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 145:sc= -9.83! (180deg=-9.33!) USER MOD Set 1.2: A2057 MET CE :methyl 177:sc= -3.8! (180deg=-0.225) USER MOD Set 1.3: A2058 MET CE :methyl 154:sc= -20.6! (180deg=-16.1!) USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.77) USER MOD Single : A2028 HIS :FLIP no HD1:sc= -0.2 F(o=-0.97,f=-0.2) USER MOD Single : A2035 SER OG : rot -88:sc= 0.712 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -4.01! C(o=-4!,f=-5.6!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -121:sc= -5.58! (180deg=-9.97!) USER MOD Single : A2055 HIS :FLIP no HD1:sc= -2.04! C(o=-3.2!,f=-2!) USER MOD Single : A2063 GLN :FLIP amide:sc= -1.07! C(o=-2.2!,f=-1.1!) USER MOD Single : A2064 THR OG1 : rot 71:sc= -0.229 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 69:sc= 0.676 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= 0.0802 K(o=0.08,f=-0.67) USER MOD Single : A2072 GLN : amide:sc= -0.354 K(o=-0.35,f=-2.2!) USER MOD Single : A2074 TYR OH : rot 165:sc= -0.147 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.5!) USER MOD Single : A2085 CYS SG : rot 91:sc= -0.0772! USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -125:sc= -10.4! (180deg=-10.8!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 41:sc= 0.302 USER MOD Single : A2093 ASN : amide:sc= -0.335 K(o=-0.33,f=-1.4!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A2112 SER OG : rot 180:sc= 0 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -5.295 -20.059 2.459 1.00 34.32 N ATOM 2 CA MET A2014 -5.763 -19.954 1.088 1.00 32.15 C ATOM 3 C MET A2014 -7.092 -20.691 0.906 1.00 25.32 C ATOM 4 O MET A2014 -7.229 -21.844 1.312 1.00 75.10 O ATOM 5 CB MET A2014 -4.718 -20.548 0.143 1.00 40.12 C ATOM 6 CG MET A2014 -4.066 -19.457 -0.708 1.00 71.12 C ATOM 7 SD MET A2014 -2.289 -19.580 -0.605 1.00 4.11 S ATOM 8 CE MET A2014 -1.873 -17.864 -0.338 1.00 22.24 C ATOM 0 HA MET A2014 -5.917 -18.900 0.857 1.00 32.15 H new ATOM 0 HB2 MET A2014 -3.954 -21.069 0.721 1.00 40.12 H new ATOM 0 HB3 MET A2014 -5.187 -21.288 -0.505 1.00 40.12 H new ATOM 0 HG2 MET A2014 -4.386 -19.554 -1.746 1.00 71.12 H new ATOM 0 HG3 MET A2014 -4.391 -18.475 -0.365 1.00 71.12 H new ATOM 0 HE1 MET A2014 -0.791 -17.761 -0.251 1.00 22.24 H new ATOM 0 HE2 MET A2014 -2.227 -17.269 -1.179 1.00 22.24 H new ATOM 0 HE3 MET A2014 -2.346 -17.513 0.579 1.00 22.24 H new ATOM 18 N GLU A2015 -8.038 -19.996 0.292 1.00 30.21 N ATOM 19 CA GLU A2015 -9.352 -20.569 0.050 1.00 34.23 C ATOM 20 C GLU A2015 -9.490 -20.979 -1.418 1.00 21.23 C ATOM 21 O GLU A2015 -10.271 -21.870 -1.746 1.00 14.42 O ATOM 22 CB GLU A2015 -10.460 -19.594 0.454 1.00 54.31 C ATOM 23 CG GLU A2015 -11.106 -20.013 1.776 1.00 5.35 C ATOM 24 CD GLU A2015 -10.222 -19.633 2.964 1.00 23.14 C ATOM 25 OE1 GLU A2015 -9.443 -18.673 2.875 1.00 44.05 O ATOM 26 OE2 GLU A2015 -10.365 -20.374 4.009 1.00 52.41 O ATOM 0 H GLU A2015 -7.921 -19.041 -0.046 1.00 30.21 H new ATOM 0 HA GLU A2015 -9.457 -21.461 0.668 1.00 34.23 H new ATOM 0 HB2 GLU A2015 -10.048 -18.589 0.549 1.00 54.31 H new ATOM 0 HB3 GLU A2015 -11.218 -19.555 -0.329 1.00 54.31 H new ATOM 0 HG2 GLU A2015 -12.080 -19.535 1.876 1.00 5.35 H new ATOM 0 HG3 GLU A2015 -11.278 -21.089 1.776 1.00 5.35 H new ATOM 34 N LEU A2016 -8.719 -20.308 -2.262 1.00 22.24 N ATOM 35 CA LEU A2016 -8.746 -20.591 -3.686 1.00 22.32 C ATOM 36 C LEU A2016 -7.757 -19.669 -4.404 1.00 13.34 C ATOM 37 O LEU A2016 -6.861 -19.107 -3.776 1.00 64.41 O ATOM 38 CB LEU A2016 -10.175 -20.498 -4.224 1.00 45.40 C ATOM 39 CG LEU A2016 -10.768 -21.795 -4.779 1.00 53.43 C ATOM 40 CD1 LEU A2016 -12.137 -22.083 -4.157 1.00 50.13 C ATOM 41 CD2 LEU A2016 -10.829 -21.759 -6.307 1.00 3.21 C ATOM 0 H LEU A2016 -8.072 -19.569 -1.986 1.00 22.24 H new ATOM 0 HA LEU A2016 -8.424 -21.615 -3.877 1.00 22.32 H new ATOM 0 HB2 LEU A2016 -10.821 -20.140 -3.423 1.00 45.40 H new ATOM 0 HB3 LEU A2016 -10.197 -19.745 -5.012 1.00 45.40 H new ATOM 0 HG LEU A2016 -10.109 -22.618 -4.502 1.00 53.43 H new ATOM 0 HD11 LEU A2016 -12.536 -23.010 -4.569 1.00 50.13 H new ATOM 0 HD12 LEU A2016 -12.032 -22.181 -3.076 1.00 50.13 H new ATOM 0 HD13 LEU A2016 -12.819 -21.263 -4.382 1.00 50.13 H new ATOM 0 HD21 LEU A2016 -11.254 -22.692 -6.676 1.00 3.21 H new ATOM 0 HD22 LEU A2016 -11.453 -20.924 -6.627 1.00 3.21 H new ATOM 0 HD23 LEU A2016 -9.823 -21.635 -6.708 1.00 3.21 H new ATOM 53 N ILE A2017 -7.955 -19.542 -5.708 1.00 33.52 N ATOM 54 CA ILE A2017 -7.093 -18.698 -6.516 1.00 25.14 C ATOM 55 C ILE A2017 -6.903 -17.352 -5.817 1.00 73.03 C ATOM 56 O ILE A2017 -5.939 -17.162 -5.076 1.00 24.23 O ATOM 57 CB ILE A2017 -7.641 -18.581 -7.940 1.00 41.00 C ATOM 58 CG1 ILE A2017 -7.322 -19.835 -8.757 1.00 42.41 C ATOM 59 CG2 ILE A2017 -7.132 -17.308 -8.620 1.00 3.52 C ATOM 60 CD1 ILE A2017 -8.602 -20.526 -9.227 1.00 53.15 C ATOM 0 H ILE A2017 -8.700 -20.010 -6.224 1.00 33.52 H new ATOM 0 HA ILE A2017 -6.105 -19.147 -6.615 1.00 25.14 H new ATOM 0 HB ILE A2017 -8.727 -18.504 -7.882 1.00 41.00 H new ATOM 0 HG12 ILE A2017 -6.713 -19.565 -9.620 1.00 42.41 H new ATOM 0 HG13 ILE A2017 -6.733 -20.526 -8.154 1.00 42.41 H new ATOM 0 HG21 ILE A2017 -7.536 -17.249 -9.631 1.00 3.52 H new ATOM 0 HG22 ILE A2017 -7.454 -16.437 -8.049 1.00 3.52 H new ATOM 0 HG23 ILE A2017 -6.043 -17.330 -8.665 1.00 3.52 H new ATOM 0 HD11 ILE A2017 -8.345 -21.414 -9.805 1.00 53.15 H new ATOM 0 HD12 ILE A2017 -9.198 -20.816 -8.362 1.00 53.15 H new ATOM 0 HD13 ILE A2017 -9.177 -19.841 -9.850 1.00 53.15 H new ATOM 72 N ARG A2018 -7.837 -16.450 -6.077 1.00 52.34 N ATOM 73 CA ARG A2018 -7.786 -15.124 -5.482 1.00 21.14 C ATOM 74 C ARG A2018 -8.738 -15.043 -4.287 1.00 13.41 C ATOM 75 O ARG A2018 -9.794 -14.417 -4.373 1.00 63.22 O ATOM 76 CB ARG A2018 -8.161 -14.048 -6.500 1.00 53.23 C ATOM 77 CG ARG A2018 -7.377 -12.758 -6.253 1.00 15.21 C ATOM 78 CD ARG A2018 -7.987 -11.956 -5.102 1.00 21.15 C ATOM 79 NE ARG A2018 -8.915 -10.934 -5.636 1.00 54.45 N ATOM 80 CZ ARG A2018 -9.788 -10.235 -4.879 1.00 3.33 C ATOM 81 NH1 ARG A2018 -9.859 -10.443 -3.546 1.00 62.33 N ATOM 82 NH2 ARG A2018 -10.569 -9.345 -5.460 1.00 63.32 N ATOM 0 H ARG A2018 -8.635 -16.611 -6.692 1.00 52.34 H new ATOM 0 HA ARG A2018 -6.763 -14.949 -5.149 1.00 21.14 H new ATOM 0 HB2 ARG A2018 -7.961 -14.411 -7.508 1.00 53.23 H new ATOM 0 HB3 ARG A2018 -9.230 -13.844 -6.441 1.00 53.23 H new ATOM 0 HG2 ARG A2018 -6.339 -12.998 -6.023 1.00 15.21 H new ATOM 0 HG3 ARG A2018 -7.371 -12.153 -7.159 1.00 15.21 H new ATOM 0 HD2 ARG A2018 -8.519 -12.624 -4.424 1.00 21.15 H new ATOM 0 HD3 ARG A2018 -7.198 -11.476 -4.523 1.00 21.15 H new ATOM 0 HE ARG A2018 -8.894 -10.746 -6.638 1.00 54.45 H new ATOM 0 HH11 ARG A2018 -9.250 -11.132 -3.104 1.00 62.33 H new ATOM 0 HH12 ARG A2018 -10.521 -9.911 -2.981 1.00 62.33 H new ATOM 0 HH21 ARG A2018 -10.508 -9.193 -6.467 1.00 63.32 H new ATOM 0 HH22 ARG A2018 -11.234 -8.809 -4.903 1.00 63.32 H new ATOM 94 N VAL A2019 -8.330 -15.680 -3.201 1.00 51.12 N ATOM 95 CA VAL A2019 -9.134 -15.688 -1.991 1.00 11.22 C ATOM 96 C VAL A2019 -9.484 -14.248 -1.608 1.00 41.21 C ATOM 97 O VAL A2019 -8.629 -13.365 -1.646 1.00 44.42 O ATOM 98 CB VAL A2019 -8.399 -16.438 -0.878 1.00 65.31 C ATOM 99 CG1 VAL A2019 -6.901 -16.126 -0.902 1.00 63.50 C ATOM 100 CG2 VAL A2019 -9.004 -16.120 0.491 1.00 12.02 C ATOM 0 H VAL A2019 -7.452 -16.195 -3.133 1.00 51.12 H new ATOM 0 HA VAL A2019 -10.071 -16.219 -2.159 1.00 11.22 H new ATOM 0 HB VAL A2019 -8.521 -17.506 -1.058 1.00 65.31 H new ATOM 0 HG11 VAL A2019 -6.403 -16.672 -0.101 1.00 63.50 H new ATOM 0 HG12 VAL A2019 -6.482 -16.428 -1.862 1.00 63.50 H new ATOM 0 HG13 VAL A2019 -6.750 -15.056 -0.760 1.00 63.50 H new ATOM 0 HG21 VAL A2019 -8.463 -16.666 1.264 1.00 12.02 H new ATOM 0 HG22 VAL A2019 -8.928 -15.050 0.683 1.00 12.02 H new ATOM 0 HG23 VAL A2019 -10.053 -16.417 0.503 1.00 12.02 H new ATOM 110 N PRO A2020 -10.779 -14.050 -1.240 1.00 33.31 N ATOM 111 CA PRO A2020 -11.253 -12.732 -0.852 1.00 3.25 C ATOM 112 C PRO A2020 -10.761 -12.363 0.550 1.00 24.35 C ATOM 113 O PRO A2020 -10.556 -11.188 0.850 1.00 21.53 O ATOM 114 CB PRO A2020 -12.769 -12.816 -0.945 1.00 4.50 C ATOM 115 CG PRO A2020 -13.106 -14.299 -0.932 1.00 22.22 C ATOM 116 CD PRO A2020 -11.820 -15.070 -1.184 1.00 31.43 C ATOM 0 HA PRO A2020 -10.870 -11.941 -1.497 1.00 3.25 H new ATOM 0 HB2 PRO A2020 -13.241 -12.301 -0.108 1.00 4.50 H new ATOM 0 HB3 PRO A2020 -13.131 -12.341 -1.857 1.00 4.50 H new ATOM 0 HG2 PRO A2020 -13.540 -14.584 0.026 1.00 22.22 H new ATOM 0 HG3 PRO A2020 -13.846 -14.529 -1.698 1.00 22.22 H new ATOM 0 HD2 PRO A2020 -11.627 -15.789 -0.388 1.00 31.43 H new ATOM 0 HD3 PRO A2020 -11.873 -15.633 -2.116 1.00 31.43 H new ATOM 124 N ILE A2021 -10.586 -13.389 1.370 1.00 11.54 N ATOM 125 CA ILE A2021 -10.122 -13.188 2.731 1.00 53.01 C ATOM 126 C ILE A2021 -8.626 -13.495 2.806 1.00 13.22 C ATOM 127 O ILE A2021 -8.233 -14.643 3.005 1.00 23.51 O ATOM 128 CB ILE A2021 -10.967 -14.005 3.712 1.00 64.14 C ATOM 129 CG1 ILE A2021 -11.273 -15.393 3.147 1.00 14.03 C ATOM 130 CG2 ILE A2021 -12.241 -13.248 4.099 1.00 32.52 C ATOM 131 CD1 ILE A2021 -12.570 -15.382 2.336 1.00 44.14 C ATOM 0 H ILE A2021 -10.757 -14.362 1.117 1.00 11.54 H new ATOM 0 HA ILE A2021 -10.250 -12.147 3.026 1.00 53.01 H new ATOM 0 HB ILE A2021 -10.389 -14.150 4.625 1.00 64.14 H new ATOM 0 HG12 ILE A2021 -10.448 -15.722 2.515 1.00 14.03 H new ATOM 0 HG13 ILE A2021 -11.356 -16.111 3.963 1.00 14.03 H new ATOM 0 HG21 ILE A2021 -12.824 -13.849 4.797 1.00 32.52 H new ATOM 0 HG22 ILE A2021 -11.973 -12.303 4.571 1.00 32.52 H new ATOM 0 HG23 ILE A2021 -12.834 -13.052 3.205 1.00 32.52 H new ATOM 0 HD11 ILE A2021 -12.764 -16.381 1.946 1.00 44.14 H new ATOM 0 HD12 ILE A2021 -13.397 -15.076 2.977 1.00 44.14 H new ATOM 0 HD13 ILE A2021 -12.475 -14.681 1.507 1.00 44.14 H new ATOM 143 N LEU A2022 -7.830 -12.447 2.644 1.00 65.41 N ATOM 144 CA LEU A2022 -6.385 -12.591 2.692 1.00 45.15 C ATOM 145 C LEU A2022 -5.743 -11.208 2.817 1.00 20.32 C ATOM 146 O LEU A2022 -6.400 -10.251 3.224 1.00 34.05 O ATOM 147 CB LEU A2022 -5.886 -13.392 1.487 1.00 62.44 C ATOM 148 CG LEU A2022 -5.036 -14.622 1.805 1.00 2.34 C ATOM 149 CD1 LEU A2022 -3.719 -14.220 2.474 1.00 73.22 C ATOM 150 CD2 LEU A2022 -5.820 -15.630 2.646 1.00 20.24 C ATOM 0 H LEU A2022 -8.159 -11.496 2.480 1.00 65.41 H new ATOM 0 HA LEU A2022 -6.089 -13.162 3.572 1.00 45.15 H new ATOM 0 HB2 LEU A2022 -6.751 -13.713 0.906 1.00 62.44 H new ATOM 0 HB3 LEU A2022 -5.303 -12.727 0.850 1.00 62.44 H new ATOM 0 HG LEU A2022 -4.784 -15.114 0.865 1.00 2.34 H new ATOM 0 HD11 LEU A2022 -3.133 -15.113 2.690 1.00 73.22 H new ATOM 0 HD12 LEU A2022 -3.155 -13.569 1.806 1.00 73.22 H new ATOM 0 HD13 LEU A2022 -3.930 -13.691 3.403 1.00 73.22 H new ATOM 0 HD21 LEU A2022 -5.191 -16.495 2.857 1.00 20.24 H new ATOM 0 HD22 LEU A2022 -6.123 -15.164 3.584 1.00 20.24 H new ATOM 0 HD23 LEU A2022 -6.706 -15.951 2.097 1.00 20.24 H new ATOM 162 N TRP A2023 -4.470 -11.147 2.461 1.00 3.21 N ATOM 163 CA TRP A2023 -3.731 -9.896 2.529 1.00 2.11 C ATOM 164 C TRP A2023 -4.327 -8.940 1.495 1.00 51.23 C ATOM 165 O TRP A2023 -4.655 -7.798 1.816 1.00 13.41 O ATOM 166 CB TRP A2023 -2.233 -10.133 2.334 1.00 43.14 C ATOM 167 CG TRP A2023 -1.476 -10.441 3.627 1.00 34.43 C ATOM 168 CD1 TRP A2023 -1.983 -10.813 4.810 1.00 31.41 C ATOM 169 CD2 TRP A2023 -0.048 -10.391 3.819 1.00 54.43 C ATOM 170 NE1 TRP A2023 -0.990 -11.003 5.749 1.00 73.44 N ATOM 171 CE2 TRP A2023 0.225 -10.738 5.127 1.00 55.11 C ATOM 172 CE3 TRP A2023 0.980 -10.061 2.920 1.00 40.44 C ATOM 173 CZ2 TRP A2023 1.522 -10.791 5.652 1.00 61.14 C ATOM 174 CZ3 TRP A2023 2.271 -10.117 3.461 1.00 64.33 C ATOM 175 CH2 TRP A2023 2.562 -10.466 4.775 1.00 60.35 C ATOM 0 H TRP A2023 -3.929 -11.944 2.124 1.00 3.21 H new ATOM 0 HA TRP A2023 -3.826 -9.444 3.516 1.00 2.11 H new ATOM 0 HB2 TRP A2023 -2.095 -10.961 1.639 1.00 43.14 H new ATOM 0 HB3 TRP A2023 -1.794 -9.250 1.870 1.00 43.14 H new ATOM 0 HD1 TRP A2023 -3.037 -10.947 5.004 1.00 31.41 H new ATOM 0 HE1 TRP A2023 -1.123 -11.286 6.720 1.00 73.44 H new ATOM 0 HE3 TRP A2023 0.790 -9.786 1.893 1.00 40.44 H new ATOM 0 HZ2 TRP A2023 1.709 -11.068 6.679 1.00 61.14 H new ATOM 0 HZ3 TRP A2023 3.098 -9.872 2.812 1.00 64.33 H new ATOM 0 HH2 TRP A2023 3.586 -10.486 5.117 1.00 60.35 H new ATOM 186 N HIS A2024 -4.447 -9.439 0.274 1.00 62.44 N ATOM 187 CA HIS A2024 -4.998 -8.642 -0.810 1.00 60.13 C ATOM 188 C HIS A2024 -6.283 -7.957 -0.342 1.00 65.35 C ATOM 189 O HIS A2024 -6.690 -6.943 -0.906 1.00 2.12 O ATOM 190 CB HIS A2024 -5.203 -9.498 -2.062 1.00 2.34 C ATOM 191 CG HIS A2024 -4.178 -10.593 -2.234 1.00 51.01 C ATOM 192 ND1 HIS A2024 -4.387 -11.890 -1.798 1.00 45.43 N ATOM 193 CD2 HIS A2024 -2.936 -10.571 -2.797 1.00 31.43 C ATOM 194 CE1 HIS A2024 -3.313 -12.608 -2.091 1.00 14.42 C ATOM 195 NE2 HIS A2024 -2.414 -11.788 -2.710 1.00 20.23 N ATOM 0 H HIS A2024 -4.172 -10.385 0.011 1.00 62.44 H new ATOM 0 HA HIS A2024 -4.292 -7.859 -1.087 1.00 60.13 H new ATOM 0 HB2 HIS A2024 -6.196 -9.947 -2.024 1.00 2.34 H new ATOM 0 HB3 HIS A2024 -5.179 -8.851 -2.939 1.00 2.34 H new ATOM 0 HD2 HIS A2024 -2.458 -9.709 -3.239 1.00 31.43 H new ATOM 0 HE1 HIS A2024 -3.173 -13.657 -1.878 1.00 14.42 H new ATOM 0 HE2 HIS A2024 -1.493 -12.065 -3.050 1.00 20.23 H new ATOM 204 N GLU A2025 -6.885 -8.538 0.685 1.00 4.11 N ATOM 205 CA GLU A2025 -8.117 -7.997 1.234 1.00 74.32 C ATOM 206 C GLU A2025 -7.822 -6.743 2.059 1.00 33.04 C ATOM 207 O GLU A2025 -8.618 -5.805 2.077 1.00 3.33 O ATOM 208 CB GLU A2025 -8.851 -9.045 2.073 1.00 23.12 C ATOM 209 CG GLU A2025 -10.280 -8.597 2.383 1.00 70.23 C ATOM 210 CD GLU A2025 -10.648 -8.906 3.835 1.00 75.22 C ATOM 211 OE1 GLU A2025 -9.769 -8.908 4.711 1.00 62.14 O ATOM 212 OE2 GLU A2025 -11.899 -9.146 4.041 1.00 51.33 O ATOM 0 H GLU A2025 -6.543 -9.378 1.152 1.00 4.11 H new ATOM 0 HA GLU A2025 -8.771 -7.720 0.407 1.00 74.32 H new ATOM 0 HB2 GLU A2025 -8.872 -9.995 1.538 1.00 23.12 H new ATOM 0 HB3 GLU A2025 -8.310 -9.215 3.004 1.00 23.12 H new ATOM 0 HG2 GLU A2025 -10.378 -7.527 2.199 1.00 70.23 H new ATOM 0 HG3 GLU A2025 -10.976 -9.100 1.712 1.00 70.23 H new ATOM 220 N MET A2026 -6.676 -6.767 2.726 1.00 71.34 N ATOM 221 CA MET A2026 -6.267 -5.644 3.552 1.00 70.12 C ATOM 222 C MET A2026 -5.851 -4.452 2.687 1.00 53.50 C ATOM 223 O MET A2026 -6.018 -3.301 3.088 1.00 70.23 O ATOM 224 CB MET A2026 -5.096 -6.065 4.441 1.00 32.42 C ATOM 225 CG MET A2026 -3.765 -5.915 3.703 1.00 43.55 C ATOM 226 SD MET A2026 -3.047 -4.318 4.054 1.00 22.42 S ATOM 227 CE MET A2026 -1.315 -4.747 4.045 1.00 42.30 C ATOM 0 H MET A2026 -6.019 -7.547 2.711 1.00 71.34 H new ATOM 0 HA MET A2026 -7.113 -5.343 4.170 1.00 70.12 H new ATOM 0 HB2 MET A2026 -5.085 -5.457 5.346 1.00 32.42 H new ATOM 0 HB3 MET A2026 -5.227 -7.101 4.755 1.00 32.42 H new ATOM 0 HG2 MET A2026 -3.080 -6.706 4.008 1.00 43.55 H new ATOM 0 HG3 MET A2026 -3.921 -6.025 2.630 1.00 43.55 H new ATOM 0 HE1 MET A2026 -0.737 -3.919 3.635 1.00 42.30 H new ATOM 0 HE2 MET A2026 -0.985 -4.950 5.064 1.00 42.30 H new ATOM 0 HE3 MET A2026 -1.163 -5.635 3.431 1.00 42.30 H new ATOM 237 N TRP A2027 -5.312 -4.767 1.519 1.00 21.32 N ATOM 238 CA TRP A2027 -4.870 -3.737 0.596 1.00 45.30 C ATOM 239 C TRP A2027 -6.111 -3.110 -0.043 1.00 4.40 C ATOM 240 O TRP A2027 -6.261 -1.889 -0.049 1.00 14.44 O ATOM 241 CB TRP A2027 -3.892 -4.307 -0.434 1.00 40.03 C ATOM 242 CG TRP A2027 -2.569 -4.788 0.164 1.00 15.04 C ATOM 243 CD1 TRP A2027 -2.328 -5.930 0.825 1.00 22.10 C ATOM 244 CD2 TRP A2027 -1.305 -4.090 0.133 1.00 45.24 C ATOM 245 NE1 TRP A2027 -1.008 -6.019 1.217 1.00 13.51 N ATOM 246 CE2 TRP A2027 -0.366 -4.865 0.783 1.00 72.30 C ATOM 247 CE3 TRP A2027 -0.967 -2.846 -0.429 1.00 72.12 C ATOM 248 CZ2 TRP A2027 0.971 -4.481 0.934 1.00 72.10 C ATOM 249 CZ3 TRP A2027 0.374 -2.478 -0.269 1.00 21.23 C ATOM 250 CH2 TRP A2027 1.332 -3.245 0.383 1.00 73.30 C ATOM 0 H TRP A2027 -5.171 -5.722 1.191 1.00 21.32 H new ATOM 0 HA TRP A2027 -4.318 -2.959 1.123 1.00 45.30 H new ATOM 0 HB2 TRP A2027 -4.369 -5.140 -0.951 1.00 40.03 H new ATOM 0 HB3 TRP A2027 -3.684 -3.543 -1.184 1.00 40.03 H new ATOM 0 HD1 TRP A2027 -3.074 -6.685 1.025 1.00 22.10 H new ATOM 0 HE1 TRP A2027 -0.582 -6.790 1.731 1.00 13.51 H new ATOM 0 HE3 TRP A2027 -1.685 -2.224 -0.943 1.00 72.12 H new ATOM 0 HZ2 TRP A2027 1.687 -5.105 1.448 1.00 72.10 H new ATOM 0 HZ3 TRP A2027 0.686 -1.530 -0.682 1.00 21.23 H new ATOM 0 HH2 TRP A2027 2.349 -2.890 0.464 1.00 73.30 H new ATOM 261 N HIS A2028 -6.968 -3.973 -0.568 1.00 53.10 N ATOM 262 CA HIS A2028 -8.191 -3.519 -1.207 1.00 71.21 C ATOM 263 C HIS A2028 -8.975 -2.629 -0.241 1.00 32.24 C ATOM 264 O HIS A2028 -9.299 -1.487 -0.564 1.00 1.54 O ATOM 265 CB HIS A2028 -9.010 -4.706 -1.719 1.00 11.42 C ATOM 266 CG HIS A2028 -10.503 -4.528 -1.580 1.00 53.15 C ATOM 267 ND1 HIS A2028 -11.331 -4.740 -0.517 1.00 60.35 N flip ATOM 268 CD2 HIS A2028 -11.304 -4.081 -2.615 1.00 33.04 C flip ATOM 269 CE1 HIS A2028 -12.570 -4.439 -0.882 1.00 60.44 C flip ATOM 270 NE2 HIS A2028 -12.556 -4.032 -2.184 1.00 23.32 N flip ATOM 0 H HIS A2028 -6.839 -4.985 -0.564 1.00 53.10 H new ATOM 0 HA HIS A2028 -7.946 -2.917 -2.082 1.00 71.21 H new ATOM 0 HB2 HIS A2028 -8.771 -4.873 -2.769 1.00 11.42 H new ATOM 0 HB3 HIS A2028 -8.709 -5.603 -1.177 1.00 11.42 H new ATOM 0 HD2 HIS A2028 -10.966 -3.817 -3.606 1.00 33.04 H new ATOM 0 HE1 HIS A2028 -13.445 -4.505 -0.253 1.00 60.44 H new ATOM 0 HE2 HIS A2028 -13.367 -3.741 -2.730 1.00 23.32 H new ATOM 279 N GLU A2029 -9.261 -3.187 0.927 1.00 72.44 N ATOM 280 CA GLU A2029 -10.003 -2.460 1.942 1.00 15.44 C ATOM 281 C GLU A2029 -9.150 -1.324 2.512 1.00 2.34 C ATOM 282 O GLU A2029 -9.660 -0.247 2.809 1.00 73.14 O ATOM 283 CB GLU A2029 -10.478 -3.398 3.053 1.00 34.14 C ATOM 284 CG GLU A2029 -9.372 -3.632 4.084 1.00 11.30 C ATOM 285 CD GLU A2029 -9.782 -4.704 5.097 1.00 74.24 C ATOM 286 OE1 GLU A2029 -10.547 -4.414 6.029 1.00 34.35 O ATOM 287 OE2 GLU A2029 -9.279 -5.873 4.889 1.00 62.33 O ATOM 0 H GLU A2029 -8.992 -4.134 1.192 1.00 72.44 H new ATOM 0 HA GLU A2029 -10.887 -2.026 1.475 1.00 15.44 H new ATOM 0 HB2 GLU A2029 -11.353 -2.972 3.544 1.00 34.14 H new ATOM 0 HB3 GLU A2029 -10.786 -4.351 2.622 1.00 34.14 H new ATOM 0 HG2 GLU A2029 -8.457 -3.937 3.577 1.00 11.30 H new ATOM 0 HG3 GLU A2029 -9.153 -2.700 4.605 1.00 11.30 H new ATOM 295 N GLY A2030 -7.862 -1.607 2.648 1.00 43.25 N ATOM 296 CA GLY A2030 -6.931 -0.623 3.176 1.00 64.24 C ATOM 297 C GLY A2030 -6.952 0.656 2.338 1.00 3.33 C ATOM 298 O GLY A2030 -7.347 1.715 2.823 1.00 33.20 O ATOM 0 H GLY A2030 -7.441 -2.503 2.402 1.00 43.25 H new ATOM 0 HA2 GLY A2030 -7.190 -0.390 4.209 1.00 64.24 H new ATOM 0 HA3 GLY A2030 -5.924 -1.039 3.186 1.00 64.24 H new ATOM 302 N LEU A2031 -6.521 0.516 1.092 1.00 55.03 N ATOM 303 CA LEU A2031 -6.485 1.648 0.182 1.00 50.35 C ATOM 304 C LEU A2031 -7.901 2.199 0.002 1.00 30.24 C ATOM 305 O LEU A2031 -8.085 3.402 -0.171 1.00 21.13 O ATOM 306 CB LEU A2031 -5.806 1.257 -1.132 1.00 42.00 C ATOM 307 CG LEU A2031 -4.707 2.201 -1.627 1.00 21.21 C ATOM 308 CD1 LEU A2031 -3.716 2.525 -0.508 1.00 10.04 C ATOM 309 CD2 LEU A2031 -4.009 1.630 -2.864 1.00 72.24 C ATOM 0 H LEU A2031 -6.194 -0.364 0.692 1.00 55.03 H new ATOM 0 HA LEU A2031 -5.881 2.453 0.600 1.00 50.35 H new ATOM 0 HB2 LEU A2031 -5.377 0.262 -1.014 1.00 42.00 H new ATOM 0 HB3 LEU A2031 -6.571 1.185 -1.905 1.00 42.00 H new ATOM 0 HG LEU A2031 -5.173 3.140 -1.925 1.00 21.21 H new ATOM 0 HD11 LEU A2031 -2.946 3.197 -0.887 1.00 10.04 H new ATOM 0 HD12 LEU A2031 -4.243 3.005 0.317 1.00 10.04 H new ATOM 0 HD13 LEU A2031 -3.252 1.604 -0.155 1.00 10.04 H new ATOM 0 HD21 LEU A2031 -3.233 2.320 -3.195 1.00 72.24 H new ATOM 0 HD22 LEU A2031 -3.558 0.669 -2.616 1.00 72.24 H new ATOM 0 HD23 LEU A2031 -4.738 1.494 -3.663 1.00 72.24 H new ATOM 321 N GLU A2032 -8.864 1.290 0.049 1.00 44.23 N ATOM 322 CA GLU A2032 -10.258 1.670 -0.108 1.00 31.24 C ATOM 323 C GLU A2032 -10.618 2.784 0.877 1.00 34.20 C ATOM 324 O GLU A2032 -11.230 3.781 0.495 1.00 45.34 O ATOM 325 CB GLU A2032 -11.180 0.461 0.073 1.00 13.53 C ATOM 326 CG GLU A2032 -11.592 -0.121 -1.280 1.00 72.32 C ATOM 327 CD GLU A2032 -12.588 0.798 -1.991 1.00 14.14 C ATOM 328 OE1 GLU A2032 -13.330 1.539 -1.327 1.00 24.32 O ATOM 329 OE2 GLU A2032 -12.573 0.728 -3.279 1.00 43.31 O ATOM 0 H GLU A2032 -8.707 0.293 0.193 1.00 44.23 H new ATOM 0 HA GLU A2032 -10.400 2.046 -1.121 1.00 31.24 H new ATOM 0 HB2 GLU A2032 -10.673 -0.303 0.662 1.00 13.53 H new ATOM 0 HB3 GLU A2032 -12.068 0.757 0.631 1.00 13.53 H new ATOM 0 HG2 GLU A2032 -10.709 -0.259 -1.904 1.00 72.32 H new ATOM 0 HG3 GLU A2032 -12.038 -1.105 -1.136 1.00 72.32 H new ATOM 337 N GLU A2033 -10.223 2.580 2.125 1.00 12.10 N ATOM 338 CA GLU A2033 -10.496 3.555 3.166 1.00 23.31 C ATOM 339 C GLU A2033 -9.562 4.759 3.025 1.00 42.13 C ATOM 340 O GLU A2033 -10.015 5.901 3.009 1.00 44.44 O ATOM 341 CB GLU A2033 -10.372 2.924 4.555 1.00 23.52 C ATOM 342 CG GLU A2033 -11.352 3.566 5.538 1.00 23.11 C ATOM 343 CD GLU A2033 -11.734 2.587 6.651 1.00 63.12 C ATOM 344 OE1 GLU A2033 -12.798 1.954 6.580 1.00 51.13 O ATOM 345 OE2 GLU A2033 -10.879 2.495 7.612 1.00 42.42 O ATOM 0 H GLU A2033 -9.715 1.753 2.439 1.00 12.10 H new ATOM 0 HA GLU A2033 -11.523 3.902 3.051 1.00 23.31 H new ATOM 0 HB2 GLU A2033 -10.565 1.853 4.490 1.00 23.52 H new ATOM 0 HB3 GLU A2033 -9.353 3.042 4.923 1.00 23.52 H new ATOM 0 HG2 GLU A2033 -10.904 4.459 5.973 1.00 23.11 H new ATOM 0 HG3 GLU A2033 -12.248 3.886 5.007 1.00 23.11 H new ATOM 353 N ALA A2034 -8.276 4.459 2.927 1.00 42.24 N ATOM 354 CA ALA A2034 -7.273 5.501 2.788 1.00 5.14 C ATOM 355 C ALA A2034 -7.673 6.439 1.646 1.00 53.20 C ATOM 356 O ALA A2034 -7.608 7.659 1.788 1.00 35.54 O ATOM 357 CB ALA A2034 -5.900 4.863 2.563 1.00 54.13 C ATOM 0 H ALA A2034 -7.905 3.509 2.941 1.00 42.24 H new ATOM 0 HA ALA A2034 -7.211 6.097 3.699 1.00 5.14 H new ATOM 0 HB1 ALA A2034 -5.148 5.645 2.459 1.00 54.13 H new ATOM 0 HB2 ALA A2034 -5.649 4.230 3.414 1.00 54.13 H new ATOM 0 HB3 ALA A2034 -5.924 4.259 1.656 1.00 54.13 H new ATOM 363 N SER A2035 -8.078 5.832 0.540 1.00 45.44 N ATOM 364 CA SER A2035 -8.490 6.598 -0.625 1.00 52.21 C ATOM 365 C SER A2035 -9.768 7.378 -0.313 1.00 31.40 C ATOM 366 O SER A2035 -9.851 8.574 -0.586 1.00 75.23 O ATOM 367 CB SER A2035 -8.705 5.686 -1.834 1.00 42.32 C ATOM 368 OG SER A2035 -9.820 4.816 -1.656 1.00 14.31 O ATOM 0 H SER A2035 -8.130 4.820 0.426 1.00 45.44 H new ATOM 0 HA SER A2035 -7.695 7.302 -0.872 1.00 52.21 H new ATOM 0 HB2 SER A2035 -8.859 6.295 -2.725 1.00 42.32 H new ATOM 0 HB3 SER A2035 -7.806 5.093 -2.005 1.00 42.32 H new ATOM 0 HG SER A2035 -9.525 3.993 -1.212 1.00 14.31 H new ATOM 374 N ARG A2036 -10.734 6.669 0.253 1.00 63.53 N ATOM 375 CA ARG A2036 -12.003 7.280 0.603 1.00 13.21 C ATOM 376 C ARG A2036 -11.772 8.561 1.409 1.00 20.10 C ATOM 377 O ARG A2036 -12.341 9.605 1.097 1.00 61.44 O ATOM 378 CB ARG A2036 -12.869 6.320 1.423 1.00 43.23 C ATOM 379 CG ARG A2036 -14.354 6.529 1.123 1.00 60.30 C ATOM 380 CD ARG A2036 -14.775 5.752 -0.126 1.00 43.55 C ATOM 381 NE ARG A2036 -16.145 6.140 -0.527 1.00 33.45 N ATOM 382 CZ ARG A2036 -17.267 5.693 0.081 1.00 21.22 C ATOM 383 NH1 ARG A2036 -17.186 4.837 1.121 1.00 61.22 N ATOM 384 NH2 ARG A2036 -18.441 6.105 -0.360 1.00 72.25 N ATOM 0 H ARG A2036 -10.662 5.677 0.478 1.00 63.53 H new ATOM 0 HA ARG A2036 -12.523 7.519 -0.325 1.00 13.21 H new ATOM 0 HB2 ARG A2036 -12.590 5.291 1.198 1.00 43.23 H new ATOM 0 HB3 ARG A2036 -12.684 6.475 2.486 1.00 43.23 H new ATOM 0 HG2 ARG A2036 -14.950 6.205 1.976 1.00 60.30 H new ATOM 0 HG3 ARG A2036 -14.554 7.591 0.980 1.00 60.30 H new ATOM 0 HD2 ARG A2036 -14.079 5.952 -0.940 1.00 43.55 H new ATOM 0 HD3 ARG A2036 -14.735 4.681 0.072 1.00 43.55 H new ATOM 0 HE ARG A2036 -16.250 6.785 -1.311 1.00 33.45 H new ATOM 0 HH11 ARG A2036 -16.274 4.523 1.453 1.00 61.22 H new ATOM 0 HH12 ARG A2036 -18.037 4.504 1.575 1.00 61.22 H new ATOM 0 HH21 ARG A2036 -18.492 6.751 -1.148 1.00 72.25 H new ATOM 0 HH22 ARG A2036 -19.297 5.778 0.087 1.00 72.25 H new ATOM 396 N LEU A2037 -10.936 8.437 2.427 1.00 54.03 N ATOM 397 CA LEU A2037 -10.621 9.573 3.280 1.00 51.22 C ATOM 398 C LEU A2037 -9.754 10.565 2.501 1.00 24.24 C ATOM 399 O LEU A2037 -9.942 11.775 2.607 1.00 42.04 O ATOM 400 CB LEU A2037 -9.990 9.099 4.590 1.00 55.34 C ATOM 401 CG LEU A2037 -8.718 8.260 4.458 1.00 44.25 C ATOM 402 CD1 LEU A2037 -7.491 9.151 4.248 1.00 12.11 C ATOM 403 CD2 LEU A2037 -8.550 7.326 5.657 1.00 10.31 C ATOM 0 H LEU A2037 -10.466 7.568 2.682 1.00 54.03 H new ATOM 0 HA LEU A2037 -11.531 10.101 3.565 1.00 51.22 H new ATOM 0 HB2 LEU A2037 -9.762 9.975 5.198 1.00 55.34 H new ATOM 0 HB3 LEU A2037 -10.731 8.516 5.137 1.00 55.34 H new ATOM 0 HG LEU A2037 -8.814 7.632 3.572 1.00 44.25 H new ATOM 0 HD11 LEU A2037 -6.601 8.529 4.157 1.00 12.11 H new ATOM 0 HD12 LEU A2037 -7.618 9.737 3.338 1.00 12.11 H new ATOM 0 HD13 LEU A2037 -7.379 9.823 5.099 1.00 12.11 H new ATOM 0 HD21 LEU A2037 -7.638 6.741 5.538 1.00 10.31 H new ATOM 0 HD22 LEU A2037 -8.486 7.916 6.571 1.00 10.31 H new ATOM 0 HD23 LEU A2037 -9.406 6.654 5.718 1.00 10.31 H new ATOM 415 N TYR A2038 -8.821 10.013 1.737 1.00 52.22 N ATOM 416 CA TYR A2038 -7.925 10.834 0.942 1.00 61.24 C ATOM 417 C TYR A2038 -8.710 11.798 0.047 1.00 14.05 C ATOM 418 O TYR A2038 -8.511 13.009 0.111 1.00 21.41 O ATOM 419 CB TYR A2038 -7.139 9.865 0.057 1.00 12.45 C ATOM 420 CG TYR A2038 -6.238 10.551 -0.973 1.00 75.33 C ATOM 421 CD1 TYR A2038 -5.500 11.660 -0.613 1.00 32.14 C ATOM 422 CD2 TYR A2038 -6.167 10.062 -2.261 1.00 31.40 C ATOM 423 CE1 TYR A2038 -4.654 12.306 -1.584 1.00 13.43 C ATOM 424 CE2 TYR A2038 -5.323 10.709 -3.231 1.00 1.43 C ATOM 425 CZ TYR A2038 -4.607 11.798 -2.845 1.00 14.31 C ATOM 426 OH TYR A2038 -3.808 12.408 -3.760 1.00 42.44 O ATOM 0 H TYR A2038 -8.667 9.008 1.653 1.00 52.22 H new ATOM 0 HA TYR A2038 -7.280 11.431 1.587 1.00 61.24 H new ATOM 0 HB2 TYR A2038 -6.526 9.226 0.692 1.00 12.45 H new ATOM 0 HB3 TYR A2038 -7.841 9.216 -0.466 1.00 12.45 H new ATOM 0 HD1 TYR A2038 -5.556 12.043 0.395 1.00 32.14 H new ATOM 0 HD2 TYR A2038 -6.745 9.194 -2.542 1.00 31.40 H new ATOM 0 HE1 TYR A2038 -4.070 13.174 -1.317 1.00 13.43 H new ATOM 0 HE2 TYR A2038 -5.260 10.337 -4.243 1.00 1.43 H new ATOM 0 HH TYR A2038 -3.873 11.937 -4.617 1.00 42.44 H new ATOM 436 N PHE A2039 -9.585 11.220 -0.762 1.00 74.32 N ATOM 437 CA PHE A2039 -10.401 12.014 -1.667 1.00 23.24 C ATOM 438 C PHE A2039 -11.495 12.764 -0.905 1.00 12.41 C ATOM 439 O PHE A2039 -11.920 13.840 -1.320 1.00 70.10 O ATOM 440 CB PHE A2039 -11.056 11.040 -2.647 1.00 24.35 C ATOM 441 CG PHE A2039 -10.119 10.538 -3.747 1.00 0.51 C ATOM 442 CD1 PHE A2039 -9.135 9.649 -3.449 1.00 13.22 C ATOM 443 CD2 PHE A2039 -10.271 10.981 -5.023 1.00 21.30 C ATOM 444 CE1 PHE A2039 -8.264 9.183 -4.468 1.00 70.24 C ATOM 445 CE2 PHE A2039 -9.401 10.514 -6.044 1.00 21.10 C ATOM 446 CZ PHE A2039 -8.416 9.627 -5.746 1.00 32.41 C ATOM 0 H PHE A2039 -9.747 10.214 -0.811 1.00 74.32 H new ATOM 0 HA PHE A2039 -9.781 12.751 -2.177 1.00 23.24 H new ATOM 0 HB2 PHE A2039 -11.438 10.184 -2.091 1.00 24.35 H new ATOM 0 HB3 PHE A2039 -11.914 11.528 -3.110 1.00 24.35 H new ATOM 0 HD1 PHE A2039 -9.016 9.297 -2.435 1.00 13.22 H new ATOM 0 HD2 PHE A2039 -11.053 11.687 -5.260 1.00 21.30 H new ATOM 0 HE1 PHE A2039 -7.482 8.477 -4.230 1.00 70.24 H new ATOM 0 HE2 PHE A2039 -9.523 10.864 -7.058 1.00 21.10 H new ATOM 0 HZ PHE A2039 -7.754 9.274 -6.523 1.00 32.41 H new ATOM 456 N GLY A2040 -11.918 12.166 0.201 1.00 60.05 N ATOM 457 CA GLY A2040 -12.954 12.765 1.025 1.00 62.30 C ATOM 458 C GLY A2040 -12.667 14.248 1.276 1.00 22.42 C ATOM 459 O GLY A2040 -13.372 15.115 0.761 1.00 30.44 O ATOM 0 H GLY A2040 -11.562 11.274 0.544 1.00 60.05 H new ATOM 0 HA2 GLY A2040 -13.922 12.656 0.535 1.00 62.30 H new ATOM 0 HA3 GLY A2040 -13.017 12.237 1.977 1.00 62.30 H new ATOM 463 N GLU A2041 -11.631 14.492 2.063 1.00 13.43 N ATOM 464 CA GLU A2041 -11.241 15.855 2.387 1.00 34.44 C ATOM 465 C GLU A2041 -9.722 16.006 2.304 1.00 61.33 C ATOM 466 O GLU A2041 -9.087 16.468 3.252 1.00 52.13 O ATOM 467 CB GLU A2041 -11.758 16.258 3.770 1.00 2.12 C ATOM 468 CG GLU A2041 -11.307 15.258 4.837 1.00 4.41 C ATOM 469 CD GLU A2041 -12.507 14.651 5.564 1.00 10.42 C ATOM 470 OE1 GLU A2041 -13.189 15.352 6.327 1.00 1.30 O ATOM 471 OE2 GLU A2041 -12.724 13.404 5.311 1.00 54.11 O ATOM 0 H GLU A2041 -11.049 13.770 2.487 1.00 13.43 H new ATOM 0 HA GLU A2041 -11.693 16.526 1.656 1.00 34.44 H new ATOM 0 HB2 GLU A2041 -11.393 17.254 4.022 1.00 2.12 H new ATOM 0 HB3 GLU A2041 -12.847 16.312 3.754 1.00 2.12 H new ATOM 0 HG2 GLU A2041 -10.720 14.466 4.372 1.00 4.41 H new ATOM 0 HG3 GLU A2041 -10.657 15.757 5.556 1.00 4.41 H new ATOM 479 N ARG A2042 -9.180 15.610 1.162 1.00 62.44 N ATOM 480 CA ARG A2042 -7.748 15.698 0.941 1.00 43.40 C ATOM 481 C ARG A2042 -6.995 15.459 2.251 1.00 23.42 C ATOM 482 O ARG A2042 -5.996 16.122 2.527 1.00 40.41 O ATOM 483 CB ARG A2042 -7.359 17.066 0.380 1.00 50.52 C ATOM 484 CG ARG A2042 -6.121 16.960 -0.514 1.00 21.21 C ATOM 485 CD ARG A2042 -6.497 16.464 -1.913 1.00 11.12 C ATOM 486 NE ARG A2042 -5.275 16.259 -2.721 1.00 60.30 N ATOM 487 CZ ARG A2042 -5.269 16.122 -4.065 1.00 72.42 C ATOM 488 NH1 ARG A2042 -6.424 16.169 -4.763 1.00 33.33 N ATOM 489 NH2 ARG A2042 -4.119 15.944 -4.685 1.00 64.20 N ATOM 0 H ARG A2042 -9.709 15.227 0.379 1.00 62.44 H new ATOM 0 HA ARG A2042 -7.477 14.931 0.215 1.00 43.40 H new ATOM 0 HB2 ARG A2042 -8.190 17.479 -0.191 1.00 50.52 H new ATOM 0 HB3 ARG A2042 -7.162 17.757 1.200 1.00 50.52 H new ATOM 0 HG2 ARG A2042 -5.636 17.933 -0.587 1.00 21.21 H new ATOM 0 HG3 ARG A2042 -5.400 16.278 -0.064 1.00 21.21 H new ATOM 0 HD2 ARG A2042 -7.055 15.531 -1.839 1.00 11.12 H new ATOM 0 HD3 ARG A2042 -7.149 17.188 -2.402 1.00 11.12 H new ATOM 0 HE ARG A2042 -4.380 16.219 -2.233 1.00 60.30 H new ATOM 0 HH11 ARG A2042 -7.309 16.309 -4.276 1.00 33.33 H new ATOM 0 HH12 ARG A2042 -6.411 16.065 -5.778 1.00 33.33 H new ATOM 0 HH21 ARG A2042 -3.251 15.911 -4.150 1.00 64.20 H new ATOM 0 HH22 ARG A2042 -4.097 15.839 -5.699 1.00 64.20 H new ATOM 501 N ASN A2043 -7.503 14.511 3.025 1.00 32.03 N ATOM 502 CA ASN A2043 -6.891 14.176 4.300 1.00 40.22 C ATOM 503 C ASN A2043 -6.172 12.831 4.179 1.00 34.11 C ATOM 504 O ASN A2043 -6.753 11.786 4.466 1.00 43.22 O ATOM 505 CB ASN A2043 -7.945 14.051 5.401 1.00 32.52 C ATOM 506 CG ASN A2043 -8.304 15.424 5.975 1.00 15.52 C ATOM 507 OD1 ASN A2043 -8.025 16.460 5.396 1.00 13.51 O ATOM 508 ND2 ASN A2043 -8.935 15.372 7.145 1.00 20.44 N ATOM 0 H ASN A2043 -8.332 13.964 2.794 1.00 32.03 H new ATOM 0 HA ASN A2043 -6.193 14.972 4.558 1.00 40.22 H new ATOM 0 HB2 ASN A2043 -8.840 13.575 5.000 1.00 32.52 H new ATOM 0 HB3 ASN A2043 -7.570 13.407 6.197 1.00 32.52 H new ATOM 0 HD21 ASN A2043 -9.216 16.234 7.612 1.00 20.44 H new ATOM 0 HD22 ASN A2043 -9.138 14.470 7.575 1.00 20.44 H new ATOM 515 N VAL A2044 -4.920 12.903 3.752 1.00 21.15 N ATOM 516 CA VAL A2044 -4.116 11.702 3.588 1.00 50.11 C ATOM 517 C VAL A2044 -3.748 11.150 4.967 1.00 11.22 C ATOM 518 O VAL A2044 -3.251 10.029 5.079 1.00 43.31 O ATOM 519 CB VAL A2044 -2.894 12.006 2.721 1.00 41.11 C ATOM 520 CG1 VAL A2044 -3.277 12.076 1.240 1.00 61.33 C ATOM 521 CG2 VAL A2044 -2.207 13.297 3.171 1.00 22.42 C ATOM 0 H VAL A2044 -4.442 13.772 3.515 1.00 21.15 H new ATOM 0 HA VAL A2044 -4.683 10.930 3.068 1.00 50.11 H new ATOM 0 HB VAL A2044 -2.184 11.189 2.846 1.00 41.11 H new ATOM 0 HG11 VAL A2044 -2.390 12.293 0.645 1.00 61.33 H new ATOM 0 HG12 VAL A2044 -3.698 11.121 0.928 1.00 61.33 H new ATOM 0 HG13 VAL A2044 -4.015 12.864 1.092 1.00 61.33 H new ATOM 0 HG21 VAL A2044 -1.341 13.489 2.537 1.00 22.42 H new ATOM 0 HG22 VAL A2044 -2.907 14.129 3.091 1.00 22.42 H new ATOM 0 HG23 VAL A2044 -1.883 13.195 4.207 1.00 22.42 H new ATOM 531 N LYS A2045 -4.006 11.961 5.982 1.00 13.14 N ATOM 532 CA LYS A2045 -3.707 11.566 7.349 1.00 73.43 C ATOM 533 C LYS A2045 -4.272 10.168 7.608 1.00 74.13 C ATOM 534 O LYS A2045 -3.567 9.290 8.100 1.00 51.52 O ATOM 535 CB LYS A2045 -4.208 12.626 8.334 1.00 24.32 C ATOM 536 CG LYS A2045 -5.704 12.885 8.144 1.00 22.21 C ATOM 537 CD LYS A2045 -6.535 12.062 9.130 1.00 21.24 C ATOM 538 CE LYS A2045 -6.683 12.790 10.466 1.00 44.21 C ATOM 539 NZ LYS A2045 -7.240 11.883 11.494 1.00 13.55 N ATOM 0 H LYS A2045 -4.418 12.889 5.886 1.00 13.14 H new ATOM 0 HA LYS A2045 -2.629 11.506 7.501 1.00 73.43 H new ATOM 0 HB2 LYS A2045 -4.019 12.297 9.356 1.00 24.32 H new ATOM 0 HB3 LYS A2045 -3.653 13.553 8.190 1.00 24.32 H new ATOM 0 HG2 LYS A2045 -5.913 13.946 8.284 1.00 22.21 H new ATOM 0 HG3 LYS A2045 -5.993 12.635 7.123 1.00 22.21 H new ATOM 0 HD2 LYS A2045 -7.521 11.868 8.707 1.00 21.24 H new ATOM 0 HD3 LYS A2045 -6.061 11.094 9.290 1.00 21.24 H new ATOM 0 HE2 LYS A2045 -5.713 13.165 10.791 1.00 44.21 H new ATOM 0 HE3 LYS A2045 -7.335 13.655 10.345 1.00 44.21 H new ATOM 0 HZ1 LYS A2045 -7.333 12.395 12.395 1.00 13.55 H new ATOM 0 HZ2 LYS A2045 -8.175 11.545 11.189 1.00 13.55 H new ATOM 0 HZ3 LYS A2045 -6.603 11.071 11.622 1.00 13.55 H new ATOM 552 N GLY A2046 -5.542 10.007 7.265 1.00 22.53 N ATOM 553 CA GLY A2046 -6.211 8.731 7.453 1.00 31.23 C ATOM 554 C GLY A2046 -5.426 7.597 6.793 1.00 14.24 C ATOM 555 O GLY A2046 -5.161 6.573 7.421 1.00 24.42 O ATOM 0 H GLY A2046 -6.125 10.739 6.858 1.00 22.53 H new ATOM 0 HA2 GLY A2046 -6.323 8.529 8.518 1.00 31.23 H new ATOM 0 HA3 GLY A2046 -7.215 8.777 7.030 1.00 31.23 H new ATOM 559 N MET A2047 -5.074 7.816 5.535 1.00 54.52 N ATOM 560 CA MET A2047 -4.321 6.827 4.783 1.00 32.44 C ATOM 561 C MET A2047 -3.076 6.384 5.552 1.00 31.41 C ATOM 562 O MET A2047 -2.895 5.196 5.816 1.00 40.31 O ATOM 563 CB MET A2047 -3.906 7.415 3.434 1.00 71.54 C ATOM 564 CG MET A2047 -2.810 6.573 2.782 1.00 43.55 C ATOM 565 SD MET A2047 -2.096 7.457 1.405 1.00 51.04 S ATOM 566 CE MET A2047 -1.244 8.758 2.281 1.00 65.24 C ATOM 0 H MET A2047 -5.297 8.666 5.017 1.00 54.52 H new ATOM 0 HA MET A2047 -4.958 5.956 4.628 1.00 32.44 H new ATOM 0 HB2 MET A2047 -4.772 7.465 2.774 1.00 71.54 H new ATOM 0 HB3 MET A2047 -3.551 8.436 3.572 1.00 71.54 H new ATOM 0 HG2 MET A2047 -2.037 6.338 3.514 1.00 43.55 H new ATOM 0 HG3 MET A2047 -3.224 5.624 2.440 1.00 43.55 H new ATOM 0 HE1 MET A2047 -1.620 9.726 1.950 1.00 65.24 H new ATOM 0 HE2 MET A2047 -1.416 8.649 3.352 1.00 65.24 H new ATOM 0 HE3 MET A2047 -0.175 8.695 2.077 1.00 65.24 H new ATOM 576 N PHE A2048 -2.249 7.363 5.889 1.00 21.21 N ATOM 577 CA PHE A2048 -1.025 7.089 6.622 1.00 34.11 C ATOM 578 C PHE A2048 -1.300 6.204 7.840 1.00 41.01 C ATOM 579 O PHE A2048 -0.538 5.285 8.130 1.00 53.41 O ATOM 580 CB PHE A2048 -0.477 8.435 7.097 1.00 11.44 C ATOM 581 CG PHE A2048 0.059 9.323 5.972 1.00 24.52 C ATOM 582 CD1 PHE A2048 0.777 8.771 4.957 1.00 74.24 C ATOM 583 CD2 PHE A2048 -0.184 10.659 5.987 1.00 43.35 C ATOM 584 CE1 PHE A2048 1.273 9.595 3.912 1.00 61.00 C ATOM 585 CE2 PHE A2048 0.313 11.483 4.942 1.00 52.51 C ATOM 586 CZ PHE A2048 1.030 10.933 3.926 1.00 14.50 C ATOM 0 H PHE A2048 -2.403 8.347 5.668 1.00 21.21 H new ATOM 0 HA PHE A2048 -0.317 6.565 5.980 1.00 34.11 H new ATOM 0 HB2 PHE A2048 -1.266 8.971 7.624 1.00 11.44 H new ATOM 0 HB3 PHE A2048 0.322 8.256 7.817 1.00 11.44 H new ATOM 0 HD1 PHE A2048 0.969 7.708 4.946 1.00 74.24 H new ATOM 0 HD2 PHE A2048 -0.755 11.095 6.793 1.00 43.35 H new ATOM 0 HE1 PHE A2048 1.844 9.159 3.106 1.00 61.00 H new ATOM 0 HE2 PHE A2048 0.121 12.546 4.955 1.00 52.51 H new ATOM 0 HZ PHE A2048 1.406 11.559 3.130 1.00 14.50 H new ATOM 596 N GLU A2049 -2.395 6.515 8.520 1.00 31.41 N ATOM 597 CA GLU A2049 -2.782 5.759 9.701 1.00 63.35 C ATOM 598 C GLU A2049 -3.407 4.424 9.295 1.00 5.41 C ATOM 599 O GLU A2049 -3.536 3.519 10.118 1.00 1.44 O ATOM 600 CB GLU A2049 -3.739 6.568 10.578 1.00 43.11 C ATOM 601 CG GLU A2049 -3.196 7.976 10.828 1.00 71.55 C ATOM 602 CD GLU A2049 -4.296 8.903 11.351 1.00 55.31 C ATOM 603 OE1 GLU A2049 -4.215 9.377 12.495 1.00 62.20 O ATOM 604 OE2 GLU A2049 -5.259 9.127 10.523 1.00 14.41 O ATOM 0 H GLU A2049 -3.026 7.279 8.276 1.00 31.41 H new ATOM 0 HA GLU A2049 -1.887 5.555 10.288 1.00 63.35 H new ATOM 0 HB2 GLU A2049 -4.715 6.631 10.096 1.00 43.11 H new ATOM 0 HB3 GLU A2049 -3.886 6.057 11.529 1.00 43.11 H new ATOM 0 HG2 GLU A2049 -2.379 7.932 11.549 1.00 71.55 H new ATOM 0 HG3 GLU A2049 -2.784 8.380 9.903 1.00 71.55 H new ATOM 612 N VAL A2050 -3.780 4.341 8.025 1.00 63.43 N ATOM 613 CA VAL A2050 -4.388 3.131 7.500 1.00 0.04 C ATOM 614 C VAL A2050 -3.287 2.159 7.067 1.00 34.14 C ATOM 615 O VAL A2050 -3.364 0.964 7.348 1.00 75.55 O ATOM 616 CB VAL A2050 -5.355 3.480 6.369 1.00 61.10 C ATOM 617 CG1 VAL A2050 -5.597 2.272 5.460 1.00 33.30 C ATOM 618 CG2 VAL A2050 -6.675 4.022 6.923 1.00 45.24 C ATOM 0 H VAL A2050 -3.672 5.093 7.345 1.00 63.43 H new ATOM 0 HA VAL A2050 -4.977 2.634 8.271 1.00 0.04 H new ATOM 0 HB VAL A2050 -4.896 4.265 5.768 1.00 61.10 H new ATOM 0 HG11 VAL A2050 -6.289 2.548 4.664 1.00 33.30 H new ATOM 0 HG12 VAL A2050 -4.652 1.950 5.024 1.00 33.30 H new ATOM 0 HG13 VAL A2050 -6.023 1.457 6.044 1.00 33.30 H new ATOM 0 HG21 VAL A2050 -7.345 4.262 6.097 1.00 45.24 H new ATOM 0 HG22 VAL A2050 -7.139 3.269 7.559 1.00 45.24 H new ATOM 0 HG23 VAL A2050 -6.482 4.922 7.508 1.00 45.24 H new ATOM 628 N LEU A2051 -2.289 2.708 6.392 1.00 43.23 N ATOM 629 CA LEU A2051 -1.174 1.905 5.918 1.00 20.23 C ATOM 630 C LEU A2051 -0.239 1.599 7.088 1.00 53.41 C ATOM 631 O LEU A2051 0.217 0.465 7.246 1.00 72.34 O ATOM 632 CB LEU A2051 -0.482 2.591 4.740 1.00 43.15 C ATOM 633 CG LEU A2051 -1.334 3.584 3.947 1.00 53.02 C ATOM 634 CD1 LEU A2051 -0.693 3.897 2.593 1.00 52.12 C ATOM 635 CD2 LEU A2051 -2.770 3.078 3.798 1.00 64.33 C ATOM 0 H LEU A2051 -2.228 3.700 6.162 1.00 43.23 H new ATOM 0 HA LEU A2051 -1.529 0.948 5.535 1.00 20.23 H new ATOM 0 HB2 LEU A2051 0.396 3.116 5.116 1.00 43.15 H new ATOM 0 HB3 LEU A2051 -0.125 1.821 4.056 1.00 43.15 H new ATOM 0 HG LEU A2051 -1.379 4.519 4.506 1.00 53.02 H new ATOM 0 HD11 LEU A2051 -1.318 4.605 2.049 1.00 52.12 H new ATOM 0 HD12 LEU A2051 0.295 4.331 2.750 1.00 52.12 H new ATOM 0 HD13 LEU A2051 -0.598 2.978 2.014 1.00 52.12 H new ATOM 0 HD21 LEU A2051 -3.354 3.803 3.231 1.00 64.33 H new ATOM 0 HD22 LEU A2051 -2.767 2.123 3.272 1.00 64.33 H new ATOM 0 HD23 LEU A2051 -3.214 2.947 4.785 1.00 64.33 H new ATOM 647 N GLU A2052 0.023 2.627 7.881 1.00 60.32 N ATOM 648 CA GLU A2052 0.897 2.483 9.033 1.00 12.33 C ATOM 649 C GLU A2052 0.690 1.117 9.688 1.00 43.13 C ATOM 650 O GLU A2052 1.642 0.359 9.869 1.00 44.54 O ATOM 651 CB GLU A2052 0.672 3.614 10.039 1.00 22.42 C ATOM 652 CG GLU A2052 1.828 4.613 10.009 1.00 21.20 C ATOM 653 CD GLU A2052 2.067 5.134 8.589 1.00 54.25 C ATOM 654 OE1 GLU A2052 2.666 4.430 7.764 1.00 1.41 O ATOM 655 OE2 GLU A2052 1.604 6.316 8.357 1.00 54.25 O ATOM 0 H GLU A2052 -0.355 3.565 7.748 1.00 60.32 H new ATOM 0 HA GLU A2052 1.930 2.548 8.691 1.00 12.33 H new ATOM 0 HB2 GLU A2052 -0.262 4.127 9.812 1.00 22.42 H new ATOM 0 HB3 GLU A2052 0.572 3.199 11.042 1.00 22.42 H new ATOM 0 HG2 GLU A2052 1.609 5.448 10.674 1.00 21.20 H new ATOM 0 HG3 GLU A2052 2.734 4.137 10.383 1.00 21.20 H new ATOM 663 N PRO A2053 -0.594 0.835 10.035 1.00 64.11 N ATOM 664 CA PRO A2053 -0.938 -0.427 10.667 1.00 13.44 C ATOM 665 C PRO A2053 -0.926 -1.570 9.650 1.00 21.45 C ATOM 666 O PRO A2053 -0.285 -2.596 9.871 1.00 70.24 O ATOM 667 CB PRO A2053 -2.307 -0.198 11.287 1.00 63.33 C ATOM 668 CG PRO A2053 -2.881 1.024 10.587 1.00 52.44 C ATOM 669 CD PRO A2053 -1.747 1.707 9.837 1.00 32.01 C ATOM 0 HA PRO A2053 -0.217 -0.726 11.428 1.00 13.44 H new ATOM 0 HB2 PRO A2053 -2.950 -1.067 11.146 1.00 63.33 H new ATOM 0 HB3 PRO A2053 -2.227 -0.031 12.361 1.00 63.33 H new ATOM 0 HG2 PRO A2053 -3.673 0.732 9.898 1.00 52.44 H new ATOM 0 HG3 PRO A2053 -3.325 1.706 11.312 1.00 52.44 H new ATOM 0 HD2 PRO A2053 -1.983 1.818 8.779 1.00 32.01 H new ATOM 0 HD3 PRO A2053 -1.559 2.707 10.228 1.00 32.01 H new ATOM 677 N LEU A2054 -1.645 -1.357 8.557 1.00 31.20 N ATOM 678 CA LEU A2054 -1.726 -2.356 7.505 1.00 55.40 C ATOM 679 C LEU A2054 -0.315 -2.851 7.172 1.00 20.50 C ATOM 680 O LEU A2054 -0.047 -4.051 7.222 1.00 74.03 O ATOM 681 CB LEU A2054 -2.485 -1.803 6.299 1.00 70.51 C ATOM 682 CG LEU A2054 -4.004 -1.989 6.322 1.00 30.21 C ATOM 683 CD1 LEU A2054 -4.495 -2.329 7.731 1.00 41.22 C ATOM 684 CD2 LEU A2054 -4.715 -0.760 5.749 1.00 20.02 C ATOM 0 H LEU A2054 -2.177 -0.506 8.377 1.00 31.20 H new ATOM 0 HA LEU A2054 -2.298 -3.221 7.841 1.00 55.40 H new ATOM 0 HB2 LEU A2054 -2.270 -0.738 6.216 1.00 70.51 H new ATOM 0 HB3 LEU A2054 -2.094 -2.278 5.399 1.00 70.51 H new ATOM 0 HG LEU A2054 -4.254 -2.835 5.682 1.00 30.21 H new ATOM 0 HD11 LEU A2054 -5.578 -2.456 7.718 1.00 41.22 H new ATOM 0 HD12 LEU A2054 -4.025 -3.254 8.067 1.00 41.22 H new ATOM 0 HD13 LEU A2054 -4.232 -1.520 8.413 1.00 41.22 H new ATOM 0 HD21 LEU A2054 -5.793 -0.918 5.777 1.00 20.02 H new ATOM 0 HD22 LEU A2054 -4.461 0.117 6.344 1.00 20.02 H new ATOM 0 HD23 LEU A2054 -4.398 -0.604 4.718 1.00 20.02 H new ATOM 696 N HIS A2055 0.545 -1.903 6.837 1.00 41.12 N ATOM 697 CA HIS A2055 1.920 -2.228 6.493 1.00 63.42 C ATOM 698 C HIS A2055 2.603 -2.895 7.689 1.00 42.12 C ATOM 699 O HIS A2055 3.169 -3.980 7.559 1.00 54.14 O ATOM 700 CB HIS A2055 2.665 -0.987 6.000 1.00 10.03 C ATOM 701 CG HIS A2055 2.112 -0.406 4.720 1.00 73.53 C ATOM 702 ND1 HIS A2055 1.153 -0.874 3.870 1.00 34.14 N flip ATOM 703 CD2 HIS A2055 2.550 0.796 4.190 1.00 12.42 C flip ATOM 704 CE1 HIS A2055 1.013 -0.005 2.876 1.00 72.31 C flip ATOM 705 NE2 HIS A2055 1.879 1.030 3.073 1.00 20.04 N flip ATOM 0 H HIS A2055 0.318 -0.909 6.796 1.00 41.12 H new ATOM 0 HA HIS A2055 1.934 -2.939 5.667 1.00 63.42 H new ATOM 0 HB2 HIS A2055 2.632 -0.224 6.777 1.00 10.03 H new ATOM 0 HB3 HIS A2055 3.714 -1.242 5.848 1.00 10.03 H new ATOM 0 HD2 HIS A2055 3.310 1.434 4.616 1.00 12.42 H new ATOM 0 HE1 HIS A2055 0.326 -0.102 2.048 1.00 72.31 H new ATOM 0 HE2 HIS A2055 1.990 1.842 2.466 1.00 20.04 H new ATOM 714 N ALA A2056 2.530 -2.217 8.825 1.00 32.43 N ATOM 715 CA ALA A2056 3.133 -2.729 10.043 1.00 4.42 C ATOM 716 C ALA A2056 2.677 -4.172 10.264 1.00 73.31 C ATOM 717 O ALA A2056 3.501 -5.063 10.470 1.00 14.10 O ATOM 718 CB ALA A2056 2.773 -1.815 11.214 1.00 31.25 C ATOM 0 H ALA A2056 2.062 -1.317 8.927 1.00 32.43 H new ATOM 0 HA ALA A2056 4.220 -2.737 9.961 1.00 4.42 H new ATOM 0 HB1 ALA A2056 3.226 -2.199 12.128 1.00 31.25 H new ATOM 0 HB2 ALA A2056 3.146 -0.810 11.019 1.00 31.25 H new ATOM 0 HB3 ALA A2056 1.690 -1.783 11.331 1.00 31.25 H new ATOM 724 N MET A2057 1.366 -4.358 10.216 1.00 20.24 N ATOM 725 CA MET A2057 0.789 -5.678 10.409 1.00 10.44 C ATOM 726 C MET A2057 1.470 -6.712 9.509 1.00 13.51 C ATOM 727 O MET A2057 1.694 -7.848 9.922 1.00 55.24 O ATOM 728 CB MET A2057 -0.707 -5.634 10.095 1.00 14.23 C ATOM 729 CG MET A2057 -1.067 -6.638 9.001 1.00 20.14 C ATOM 730 SD MET A2057 -2.838 -6.703 8.789 1.00 31.54 S ATOM 731 CE MET A2057 -2.932 -6.961 7.026 1.00 43.23 C ATOM 0 H MET A2057 0.687 -3.616 10.046 1.00 20.24 H new ATOM 0 HA MET A2057 0.942 -5.971 11.448 1.00 10.44 H new ATOM 0 HB2 MET A2057 -1.278 -5.853 10.997 1.00 14.23 H new ATOM 0 HB3 MET A2057 -0.986 -4.629 9.778 1.00 14.23 H new ATOM 0 HG2 MET A2057 -0.591 -6.352 8.063 1.00 20.14 H new ATOM 0 HG3 MET A2057 -0.688 -7.626 9.263 1.00 20.14 H new ATOM 0 HE1 MET A2057 -3.975 -7.078 6.731 1.00 43.23 H new ATOM 0 HE2 MET A2057 -2.503 -6.103 6.509 1.00 43.23 H new ATOM 0 HE3 MET A2057 -2.376 -7.860 6.760 1.00 43.23 H new ATOM 741 N MET A2058 1.780 -6.279 8.296 1.00 32.21 N ATOM 742 CA MET A2058 2.431 -7.151 7.334 1.00 24.44 C ATOM 743 C MET A2058 3.856 -7.489 7.776 1.00 64.34 C ATOM 744 O MET A2058 4.354 -8.580 7.501 1.00 73.22 O ATOM 745 CB MET A2058 2.467 -6.467 5.967 1.00 55.21 C ATOM 746 CG MET A2058 1.052 -6.204 5.447 1.00 51.55 C ATOM 747 SD MET A2058 0.637 -7.390 4.181 1.00 25.22 S ATOM 748 CE MET A2058 -1.045 -7.767 4.648 1.00 52.23 C ATOM 0 H MET A2058 1.592 -5.335 7.957 1.00 32.21 H new ATOM 0 HA MET A2058 1.862 -8.079 7.270 1.00 24.44 H new ATOM 0 HB2 MET A2058 3.011 -5.526 6.042 1.00 55.21 H new ATOM 0 HB3 MET A2058 3.008 -7.093 5.258 1.00 55.21 H new ATOM 0 HG2 MET A2058 0.336 -6.269 6.267 1.00 51.55 H new ATOM 0 HG3 MET A2058 0.985 -5.193 5.046 1.00 51.55 H new ATOM 0 HE1 MET A2058 -1.600 -8.099 3.771 1.00 52.23 H new ATOM 0 HE2 MET A2058 -1.046 -8.557 5.399 1.00 52.23 H new ATOM 0 HE3 MET A2058 -1.517 -6.875 5.060 1.00 52.23 H new ATOM 758 N GLU A2059 4.474 -6.532 8.452 1.00 70.54 N ATOM 759 CA GLU A2059 5.832 -6.714 8.934 1.00 51.22 C ATOM 760 C GLU A2059 5.838 -7.592 10.187 1.00 61.12 C ATOM 761 O GLU A2059 6.387 -8.693 10.175 1.00 35.04 O ATOM 762 CB GLU A2059 6.502 -5.365 9.207 1.00 32.45 C ATOM 763 CG GLU A2059 6.088 -4.326 8.164 1.00 50.03 C ATOM 764 CD GLU A2059 5.998 -4.953 6.771 1.00 42.32 C ATOM 765 OE1 GLU A2059 6.770 -5.869 6.452 1.00 43.22 O ATOM 766 OE2 GLU A2059 5.083 -4.457 6.009 1.00 52.53 O ATOM 0 H GLU A2059 4.059 -5.628 8.677 1.00 70.54 H new ATOM 0 HA GLU A2059 6.407 -7.219 8.158 1.00 51.22 H new ATOM 0 HB2 GLU A2059 6.230 -5.015 10.203 1.00 32.45 H new ATOM 0 HB3 GLU A2059 7.585 -5.484 9.196 1.00 32.45 H new ATOM 0 HG2 GLU A2059 5.124 -3.896 8.436 1.00 50.03 H new ATOM 0 HG3 GLU A2059 6.809 -3.509 8.153 1.00 50.03 H new ATOM 774 N ARG A2060 5.222 -7.073 11.239 1.00 30.22 N ATOM 775 CA ARG A2060 5.149 -7.796 12.496 1.00 15.44 C ATOM 776 C ARG A2060 4.211 -8.997 12.363 1.00 15.50 C ATOM 777 O ARG A2060 4.262 -9.922 13.174 1.00 15.33 O ATOM 778 CB ARG A2060 4.650 -6.890 13.625 1.00 44.43 C ATOM 779 CG ARG A2060 3.213 -6.436 13.367 1.00 34.33 C ATOM 780 CD ARG A2060 2.733 -5.485 14.467 1.00 3.35 C ATOM 781 NE ARG A2060 1.726 -6.160 15.317 1.00 2.35 N ATOM 782 CZ ARG A2060 2.029 -6.898 16.405 1.00 61.42 C ATOM 783 NH1 ARG A2060 3.313 -7.062 16.788 1.00 74.41 N ATOM 784 NH2 ARG A2060 1.049 -7.456 17.092 1.00 32.44 N ATOM 0 H ARG A2060 4.769 -6.159 11.246 1.00 30.22 H new ATOM 0 HA ARG A2060 6.154 -8.140 12.740 1.00 15.44 H new ATOM 0 HB2 ARG A2060 4.702 -7.423 14.574 1.00 44.43 H new ATOM 0 HB3 ARG A2060 5.300 -6.020 13.712 1.00 44.43 H new ATOM 0 HG2 ARG A2060 3.153 -5.938 12.399 1.00 34.33 H new ATOM 0 HG3 ARG A2060 2.556 -7.305 13.320 1.00 34.33 H new ATOM 0 HD2 ARG A2060 3.578 -5.164 15.076 1.00 3.35 H new ATOM 0 HD3 ARG A2060 2.302 -4.588 14.021 1.00 3.35 H new ATOM 0 HE ARG A2060 0.743 -6.061 15.064 1.00 2.35 H new ATOM 0 HH11 ARG A2060 4.064 -6.626 16.253 1.00 74.41 H new ATOM 0 HH12 ARG A2060 3.532 -7.622 17.612 1.00 74.41 H new ATOM 0 HH21 ARG A2060 0.081 -7.326 16.797 1.00 32.44 H new ATOM 0 HH22 ARG A2060 1.260 -8.017 17.917 1.00 32.44 H new ATOM 796 N GLY A2061 3.376 -8.946 11.336 1.00 42.13 N ATOM 797 CA GLY A2061 2.429 -10.020 11.086 1.00 34.14 C ATOM 798 C GLY A2061 2.681 -10.670 9.725 1.00 21.14 C ATOM 799 O GLY A2061 1.967 -10.400 8.762 1.00 35.23 O ATOM 0 H GLY A2061 3.335 -8.177 10.667 1.00 42.13 H new ATOM 0 HA2 GLY A2061 2.510 -10.771 11.872 1.00 34.14 H new ATOM 0 HA3 GLY A2061 1.412 -9.629 11.123 1.00 34.14 H new ATOM 803 N PRO A2062 3.729 -11.537 9.688 1.00 0.13 N ATOM 804 CA PRO A2062 4.086 -12.227 8.461 1.00 24.22 C ATOM 805 C PRO A2062 3.096 -13.356 8.160 1.00 63.04 C ATOM 806 O PRO A2062 1.992 -13.378 8.701 1.00 63.51 O ATOM 807 CB PRO A2062 5.503 -12.727 8.688 1.00 52.41 C ATOM 808 CG PRO A2062 5.718 -12.703 10.192 1.00 41.40 C ATOM 809 CD PRO A2062 4.599 -11.881 10.810 1.00 70.13 C ATOM 0 HA PRO A2062 4.042 -11.579 7.586 1.00 24.22 H new ATOM 0 HB2 PRO A2062 5.630 -13.734 8.291 1.00 52.41 H new ATOM 0 HB3 PRO A2062 6.228 -12.091 8.180 1.00 52.41 H new ATOM 0 HG2 PRO A2062 5.714 -13.716 10.594 1.00 41.40 H new ATOM 0 HG3 PRO A2062 6.688 -12.268 10.432 1.00 41.40 H new ATOM 0 HD2 PRO A2062 4.061 -12.451 11.568 1.00 70.13 H new ATOM 0 HD3 PRO A2062 4.987 -10.987 11.299 1.00 70.13 H new ATOM 817 N GLN A2063 3.527 -14.263 7.298 1.00 4.23 N ATOM 818 CA GLN A2063 2.694 -15.390 6.918 1.00 23.30 C ATOM 819 C GLN A2063 3.551 -16.644 6.724 1.00 11.41 C ATOM 820 O GLN A2063 3.409 -17.617 7.463 1.00 42.15 O ATOM 821 CB GLN A2063 1.889 -15.076 5.655 1.00 20.44 C ATOM 822 CG GLN A2063 0.410 -15.425 5.846 1.00 40.35 C ATOM 823 CD GLN A2063 -0.487 -14.325 5.275 1.00 75.43 C ATOM 824 OE1 GLN A2063 -0.633 -14.377 3.953 1.00 35.44 O flip ATOM 825 NE2 GLN A2063 -1.014 -13.485 5.986 1.00 55.41 N flip ATOM 0 H GLN A2063 4.444 -14.241 6.851 1.00 4.23 H new ATOM 0 HA GLN A2063 1.985 -15.580 7.724 1.00 23.30 H new ATOM 0 HB2 GLN A2063 1.988 -14.019 5.410 1.00 20.44 H new ATOM 0 HB3 GLN A2063 2.293 -15.638 4.813 1.00 20.44 H new ATOM 0 HG2 GLN A2063 0.189 -16.372 5.354 1.00 40.35 H new ATOM 0 HG3 GLN A2063 0.198 -15.559 6.907 1.00 40.35 H new ATOM 0 HE21 GLN A2063 -0.861 -13.502 6.994 1.00 55.41 H new ATOM 0 HE22 GLN A2063 -1.608 -12.766 5.572 1.00 55.41 H new ATOM 834 N THR A2064 4.421 -16.578 5.727 1.00 5.31 N ATOM 835 CA THR A2064 5.301 -17.695 5.427 1.00 62.55 C ATOM 836 C THR A2064 6.236 -17.342 4.267 1.00 31.43 C ATOM 837 O THR A2064 6.122 -16.268 3.679 1.00 53.35 O ATOM 838 CB THR A2064 4.431 -18.923 5.152 1.00 32.43 C ATOM 839 OG1 THR A2064 5.357 -19.917 4.723 1.00 22.14 O ATOM 840 CG2 THR A2064 3.506 -18.730 3.949 1.00 42.34 C ATOM 0 H THR A2064 4.535 -15.769 5.117 1.00 5.31 H new ATOM 0 HA THR A2064 5.952 -17.922 6.271 1.00 62.55 H new ATOM 0 HB THR A2064 3.833 -19.148 6.035 1.00 32.43 H new ATOM 0 HG1 THR A2064 5.901 -20.207 5.484 1.00 22.14 H new ATOM 0 HG21 THR A2064 2.912 -19.631 3.799 1.00 42.34 H new ATOM 0 HG22 THR A2064 2.843 -17.884 4.132 1.00 42.34 H new ATOM 0 HG23 THR A2064 4.103 -18.537 3.058 1.00 42.34 H new ATOM 848 N LEU A2065 7.137 -18.267 3.974 1.00 73.41 N ATOM 849 CA LEU A2065 8.090 -18.067 2.895 1.00 71.12 C ATOM 850 C LEU A2065 7.333 -17.752 1.604 1.00 34.32 C ATOM 851 O LEU A2065 7.846 -17.050 0.734 1.00 44.33 O ATOM 852 CB LEU A2065 9.029 -19.269 2.780 1.00 22.20 C ATOM 853 CG LEU A2065 10.504 -19.001 3.083 1.00 53.32 C ATOM 854 CD1 LEU A2065 11.045 -19.999 4.107 1.00 23.22 C ATOM 855 CD2 LEU A2065 11.336 -18.989 1.798 1.00 21.35 C ATOM 0 H LEU A2065 7.228 -19.157 4.464 1.00 73.41 H new ATOM 0 HA LEU A2065 8.731 -17.211 3.106 1.00 71.12 H new ATOM 0 HB2 LEU A2065 8.675 -20.047 3.457 1.00 22.20 H new ATOM 0 HB3 LEU A2065 8.953 -19.668 1.769 1.00 22.20 H new ATOM 0 HG LEU A2065 10.585 -18.009 3.528 1.00 53.32 H new ATOM 0 HD11 LEU A2065 12.096 -19.785 4.304 1.00 23.22 H new ATOM 0 HD12 LEU A2065 10.478 -19.913 5.034 1.00 23.22 H new ATOM 0 HD13 LEU A2065 10.948 -21.011 3.715 1.00 23.22 H new ATOM 0 HD21 LEU A2065 12.381 -18.796 2.043 1.00 21.35 H new ATOM 0 HD22 LEU A2065 11.252 -19.956 1.301 1.00 21.35 H new ATOM 0 HD23 LEU A2065 10.969 -18.207 1.134 1.00 21.35 H new ATOM 867 N LYS A2066 6.123 -18.287 1.519 1.00 44.44 N ATOM 868 CA LYS A2066 5.290 -18.072 0.347 1.00 4.44 C ATOM 869 C LYS A2066 4.889 -16.598 0.277 1.00 30.21 C ATOM 870 O LYS A2066 4.862 -16.010 -0.804 1.00 34.12 O ATOM 871 CB LYS A2066 4.103 -19.036 0.351 1.00 74.42 C ATOM 872 CG LYS A2066 4.464 -20.357 -0.329 1.00 61.14 C ATOM 873 CD LYS A2066 3.221 -21.024 -0.924 1.00 4.50 C ATOM 874 CE LYS A2066 3.592 -21.897 -2.127 1.00 41.12 C ATOM 875 NZ LYS A2066 3.790 -23.302 -1.705 1.00 40.02 N ATOM 0 H LYS A2066 5.700 -18.869 2.242 1.00 44.44 H new ATOM 0 HA LYS A2066 5.846 -18.294 -0.564 1.00 4.44 H new ATOM 0 HB2 LYS A2066 3.788 -19.226 1.377 1.00 74.42 H new ATOM 0 HB3 LYS A2066 3.257 -18.578 -0.162 1.00 74.42 H new ATOM 0 HG2 LYS A2066 5.197 -20.177 -1.116 1.00 61.14 H new ATOM 0 HG3 LYS A2066 4.930 -21.027 0.394 1.00 61.14 H new ATOM 0 HD2 LYS A2066 2.732 -21.634 -0.164 1.00 4.50 H new ATOM 0 HD3 LYS A2066 2.505 -20.261 -1.230 1.00 4.50 H new ATOM 0 HE2 LYS A2066 2.805 -21.844 -2.879 1.00 41.12 H new ATOM 0 HE3 LYS A2066 4.503 -21.519 -2.592 1.00 41.12 H new ATOM 0 HZ1 LYS A2066 4.041 -23.881 -2.532 1.00 40.02 H new ATOM 0 HZ2 LYS A2066 4.557 -23.349 -1.004 1.00 40.02 H new ATOM 0 HZ3 LYS A2066 2.912 -23.665 -1.282 1.00 40.02 H new ATOM 888 N GLU A2067 4.587 -16.044 1.440 1.00 74.01 N ATOM 889 CA GLU A2067 4.187 -14.648 1.525 1.00 64.50 C ATOM 890 C GLU A2067 5.421 -13.744 1.555 1.00 24.43 C ATOM 891 O GLU A2067 5.332 -12.555 1.249 1.00 33.04 O ATOM 892 CB GLU A2067 3.299 -14.406 2.747 1.00 73.30 C ATOM 893 CG GLU A2067 3.226 -12.915 3.083 1.00 11.23 C ATOM 894 CD GLU A2067 4.399 -12.496 3.971 1.00 51.04 C ATOM 895 OE1 GLU A2067 5.260 -11.718 3.535 1.00 44.23 O ATOM 896 OE2 GLU A2067 4.395 -13.006 5.156 1.00 0.51 O ATOM 0 H GLU A2067 4.611 -16.536 2.333 1.00 74.01 H new ATOM 0 HA GLU A2067 3.602 -14.402 0.638 1.00 64.50 H new ATOM 0 HB2 GLU A2067 2.297 -14.789 2.555 1.00 73.30 H new ATOM 0 HB3 GLU A2067 3.692 -14.957 3.602 1.00 73.30 H new ATOM 0 HG2 GLU A2067 3.234 -12.330 2.163 1.00 11.23 H new ATOM 0 HG3 GLU A2067 2.286 -12.698 3.590 1.00 11.23 H new ATOM 904 N THR A2068 6.544 -14.342 1.927 1.00 55.32 N ATOM 905 CA THR A2068 7.794 -13.604 2.000 1.00 33.10 C ATOM 906 C THR A2068 8.085 -12.911 0.668 1.00 61.41 C ATOM 907 O THR A2068 8.738 -11.871 0.633 1.00 3.11 O ATOM 908 CB THR A2068 8.893 -14.578 2.431 1.00 25.42 C ATOM 909 OG1 THR A2068 8.628 -14.811 3.813 1.00 1.33 O ATOM 910 CG2 THR A2068 10.281 -13.936 2.421 1.00 2.33 C ATOM 0 H THR A2068 6.614 -15.327 2.181 1.00 55.32 H new ATOM 0 HA THR A2068 7.738 -12.805 2.739 1.00 33.10 H new ATOM 0 HB THR A2068 8.889 -15.445 1.770 1.00 25.42 H new ATOM 0 HG1 THR A2068 7.795 -15.319 3.905 1.00 1.33 H new ATOM 0 HG21 THR A2068 11.024 -14.670 2.735 1.00 2.33 H new ATOM 0 HG22 THR A2068 10.515 -13.591 1.414 1.00 2.33 H new ATOM 0 HG23 THR A2068 10.295 -13.089 3.107 1.00 2.33 H new ATOM 918 N SER A2069 7.583 -13.518 -0.399 1.00 70.21 N ATOM 919 CA SER A2069 7.781 -12.972 -1.731 1.00 43.20 C ATOM 920 C SER A2069 6.935 -11.710 -1.913 1.00 34.45 C ATOM 921 O SER A2069 7.368 -10.756 -2.556 1.00 2.13 O ATOM 922 CB SER A2069 7.431 -14.004 -2.806 1.00 22.12 C ATOM 923 OG SER A2069 8.586 -14.455 -3.510 1.00 33.11 O ATOM 0 H SER A2069 7.040 -14.381 -0.368 1.00 70.21 H new ATOM 0 HA SER A2069 8.834 -12.714 -1.841 1.00 43.20 H new ATOM 0 HB2 SER A2069 6.933 -14.856 -2.342 1.00 22.12 H new ATOM 0 HB3 SER A2069 6.724 -13.567 -3.511 1.00 22.12 H new ATOM 0 HG SER A2069 8.321 -15.113 -4.186 1.00 33.11 H new ATOM 929 N PHE A2070 5.745 -11.747 -1.332 1.00 33.13 N ATOM 930 CA PHE A2070 4.834 -10.618 -1.419 1.00 11.24 C ATOM 931 C PHE A2070 5.409 -9.393 -0.707 1.00 20.33 C ATOM 932 O PHE A2070 5.451 -8.302 -1.274 1.00 4.11 O ATOM 933 CB PHE A2070 3.537 -11.035 -0.724 1.00 74.25 C ATOM 934 CG PHE A2070 2.464 -9.945 -0.702 1.00 44.42 C ATOM 935 CD1 PHE A2070 2.609 -8.865 0.112 1.00 63.32 C ATOM 936 CD2 PHE A2070 1.366 -10.053 -1.498 1.00 5.03 C ATOM 937 CE1 PHE A2070 1.613 -7.852 0.133 1.00 22.31 C ATOM 938 CE2 PHE A2070 0.371 -9.040 -1.477 1.00 30.23 C ATOM 939 CZ PHE A2070 0.516 -7.961 -0.663 1.00 42.34 C ATOM 0 H PHE A2070 5.390 -12.541 -0.799 1.00 33.13 H new ATOM 0 HA PHE A2070 4.669 -10.353 -2.463 1.00 11.24 H new ATOM 0 HB2 PHE A2070 3.135 -11.916 -1.225 1.00 74.25 H new ATOM 0 HB3 PHE A2070 3.764 -11.328 0.301 1.00 74.25 H new ATOM 0 HD1 PHE A2070 3.481 -8.777 0.743 1.00 63.32 H new ATOM 0 HD2 PHE A2070 1.251 -10.909 -2.146 1.00 5.03 H new ATOM 0 HE1 PHE A2070 1.727 -6.996 0.781 1.00 22.31 H new ATOM 0 HE2 PHE A2070 -0.501 -9.127 -2.108 1.00 30.23 H new ATOM 0 HZ PHE A2070 -0.240 -7.190 -0.649 1.00 42.34 H new ATOM 949 N ASN A2071 5.838 -9.613 0.528 1.00 41.42 N ATOM 950 CA ASN A2071 6.410 -8.540 1.324 1.00 34.42 C ATOM 951 C ASN A2071 7.713 -8.069 0.678 1.00 41.34 C ATOM 952 O ASN A2071 8.092 -6.906 0.811 1.00 22.03 O ATOM 953 CB ASN A2071 6.731 -9.019 2.741 1.00 72.11 C ATOM 954 CG ASN A2071 6.886 -7.834 3.697 1.00 50.31 C ATOM 955 OD1 ASN A2071 6.166 -6.850 3.633 1.00 24.43 O ATOM 956 ND2 ASN A2071 7.864 -7.980 4.587 1.00 23.21 N ATOM 0 H ASN A2071 5.801 -10.518 0.996 1.00 41.42 H new ATOM 0 HA ASN A2071 5.682 -7.730 1.372 1.00 34.42 H new ATOM 0 HB2 ASN A2071 5.937 -9.676 3.096 1.00 72.11 H new ATOM 0 HB3 ASN A2071 7.649 -9.606 2.731 1.00 72.11 H new ATOM 0 HD21 ASN A2071 8.047 -7.244 5.269 1.00 23.21 H new ATOM 0 HD22 ASN A2071 8.431 -8.828 4.588 1.00 23.21 H new ATOM 963 N GLN A2072 8.364 -8.995 -0.010 1.00 5.12 N ATOM 964 CA GLN A2072 9.619 -8.690 -0.678 1.00 61.23 C ATOM 965 C GLN A2072 9.354 -7.942 -1.986 1.00 24.32 C ATOM 966 O GLN A2072 9.898 -6.861 -2.209 1.00 51.50 O ATOM 967 CB GLN A2072 10.430 -9.962 -0.929 1.00 43.03 C ATOM 968 CG GLN A2072 11.462 -10.181 0.180 1.00 31.25 C ATOM 969 CD GLN A2072 12.372 -11.368 -0.144 1.00 31.23 C ATOM 970 OE1 GLN A2072 11.965 -12.518 -0.130 1.00 24.22 O ATOM 971 NE2 GLN A2072 13.623 -11.025 -0.438 1.00 42.00 N ATOM 0 H GLN A2072 8.046 -9.958 -0.120 1.00 5.12 H new ATOM 0 HA GLN A2072 10.209 -8.046 -0.026 1.00 61.23 H new ATOM 0 HB2 GLN A2072 9.760 -10.820 -0.982 1.00 43.03 H new ATOM 0 HB3 GLN A2072 10.935 -9.892 -1.892 1.00 43.03 H new ATOM 0 HG2 GLN A2072 12.063 -9.281 0.305 1.00 31.25 H new ATOM 0 HG3 GLN A2072 10.952 -10.357 1.127 1.00 31.25 H new ATOM 0 HE21 GLN A2072 13.897 -10.043 -0.431 1.00 42.00 H new ATOM 0 HE22 GLN A2072 14.308 -11.744 -0.670 1.00 42.00 H new ATOM 980 N ALA A2073 8.516 -8.544 -2.817 1.00 21.24 N ATOM 981 CA ALA A2073 8.172 -7.949 -4.098 1.00 52.32 C ATOM 982 C ALA A2073 7.927 -6.451 -3.907 1.00 55.24 C ATOM 983 O ALA A2073 8.465 -5.631 -4.650 1.00 3.22 O ATOM 984 CB ALA A2073 6.957 -8.669 -4.685 1.00 73.51 C ATOM 0 H ALA A2073 8.064 -9.439 -2.628 1.00 21.24 H new ATOM 0 HA ALA A2073 8.991 -8.062 -4.808 1.00 52.32 H new ATOM 0 HB1 ALA A2073 6.699 -8.223 -5.646 1.00 73.51 H new ATOM 0 HB2 ALA A2073 7.192 -9.724 -4.826 1.00 73.51 H new ATOM 0 HB3 ALA A2073 6.113 -8.574 -4.002 1.00 73.51 H new ATOM 990 N TYR A2074 7.114 -6.139 -2.908 1.00 55.54 N ATOM 991 CA TYR A2074 6.792 -4.753 -2.611 1.00 24.31 C ATOM 992 C TYR A2074 7.721 -4.191 -1.535 1.00 23.34 C ATOM 993 O TYR A2074 7.802 -2.977 -1.350 1.00 1.10 O ATOM 994 CB TYR A2074 5.357 -4.759 -2.079 1.00 12.45 C ATOM 995 CG TYR A2074 4.364 -5.502 -2.974 1.00 74.52 C ATOM 996 CD1 TYR A2074 4.363 -5.282 -4.336 1.00 72.42 C ATOM 997 CD2 TYR A2074 3.466 -6.393 -2.419 1.00 54.43 C ATOM 998 CE1 TYR A2074 3.428 -5.980 -5.178 1.00 13.11 C ATOM 999 CE2 TYR A2074 2.531 -7.092 -3.260 1.00 61.53 C ATOM 1000 CZ TYR A2074 2.557 -6.851 -4.599 1.00 43.20 C ATOM 1001 OH TYR A2074 1.675 -7.513 -5.395 1.00 74.43 O ATOM 0 H TYR A2074 6.669 -6.822 -2.294 1.00 55.54 H new ATOM 0 HA TYR A2074 6.906 -4.134 -3.501 1.00 24.31 H new ATOM 0 HB2 TYR A2074 5.350 -5.215 -1.089 1.00 12.45 H new ATOM 0 HB3 TYR A2074 5.021 -3.729 -1.958 1.00 12.45 H new ATOM 0 HD1 TYR A2074 5.065 -4.585 -4.771 1.00 72.42 H new ATOM 0 HD2 TYR A2074 3.466 -6.565 -1.353 1.00 54.43 H new ATOM 0 HE1 TYR A2074 3.418 -5.816 -6.245 1.00 13.11 H new ATOM 0 HE2 TYR A2074 1.825 -7.792 -2.838 1.00 61.53 H new ATOM 0 HH TYR A2074 1.287 -8.264 -4.899 1.00 74.43 H new ATOM 1011 N GLY A2075 8.399 -5.101 -0.852 1.00 74.41 N ATOM 1012 CA GLY A2075 9.320 -4.712 0.203 1.00 53.33 C ATOM 1013 C GLY A2075 10.071 -3.431 -0.170 1.00 30.24 C ATOM 1014 O GLY A2075 10.132 -2.492 0.622 1.00 51.21 O ATOM 0 H GLY A2075 8.329 -6.107 -1.008 1.00 74.41 H new ATOM 0 HA2 GLY A2075 8.771 -4.559 1.132 1.00 53.33 H new ATOM 0 HA3 GLY A2075 10.033 -5.517 0.383 1.00 53.33 H new ATOM 1018 N ARG A2076 10.623 -3.437 -1.374 1.00 14.23 N ATOM 1019 CA ARG A2076 11.367 -2.287 -1.861 1.00 14.12 C ATOM 1020 C ARG A2076 10.407 -1.166 -2.264 1.00 4.44 C ATOM 1021 O ARG A2076 10.598 -0.013 -1.879 1.00 23.23 O ATOM 1022 CB ARG A2076 12.236 -2.663 -3.063 1.00 54.52 C ATOM 1023 CG ARG A2076 12.991 -1.443 -3.595 1.00 2.23 C ATOM 1024 CD ARG A2076 13.928 -0.870 -2.530 1.00 60.41 C ATOM 1025 NE ARG A2076 15.328 -0.928 -3.004 1.00 23.45 N ATOM 1026 CZ ARG A2076 16.145 -1.990 -2.825 1.00 34.54 C ATOM 1027 NH1 ARG A2076 15.703 -3.092 -2.183 1.00 54.20 N ATOM 1028 NH2 ARG A2076 17.378 -1.933 -3.289 1.00 30.13 N ATOM 0 H ARG A2076 10.570 -4.219 -2.027 1.00 14.23 H new ATOM 0 HA ARG A2076 12.013 -1.943 -1.053 1.00 14.12 H new ATOM 0 HB2 ARG A2076 12.946 -3.438 -2.775 1.00 54.52 H new ATOM 0 HB3 ARG A2076 11.611 -3.081 -3.852 1.00 54.52 H new ATOM 0 HG2 ARG A2076 13.566 -1.723 -4.477 1.00 2.23 H new ATOM 0 HG3 ARG A2076 12.280 -0.679 -3.908 1.00 2.23 H new ATOM 0 HD2 ARG A2076 13.653 0.161 -2.308 1.00 60.41 H new ATOM 0 HD3 ARG A2076 13.826 -1.433 -1.603 1.00 60.41 H new ATOM 0 HE ARG A2076 15.700 -0.116 -3.497 1.00 23.45 H new ATOM 0 HH11 ARG A2076 14.747 -3.127 -1.829 1.00 54.20 H new ATOM 0 HH12 ARG A2076 16.325 -3.890 -2.052 1.00 54.20 H new ATOM 0 HH21 ARG A2076 17.702 -1.096 -3.774 1.00 30.13 H new ATOM 0 HH22 ARG A2076 18.008 -2.725 -3.163 1.00 30.13 H new ATOM 1040 N ASP A2077 9.397 -1.544 -3.033 1.00 0.25 N ATOM 1041 CA ASP A2077 8.406 -0.586 -3.493 1.00 43.42 C ATOM 1042 C ASP A2077 7.868 0.199 -2.295 1.00 32.03 C ATOM 1043 O ASP A2077 7.970 1.425 -2.254 1.00 14.43 O ATOM 1044 CB ASP A2077 7.228 -1.290 -4.166 1.00 55.41 C ATOM 1045 CG ASP A2077 7.564 -2.009 -5.472 1.00 43.31 C ATOM 1046 OD1 ASP A2077 7.927 -3.195 -5.473 1.00 1.41 O ATOM 1047 OD2 ASP A2077 7.439 -1.294 -6.538 1.00 42.04 O ATOM 0 H ASP A2077 9.243 -2.501 -3.349 1.00 0.25 H new ATOM 0 HA ASP A2077 8.887 0.076 -4.213 1.00 43.42 H new ATOM 0 HB2 ASP A2077 6.810 -2.015 -3.467 1.00 55.41 H new ATOM 0 HB3 ASP A2077 6.450 -0.553 -4.365 1.00 55.41 H new ATOM 1053 N LEU A2078 7.308 -0.539 -1.349 1.00 71.31 N ATOM 1054 CA LEU A2078 6.752 0.072 -0.153 1.00 21.22 C ATOM 1055 C LEU A2078 7.806 0.977 0.488 1.00 15.03 C ATOM 1056 O LEU A2078 7.495 2.084 0.929 1.00 64.21 O ATOM 1057 CB LEU A2078 6.206 -0.999 0.792 1.00 30.02 C ATOM 1058 CG LEU A2078 4.928 -1.706 0.336 1.00 20.04 C ATOM 1059 CD1 LEU A2078 4.471 -2.735 1.372 1.00 33.31 C ATOM 1060 CD2 LEU A2078 3.828 -0.696 0.008 1.00 74.33 C ATOM 0 H LEU A2078 7.227 -1.555 -1.386 1.00 71.31 H new ATOM 0 HA LEU A2078 5.901 0.703 -0.408 1.00 21.22 H new ATOM 0 HB2 LEU A2078 6.980 -1.751 0.943 1.00 30.02 H new ATOM 0 HB3 LEU A2078 6.017 -0.538 1.761 1.00 30.02 H new ATOM 0 HG LEU A2078 5.149 -2.250 -0.583 1.00 20.04 H new ATOM 0 HD11 LEU A2078 3.561 -3.223 1.023 1.00 33.31 H new ATOM 0 HD12 LEU A2078 5.252 -3.482 1.512 1.00 33.31 H new ATOM 0 HD13 LEU A2078 4.274 -2.234 2.320 1.00 33.31 H new ATOM 0 HD21 LEU A2078 2.931 -1.226 -0.313 1.00 74.33 H new ATOM 0 HD22 LEU A2078 3.601 -0.104 0.895 1.00 74.33 H new ATOM 0 HD23 LEU A2078 4.166 -0.037 -0.792 1.00 74.33 H new ATOM 1072 N MET A2079 9.030 0.475 0.520 1.00 0.54 N ATOM 1073 CA MET A2079 10.132 1.223 1.101 1.00 41.33 C ATOM 1074 C MET A2079 10.277 2.592 0.433 1.00 22.12 C ATOM 1075 O MET A2079 10.458 3.601 1.111 1.00 52.13 O ATOM 1076 CB MET A2079 11.432 0.434 0.932 1.00 14.11 C ATOM 1077 CG MET A2079 11.879 -0.178 2.260 1.00 53.11 C ATOM 1078 SD MET A2079 13.590 -0.674 2.159 1.00 23.15 S ATOM 1079 CE MET A2079 14.384 0.843 2.662 1.00 31.32 C ATOM 0 H MET A2079 9.284 -0.442 0.153 1.00 0.54 H new ATOM 0 HA MET A2079 9.924 1.375 2.160 1.00 41.33 H new ATOM 0 HB2 MET A2079 11.289 -0.355 0.194 1.00 14.11 H new ATOM 0 HB3 MET A2079 12.213 1.091 0.549 1.00 14.11 H new ATOM 0 HG2 MET A2079 11.748 0.545 3.065 1.00 53.11 H new ATOM 0 HG3 MET A2079 11.256 -1.039 2.501 1.00 53.11 H new ATOM 0 HE1 MET A2079 15.466 0.708 2.654 1.00 31.32 H new ATOM 0 HE2 MET A2079 14.113 1.642 1.971 1.00 31.32 H new ATOM 0 HE3 MET A2079 14.059 1.108 3.668 1.00 31.32 H new ATOM 1089 N GLU A2080 10.190 2.582 -0.889 1.00 0.14 N ATOM 1090 CA GLU A2080 10.309 3.811 -1.656 1.00 21.52 C ATOM 1091 C GLU A2080 9.123 4.734 -1.364 1.00 20.41 C ATOM 1092 O GLU A2080 9.310 5.875 -0.942 1.00 32.14 O ATOM 1093 CB GLU A2080 10.414 3.513 -3.154 1.00 13.11 C ATOM 1094 CG GLU A2080 10.518 4.809 -3.963 1.00 1.12 C ATOM 1095 CD GLU A2080 10.983 4.526 -5.393 1.00 2.43 C ATOM 1096 OE1 GLU A2080 10.348 4.984 -6.355 1.00 33.15 O ATOM 1097 OE2 GLU A2080 12.046 3.801 -5.487 1.00 45.42 O ATOM 0 H GLU A2080 10.039 1.743 -1.449 1.00 0.14 H new ATOM 0 HA GLU A2080 11.225 4.319 -1.354 1.00 21.52 H new ATOM 0 HB2 GLU A2080 11.288 2.890 -3.344 1.00 13.11 H new ATOM 0 HB3 GLU A2080 9.541 2.946 -3.478 1.00 13.11 H new ATOM 0 HG2 GLU A2080 9.549 5.308 -3.984 1.00 1.12 H new ATOM 0 HG3 GLU A2080 11.217 5.490 -3.477 1.00 1.12 H new ATOM 1105 N ALA A2081 7.930 4.207 -1.601 1.00 52.23 N ATOM 1106 CA ALA A2081 6.717 4.972 -1.369 1.00 11.52 C ATOM 1107 C ALA A2081 6.739 5.534 0.054 1.00 75.34 C ATOM 1108 O ALA A2081 6.363 6.685 0.274 1.00 14.14 O ATOM 1109 CB ALA A2081 5.498 4.083 -1.626 1.00 12.13 C ATOM 0 H ALA A2081 7.778 3.261 -1.951 1.00 52.23 H new ATOM 0 HA ALA A2081 6.657 5.816 -2.056 1.00 11.52 H new ATOM 0 HB1 ALA A2081 4.587 4.656 -1.452 1.00 12.13 H new ATOM 0 HB2 ALA A2081 5.515 3.732 -2.658 1.00 12.13 H new ATOM 0 HB3 ALA A2081 5.523 3.227 -0.951 1.00 12.13 H new ATOM 1115 N GLN A2082 7.180 4.698 0.981 1.00 14.30 N ATOM 1116 CA GLN A2082 7.255 5.098 2.375 1.00 72.44 C ATOM 1117 C GLN A2082 8.179 6.308 2.531 1.00 5.23 C ATOM 1118 O GLN A2082 7.861 7.248 3.258 1.00 52.11 O ATOM 1119 CB GLN A2082 7.720 3.936 3.255 1.00 15.41 C ATOM 1120 CG GLN A2082 7.727 4.335 4.733 1.00 42.02 C ATOM 1121 CD GLN A2082 6.594 3.645 5.493 1.00 3.52 C ATOM 1122 OE1 GLN A2082 6.165 2.552 5.161 1.00 60.32 O ATOM 1123 NE2 GLN A2082 6.135 4.341 6.529 1.00 74.11 N ATOM 0 H GLN A2082 7.489 3.744 0.794 1.00 14.30 H new ATOM 0 HA GLN A2082 6.256 5.383 2.705 1.00 72.44 H new ATOM 0 HB2 GLN A2082 7.062 3.079 3.109 1.00 15.41 H new ATOM 0 HB3 GLN A2082 8.720 3.625 2.954 1.00 15.41 H new ATOM 0 HG2 GLN A2082 8.685 4.069 5.181 1.00 42.02 H new ATOM 0 HG3 GLN A2082 7.623 5.416 4.822 1.00 42.02 H new ATOM 0 HE21 GLN A2082 6.539 5.250 6.752 1.00 74.11 H new ATOM 0 HE22 GLN A2082 5.379 3.965 7.101 1.00 74.11 H new ATOM 1132 N GLU A2083 9.307 6.245 1.838 1.00 72.34 N ATOM 1133 CA GLU A2083 10.280 7.323 1.890 1.00 12.33 C ATOM 1134 C GLU A2083 9.662 8.620 1.367 1.00 41.05 C ATOM 1135 O GLU A2083 9.960 9.703 1.873 1.00 3.41 O ATOM 1136 CB GLU A2083 11.542 6.961 1.105 1.00 61.41 C ATOM 1137 CG GLU A2083 11.814 7.984 0.000 1.00 33.22 C ATOM 1138 CD GLU A2083 12.976 7.538 -0.888 1.00 30.12 C ATOM 1139 OE1 GLU A2083 12.755 7.111 -2.030 1.00 11.44 O ATOM 1140 OE2 GLU A2083 14.144 7.648 -0.353 1.00 2.22 O ATOM 0 H GLU A2083 9.569 5.463 1.237 1.00 72.34 H new ATOM 0 HA GLU A2083 10.570 7.475 2.930 1.00 12.33 H new ATOM 0 HB2 GLU A2083 12.395 6.916 1.782 1.00 61.41 H new ATOM 0 HB3 GLU A2083 11.430 5.969 0.667 1.00 61.41 H new ATOM 0 HG2 GLU A2083 10.918 8.116 -0.607 1.00 33.22 H new ATOM 0 HG3 GLU A2083 12.043 8.952 0.445 1.00 33.22 H new ATOM 1148 N TRP A2084 8.813 8.472 0.361 1.00 0.43 N ATOM 1149 CA TRP A2084 8.151 9.619 -0.237 1.00 12.35 C ATOM 1150 C TRP A2084 7.133 10.155 0.773 1.00 3.51 C ATOM 1151 O TRP A2084 6.895 11.362 0.837 1.00 1.13 O ATOM 1152 CB TRP A2084 7.521 9.250 -1.581 1.00 0.42 C ATOM 1153 CG TRP A2084 8.538 8.942 -2.681 1.00 31.33 C ATOM 1154 CD1 TRP A2084 8.932 7.742 -3.129 1.00 1.40 C ATOM 1155 CD2 TRP A2084 9.280 9.905 -3.459 1.00 63.43 C ATOM 1156 NE1 TRP A2084 9.870 7.860 -4.135 1.00 44.01 N ATOM 1157 CE2 TRP A2084 10.087 9.218 -4.343 1.00 24.43 C ATOM 1158 CE3 TRP A2084 9.267 11.311 -3.421 1.00 0.44 C ATOM 1159 CZ2 TRP A2084 10.943 9.849 -5.252 1.00 72.14 C ATOM 1160 CZ3 TRP A2084 10.128 11.928 -4.335 1.00 60.44 C ATOM 1161 CH2 TRP A2084 10.947 11.250 -5.230 1.00 62.52 C ATOM 0 H TRP A2084 8.568 7.574 -0.056 1.00 0.43 H new ATOM 0 HA TRP A2084 8.870 10.407 -0.460 1.00 12.35 H new ATOM 0 HB2 TRP A2084 6.877 8.382 -1.442 1.00 0.42 H new ATOM 0 HB3 TRP A2084 6.883 10.071 -1.909 1.00 0.42 H new ATOM 0 HD1 TRP A2084 8.562 6.801 -2.750 1.00 1.40 H new ATOM 0 HE1 TRP A2084 10.321 7.093 -4.634 1.00 44.01 H new ATOM 0 HE3 TRP A2084 8.642 11.870 -2.740 1.00 0.44 H new ATOM 0 HZ2 TRP A2084 11.566 9.288 -5.933 1.00 72.14 H new ATOM 0 HZ3 TRP A2084 10.158 13.008 -4.346 1.00 60.44 H new ATOM 0 HH2 TRP A2084 11.584 11.801 -5.906 1.00 62.52 H new ATOM 1172 N CYS A2085 6.563 9.236 1.536 1.00 60.42 N ATOM 1173 CA CYS A2085 5.577 9.602 2.538 1.00 30.35 C ATOM 1174 C CYS A2085 6.243 10.538 3.550 1.00 43.31 C ATOM 1175 O CYS A2085 5.697 11.588 3.884 1.00 5.22 O ATOM 1176 CB CYS A2085 4.973 8.370 3.215 1.00 21.20 C ATOM 1177 SG CYS A2085 4.075 8.864 4.731 1.00 1.12 S ATOM 0 H CYS A2085 6.765 8.238 1.481 1.00 60.42 H new ATOM 0 HA CYS A2085 4.745 10.118 2.059 1.00 30.35 H new ATOM 0 HB2 CYS A2085 4.294 7.864 2.529 1.00 21.20 H new ATOM 0 HB3 CYS A2085 5.761 7.659 3.465 1.00 21.20 H new ATOM 0 HG CYS A2085 2.830 9.099 4.441 1.00 1.12 H new ATOM 1183 N ARG A2086 7.417 10.123 4.006 1.00 72.25 N ATOM 1184 CA ARG A2086 8.164 10.910 4.971 1.00 53.55 C ATOM 1185 C ARG A2086 8.528 12.273 4.376 1.00 14.11 C ATOM 1186 O ARG A2086 8.405 13.299 5.044 1.00 31.00 O ATOM 1187 CB ARG A2086 9.444 10.189 5.397 1.00 70.41 C ATOM 1188 CG ARG A2086 9.136 9.063 6.386 1.00 61.42 C ATOM 1189 CD ARG A2086 9.680 7.726 5.880 1.00 24.21 C ATOM 1190 NE ARG A2086 9.581 6.704 6.947 1.00 42.34 N ATOM 1191 CZ ARG A2086 10.142 5.479 6.874 1.00 2.31 C ATOM 1192 NH1 ARG A2086 10.850 5.113 5.786 1.00 65.51 N ATOM 1193 NH2 ARG A2086 9.990 4.644 7.886 1.00 23.44 N ATOM 0 H ARG A2086 7.868 9.252 3.725 1.00 72.25 H new ATOM 0 HA ARG A2086 7.531 11.049 5.847 1.00 53.55 H new ATOM 0 HB2 ARG A2086 9.945 9.780 4.519 1.00 70.41 H new ATOM 0 HB3 ARG A2086 10.132 10.901 5.854 1.00 70.41 H new ATOM 0 HG2 ARG A2086 9.576 9.295 7.356 1.00 61.42 H new ATOM 0 HG3 ARG A2086 8.059 8.989 6.534 1.00 61.42 H new ATOM 0 HD2 ARG A2086 9.119 7.404 5.003 1.00 24.21 H new ATOM 0 HD3 ARG A2086 10.719 7.840 5.569 1.00 24.21 H new ATOM 0 HE ARG A2086 9.056 6.941 7.789 1.00 42.34 H new ATOM 0 HH11 ARG A2086 10.965 5.764 5.010 1.00 65.51 H new ATOM 0 HH12 ARG A2086 11.271 4.185 5.740 1.00 65.51 H new ATOM 0 HH21 ARG A2086 9.455 4.929 8.706 1.00 23.44 H new ATOM 0 HH22 ARG A2086 10.407 3.714 7.847 1.00 23.44 H new ATOM 1205 N LYS A2087 8.968 12.238 3.128 1.00 42.24 N ATOM 1206 CA LYS A2087 9.351 13.458 2.435 1.00 32.21 C ATOM 1207 C LYS A2087 8.203 14.465 2.513 1.00 33.14 C ATOM 1208 O LYS A2087 8.425 15.647 2.771 1.00 53.04 O ATOM 1209 CB LYS A2087 9.798 13.144 1.005 1.00 40.40 C ATOM 1210 CG LYS A2087 11.127 12.387 1.000 1.00 13.42 C ATOM 1211 CD LYS A2087 11.420 11.806 -0.383 1.00 5.42 C ATOM 1212 CE LYS A2087 12.623 12.503 -1.027 1.00 23.12 C ATOM 1213 NZ LYS A2087 13.839 11.673 -0.887 1.00 51.00 N ATOM 0 H LYS A2087 9.068 11.385 2.578 1.00 42.24 H new ATOM 0 HA LYS A2087 10.212 13.918 2.920 1.00 32.21 H new ATOM 0 HB2 LYS A2087 9.035 12.549 0.504 1.00 40.40 H new ATOM 0 HB3 LYS A2087 9.901 14.071 0.441 1.00 40.40 H new ATOM 0 HG2 LYS A2087 11.933 13.058 1.295 1.00 13.42 H new ATOM 0 HG3 LYS A2087 11.095 11.584 1.737 1.00 13.42 H new ATOM 0 HD2 LYS A2087 11.617 10.737 -0.298 1.00 5.42 H new ATOM 0 HD3 LYS A2087 10.544 11.919 -1.022 1.00 5.42 H new ATOM 0 HE2 LYS A2087 12.421 12.688 -2.082 1.00 23.12 H new ATOM 0 HE3 LYS A2087 12.782 13.474 -0.558 1.00 23.12 H new ATOM 0 HZ1 LYS A2087 14.645 12.160 -1.329 1.00 51.00 H new ATOM 0 HZ2 LYS A2087 14.039 11.518 0.122 1.00 51.00 H new ATOM 0 HZ3 LYS A2087 13.690 10.757 -1.355 1.00 51.00 H new ATOM 1226 N TYR A2088 6.999 13.961 2.288 1.00 22.13 N ATOM 1227 CA TYR A2088 5.814 14.802 2.329 1.00 42.53 C ATOM 1228 C TYR A2088 5.470 15.194 3.768 1.00 22.53 C ATOM 1229 O TYR A2088 5.314 16.374 4.073 1.00 53.00 O ATOM 1230 CB TYR A2088 4.676 13.956 1.757 1.00 21.32 C ATOM 1231 CG TYR A2088 3.279 14.491 2.081 1.00 54.42 C ATOM 1232 CD1 TYR A2088 2.695 14.200 3.297 1.00 22.43 C ATOM 1233 CD2 TYR A2088 2.606 15.265 1.158 1.00 23.51 C ATOM 1234 CE1 TYR A2088 1.380 14.703 3.601 1.00 33.41 C ATOM 1235 CE2 TYR A2088 1.291 15.769 1.464 1.00 45.33 C ATOM 1236 CZ TYR A2088 0.742 15.463 2.670 1.00 43.24 C ATOM 1237 OH TYR A2088 -0.499 15.939 2.958 1.00 2.23 O ATOM 0 H TYR A2088 6.818 12.980 2.076 1.00 22.13 H new ATOM 0 HA TYR A2088 5.975 15.721 1.765 1.00 42.53 H new ATOM 0 HB2 TYR A2088 4.789 13.897 0.674 1.00 21.32 H new ATOM 0 HB3 TYR A2088 4.763 12.940 2.142 1.00 21.32 H new ATOM 0 HD1 TYR A2088 3.223 13.596 4.020 1.00 22.43 H new ATOM 0 HD2 TYR A2088 3.064 15.493 0.207 1.00 23.51 H new ATOM 0 HE1 TYR A2088 0.910 14.482 4.548 1.00 33.41 H new ATOM 0 HE2 TYR A2088 0.753 16.376 0.751 1.00 45.33 H new ATOM 0 HH TYR A2088 -0.831 16.466 2.201 1.00 2.23 H new ATOM 1247 N MET A2089 5.361 14.179 4.613 1.00 3.02 N ATOM 1248 CA MET A2089 5.039 14.402 6.013 1.00 44.41 C ATOM 1249 C MET A2089 5.890 15.530 6.599 1.00 70.43 C ATOM 1250 O MET A2089 5.456 16.229 7.513 1.00 21.15 O ATOM 1251 CB MET A2089 5.282 13.115 6.804 1.00 41.04 C ATOM 1252 CG MET A2089 4.218 12.063 6.482 1.00 74.22 C ATOM 1253 SD MET A2089 3.670 11.269 7.982 1.00 31.13 S ATOM 1254 CE MET A2089 1.904 11.302 7.723 1.00 33.24 C ATOM 0 H MET A2089 5.490 13.200 4.355 1.00 3.02 H new ATOM 0 HA MET A2089 3.990 14.690 6.084 1.00 44.41 H new ATOM 0 HB2 MET A2089 6.271 12.721 6.569 1.00 41.04 H new ATOM 0 HB3 MET A2089 5.271 13.333 7.872 1.00 41.04 H new ATOM 0 HG2 MET A2089 3.372 12.532 5.979 1.00 74.22 H new ATOM 0 HG3 MET A2089 4.625 11.320 5.796 1.00 74.22 H new ATOM 0 HE1 MET A2089 1.421 11.790 8.570 1.00 33.24 H new ATOM 0 HE2 MET A2089 1.680 11.854 6.810 1.00 33.24 H new ATOM 0 HE3 MET A2089 1.531 10.282 7.630 1.00 33.24 H new ATOM 1264 N LYS A2090 7.087 15.674 6.048 1.00 31.12 N ATOM 1265 CA LYS A2090 8.002 16.705 6.505 1.00 61.22 C ATOM 1266 C LYS A2090 7.293 18.061 6.473 1.00 31.03 C ATOM 1267 O LYS A2090 7.218 18.750 7.489 1.00 61.14 O ATOM 1268 CB LYS A2090 9.297 16.670 5.690 1.00 44.33 C ATOM 1269 CG LYS A2090 10.488 17.127 6.536 1.00 23.14 C ATOM 1270 CD LYS A2090 10.585 18.653 6.568 1.00 33.10 C ATOM 1271 CE LYS A2090 10.762 19.161 8.001 1.00 14.11 C ATOM 1272 NZ LYS A2090 12.171 19.542 8.245 1.00 12.35 N ATOM 0 H LYS A2090 7.444 15.093 5.289 1.00 31.12 H new ATOM 0 HA LYS A2090 8.296 16.523 7.539 1.00 61.22 H new ATOM 0 HB2 LYS A2090 9.473 15.659 5.323 1.00 44.33 H new ATOM 0 HB3 LYS A2090 9.199 17.314 4.816 1.00 44.33 H new ATOM 0 HG2 LYS A2090 10.385 16.744 7.551 1.00 23.14 H new ATOM 0 HG3 LYS A2090 11.409 16.709 6.129 1.00 23.14 H new ATOM 0 HD2 LYS A2090 11.425 18.981 5.956 1.00 33.10 H new ATOM 0 HD3 LYS A2090 9.685 19.087 6.133 1.00 33.10 H new ATOM 0 HE2 LYS A2090 10.112 20.019 8.172 1.00 14.11 H new ATOM 0 HE3 LYS A2090 10.461 18.387 8.707 1.00 14.11 H new ATOM 0 HZ1 LYS A2090 12.274 19.884 9.222 1.00 12.35 H new ATOM 0 HZ2 LYS A2090 12.784 18.714 8.102 1.00 12.35 H new ATOM 0 HZ3 LYS A2090 12.446 20.295 7.583 1.00 12.35 H new ATOM 1285 N SER A2091 6.789 18.402 5.297 1.00 63.32 N ATOM 1286 CA SER A2091 6.089 19.663 5.119 1.00 63.33 C ATOM 1287 C SER A2091 5.222 19.608 3.859 1.00 22.15 C ATOM 1288 O SER A2091 5.353 20.453 2.974 1.00 63.43 O ATOM 1289 CB SER A2091 7.071 20.833 5.037 1.00 3.40 C ATOM 1290 OG SER A2091 7.247 21.472 6.298 1.00 43.21 O ATOM 0 H SER A2091 6.851 17.827 4.457 1.00 63.32 H new ATOM 0 HA SER A2091 5.448 19.823 5.986 1.00 63.33 H new ATOM 0 HB2 SER A2091 8.034 20.473 4.676 1.00 3.40 H new ATOM 0 HB3 SER A2091 6.709 21.560 4.310 1.00 3.40 H new ATOM 0 HG SER A2091 7.299 20.794 7.004 1.00 43.21 H new ATOM 1296 N GLY A2092 4.357 18.606 3.817 1.00 3.32 N ATOM 1297 CA GLY A2092 3.469 18.430 2.681 1.00 4.14 C ATOM 1298 C GLY A2092 4.260 18.349 1.374 1.00 45.53 C ATOM 1299 O GLY A2092 5.429 18.731 1.328 1.00 73.03 O ATOM 0 H GLY A2092 4.252 17.907 4.552 1.00 3.32 H new ATOM 0 HA2 GLY A2092 2.881 17.521 2.812 1.00 4.14 H new ATOM 0 HA3 GLY A2092 2.765 19.261 2.633 1.00 4.14 H new ATOM 1303 N ASN A2093 3.593 17.850 0.343 1.00 33.04 N ATOM 1304 CA ASN A2093 4.221 17.715 -0.958 1.00 64.43 C ATOM 1305 C ASN A2093 3.412 16.733 -1.811 1.00 74.41 C ATOM 1306 O ASN A2093 3.762 15.559 -1.912 1.00 12.42 O ATOM 1307 CB ASN A2093 5.644 17.170 -0.833 1.00 22.50 C ATOM 1308 CG ASN A2093 6.671 18.201 -1.302 1.00 32.41 C ATOM 1309 OD1 ASN A2093 6.409 19.033 -2.154 1.00 61.11 O ATOM 1310 ND2 ASN A2093 7.853 18.102 -0.700 1.00 20.35 N ATOM 0 H ASN A2093 2.624 17.535 0.384 1.00 33.04 H new ATOM 0 HA ASN A2093 4.254 18.703 -1.418 1.00 64.43 H new ATOM 0 HB2 ASN A2093 5.843 16.899 0.204 1.00 22.50 H new ATOM 0 HB3 ASN A2093 5.741 16.260 -1.425 1.00 22.50 H new ATOM 0 HD21 ASN A2093 8.605 18.746 -0.944 1.00 20.35 H new ATOM 0 HD22 ASN A2093 8.007 17.382 0.006 1.00 20.35 H new ATOM 1317 N VAL A2094 2.344 17.252 -2.401 1.00 33.25 N ATOM 1318 CA VAL A2094 1.482 16.436 -3.239 1.00 12.02 C ATOM 1319 C VAL A2094 2.341 15.655 -4.235 1.00 60.41 C ATOM 1320 O VAL A2094 2.030 14.510 -4.564 1.00 62.44 O ATOM 1321 CB VAL A2094 0.428 17.312 -3.916 1.00 53.20 C ATOM 1322 CG1 VAL A2094 -0.065 16.672 -5.214 1.00 63.51 C ATOM 1323 CG2 VAL A2094 -0.738 17.600 -2.968 1.00 23.45 C ATOM 0 H VAL A2094 2.057 18.227 -2.315 1.00 33.25 H new ATOM 0 HA VAL A2094 0.939 15.708 -2.636 1.00 12.02 H new ATOM 0 HB VAL A2094 0.896 18.264 -4.169 1.00 53.20 H new ATOM 0 HG11 VAL A2094 -0.814 17.316 -5.675 1.00 63.51 H new ATOM 0 HG12 VAL A2094 0.774 16.544 -5.898 1.00 63.51 H new ATOM 0 HG13 VAL A2094 -0.507 15.700 -4.995 1.00 63.51 H new ATOM 0 HG21 VAL A2094 -1.473 18.225 -3.475 1.00 23.45 H new ATOM 0 HG22 VAL A2094 -1.204 16.661 -2.669 1.00 23.45 H new ATOM 0 HG23 VAL A2094 -0.368 18.119 -2.084 1.00 23.45 H new ATOM 1333 N LYS A2095 3.403 16.303 -4.691 1.00 70.01 N ATOM 1334 CA LYS A2095 4.307 15.685 -5.644 1.00 11.44 C ATOM 1335 C LYS A2095 4.775 14.336 -5.095 1.00 31.22 C ATOM 1336 O LYS A2095 4.698 13.321 -5.784 1.00 23.13 O ATOM 1337 CB LYS A2095 5.452 16.637 -5.992 1.00 25.11 C ATOM 1338 CG LYS A2095 6.136 16.220 -7.296 1.00 51.43 C ATOM 1339 CD LYS A2095 7.591 16.689 -7.327 1.00 11.23 C ATOM 1340 CE LYS A2095 8.144 16.668 -8.754 1.00 15.45 C ATOM 1341 NZ LYS A2095 8.888 17.916 -9.038 1.00 4.33 N ATOM 0 H LYS A2095 3.657 17.252 -4.417 1.00 70.01 H new ATOM 0 HA LYS A2095 3.792 15.486 -6.584 1.00 11.44 H new ATOM 0 HB2 LYS A2095 5.069 17.653 -6.087 1.00 25.11 H new ATOM 0 HB3 LYS A2095 6.181 16.646 -5.182 1.00 25.11 H new ATOM 0 HG2 LYS A2095 6.098 15.136 -7.400 1.00 51.43 H new ATOM 0 HG3 LYS A2095 5.596 16.641 -8.144 1.00 51.43 H new ATOM 0 HD2 LYS A2095 7.660 17.698 -6.921 1.00 11.23 H new ATOM 0 HD3 LYS A2095 8.198 16.047 -6.689 1.00 11.23 H new ATOM 0 HE2 LYS A2095 8.801 15.808 -8.883 1.00 15.45 H new ATOM 0 HE3 LYS A2095 7.326 16.555 -9.466 1.00 15.45 H new ATOM 0 HZ1 LYS A2095 9.257 17.887 -10.010 1.00 4.33 H new ATOM 0 HZ2 LYS A2095 8.251 18.731 -8.934 1.00 4.33 H new ATOM 0 HZ3 LYS A2095 9.680 18.008 -8.370 1.00 4.33 H new ATOM 1354 N ASP A2096 5.250 14.369 -3.857 1.00 23.52 N ATOM 1355 CA ASP A2096 5.730 13.162 -3.208 1.00 32.04 C ATOM 1356 C ASP A2096 4.544 12.245 -2.906 1.00 31.12 C ATOM 1357 O ASP A2096 4.641 11.027 -3.059 1.00 22.04 O ATOM 1358 CB ASP A2096 6.422 13.488 -1.883 1.00 51.41 C ATOM 1359 CG ASP A2096 7.670 14.364 -2.005 1.00 43.20 C ATOM 1360 OD1 ASP A2096 7.600 15.516 -2.455 1.00 42.42 O ATOM 1361 OD2 ASP A2096 8.767 13.810 -1.610 1.00 21.32 O ATOM 0 H ASP A2096 5.312 15.213 -3.288 1.00 23.52 H new ATOM 0 HA ASP A2096 6.441 12.679 -3.878 1.00 32.04 H new ATOM 0 HB2 ASP A2096 5.707 13.989 -1.230 1.00 51.41 H new ATOM 0 HB3 ASP A2096 6.699 12.553 -1.395 1.00 51.41 H new ATOM 1367 N LEU A2097 3.448 12.863 -2.485 1.00 4.14 N ATOM 1368 CA LEU A2097 2.245 12.115 -2.161 1.00 14.42 C ATOM 1369 C LEU A2097 1.784 11.341 -3.396 1.00 23.24 C ATOM 1370 O LEU A2097 1.498 10.146 -3.314 1.00 11.21 O ATOM 1371 CB LEU A2097 1.177 13.046 -1.584 1.00 1.43 C ATOM 1372 CG LEU A2097 0.581 12.629 -0.238 1.00 34.41 C ATOM 1373 CD1 LEU A2097 -0.562 13.561 0.169 1.00 22.32 C ATOM 1374 CD2 LEU A2097 0.144 11.163 -0.261 1.00 43.41 C ATOM 0 H LEU A2097 3.369 13.872 -2.361 1.00 4.14 H new ATOM 0 HA LEU A2097 2.450 11.380 -1.382 1.00 14.42 H new ATOM 0 HB2 LEU A2097 1.610 14.040 -1.475 1.00 1.43 H new ATOM 0 HB3 LEU A2097 0.366 13.129 -2.308 1.00 1.43 H new ATOM 0 HG LEU A2097 1.358 12.721 0.521 1.00 34.41 H new ATOM 0 HD11 LEU A2097 -0.967 13.242 1.129 1.00 22.32 H new ATOM 0 HD12 LEU A2097 -0.187 14.581 0.254 1.00 22.32 H new ATOM 0 HD13 LEU A2097 -1.347 13.525 -0.586 1.00 22.32 H new ATOM 0 HD21 LEU A2097 -0.276 10.893 0.708 1.00 43.41 H new ATOM 0 HD22 LEU A2097 -0.610 11.020 -1.035 1.00 43.41 H new ATOM 0 HD23 LEU A2097 1.006 10.530 -0.472 1.00 43.41 H new ATOM 1386 N THR A2098 1.725 12.051 -4.514 1.00 14.52 N ATOM 1387 CA THR A2098 1.301 11.445 -5.764 1.00 2.50 C ATOM 1388 C THR A2098 2.249 10.306 -6.152 1.00 73.53 C ATOM 1389 O THR A2098 1.803 9.246 -6.591 1.00 11.42 O ATOM 1390 CB THR A2098 1.215 12.548 -6.820 1.00 74.35 C ATOM 1391 OG1 THR A2098 0.005 13.233 -6.508 1.00 32.21 O ATOM 1392 CG2 THR A2098 0.981 11.997 -8.228 1.00 22.11 C ATOM 0 H THR A2098 1.964 13.040 -4.579 1.00 14.52 H new ATOM 0 HA THR A2098 0.315 10.990 -5.668 1.00 2.50 H new ATOM 0 HB THR A2098 2.135 13.132 -6.809 1.00 74.35 H new ATOM 0 HG1 THR A2098 -0.129 13.967 -7.144 1.00 32.21 H new ATOM 0 HG21 THR A2098 0.928 12.823 -8.938 1.00 22.11 H new ATOM 0 HG22 THR A2098 1.803 11.336 -8.501 1.00 22.11 H new ATOM 0 HG23 THR A2098 0.045 11.440 -8.250 1.00 22.11 H new ATOM 1400 N GLN A2099 3.536 10.564 -5.976 1.00 45.33 N ATOM 1401 CA GLN A2099 4.548 9.575 -6.302 1.00 63.01 C ATOM 1402 C GLN A2099 4.393 8.343 -5.409 1.00 33.34 C ATOM 1403 O GLN A2099 4.434 7.212 -5.891 1.00 63.31 O ATOM 1404 CB GLN A2099 5.954 10.168 -6.180 1.00 14.13 C ATOM 1405 CG GLN A2099 6.770 9.909 -7.448 1.00 2.24 C ATOM 1406 CD GLN A2099 7.615 11.130 -7.815 1.00 4.53 C ATOM 1407 OE1 GLN A2099 8.815 11.177 -7.595 1.00 3.13 O ATOM 1408 NE2 GLN A2099 6.925 12.115 -8.383 1.00 43.43 N ATOM 0 H GLN A2099 3.901 11.444 -5.612 1.00 45.33 H new ATOM 0 HA GLN A2099 4.408 9.268 -7.338 1.00 63.01 H new ATOM 0 HB2 GLN A2099 5.886 11.241 -6.000 1.00 14.13 H new ATOM 0 HB3 GLN A2099 6.463 9.732 -5.320 1.00 14.13 H new ATOM 0 HG2 GLN A2099 7.418 9.046 -7.298 1.00 2.24 H new ATOM 0 HG3 GLN A2099 6.100 9.665 -8.272 1.00 2.24 H new ATOM 0 HE21 GLN A2099 5.922 12.011 -8.539 1.00 43.43 H new ATOM 0 HE22 GLN A2099 7.399 12.974 -8.663 1.00 43.43 H new ATOM 1417 N ALA A2100 4.219 8.602 -4.121 1.00 72.54 N ATOM 1418 CA ALA A2100 4.056 7.528 -3.156 1.00 40.53 C ATOM 1419 C ALA A2100 2.767 6.765 -3.461 1.00 10.32 C ATOM 1420 O ALA A2100 2.769 5.538 -3.527 1.00 3.44 O ATOM 1421 CB ALA A2100 4.072 8.108 -1.740 1.00 25.42 C ATOM 0 H ALA A2100 4.187 9.541 -3.723 1.00 72.54 H new ATOM 0 HA ALA A2100 4.881 6.819 -3.227 1.00 40.53 H new ATOM 0 HB1 ALA A2100 3.950 7.303 -1.016 1.00 25.42 H new ATOM 0 HB2 ALA A2100 5.022 8.613 -1.564 1.00 25.42 H new ATOM 0 HB3 ALA A2100 3.256 8.822 -1.630 1.00 25.42 H new ATOM 1427 N TRP A2101 1.696 7.523 -3.637 1.00 43.03 N ATOM 1428 CA TRP A2101 0.401 6.933 -3.933 1.00 31.52 C ATOM 1429 C TRP A2101 0.550 6.071 -5.187 1.00 42.11 C ATOM 1430 O TRP A2101 -0.066 5.013 -5.295 1.00 24.55 O ATOM 1431 CB TRP A2101 -0.674 8.013 -4.073 1.00 53.14 C ATOM 1432 CG TRP A2101 -1.690 8.030 -2.931 1.00 75.55 C ATOM 1433 CD1 TRP A2101 -1.809 8.928 -1.944 1.00 13.52 C ATOM 1434 CD2 TRP A2101 -2.738 7.064 -2.695 1.00 72.14 C ATOM 1435 NE1 TRP A2101 -2.848 8.614 -1.093 1.00 73.41 N ATOM 1436 CE2 TRP A2101 -3.431 7.444 -1.563 1.00 65.24 C ATOM 1437 CE3 TRP A2101 -3.085 5.907 -3.415 1.00 15.43 C ATOM 1438 CZ2 TRP A2101 -4.516 6.722 -1.051 1.00 60.24 C ATOM 1439 CZ3 TRP A2101 -4.171 5.196 -2.889 1.00 64.44 C ATOM 1440 CH2 TRP A2101 -4.881 5.566 -1.752 1.00 70.31 C ATOM 0 H TRP A2101 1.698 8.541 -3.580 1.00 43.03 H new ATOM 0 HA TRP A2101 0.069 6.298 -3.112 1.00 31.52 H new ATOM 0 HB2 TRP A2101 -0.190 8.988 -4.130 1.00 53.14 H new ATOM 0 HB3 TRP A2101 -1.203 7.865 -5.014 1.00 53.14 H new ATOM 0 HD1 TRP A2101 -1.170 9.791 -1.829 1.00 13.52 H new ATOM 0 HE1 TRP A2101 -3.135 9.143 -0.270 1.00 73.41 H new ATOM 0 HE3 TRP A2101 -2.556 5.592 -4.303 1.00 15.43 H new ATOM 0 HZ2 TRP A2101 -5.043 7.040 -0.163 1.00 60.24 H new ATOM 0 HZ3 TRP A2101 -4.479 4.297 -3.403 1.00 64.44 H new ATOM 0 HH2 TRP A2101 -5.710 4.964 -1.411 1.00 70.31 H new ATOM 1451 N ASP A2102 1.371 6.558 -6.106 1.00 24.11 N ATOM 1452 CA ASP A2102 1.609 5.845 -7.350 1.00 1.54 C ATOM 1453 C ASP A2102 2.256 4.493 -7.043 1.00 13.23 C ATOM 1454 O ASP A2102 1.793 3.456 -7.517 1.00 64.25 O ATOM 1455 CB ASP A2102 2.558 6.626 -8.260 1.00 50.33 C ATOM 1456 CG ASP A2102 2.352 6.398 -9.759 1.00 22.44 C ATOM 1457 OD1 ASP A2102 1.274 6.674 -10.305 1.00 64.15 O ATOM 1458 OD2 ASP A2102 3.371 5.907 -10.381 1.00 41.01 O ATOM 0 H ASP A2102 1.880 7.437 -6.014 1.00 24.11 H new ATOM 0 HA ASP A2102 0.650 5.717 -7.853 1.00 1.54 H new ATOM 0 HB2 ASP A2102 2.444 7.690 -8.051 1.00 50.33 H new ATOM 0 HB3 ASP A2102 3.584 6.359 -8.005 1.00 50.33 H new ATOM 1464 N LEU A2103 3.316 4.546 -6.250 1.00 71.14 N ATOM 1465 CA LEU A2103 4.031 3.339 -5.873 1.00 72.53 C ATOM 1466 C LEU A2103 3.049 2.342 -5.257 1.00 15.04 C ATOM 1467 O LEU A2103 2.970 1.193 -5.691 1.00 45.32 O ATOM 1468 CB LEU A2103 5.214 3.678 -4.965 1.00 12.10 C ATOM 1469 CG LEU A2103 6.513 4.071 -5.673 1.00 15.14 C ATOM 1470 CD1 LEU A2103 6.486 5.543 -6.089 1.00 52.21 C ATOM 1471 CD2 LEU A2103 7.730 3.743 -4.805 1.00 62.42 C ATOM 0 H LEU A2103 3.697 5.407 -5.858 1.00 71.14 H new ATOM 0 HA LEU A2103 4.462 2.861 -6.753 1.00 72.53 H new ATOM 0 HB2 LEU A2103 4.919 4.497 -4.308 1.00 12.10 H new ATOM 0 HB3 LEU A2103 5.417 2.816 -4.329 1.00 12.10 H new ATOM 0 HG LEU A2103 6.598 3.480 -6.585 1.00 15.14 H new ATOM 0 HD11 LEU A2103 7.420 5.797 -6.590 1.00 52.21 H new ATOM 0 HD12 LEU A2103 5.652 5.714 -6.769 1.00 52.21 H new ATOM 0 HD13 LEU A2103 6.367 6.169 -5.205 1.00 52.21 H new ATOM 0 HD21 LEU A2103 8.640 4.032 -5.331 1.00 62.42 H new ATOM 0 HD22 LEU A2103 7.665 4.291 -3.865 1.00 62.42 H new ATOM 0 HD23 LEU A2103 7.753 2.673 -4.600 1.00 62.42 H new ATOM 1483 N TYR A2104 2.322 2.816 -4.255 1.00 15.20 N ATOM 1484 CA TYR A2104 1.348 1.980 -3.574 1.00 2.13 C ATOM 1485 C TYR A2104 0.365 1.362 -4.570 1.00 40.43 C ATOM 1486 O TYR A2104 0.224 0.141 -4.633 1.00 2.54 O ATOM 1487 CB TYR A2104 0.583 2.908 -2.629 1.00 42.42 C ATOM 1488 CG TYR A2104 1.384 3.345 -1.402 1.00 21.05 C ATOM 1489 CD1 TYR A2104 2.230 2.451 -0.774 1.00 41.12 C ATOM 1490 CD2 TYR A2104 1.262 4.632 -0.919 1.00 3.22 C ATOM 1491 CE1 TYR A2104 2.984 2.862 0.381 1.00 42.13 C ATOM 1492 CE2 TYR A2104 2.016 5.042 0.237 1.00 72.44 C ATOM 1493 CZ TYR A2104 2.840 4.137 0.830 1.00 32.31 C ATOM 1494 OH TYR A2104 3.553 4.524 1.922 1.00 74.43 O ATOM 0 H TYR A2104 2.388 3.769 -3.898 1.00 15.20 H new ATOM 0 HA TYR A2104 1.843 1.164 -3.048 1.00 2.13 H new ATOM 0 HB2 TYR A2104 0.271 3.795 -3.181 1.00 42.42 H new ATOM 0 HB3 TYR A2104 -0.324 2.404 -2.297 1.00 42.42 H new ATOM 0 HD1 TYR A2104 2.326 1.443 -1.150 1.00 41.12 H new ATOM 0 HD2 TYR A2104 0.601 5.332 -1.408 1.00 3.22 H new ATOM 0 HE1 TYR A2104 3.649 2.173 0.880 1.00 42.13 H new ATOM 0 HE2 TYR A2104 1.929 6.046 0.625 1.00 72.44 H new ATOM 0 HH TYR A2104 3.352 5.460 2.129 1.00 74.43 H new ATOM 1504 N TYR A2105 -0.289 2.233 -5.324 1.00 5.14 N ATOM 1505 CA TYR A2105 -1.255 1.788 -6.315 1.00 21.45 C ATOM 1506 C TYR A2105 -0.675 0.668 -7.181 1.00 62.52 C ATOM 1507 O TYR A2105 -1.385 -0.268 -7.547 1.00 3.05 O ATOM 1508 CB TYR A2105 -1.542 3.003 -7.197 1.00 22.43 C ATOM 1509 CG TYR A2105 -2.968 3.044 -7.754 1.00 22.31 C ATOM 1510 CD1 TYR A2105 -3.628 1.868 -8.050 1.00 52.05 C ATOM 1511 CD2 TYR A2105 -3.593 4.258 -7.961 1.00 33.21 C ATOM 1512 CE1 TYR A2105 -4.968 1.907 -8.573 1.00 32.41 C ATOM 1513 CE2 TYR A2105 -4.934 4.295 -8.484 1.00 53.44 C ATOM 1514 CZ TYR A2105 -5.555 3.119 -8.764 1.00 20.54 C ATOM 1515 OH TYR A2105 -6.821 3.156 -9.259 1.00 34.10 O ATOM 0 H TYR A2105 -0.169 3.244 -5.269 1.00 5.14 H new ATOM 0 HA TYR A2105 -2.152 1.401 -5.831 1.00 21.45 H new ATOM 0 HB2 TYR A2105 -1.362 3.910 -6.619 1.00 22.43 H new ATOM 0 HB3 TYR A2105 -0.837 3.010 -8.029 1.00 22.43 H new ATOM 0 HD1 TYR A2105 -3.139 0.919 -7.889 1.00 52.05 H new ATOM 0 HD2 TYR A2105 -3.077 5.178 -7.731 1.00 33.21 H new ATOM 0 HE1 TYR A2105 -5.496 0.995 -8.809 1.00 32.41 H new ATOM 0 HE2 TYR A2105 -5.436 5.237 -8.650 1.00 53.44 H new ATOM 0 HH TYR A2105 -7.113 4.088 -9.342 1.00 34.10 H new ATOM 1525 N HIS A2106 0.607 0.800 -7.484 1.00 54.53 N ATOM 1526 CA HIS A2106 1.290 -0.189 -8.300 1.00 10.40 C ATOM 1527 C HIS A2106 1.285 -1.539 -7.582 1.00 14.30 C ATOM 1528 O HIS A2106 1.022 -2.572 -8.195 1.00 24.32 O ATOM 1529 CB HIS A2106 2.699 0.284 -8.663 1.00 32.00 C ATOM 1530 CG HIS A2106 2.838 0.766 -10.087 1.00 23.23 C ATOM 1531 ND1 HIS A2106 3.371 2.000 -10.414 1.00 74.52 N ATOM 1532 CD2 HIS A2106 2.510 0.164 -11.267 1.00 33.43 C ATOM 1533 CE1 HIS A2106 3.357 2.126 -11.732 1.00 45.35 C ATOM 1534 NE2 HIS A2106 2.823 0.988 -12.260 1.00 75.23 N ATOM 0 H HIS A2106 1.192 1.578 -7.179 1.00 54.53 H new ATOM 0 HA HIS A2106 0.758 -0.316 -9.243 1.00 10.40 H new ATOM 0 HB2 HIS A2106 2.985 1.090 -7.988 1.00 32.00 H new ATOM 0 HB3 HIS A2106 3.400 -0.534 -8.497 1.00 32.00 H new ATOM 0 HD2 HIS A2106 2.070 -0.817 -11.375 1.00 33.43 H new ATOM 0 HE1 HIS A2106 3.707 2.981 -12.291 1.00 45.35 H new ATOM 0 HE2 HIS A2106 2.687 0.801 -13.253 1.00 75.23 H new ATOM 1543 N VAL A2107 1.580 -1.487 -6.290 1.00 62.54 N ATOM 1544 CA VAL A2107 1.613 -2.695 -5.481 1.00 72.44 C ATOM 1545 C VAL A2107 0.181 -3.113 -5.140 1.00 11.40 C ATOM 1546 O VAL A2107 -0.135 -4.300 -5.131 1.00 24.14 O ATOM 1547 CB VAL A2107 2.483 -2.470 -4.242 1.00 32.45 C ATOM 1548 CG1 VAL A2107 3.525 -1.379 -4.495 1.00 35.45 C ATOM 1549 CG2 VAL A2107 1.623 -2.136 -3.023 1.00 71.23 C ATOM 0 H VAL A2107 1.798 -0.628 -5.784 1.00 62.54 H new ATOM 0 HA VAL A2107 2.068 -3.516 -6.036 1.00 72.44 H new ATOM 0 HB VAL A2107 3.015 -3.398 -4.032 1.00 32.45 H new ATOM 0 HG11 VAL A2107 4.130 -1.239 -3.599 1.00 35.45 H new ATOM 0 HG12 VAL A2107 4.168 -1.675 -5.324 1.00 35.45 H new ATOM 0 HG13 VAL A2107 3.021 -0.445 -4.742 1.00 35.45 H new ATOM 0 HG21 VAL A2107 2.265 -1.981 -2.156 1.00 71.23 H new ATOM 0 HG22 VAL A2107 1.052 -1.229 -3.218 1.00 71.23 H new ATOM 0 HG23 VAL A2107 0.938 -2.960 -2.824 1.00 71.23 H new ATOM 1559 N PHE A2108 -0.645 -2.114 -4.868 1.00 11.45 N ATOM 1560 CA PHE A2108 -2.035 -2.363 -4.526 1.00 23.02 C ATOM 1561 C PHE A2108 -2.810 -2.890 -5.736 1.00 32.15 C ATOM 1562 O PHE A2108 -3.728 -3.694 -5.585 1.00 72.43 O ATOM 1563 CB PHE A2108 -2.636 -1.026 -4.093 1.00 22.00 C ATOM 1564 CG PHE A2108 -2.555 -0.763 -2.588 1.00 2.14 C ATOM 1565 CD1 PHE A2108 -1.461 -0.149 -2.061 1.00 4.23 C ATOM 1566 CD2 PHE A2108 -3.576 -1.148 -1.775 1.00 30.12 C ATOM 1567 CE1 PHE A2108 -1.388 0.093 -0.664 1.00 24.32 C ATOM 1568 CE2 PHE A2108 -3.501 -0.906 -0.379 1.00 54.03 C ATOM 1569 CZ PHE A2108 -2.408 -0.292 0.148 1.00 51.14 C ATOM 0 H PHE A2108 -0.378 -1.130 -4.877 1.00 11.45 H new ATOM 0 HA PHE A2108 -2.096 -3.110 -3.735 1.00 23.02 H new ATOM 0 HB2 PHE A2108 -2.123 -0.222 -4.620 1.00 22.00 H new ATOM 0 HB3 PHE A2108 -3.681 -0.993 -4.401 1.00 22.00 H new ATOM 0 HD1 PHE A2108 -0.649 0.154 -2.705 1.00 4.23 H new ATOM 0 HD2 PHE A2108 -4.443 -1.638 -2.192 1.00 30.12 H new ATOM 0 HE1 PHE A2108 -0.521 0.583 -0.246 1.00 24.32 H new ATOM 0 HE2 PHE A2108 -4.313 -1.210 0.266 1.00 54.03 H new ATOM 0 HZ PHE A2108 -2.350 -0.110 1.211 1.00 51.14 H new ATOM 1579 N ARG A2109 -2.410 -2.415 -6.905 1.00 72.43 N ATOM 1580 CA ARG A2109 -3.058 -2.828 -8.141 1.00 41.30 C ATOM 1581 C ARG A2109 -2.532 -4.196 -8.584 1.00 52.43 C ATOM 1582 O ARG A2109 -3.272 -4.993 -9.157 1.00 72.33 O ATOM 1583 CB ARG A2109 -2.812 -1.811 -9.256 1.00 75.51 C ATOM 1584 CG ARG A2109 -1.391 -1.929 -9.805 1.00 43.02 C ATOM 1585 CD ARG A2109 -1.195 -1.022 -11.022 1.00 54.13 C ATOM 1586 NE ARG A2109 -1.557 -1.749 -12.259 1.00 2.43 N ATOM 1587 CZ ARG A2109 -1.801 -1.151 -13.444 1.00 23.52 C ATOM 1588 NH1 ARG A2109 -1.727 0.191 -13.562 1.00 43.13 N ATOM 1589 NH2 ARG A2109 -2.117 -1.898 -14.486 1.00 14.31 N ATOM 0 H ARG A2109 -1.647 -1.749 -7.025 1.00 72.43 H new ATOM 0 HA ARG A2109 -4.129 -2.891 -7.950 1.00 41.30 H new ATOM 0 HB2 ARG A2109 -3.530 -1.968 -10.061 1.00 75.51 H new ATOM 0 HB3 ARG A2109 -2.975 -0.803 -8.875 1.00 75.51 H new ATOM 0 HG2 ARG A2109 -0.674 -1.661 -9.029 1.00 43.02 H new ATOM 0 HG3 ARG A2109 -1.189 -2.964 -10.082 1.00 43.02 H new ATOM 0 HD2 ARG A2109 -1.811 -0.128 -10.922 1.00 54.13 H new ATOM 0 HD3 ARG A2109 -0.158 -0.691 -11.076 1.00 54.13 H new ATOM 0 HE ARG A2109 -1.626 -2.766 -12.213 1.00 2.43 H new ATOM 0 HH11 ARG A2109 -1.485 0.762 -12.752 1.00 43.13 H new ATOM 0 HH12 ARG A2109 -1.913 0.635 -14.461 1.00 43.13 H new ATOM 0 HH21 ARG A2109 -2.174 -2.912 -14.388 1.00 14.31 H new ATOM 0 HH22 ARG A2109 -2.304 -1.461 -15.389 1.00 14.31 H new ATOM 1601 N ARG A2110 -1.257 -4.425 -8.299 1.00 72.42 N ATOM 1602 CA ARG A2110 -0.625 -5.682 -8.660 1.00 72.31 C ATOM 1603 C ARG A2110 -1.272 -6.839 -7.897 1.00 13.44 C ATOM 1604 O ARG A2110 -1.670 -7.837 -8.495 1.00 42.44 O ATOM 1605 CB ARG A2110 0.875 -5.651 -8.356 1.00 33.21 C ATOM 1606 CG ARG A2110 1.651 -4.986 -9.494 1.00 24.31 C ATOM 1607 CD ARG A2110 1.845 -5.955 -10.663 1.00 51.33 C ATOM 1608 NE ARG A2110 3.287 -6.212 -10.873 1.00 63.34 N ATOM 1609 CZ ARG A2110 3.977 -7.194 -10.257 1.00 25.00 C ATOM 1610 NH1 ARG A2110 3.362 -8.024 -9.387 1.00 41.32 N ATOM 1611 NH2 ARG A2110 5.263 -7.334 -10.520 1.00 0.31 N ATOM 0 H ARG A2110 -0.646 -3.761 -7.823 1.00 72.42 H new ATOM 0 HA ARG A2110 -0.763 -5.828 -9.731 1.00 72.31 H new ATOM 0 HB2 ARG A2110 1.050 -5.109 -7.426 1.00 33.21 H new ATOM 0 HB3 ARG A2110 1.241 -6.667 -8.207 1.00 33.21 H new ATOM 0 HG2 ARG A2110 1.115 -4.100 -9.836 1.00 24.31 H new ATOM 0 HG3 ARG A2110 2.622 -4.650 -9.130 1.00 24.31 H new ATOM 0 HD2 ARG A2110 1.326 -6.892 -10.460 1.00 51.33 H new ATOM 0 HD3 ARG A2110 1.406 -5.537 -11.569 1.00 51.33 H new ATOM 0 HE ARG A2110 3.791 -5.609 -11.524 1.00 63.34 H new ATOM 0 HH11 ARG A2110 2.367 -7.911 -9.191 1.00 41.32 H new ATOM 0 HH12 ARG A2110 3.892 -8.764 -8.926 1.00 41.32 H new ATOM 0 HH21 ARG A2110 5.720 -6.705 -11.180 1.00 0.31 H new ATOM 0 HH22 ARG A2110 5.800 -8.071 -10.063 1.00 0.31 H new ATOM 1623 N ILE A2111 -1.354 -6.669 -6.586 1.00 73.14 N ATOM 1624 CA ILE A2111 -1.944 -7.687 -5.734 1.00 13.04 C ATOM 1625 C ILE A2111 -3.231 -8.201 -6.380 1.00 34.54 C ATOM 1626 O ILE A2111 -3.620 -9.350 -6.167 1.00 0.04 O ATOM 1627 CB ILE A2111 -2.139 -7.150 -4.315 1.00 13.24 C ATOM 1628 CG1 ILE A2111 -2.797 -5.768 -4.335 1.00 3.34 C ATOM 1629 CG2 ILE A2111 -0.819 -7.145 -3.543 1.00 14.41 C ATOM 1630 CD1 ILE A2111 -2.999 -5.236 -2.916 1.00 72.20 C ATOM 0 H ILE A2111 -1.021 -5.841 -6.093 1.00 73.14 H new ATOM 0 HA ILE A2111 -1.273 -8.540 -5.637 1.00 13.04 H new ATOM 0 HB ILE A2111 -2.817 -7.821 -3.788 1.00 13.24 H new ATOM 0 HG12 ILE A2111 -2.177 -5.074 -4.902 1.00 3.34 H new ATOM 0 HG13 ILE A2111 -3.758 -5.826 -4.845 1.00 3.34 H new ATOM 0 HG21 ILE A2111 -0.987 -6.759 -2.538 1.00 14.41 H new ATOM 0 HG22 ILE A2111 -0.430 -8.161 -3.481 1.00 14.41 H new ATOM 0 HG23 ILE A2111 -0.098 -6.512 -4.059 1.00 14.41 H new ATOM 0 HD11 ILE A2111 -3.468 -4.253 -2.959 1.00 72.20 H new ATOM 0 HD12 ILE A2111 -3.640 -5.920 -2.359 1.00 72.20 H new ATOM 0 HD13 ILE A2111 -2.033 -5.156 -2.417 1.00 72.20 H new ATOM 1642 N SER A2112 -3.859 -7.330 -7.154 1.00 55.52 N ATOM 1643 CA SER A2112 -5.095 -7.681 -7.832 1.00 32.44 C ATOM 1644 C SER A2112 -4.794 -8.150 -9.258 1.00 71.32 C ATOM 1645 O SER A2112 -5.182 -9.248 -9.648 1.00 34.44 O ATOM 1646 CB SER A2112 -6.066 -6.500 -7.855 1.00 51.21 C ATOM 1647 OG SER A2112 -7.207 -6.763 -8.667 1.00 63.43 O ATOM 0 H SER A2112 -3.534 -6.379 -7.327 1.00 55.52 H new ATOM 0 HA SER A2112 -5.569 -8.494 -7.281 1.00 32.44 H new ATOM 0 HB2 SER A2112 -6.388 -6.276 -6.838 1.00 51.21 H new ATOM 0 HB3 SER A2112 -5.551 -5.615 -8.229 1.00 51.21 H new ATOM 0 HG SER A2112 -7.804 -5.986 -8.655 1.00 63.43 H new ATOM 1653 N LYS A2113 -4.106 -7.291 -9.995 1.00 1.53 N ATOM 1654 CA LYS A2113 -3.749 -7.602 -11.368 1.00 43.11 C ATOM 1655 C LYS A2113 -3.317 -9.068 -11.459 1.00 73.32 C ATOM 1656 O LYS A2113 -2.765 -9.616 -10.507 1.00 25.12 O ATOM 1657 CB LYS A2113 -2.696 -6.618 -11.885 1.00 71.32 C ATOM 1658 CG LYS A2113 -3.265 -5.745 -13.004 1.00 72.13 C ATOM 1659 CD LYS A2113 -2.848 -6.272 -14.377 1.00 73.34 C ATOM 1660 CE LYS A2113 -3.063 -5.213 -15.460 1.00 11.44 C ATOM 1661 NZ LYS A2113 -2.963 -5.820 -16.807 1.00 33.42 N ATOM 0 H LYS A2113 -3.786 -6.380 -9.667 1.00 1.53 H new ATOM 0 HA LYS A2113 -4.613 -7.482 -12.022 1.00 43.11 H new ATOM 0 HB2 LYS A2113 -2.350 -5.987 -11.067 1.00 71.32 H new ATOM 0 HB3 LYS A2113 -1.829 -7.167 -12.252 1.00 71.32 H new ATOM 0 HG2 LYS A2113 -4.353 -5.722 -12.935 1.00 72.13 H new ATOM 0 HG3 LYS A2113 -2.916 -4.719 -12.883 1.00 72.13 H new ATOM 0 HD2 LYS A2113 -1.799 -6.566 -14.354 1.00 73.34 H new ATOM 0 HD3 LYS A2113 -3.424 -7.165 -14.618 1.00 73.34 H new ATOM 0 HE2 LYS A2113 -4.042 -4.750 -15.335 1.00 11.44 H new ATOM 0 HE3 LYS A2113 -2.321 -4.422 -15.355 1.00 11.44 H new ATOM 0 HZ1 LYS A2113 -3.111 -5.087 -17.530 1.00 33.42 H new ATOM 0 HZ2 LYS A2113 -2.020 -6.241 -16.929 1.00 33.42 H new ATOM 0 HZ3 LYS A2113 -3.688 -6.559 -16.909 1.00 33.42 H new ATOM 1674 N GLN A2114 -3.592 -9.661 -12.613 1.00 11.22 N ATOM 1675 CA GLN A2114 -3.239 -11.053 -12.841 1.00 52.50 C ATOM 1676 C GLN A2114 -3.785 -11.929 -11.712 1.00 41.33 C ATOM 1677 O GLN A2114 -3.201 -12.961 -11.384 1.00 44.52 O ATOM 1678 CB GLN A2114 -1.724 -11.218 -12.980 1.00 64.33 C ATOM 1679 CG GLN A2114 -1.346 -11.604 -14.410 1.00 51.00 C ATOM 1680 CD GLN A2114 -0.027 -12.377 -14.440 1.00 43.20 C ATOM 1681 OE1 GLN A2114 0.033 -13.566 -14.171 1.00 60.53 O ATOM 1682 NE2 GLN A2114 1.027 -11.639 -14.778 1.00 53.41 N ATOM 0 H GLN A2114 -4.054 -9.204 -13.399 1.00 11.22 H new ATOM 0 HA GLN A2114 -3.694 -11.376 -13.778 1.00 52.50 H new ATOM 0 HB2 GLN A2114 -1.226 -10.288 -12.707 1.00 64.33 H new ATOM 0 HB3 GLN A2114 -1.372 -11.983 -12.288 1.00 64.33 H new ATOM 0 HG2 GLN A2114 -2.138 -12.212 -14.847 1.00 51.00 H new ATOM 0 HG3 GLN A2114 -1.259 -10.706 -15.022 1.00 51.00 H new ATOM 0 HE21 GLN A2114 0.909 -10.649 -14.991 1.00 53.41 H new ATOM 0 HE22 GLN A2114 1.953 -12.064 -14.824 1.00 53.41 H new TER 1691 GLN A2114