2089 4.298 14.420 6.608 1.00 71.32 H new ATOM 0 HB2 MET A2089 5.925 11.940 7.341 1.00 33.15 H new ATOM 0 HB3 MET A2089 4.972 12.832 8.510 1.00 33.15 H new ATOM 0 HG2 MET A2089 3.146 12.468 6.433 1.00 45.53 H new ATOM 0 HG3 MET A2089 4.074 10.983 6.367 1.00 45.53 H new ATOM 0 HE1 MET A2089 0.556 10.927 8.340 1.00 73.22 H new ATOM 0 HE2 MET A2089 1.017 12.635 8.531 1.00 73.22 H new ATOM 0 HE3 MET A2089 1.181 11.841 6.947 1.00 73.22 H new ATOM 1264 N LYS A2090 7.551 14.452 6.882 1.00 21.44 N ATOM 1265 CA LYS A2090 8.680 15.199 7.406 1.00 63.11 C ATOM 1266 C LYS A2090 8.887 16.459 6.564 1.00 44.34 C ATOM 1267 O LYS A2090 9.011 17.558 7.104 1.00 5.20 O ATOM 1268 CB LYS A2090 9.919 14.306 7.493 1.00 34.41 C ATOM 1269 CG LYS A2090 10.671 14.538 8.806 1.00 45.53 C ATOM 1270 CD LYS A2090 11.607 15.745 8.694 1.00 72.40 C ATOM 1271 CE LYS A2090 11.524 16.619 9.949 1.00 22.32 C ATOM 1272 NZ LYS A2090 12.820 16.625 10.662 1.00 43.42 N ATOM 0 H LYS A2090 7.797 13.724 6.212 1.00 21.44 H new ATOM 0 HA LYS A2090 8.480 15.527 8.426 1.00 63.11 H new ATOM 0 HB2 LYS A2090 9.623 13.259 7.419 1.00 34.41 H new ATOM 0 HB3 LYS A2090 10.579 14.511 6.650 1.00 34.41 H new ATOM 0 HG2 LYS A2090 9.958 14.700 9.614 1.00 45.53 H new ATOM 0 HG3 LYS A2090 11.247 13.649 9.062 1.00 45.53 H new ATOM 0 HD2 LYS A2090 12.632 15.403 8.551 1.00 72.40 H new ATOM 0 HD3 LYS A2090 11.342 16.335 7.817 1.00 72.40 H new ATOM 0 HE2 LYS A2090 11.249 17.637 9.673 1.00 22.32 H new ATOM 0 HE3 LYS A2090 10.741 16.245 10.609 1.00 22.32 H new ATOM 0 HZ1 LYS A2090 12.747 17.222 11.510 1.00 43.42 H new ATOM 0 HZ2 LYS A2090 13.067 15.654 10.942 1.00 43.42 H new ATOM 0 HZ3 LYS A2090 13.559 17.003 10.036 1.00 43.42 H new ATOM 1285 N SER A2091 8.920 16.258 5.254 1.00 33.42 N ATOM 1286 CA SER A2091 9.109 17.365 4.331 1.00 0.53 C ATOM 1287 C SER A2091 7.794 18.127 4.150 1.00 2.24 C ATOM 1288 O SER A2091 7.664 19.262 4.607 1.00 75.41 O ATOM 1289 CB SER A2091 9.628 16.872 2.979 1.00 40.13 C ATOM 1290 OG SER A2091 10.266 17.911 2.242 1.00 34.22 O ATOM 0 H SER A2091 8.819 15.345 4.810 1.00 33.42 H new ATOM 0 HA SER A2091 9.856 18.038 4.753 1.00 0.53 H new ATOM 0 HB2 SER A2091 10.332 16.055 3.137 1.00 40.13 H new ATOM 0 HB3 SER A2091 8.799 16.471 2.397 1.00 40.13 H new ATOM 0 HG SER A2091 10.585 17.556 1.386 1.00 34.22 H new ATOM 1296 N GLY A2092 6.856 17.473 3.483 1.00 13.42 N ATOM 1297 CA GLY A2092 5.557 18.075 3.235 1.00 43.11 C ATOM 1298 C GLY A2092 5.472 18.633 1.813 1.00 53.22 C ATOM 1299 O GLY A2092 5.841 19.780 1.569 1.00 70.50 O ATOM 0 H GLY A2092 6.969 16.532 3.106 1.00 13.42 H new ATOM 0 HA2 GLY A2092 4.774 17.332 3.385 1.00 43.11 H new ATOM 0 HA3 GLY A2092 5.380 18.875 3.954 1.00 43.11 H new ATOM 1303 N ASN A2093 4.985 17.793 0.911 1.00 63.41 N ATOM 1304 CA ASN A2093 4.848 18.189 -0.482 1.00 35.01 C ATOM 1305 C ASN A2093 3.755 17.345 -1.140 1.00 44.12 C ATOM 1306 O ASN A2093 3.753 16.121 -1.024 1.00 33.00 O ATOM 1307 CB ASN A2093 6.150 17.958 -1.250 1.00 4.44 C ATOM 1308 CG ASN A2093 6.726 19.279 -1.763 1.00 65.43 C ATOM 1309 OD1 ASN A2093 6.046 20.085 -2.377 1.00 41.23 O ATOM 1310 ND2 ASN A2093 8.012 19.456 -1.477 1.00 3.24 N ATOM 0 H ASN A2093 4.681 16.841 1.116 1.00 63.41 H new ATOM 0 HA ASN A2093 4.597 19.249 -0.509 1.00 35.01 H new ATOM 0 HB2 ASN A2093 6.876 17.468 -0.602 1.00 4.44 H new ATOM 0 HB3 ASN A2093 5.967 17.287 -2.089 1.00 4.44 H new ATOM 0 HD21 ASN A2093 8.488 20.307 -1.775 1.00 3.24 H new ATOM 0 HD22 ASN A2093 8.522 18.741 -0.959 1.00 3.24 H new ATOM 1317 N VAL A2094 2.851 18.034 -1.820 1.00 72.32 N ATOM 1318 CA VAL A2094 1.754 17.364 -2.498 1.00 14.30 C ATOM 1319 C VAL A2094 2.312 16.484 -3.619 1.00 75.02 C ATOM 1320 O VAL A2094 1.970 15.307 -3.719 1.00 15.11 O ATOM 1321 CB VAL A2094 0.739 18.396 -2.999 1.00 30.13 C ATOM 1322 CG1 VAL A2094 -0.045 17.856 -4.196 1.00 44.45 C ATOM 1323 CG2 VAL A2094 -0.205 18.827 -1.875 1.00 41.22 C ATOM 0 H VAL A2094 2.855 19.049 -1.916 1.00 72.32 H new ATOM 0 HA VAL A2094 1.221 16.711 -1.806 1.00 14.30 H new ATOM 0 HB VAL A2094 1.291 19.276 -3.329 1.00 30.13 H new ATOM 0 HG11 VAL A2094 -0.759 18.608 -4.533 1.00 44.45 H new ATOM 0 HG12 VAL A2094 0.645 17.622 -5.007 1.00 44.45 H new ATOM 0 HG13 VAL A2094 -0.580 16.953 -3.903 1.00 44.45 H new ATOM 0 HG21 VAL A2094 -0.915 19.560 -2.257 1.00 41.22 H new ATOM 0 HG22 VAL A2094 -0.746 17.958 -1.501 1.00 41.22 H new ATOM 0 HG23 VAL A2094 0.373 19.271 -1.064 1.00 41.22 H new ATOM 1333 N LYS A2095 3.165 17.090 -4.433 1.00 2.51 N ATOM 1334 CA LYS A2095 3.776 16.376 -5.541 1.00 24.14 C ATOM 1335 C LYS A2095 4.350 15.052 -5.036 1.00 74.21 C ATOM 1336 O LYS A2095 4.111 14.000 -5.628 1.00 30.30 O ATOM 1337 CB LYS A2095 4.804 17.262 -6.248 1.00 54.05 C ATOM 1338 CG LYS A2095 4.873 16.938 -7.742 1.00 32.04 C ATOM 1339 CD LYS A2095 6.135 17.528 -8.373 1.00 11.34 C ATOM 1340 CE LYS A2095 7.127 16.425 -8.748 1.00 2.44 C ATOM 1341 NZ LYS A2095 8.005 16.872 -9.852 1.00 53.52 N ATOM 0 H LYS A2095 3.447 18.067 -4.347 1.00 2.51 H new ATOM 0 HA LYS A2095 3.027 16.132 -6.295 1.00 24.14 H new ATOM 0 HB2 LYS A2095 4.540 18.311 -6.112 1.00 54.05 H new ATOM 0 HB3 LYS A2095 5.785 17.119 -5.796 1.00 54.05 H new ATOM 0 HG2 LYS A2095 4.862 15.857 -7.884 1.00 32.04 H new ATOM 0 HG3 LYS A2095 3.991 17.335 -8.245 1.00 32.04 H new ATOM 0 HD2 LYS A2095 5.868 18.100 -9.262 1.00 11.34 H new ATOM 0 HD3 LYS A2095 6.604 18.222 -7.676 1.00 11.34 H new ATOM 0 HE2 LYS A2095 7.731 16.160 -7.880 1.00 2.44 H new ATOM 0 HE3 LYS A2095 6.586 15.527 -9.046 1.00 2.44 H new ATOM 0 HZ1 LYS A2095 8.672 16.112 -10.094 1.00 53.52 H new ATOM 0 HZ2 LYS A2095 7.426 17.103 -10.684 1.00 53.52 H new ATOM 0 HZ3 LYS A2095 8.535 17.716 -9.554 1.00 53.52 H new ATOM 1354 N ASP A2096 5.096 15.145 -3.945 1.00 11.15 N ATOM 1355 CA ASP A2096 5.706 13.967 -3.351 1.00 21.21 C ATOM 1356 C ASP A2096 4.608 13.029 -2.848 1.00 1.24 C ATOM 1357 O ASP A2096 4.675 11.818 -3.061 1.00 13.21 O ATOM 1358 CB ASP A2096 6.590 14.344 -2.162 1.00 53.52 C ATOM 1359 CG ASP A2096 6.044 13.926 -0.794 1.00 41.21 C ATOM 1360 OD1 ASP A2096 5.647 14.772 0.021 1.00 1.50 O ATOM 1361 OD2 ASP A2096 6.037 12.655 -0.575 1.00 72.02 O ATOM 0 H ASP A2096 5.292 16.019 -3.456 1.00 11.15 H new ATOM 0 HA ASP A2096 6.317 13.483 -4.113 1.00 21.21 H new ATOM 0 HB2 ASP A2096 7.571 13.890 -2.299 1.00 53.52 H new ATOM 0 HB3 ASP A2096 6.735 15.424 -2.164 1.00 53.52 H new ATOM 1367 N LEU A2097 3.623 13.621 -2.188 1.00 31.23 N ATOM 1368 CA LEU A2097 2.513 12.853 -1.652 1.00 22.44 C ATOM 1369 C LEU A2097 1.896 12.010 -2.770 1.00 65.53 C ATOM 1370 O LEU A2097 1.694 10.808 -2.606 1.00 74.42 O ATOM 1371 CB LEU A2097 1.512 13.774 -0.952 1.00 11.31 C ATOM 1372 CG LEU A2097 0.146 13.166 -0.638 1.00 3.34 C ATOM 1373 CD1 LEU A2097 0.289 11.734 -0.118 1.00 65.31 C ATOM 1374 CD2 LEU A2097 -0.641 14.051 0.332 1.00 22.20 C ATOM 0 H LEU A2097 3.571 14.624 -2.012 1.00 31.23 H new ATOM 0 HA LEU A2097 2.863 12.161 -0.886 1.00 22.44 H new ATOM 0 HB2 LEU A2097 1.957 14.118 -0.019 1.00 11.31 H new ATOM 0 HB3 LEU A2097 1.360 14.654 -1.577 1.00 11.31 H new ATOM 0 HG LEU A2097 -0.425 13.117 -1.565 1.00 3.34 H new ATOM 0 HD11 LEU A2097 -0.698 11.325 0.098 1.00 65.31 H new ATOM 0 HD12 LEU A2097 0.779 11.120 -0.873 1.00 65.31 H new ATOM 0 HD13 LEU A2097 0.888 11.736 0.793 1.00 65.31 H new ATOM 0 HD21 LEU A2097 -1.609 13.594 0.538 1.00 22.20 H new ATOM 0 HD22 LEU A2097 -0.084 14.156 1.263 1.00 22.20 H new ATOM 0 HD23 LEU A2097 -0.791 15.035 -0.113 1.00 22.20 H new ATOM 1386 N THR A2098 1.612 12.674 -3.880 1.00 61.54 N ATOM 1387 CA THR A2098 1.020 12.001 -5.025 1.00 0.50 C ATOM 1388 C THR A2098 1.939 10.880 -5.517 1.00 75.22 C ATOM 1389 O THR A2098 1.468 9.810 -5.899 1.00 20.44 O ATOM 1390 CB THR A2098 0.724 13.057 -6.091 1.00 23.03 C ATOM 1391 OG1 THR A2098 -0.276 13.880 -5.499 1.00 72.10 O ATOM 1392 CG2 THR A2098 0.037 12.465 -7.324 1.00 64.51 C ATOM 0 H THR A2098 1.781 13.671 -4.012 1.00 61.54 H new ATOM 0 HA THR A2098 0.081 11.515 -4.759 1.00 0.50 H new ATOM 0 HB THR A2098 1.654 13.542 -6.389 1.00 23.03 H new ATOM 0 HG1 THR A2098 0.144 14.504 -4.870 1.00 72.10 H new ATOM 0 HG21 THR A2098 -0.151 13.256 -8.050 1.00 64.51 H new ATOM 0 HG22 THR A2098 0.681 11.708 -7.771 1.00 64.51 H new ATOM 0 HG23 THR A2098 -0.909 12.010 -7.030 1.00 64.51 H new ATOM 1400 N GLN A2099 3.233 11.163 -5.491 1.00 34.33 N ATOM 1401 CA GLN A2099 4.220 10.193 -5.930 1.00 51.20 C ATOM 1402 C GLN A2099 4.058 8.883 -5.155 1.00 32.42 C ATOM 1403 O GLN A2099 4.035 7.806 -5.747 1.00 72.14 O ATOM 1404 CB GLN A2099 5.639 10.747 -5.778 1.00 1.12 C ATOM 1405 CG GLN A2099 6.324 10.877 -7.140 1.00 21.52 C ATOM 1406 CD GLN A2099 7.225 12.112 -7.183 1.00 44.21 C ATOM 1407 OE1 GLN A2099 7.482 12.762 -6.183 1.00 63.13 O ATOM 1408 NE2 GLN A2099 7.692 12.399 -8.395 1.00 20.32 N ATOM 0 H GLN A2099 3.620 12.051 -5.172 1.00 34.33 H new ATOM 0 HA GLN A2099 4.055 9.990 -6.988 1.00 51.20 H new ATOM 0 HB2 GLN A2099 5.603 11.721 -5.290 1.00 1.12 H new ATOM 0 HB3 GLN A2099 6.223 10.090 -5.134 1.00 1.12 H new ATOM 0 HG2 GLN A2099 6.915 9.984 -7.341 1.00 21.52 H new ATOM 0 HG3 GLN A2099 5.571 10.944 -7.925 1.00 21.52 H new ATOM 0 HE21 GLN A2099 7.438 11.814 -9.191 1.00 20.32 H new ATOM 0 HE22 GLN A2099 8.304 13.204 -8.528 1.00 20.32 H new ATOM 1417 N ALA A2100 3.949 9.020 -3.841 1.00 4.31 N ATOM 1418 CA ALA A2100 3.789 7.860 -2.979 1.00 15.12 C ATOM 1419 C ALA A2100 2.481 7.147 -3.328 1.00 50.20 C ATOM 1420 O ALA A2100 2.450 5.924 -3.444 1.00 2.05 O ATOM 1421 CB ALA A2100 3.840 8.302 -1.515 1.00 40.32 C ATOM 0 H ALA A2100 3.968 9.915 -3.353 1.00 4.31 H new ATOM 0 HA ALA A2100 4.602 7.151 -3.134 1.00 15.12 H new ATOM 0 HB1 ALA A2100 3.720 7.433 -0.868 1.00 40.32 H new ATOM 0 HB2 ALA A2100 4.800 8.776 -1.311 1.00 40.32 H new ATOM 0 HB3 ALA A2100 3.036 9.012 -1.321 1.00 40.32 H new ATOM 1427 N TRP A2101 1.435 7.943 -3.484 1.00 62.23 N ATOM 1428 CA TRP A2101 0.127 7.403 -3.817 1.00 72.14 C ATOM 1429 C TRP A2101 0.259 6.615 -5.122 1.00 43.14 C ATOM 1430 O TRP A2101 -0.454 5.636 -5.334 1.00 13.24 O ATOM 1431 CB TRP A2101 -0.922 8.515 -3.893 1.00 63.23 C ATOM 1432 CG TRP A2101 -2.037 8.390 -2.853 1.00 63.21 C ATOM 1433 CD1 TRP A2101 -2.312 9.219 -1.836 1.00 60.21 C ATOM 1434 CD2 TRP A2101 -3.022 7.339 -2.769 1.00 43.01 C ATOM 1435 NE1 TRP A2101 -3.398 8.779 -1.106 1.00 52.43 N ATOM 1436 CE2 TRP A2101 -3.842 7.600 -1.692 1.00 50.21 C ATOM 1437 CE3 TRP A2101 -3.213 6.204 -3.578 1.00 40.33 C ATOM 1438 CZ2 TRP A2101 -4.911 6.773 -1.323 1.00 51.10 C ATOM 1439 CZ3 TRP A2101 -4.284 5.388 -3.197 1.00 74.15 C ATOM 1440 CH2 TRP A2101 -5.121 5.637 -2.115 1.00 54.41 C ATOM 0 H TRP A2101 1.465 8.958 -3.386 1.00 62.23 H new ATOM 0 HA TRP A2101 -0.222 6.727 -3.036 1.00 72.14 H new ATOM 0 HB2 TRP A2101 -0.426 9.477 -3.766 1.00 63.23 H new ATOM 0 HB3 TRP A2101 -1.366 8.514 -4.889 1.00 63.23 H new ATOM 0 HD1 TRP A2101 -1.755 10.117 -1.616 1.00 60.21 H new ATOM 0 HE1 TRP A2101 -3.800 9.235 -0.287 1.00 52.43 H new ATOM 0 HE3 TRP A2101 -2.583 5.980 -4.426 1.00 40.33 H new ATOM 0 HZ2 TRP A2101 -5.539 6.999 -0.474 1.00 51.10 H new ATOM 0 HZ3 TRP A2101 -4.474 4.502 -3.785 1.00 74.15 H new ATOM 0 HH2 TRP A2101 -5.929 4.958 -1.886 1.00 54.41 H new ATOM 1451 N ASP A2102 1.176 7.072 -5.962 1.00 62.23 N ATOM 1452 CA ASP A2102 1.411 6.422 -7.240 1.00 64.43 C ATOM 1453 C ASP A2102 2.101 5.078 -7.004 1.00 53.32 C ATOM 1454 O ASP A2102 1.662 4.051 -7.518 1.00 70.32 O ATOM 1455 CB ASP A2102 2.319 7.272 -8.131 1.00 3.32 C ATOM 1456 CG ASP A2102 1.881 7.371 -9.593 1.00 51.33 C ATOM 1457 OD1 ASP A2102 2.425 6.686 -10.471 1.00 2.52 O ATOM 1458 OD2 ASP A2102 0.923 8.206 -9.820 1.00 30.24 O ATOM 0 H ASP A2102 1.765 7.885 -5.782 1.00 62.23 H new ATOM 0 HA ASP A2102 0.448 6.287 -7.732 1.00 64.43 H new ATOM 0 HB2 ASP A2102 2.373 8.278 -7.715 1.00 3.32 H new ATOM 0 HB3 ASP A2102 3.327 6.858 -8.097 1.00 3.32 H new ATOM 1464 N LEU A2103 3.173 5.128 -6.226 1.00 54.33 N ATOM 1465 CA LEU A2103 3.930 3.928 -5.916 1.00 10.10 C ATOM 1466 C LEU A2103 2.993 2.884 -5.303 1.00 55.52 C ATOM 1467 O LEU A2103 2.968 1.734 -5.740 1.00 14.13 O ATOM 1468 CB LEU A2103 5.133 4.265 -5.034 1.00 41.31 C ATOM 1469 CG LEU A2103 6.150 5.242 -5.633 1.00 21.44 C ATOM 1470 CD1 LEU A2103 6.969 5.920 -4.535 1.00 11.21 C ATOM 1471 CD2 LEU A2103 7.039 4.544 -6.664 1.00 51.42 C ATOM 0 H LEU A2103 3.535 5.982 -5.801 1.00 54.33 H new ATOM 0 HA LEU A2103 4.343 3.493 -6.826 1.00 10.10 H new ATOM 0 HB2 LEU A2103 4.766 4.683 -4.097 1.00 41.31 H new ATOM 0 HB3 LEU A2103 5.650 3.337 -4.789 1.00 41.31 H new ATOM 0 HG LEU A2103 5.604 6.026 -6.158 1.00 21.44 H new ATOM 0 HD11 LEU A2103 7.683 6.608 -4.986 1.00 11.21 H new ATOM 0 HD12 LEU A2103 6.303 6.472 -3.872 1.00 11.21 H new ATOM 0 HD13 LEU A2103 7.506 5.164 -3.962 1.00 11.21 H new ATOM 0 HD21 LEU A2103 7.752 5.260 -7.074 1.00 51.42 H new ATOM 0 HD22 LEU A2103 7.579 3.727 -6.185 1.00 51.42 H new ATOM 0 HD23 LEU A2103 6.420 4.147 -7.469 1.00 51.42 H new ATOM 1483 N TYR A2104 2.245 3.323 -4.301 1.00 20.20 N ATOM 1484 CA TYR A2104 1.310 2.441 -3.624 1.00 42.11 C ATOM 1485 C TYR A2104 0.355 1.784 -4.622 1.00 42.11 C ATOM 1486 O TYR A2104 0.252 0.558 -4.674 1.00 42.54 O ATOM 1487 CB TYR A2104 0.504 3.332 -2.675 1.00 32.43 C ATOM 1488 CG TYR A2104 1.260 3.740 -1.411 1.00 52.24 C ATOM 1489 CD1 TYR A2104 2.074 2.829 -0.768 1.00 53.25 C ATOM 1490 CD2 TYR A2104 1.129 5.021 -0.913 1.00 55.30 C ATOM 1491 CE1 TYR A2104 2.787 3.214 0.422 1.00 53.43 C ATOM 1492 CE2 TYR A2104 1.843 5.406 0.278 1.00 51.32 C ATOM 1493 CZ TYR A2104 2.637 4.484 0.885 1.00 34.52 C ATOM 1494 OH TYR A2104 3.310 4.847 2.012 1.00 41.45 O ATOM 0 H TYR A2104 2.268 4.277 -3.942 1.00 20.20 H new ATOM 0 HA TYR A2104 1.841 1.645 -3.102 1.00 42.11 H new ATOM 0 HB2 TYR A2104 0.199 4.232 -3.210 1.00 32.43 H new ATOM 0 HB3 TYR A2104 -0.407 2.808 -2.387 1.00 32.43 H new ATOM 0 HD1 TYR A2104 2.176 1.827 -1.158 1.00 53.25 H new ATOM 0 HD2 TYR A2104 0.492 5.734 -1.416 1.00 55.30 H new ATOM 0 HE1 TYR A2104 3.426 2.511 0.935 1.00 53.43 H new ATOM 0 HE2 TYR A2104 1.750 6.404 0.679 1.00 51.32 H new ATOM 0 HH TYR A2104 4.144 4.336 2.074 1.00 41.45 H new ATOM 1504 N TYR A2105 -0.318 2.626 -5.392 1.00 72.31 N ATOM 1505 CA TYR A2105 -1.261 2.142 -6.386 1.00 30.12 C ATOM 1506 C TYR A2105 -0.635 1.042 -7.244 1.00 4.35 C ATOM 1507 O TYR A2105 -1.295 0.058 -7.577 1.00 62.25 O ATOM 1508 CB TYR A2105 -1.590 3.342 -7.276 1.00 33.30 C ATOM 1509 CG TYR A2105 -3.010 3.326 -7.844 1.00 64.52 C ATOM 1510 CD1 TYR A2105 -3.611 2.125 -8.159 1.00 24.20 C ATOM 1511 CD2 TYR A2105 -3.689 4.511 -8.040 1.00 11.42 C ATOM 1512 CE1 TYR A2105 -4.949 2.109 -8.695 1.00 31.23 C ATOM 1513 CE2 TYR A2105 -5.026 4.495 -8.574 1.00 44.55 C ATOM 1514 CZ TYR A2105 -5.590 3.296 -8.877 1.00 32.15 C ATOM 1515 OH TYR A2105 -6.853 3.281 -9.383 1.00 35.04 O ATOM 0 H TYR A2105 -0.229 3.641 -5.348 1.00 72.31 H new ATOM 0 HA TYR A2105 -2.145 1.724 -5.905 1.00 30.12 H new ATOM 0 HB2 TYR A2105 -1.451 4.257 -6.700 1.00 33.30 H new ATOM 0 HB3 TYR A2105 -0.880 3.374 -8.102 1.00 33.30 H new ATOM 0 HD1 TYR A2105 -3.080 1.198 -8.004 1.00 24.20 H new ATOM 0 HD2 TYR A2105 -3.218 5.451 -7.793 1.00 11.42 H new ATOM 0 HE1 TYR A2105 -5.432 1.176 -8.947 1.00 31.23 H new ATOM 0 HE2 TYR A2105 -5.569 5.415 -8.730 1.00 44.55 H new ATOM 0 HH TYR A2105 -7.186 4.200 -9.458 1.00 35.04 H new ATOM 1525 N HIS A2106 0.632 1.244 -7.579 1.00 51.34 N ATOM 1526 CA HIS A2106 1.353 0.283 -8.392 1.00 43.10 C ATOM 1527 C HIS A2106 1.357 -1.080 -7.695 1.00 70.01 C ATOM 1528 O HIS A2106 1.067 -2.099 -8.318 1.00 31.51 O ATOM 1529 CB HIS A2106 2.761 0.790 -8.711 1.00 14.15 C ATOM 1530 CG HIS A2106 2.966 1.168 -10.159 1.00 31.43 C ATOM 1531 ND1 HIS A2106 2.532 0.376 -11.208 1.00 23.50 N ATOM 1532 CD2 HIS A2106 3.561 2.258 -10.719 1.00 14.22 C ATOM 1533 CE1 HIS A2106 2.857 0.974 -12.345 1.00 72.21 C ATOM 1534 NE2 HIS A2106 3.496 2.140 -12.040 1.00 63.52 N ATOM 0 H HIS A2106 1.176 2.061 -7.301 1.00 51.34 H new ATOM 0 HA HIS A2106 0.848 0.160 -9.350 1.00 43.10 H new ATOM 0 HB2 HIS A2106 2.974 1.658 -8.086 1.00 14.15 H new ATOM 0 HB3 HIS A2106 3.483 0.019 -8.442 1.00 14.15 H new ATOM 0 HD2 HIS A2106 4.010 3.079 -10.180 1.00 14.22 H new ATOM 0 HE1 HIS A2106 2.652 0.603 -13.338 1.00 72.21 H new ATOM 0 HE2 HIS A2106 3.863 2.811 -12.715 1.00 63.52 H new ATOM 1543 N VAL A2107 1.689 -1.051 -6.413 1.00 13.52 N ATOM 1544 CA VAL A2107 1.735 -2.271 -5.625 1.00 21.31 C ATOM 1545 C VAL A2107 0.309 -2.772 -5.385 1.00 12.41 C ATOM 1546 O VAL A2107 0.017 -3.949 -5.589 1.00 41.33 O ATOM 1547 CB VAL A2107 2.509 -2.028 -4.329 1.00 54.14 C ATOM 1548 CG1 VAL A2107 3.458 -0.835 -4.471 1.00 63.12 C ATOM 1549 CG2 VAL A2107 1.555 -1.829 -3.148 1.00 63.43 C ATOM 0 H VAL A2107 1.929 -0.202 -5.900 1.00 13.52 H new ATOM 0 HA VAL A2107 2.268 -3.054 -6.164 1.00 21.31 H new ATOM 0 HB VAL A2107 3.111 -2.914 -4.129 1.00 54.14 H new ATOM 0 HG11 VAL A2107 3.996 -0.684 -3.535 1.00 63.12 H new ATOM 0 HG12 VAL A2107 4.171 -1.031 -5.272 1.00 63.12 H new ATOM 0 HG13 VAL A2107 2.884 0.061 -4.707 1.00 63.12 H new ATOM 0 HG21 VAL A2107 2.132 -1.658 -2.239 1.00 63.43 H new ATOM 0 HG22 VAL A2107 0.915 -0.968 -3.339 1.00 63.43 H new ATOM 0 HG23 VAL A2107 0.938 -2.719 -3.024 1.00 63.43 H new ATOM 1559 N PHE A2108 -0.542 -1.851 -4.955 1.00 73.15 N ATOM 1560 CA PHE A2108 -1.931 -2.184 -4.685 1.00 41.43 C ATOM 1561 C PHE A2108 -2.621 -2.717 -5.942 1.00 61.15 C ATOM 1562 O PHE A2108 -3.527 -3.545 -5.854 1.00 54.44 O ATOM 1563 CB PHE A2108 -2.623 -0.892 -4.247 1.00 32.52 C ATOM 1564 CG PHE A2108 -2.586 -0.649 -2.737 1.00 71.13 C ATOM 1565 CD1 PHE A2108 -1.543 0.025 -2.182 1.00 51.41 C ATOM 1566 CD2 PHE A2108 -3.597 -1.104 -1.948 1.00 40.23 C ATOM 1567 CE1 PHE A2108 -1.508 0.252 -0.780 1.00 4.25 C ATOM 1568 CE2 PHE A2108 -3.562 -0.877 -0.547 1.00 4.33 C ATOM 1569 CZ PHE A2108 -2.519 -0.205 0.007 1.00 61.32 C ATOM 0 H PHE A2108 -0.297 -0.875 -4.787 1.00 73.15 H new ATOM 0 HA PHE A2108 -1.986 -2.956 -3.917 1.00 41.43 H new ATOM 0 HB2 PHE A2108 -2.151 -0.049 -4.752 1.00 32.52 H new ATOM 0 HB3 PHE A2108 -3.662 -0.919 -4.575 1.00 32.52 H new ATOM 0 HD1 PHE A2108 -0.741 0.388 -2.808 1.00 51.41 H new ATOM 0 HD2 PHE A2108 -4.426 -1.638 -2.388 1.00 40.23 H new ATOM 0 HE1 PHE A2108 -0.680 0.787 -0.340 1.00 4.25 H new ATOM 0 HE2 PHE A2108 -4.365 -1.239 0.079 1.00 4.33 H new ATOM 0 HZ PHE A2108 -2.493 -0.034 1.073 1.00 61.32 H new ATOM 1579 N ARG A2109 -2.167 -2.221 -7.084 1.00 4.42 N ATOM 1580 CA ARG A2109 -2.729 -2.637 -8.358 1.00 13.23 C ATOM 1581 C ARG A2109 -2.182 -4.009 -8.756 1.00 4.10 C ATOM 1582 O ARG A2109 -2.891 -4.814 -9.356 1.00 2.02 O ATOM 1583 CB ARG A2109 -2.405 -1.626 -9.460 1.00 60.33 C ATOM 1584 CG ARG A2109 -3.173 -1.949 -10.743 1.00 44.04 C ATOM 1585 CD ARG A2109 -3.370 -0.694 -11.595 1.00 73.11 C ATOM 1586 NE ARG A2109 -2.250 -0.548 -12.550 1.00 2.45 N ATOM 1587 CZ ARG A2109 -1.802 0.636 -13.019 1.00 54.21 C ATOM 1588 NH1 ARG A2109 -2.378 1.791 -12.623 1.00 43.12 N ATOM 1589 NH2 ARG A2109 -0.793 0.647 -13.869 1.00 61.41 N ATOM 0 H ARG A2109 -1.416 -1.534 -7.153 1.00 4.42 H new ATOM 0 HA ARG A2109 -3.811 -2.694 -8.241 1.00 13.23 H new ATOM 0 HB2 ARG A2109 -2.659 -0.621 -9.123 1.00 60.33 H new ATOM 0 HB3 ARG A2109 -1.334 -1.633 -9.662 1.00 60.33 H new ATOM 0 HG2 ARG A2109 -2.630 -2.701 -11.316 1.00 44.04 H new ATOM 0 HG3 ARG A2109 -4.143 -2.378 -10.492 1.00 44.04 H new ATOM 0 HD2 ARG A2109 -4.314 -0.757 -12.136 1.00 73.11 H new ATOM 0 HD3 ARG A2109 -3.428 0.185 -10.953 1.00 73.11 H new ATOM 0 HE ARG A2109 -1.786 -1.396 -12.875 1.00 2.45 H new ATOM 0 HH11 ARG A2109 -3.157 1.773 -11.965 1.00 43.12 H new ATOM 0 HH12 ARG A2109 -2.034 2.682 -12.982 1.00 43.12 H new ATOM 0 HH21 ARG A2109 -0.364 -0.231 -14.162 1.00 61.41 H new ATOM 0 HH22 ARG A2109 -0.442 1.533 -14.233 1.00 61.41 H new ATOM 1601 N ARG A2110 -0.922 -4.234 -8.407 1.00 73.22 N ATOM 1602 CA ARG A2110 -0.273 -5.493 -8.722 1.00 53.02 C ATOM 1603 C ARG A2110 -0.973 -6.647 -8.001 1.00 20.41 C ATOM 1604 O ARG A2110 -1.352 -7.636 -8.627 1.00 11.54 O ATOM 1605 CB ARG A2110 1.202 -5.469 -8.315 1.00 4.12 C ATOM 1606 CG ARG A2110 2.095 -5.940 -9.462 1.00 12.52 C ATOM 1607 CD ARG A2110 1.467 -7.129 -10.193 1.00 4.02 C ATOM 1608 NE ARG A2110 2.482 -8.183 -10.415 1.00 73.41 N ATOM 1609 CZ ARG A2110 3.474 -8.099 -11.325 1.00 2.11 C ATOM 1610 NH1 ARG A2110 3.593 -7.008 -12.111 1.00 4.33 N ATOM 1611 NH2 ARG A2110 4.326 -9.101 -11.437 1.00 52.11 N ATOM 0 H ARG A2110 -0.335 -3.564 -7.909 1.00 73.22 H new ATOM 0 HA ARG A2110 -0.340 -5.639 -9.800 1.00 53.02 H new ATOM 0 HB2 ARG A2110 1.485 -4.458 -8.021 1.00 4.12 H new ATOM 0 HB3 ARG A2110 1.353 -6.109 -7.445 1.00 4.12 H new ATOM 0 HG2 ARG A2110 2.255 -5.121 -10.163 1.00 12.52 H new ATOM 0 HG3 ARG A2110 3.073 -6.223 -9.073 1.00 12.52 H new ATOM 0 HD2 ARG A2110 0.638 -7.529 -9.609 1.00 4.02 H new ATOM 0 HD3 ARG A2110 1.055 -6.803 -11.148 1.00 4.02 H new ATOM 0 HE ARG A2110 2.428 -9.026 -9.844 1.00 73.41 H new ATOM 0 HH11 ARG A2110 2.930 -6.239 -12.019 1.00 4.33 H new ATOM 0 HH12 ARG A2110 4.346 -6.953 -12.796 1.00 4.33 H new ATOM 0 HH21 ARG A2110 4.228 -9.923 -10.840 1.00 52.11 H new ATOM 0 HH22 ARG A2110 5.082 -9.054 -12.120 1.00 52.11 H new ATOM 1623 N ILE A2111 -1.128 -6.482 -6.696 1.00 51.42 N ATOM 1624 CA ILE A2111 -1.776 -7.497 -5.883 1.00 51.45 C ATOM 1625 C ILE A2111 -3.034 -7.989 -6.599 1.00 24.31 C ATOM 1626 O ILE A2111 -3.384 -9.165 -6.510 1.00 5.41 O ATOM 1627 CB ILE A2111 -2.040 -6.966 -4.472 1.00 1.23 C ATOM 1628 CG1 ILE A2111 -2.678 -5.576 -4.521 1.00 33.15 C ATOM 1629 CG2 ILE A2111 -0.760 -6.982 -3.633 1.00 22.23 C ATOM 1630 CD1 ILE A2111 -3.016 -5.080 -3.111 1.00 22.24 C ATOM 0 H ILE A2111 -0.815 -5.659 -6.181 1.00 51.42 H new ATOM 0 HA ILE A2111 -1.121 -8.359 -5.757 1.00 51.45 H new ATOM 0 HB ILE A2111 -2.753 -7.630 -3.983 1.00 1.23 H new ATOM 0 HG12 ILE A2111 -1.997 -4.875 -5.004 1.00 33.15 H new ATOM 0 HG13 ILE A2111 -3.584 -5.608 -5.126 1.00 33.15 H new ATOM 0 HG21 ILE A2111 -0.974 -6.600 -2.635 1.00 22.23 H new ATOM 0 HG22 ILE A2111 -0.387 -8.003 -3.558 1.00 22.23 H new ATOM 0 HG23 ILE A2111 -0.006 -6.354 -4.108 1.00 22.23 H new ATOM 0 HD11 ILE A2111 -3.468 -4.090 -3.172 1.00 22.24 H new ATOM 0 HD12 ILE A2111 -3.716 -5.770 -2.641 1.00 22.24 H new ATOM 0 HD13 ILE A2111 -2.104 -5.026 -2.516 1.00 22.24 H new ATOM 1642 N SER A2112 -3.680 -7.065 -7.296 1.00 22.32 N ATOM 1643 CA SER A2112 -4.893 -7.390 -8.027 1.00 12.03 C ATOM 1644 C SER A2112 -4.538 -8.070 -9.351 1.00 1.54 C ATOM 1645 O SER A2112 -5.036 -9.154 -9.650 1.00 14.24 O ATOM 1646 CB SER A2112 -5.735 -6.139 -8.283 1.00 52.11 C ATOM 1647 OG SER A2112 -6.930 -6.131 -7.504 1.00 5.15 O ATOM 0 H SER A2112 -3.386 -6.091 -7.370 1.00 22.32 H new ATOM 0 HA SER A2112 -5.485 -8.075 -7.420 1.00 12.03 H new ATOM 0 HB2 SER A2112 -5.146 -5.252 -8.052 1.00 52.11 H new ATOM 0 HB3 SER A2112 -5.991 -6.085 -9.341 1.00 52.11 H new ATOM 0 HG SER A2112 -7.439 -5.316 -7.694 1.00 5.15 H new ATOM 1653 N LYS A2113 -3.681 -7.403 -10.111 1.00 10.44 N ATOM 1654 CA LYS A2113 -3.254 -7.931 -11.396 1.00 63.41 C ATOM 1655 C LYS A2113 -3.031 -9.440 -11.276 1.00 21.51 C ATOM 1656 O LYS A2113 -2.103 -9.882 -10.602 1.00 54.00 O ATOM 1657 CB LYS A2113 -2.030 -7.168 -11.907 1.00 61.02 C ATOM 1658 CG LYS A2113 -2.367 -6.371 -13.170 1.00 63.44 C ATOM 1659 CD LYS A2113 -2.942 -4.999 -12.816 1.00 13.12 C ATOM 1660 CE LYS A2113 -3.248 -4.190 -14.076 1.00 43.54 C ATOM 1661 NZ LYS A2113 -4.276 -3.162 -13.798 1.00 71.13 N ATOM 0 H LYS A2113 -3.271 -6.503 -9.862 1.00 10.44 H new ATOM 0 HA LYS A2113 -4.031 -7.783 -12.146 1.00 63.41 H new ATOM 0 HB2 LYS A2113 -1.669 -6.492 -11.132 1.00 61.02 H new ATOM 0 HB3 LYS A2113 -1.223 -7.869 -12.120 1.00 61.02 H new ATOM 0 HG2 LYS A2113 -1.470 -6.248 -13.776 1.00 63.44 H new ATOM 0 HG3 LYS A2113 -3.086 -6.926 -13.773 1.00 63.44 H new ATOM 0 HD2 LYS A2113 -3.852 -5.123 -12.229 1.00 13.12 H new ATOM 0 HD3 LYS A2113 -2.233 -4.454 -12.193 1.00 13.12 H new ATOM 0 HE2 LYS A2113 -2.337 -3.713 -14.438 1.00 43.54 H new ATOM 0 HE3 LYS A2113 -3.596 -4.855 -14.866 1.00 43.54 H new ATOM 0 HZ1 LYS A2113 -5.051 -3.252 -14.485 1.00 71.13 H new ATOM 0 HZ2 LYS A2113 -4.649 -3.295 -12.836 1.00 71.13 H new ATOM 0 HZ3 LYS A2113 -3.851 -2.216 -13.877 1.00 71.13 H new ATOM 1674 N GLN A2114 -3.900 -10.188 -11.939 1.00 22.10 N ATOM 1675 CA GLN A2114 -3.810 -11.638 -11.917 1.00 13.03 C ATOM 1676 C GLN A2114 -3.937 -12.153 -10.482 1.00 34.41 C ATOM 1677 O GLN A2114 -4.981 -12.680 -10.098 1.00 14.13 O ATOM 1678 CB GLN A2114 -2.506 -12.117 -12.558 1.00 71.52 C ATOM 1679 CG GLN A2114 -2.744 -13.355 -13.424 1.00 45.02 C ATOM 1680 CD GLN A2114 -1.516 -14.267 -13.427 1.00 74.20 C ATOM 1681 OE1 GLN A2114 -0.382 -13.822 -13.482 1.00 52.23 O ATOM 1682 NE2 GLN A2114 -1.804 -15.564 -13.365 1.00 42.33 N ATOM 0 H GLN A2114 -4.670 -9.817 -12.495 1.00 22.10 H new ATOM 0 HA GLN A2114 -4.634 -12.044 -12.504 1.00 13.03 H new ATOM 0 HB2 GLN A2114 -2.081 -11.319 -13.167 1.00 71.52 H new ATOM 0 HB3 GLN A2114 -1.777 -12.347 -11.781 1.00 71.52 H new ATOM 0 HG2 GLN A2114 -3.608 -13.904 -13.050 1.00 45.02 H new ATOM 0 HG3 GLN A2114 -2.977 -13.050 -14.444 1.00 45.02 H new ATOM 0 HE21 GLN A2114 -2.776 -15.869 -13.321 1.00 42.33 H new ATOM 0 HE22 GLN A2114 -1.053 -16.254 -13.361 1.00 42.33 H new TER 1691 GLN A2114