USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=19 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 152:sc= -5.06! (180deg=-3.41!) USER MOD Set 1.2: A2057 MET CE :methyl -171:sc= -9.35! (180deg=-4.87!) USER MOD Set 1.3: A2058 MET CE :methyl -156:sc= -20.1! (180deg=-19.2!) USER MOD Set 2.1: A2038 TYR OH : rot 180:sc= 0.163 USER MOD Set 2.2: A2098 THR OG1 : rot -47:sc= 0.155 USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -0.845 X(o=-0.85,f=-1.1) USER MOD Single : A2028 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.47) USER MOD Single : A2035 SER OG : rot 35:sc= 0.661 USER MOD Single : A2043 ASN : amide:sc= -3.11! C(o=-3.1!,f=-2!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -112:sc= -0.949 (180deg=-4.75!) USER MOD Single : A2055 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-0.82) USER MOD Single : A2063 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.67) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 68:sc= 0.212 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A2072 GLN : amide:sc=-0.00347 X(o=-0.0035,f=-0.0035) USER MOD Single : A2074 TYR OH : rot 150:sc= -0.865 USER MOD Single : A2079 MET CE :methyl 161:sc= -0.314 (180deg=-0.709) USER MOD Single : A2082 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.5!) USER MOD Single : A2085 CYS SG : rot 86:sc= -1.52 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 -134:sc= -10.3! (180deg=-12.3!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.2!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2099 GLN : amide:sc= -0.0279 X(o=-0.028,f=0) 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 X(o=0,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= -0.363 K(o=-0.36,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 2.712 -17.399 -12.344 1.00 71.31 N ATOM 2 CA MET A2014 1.348 -17.865 -12.158 1.00 44.11 C ATOM 3 C MET A2014 0.450 -16.739 -11.640 1.00 12.55 C ATOM 4 O MET A2014 0.939 -15.682 -11.247 1.00 73.13 O ATOM 5 CB MET A2014 1.336 -19.026 -11.162 1.00 42.54 C ATOM 6 CG MET A2014 1.130 -20.362 -11.880 1.00 53.44 C ATOM 7 SD MET A2014 -0.515 -20.979 -11.561 1.00 12.14 S ATOM 8 CE MET A2014 -0.160 -22.718 -11.368 1.00 42.35 C ATOM 0 HA MET A2014 0.963 -18.198 -13.122 1.00 44.11 H new ATOM 0 HB2 MET A2014 2.276 -19.047 -10.611 1.00 42.54 H new ATOM 0 HB3 MET A2014 0.541 -18.875 -10.432 1.00 42.54 H new ATOM 0 HG2 MET A2014 1.278 -20.235 -12.952 1.00 53.44 H new ATOM 0 HG3 MET A2014 1.871 -21.085 -11.540 1.00 53.44 H new ATOM 0 HE1 MET A2014 -1.084 -23.257 -11.162 1.00 42.35 H new ATOM 0 HE2 MET A2014 0.287 -23.102 -12.285 1.00 42.35 H new ATOM 0 HE3 MET A2014 0.534 -22.858 -10.539 1.00 42.35 H new ATOM 18 N GLU A2015 -0.848 -17.005 -11.657 1.00 22.54 N ATOM 19 CA GLU A2015 -1.819 -16.028 -11.195 1.00 21.24 C ATOM 20 C GLU A2015 -1.601 -15.726 -9.709 1.00 64.04 C ATOM 21 O GLU A2015 -2.124 -14.741 -9.191 1.00 61.23 O ATOM 22 CB GLU A2015 -3.248 -16.510 -11.453 1.00 42.11 C ATOM 23 CG GLU A2015 -3.658 -16.251 -12.905 1.00 21.15 C ATOM 24 CD GLU A2015 -4.753 -15.187 -12.983 1.00 43.42 C ATOM 25 OE1 GLU A2015 -4.491 -14.061 -13.434 1.00 61.31 O ATOM 26 OE2 GLU A2015 -5.910 -15.561 -12.557 1.00 73.15 O ATOM 0 H GLU A2015 -1.250 -17.884 -11.984 1.00 22.54 H new ATOM 0 HA GLU A2015 -1.675 -15.106 -11.759 1.00 21.24 H new ATOM 0 HB2 GLU A2015 -3.322 -17.575 -11.235 1.00 42.11 H new ATOM 0 HB3 GLU A2015 -3.936 -15.998 -10.780 1.00 42.11 H new ATOM 0 HG2 GLU A2015 -2.790 -15.928 -13.480 1.00 21.15 H new ATOM 0 HG3 GLU A2015 -4.013 -17.177 -13.357 1.00 21.15 H new ATOM 34 N LEU A2016 -0.830 -16.593 -9.069 1.00 73.52 N ATOM 35 CA LEU A2016 -0.538 -16.432 -7.656 1.00 52.22 C ATOM 36 C LEU A2016 -1.805 -16.714 -6.842 1.00 3.45 C ATOM 37 O LEU A2016 -1.828 -16.502 -5.632 1.00 52.34 O ATOM 38 CB LEU A2016 0.068 -15.054 -7.386 1.00 45.12 C ATOM 39 CG LEU A2016 1.522 -15.042 -6.910 1.00 71.21 C ATOM 40 CD1 LEU A2016 1.647 -15.667 -5.519 1.00 3.13 C ATOM 41 CD2 LEU A2016 2.439 -15.722 -7.929 1.00 43.23 C ATOM 0 H LEU A2016 -0.399 -17.409 -9.504 1.00 73.52 H new ATOM 0 HA LEU A2016 0.215 -17.154 -7.340 1.00 52.22 H new ATOM 0 HB2 LEU A2016 0.001 -14.464 -8.300 1.00 45.12 H new ATOM 0 HB3 LEU A2016 -0.543 -14.551 -6.637 1.00 45.12 H new ATOM 0 HG LEU A2016 1.847 -14.005 -6.828 1.00 71.21 H new ATOM 0 HD11 LEU A2016 2.690 -15.646 -5.203 1.00 3.13 H new ATOM 0 HD12 LEU A2016 1.042 -15.101 -4.810 1.00 3.13 H new ATOM 0 HD13 LEU A2016 1.298 -16.699 -5.551 1.00 3.13 H new ATOM 0 HD21 LEU A2016 3.466 -15.699 -7.566 1.00 43.23 H new ATOM 0 HD22 LEU A2016 2.125 -16.757 -8.067 1.00 43.23 H new ATOM 0 HD23 LEU A2016 2.379 -15.195 -8.881 1.00 43.23 H new ATOM 53 N ILE A2017 -2.824 -17.191 -7.540 1.00 4.02 N ATOM 54 CA ILE A2017 -4.088 -17.506 -6.898 1.00 52.24 C ATOM 55 C ILE A2017 -4.678 -16.231 -6.292 1.00 2.32 C ATOM 56 O ILE A2017 -3.949 -15.400 -5.753 1.00 24.13 O ATOM 57 CB ILE A2017 -3.909 -18.642 -5.890 1.00 72.14 C ATOM 58 CG1 ILE A2017 -3.398 -19.909 -6.578 1.00 73.32 C ATOM 59 CG2 ILE A2017 -5.203 -18.894 -5.113 1.00 74.13 C ATOM 60 CD1 ILE A2017 -1.911 -20.126 -6.292 1.00 1.11 C ATOM 0 H ILE A2017 -2.800 -17.367 -8.544 1.00 4.02 H new ATOM 0 HA ILE A2017 -4.807 -17.873 -7.630 1.00 52.24 H new ATOM 0 HB ILE A2017 -3.152 -18.341 -5.166 1.00 72.14 H new ATOM 0 HG12 ILE A2017 -3.968 -20.771 -6.231 1.00 73.32 H new ATOM 0 HG13 ILE A2017 -3.558 -19.833 -7.654 1.00 73.32 H new ATOM 0 HG21 ILE A2017 -5.049 -19.707 -4.403 1.00 74.13 H new ATOM 0 HG22 ILE A2017 -5.486 -17.990 -4.574 1.00 74.13 H new ATOM 0 HG23 ILE A2017 -5.998 -19.165 -5.808 1.00 74.13 H new ATOM 0 HD11 ILE A2017 -1.573 -21.033 -6.793 1.00 1.11 H new ATOM 0 HD12 ILE A2017 -1.341 -19.274 -6.662 1.00 1.11 H new ATOM 0 HD13 ILE A2017 -1.758 -20.226 -5.217 1.00 1.11 H new ATOM 72 N ARG A2018 -5.994 -16.117 -6.397 1.00 41.13 N ATOM 73 CA ARG A2018 -6.689 -14.957 -5.865 1.00 71.15 C ATOM 74 C ARG A2018 -7.710 -15.389 -4.811 1.00 40.40 C ATOM 75 O ARG A2018 -8.507 -16.296 -5.046 1.00 45.24 O ATOM 76 CB ARG A2018 -7.408 -14.189 -6.976 1.00 50.14 C ATOM 77 CG ARG A2018 -6.411 -13.419 -7.844 1.00 52.53 C ATOM 78 CD ARG A2018 -5.777 -12.267 -7.058 1.00 1.33 C ATOM 79 NE ARG A2018 -4.370 -12.589 -6.735 1.00 24.20 N ATOM 80 CZ ARG A2018 -3.345 -12.465 -7.606 1.00 34.43 C ATOM 81 NH1 ARG A2018 -3.563 -12.024 -8.863 1.00 34.13 N ATOM 82 NH2 ARG A2018 -2.126 -12.783 -7.210 1.00 51.45 N ATOM 0 H ARG A2018 -6.597 -16.809 -6.842 1.00 41.13 H new ATOM 0 HA ARG A2018 -5.945 -14.304 -5.410 1.00 71.15 H new ATOM 0 HB2 ARG A2018 -7.974 -14.884 -7.596 1.00 50.14 H new ATOM 0 HB3 ARG A2018 -8.126 -13.495 -6.538 1.00 50.14 H new ATOM 0 HG2 ARG A2018 -5.632 -14.095 -8.197 1.00 52.53 H new ATOM 0 HG3 ARG A2018 -6.917 -13.027 -8.726 1.00 52.53 H new ATOM 0 HD2 ARG A2018 -5.823 -11.348 -7.643 1.00 1.33 H new ATOM 0 HD3 ARG A2018 -6.338 -12.090 -6.140 1.00 1.33 H new ATOM 0 HE ARG A2018 -4.160 -12.926 -5.795 1.00 24.20 H new ATOM 0 HH11 ARG A2018 -4.508 -11.781 -9.162 1.00 34.13 H new ATOM 0 HH12 ARG A2018 -2.783 -11.933 -9.514 1.00 34.13 H new ATOM 0 HH21 ARG A2018 -1.970 -13.117 -6.259 1.00 51.45 H new ATOM 0 HH22 ARG A2018 -1.341 -12.695 -7.855 1.00 51.45 H new ATOM 94 N VAL A2019 -7.654 -14.719 -3.670 1.00 14.00 N ATOM 95 CA VAL A2019 -8.564 -15.022 -2.577 1.00 43.43 C ATOM 96 C VAL A2019 -9.181 -13.721 -2.059 1.00 62.12 C ATOM 97 O VAL A2019 -8.510 -12.692 -1.994 1.00 42.41 O ATOM 98 CB VAL A2019 -7.831 -15.811 -1.490 1.00 41.32 C ATOM 99 CG1 VAL A2019 -8.702 -15.958 -0.240 1.00 43.30 C ATOM 100 CG2 VAL A2019 -7.384 -17.178 -2.013 1.00 3.42 C ATOM 0 H VAL A2019 -6.993 -13.967 -3.478 1.00 14.00 H new ATOM 0 HA VAL A2019 -9.381 -15.655 -2.923 1.00 43.43 H new ATOM 0 HB VAL A2019 -6.938 -15.251 -1.212 1.00 41.32 H new ATOM 0 HG11 VAL A2019 -8.159 -16.522 0.518 1.00 43.30 H new ATOM 0 HG12 VAL A2019 -8.948 -14.970 0.150 1.00 43.30 H new ATOM 0 HG13 VAL A2019 -9.620 -16.486 -0.497 1.00 43.30 H new ATOM 0 HG21 VAL A2019 -6.866 -17.719 -1.221 1.00 3.42 H new ATOM 0 HG22 VAL A2019 -8.256 -17.749 -2.331 1.00 3.42 H new ATOM 0 HG23 VAL A2019 -6.711 -17.041 -2.860 1.00 3.42 H new ATOM 110 N PRO A2020 -10.488 -13.812 -1.691 1.00 75.12 N ATOM 111 CA PRO A2020 -11.203 -12.656 -1.180 1.00 74.41 C ATOM 112 C PRO A2020 -10.784 -12.344 0.258 1.00 12.21 C ATOM 113 O PRO A2020 -10.589 -11.183 0.613 1.00 43.24 O ATOM 114 CB PRO A2020 -12.675 -13.018 -1.305 1.00 51.22 C ATOM 115 CG PRO A2020 -12.721 -14.531 -1.444 1.00 72.12 C ATOM 116 CD PRO A2020 -11.313 -15.014 -1.753 1.00 65.41 C ATOM 0 HA PRO A2020 -10.982 -11.745 -1.735 1.00 74.41 H new ATOM 0 HB2 PRO A2020 -13.234 -12.689 -0.429 1.00 51.22 H new ATOM 0 HB3 PRO A2020 -13.125 -12.532 -2.171 1.00 51.22 H new ATOM 0 HG2 PRO A2020 -13.088 -14.988 -0.525 1.00 72.12 H new ATOM 0 HG3 PRO A2020 -13.407 -14.821 -2.240 1.00 72.12 H new ATOM 0 HD2 PRO A2020 -10.982 -15.759 -1.030 1.00 65.41 H new ATOM 0 HD3 PRO A2020 -11.261 -15.480 -2.737 1.00 65.41 H new ATOM 124 N ILE A2021 -10.659 -13.401 1.046 1.00 62.22 N ATOM 125 CA ILE A2021 -10.267 -13.255 2.439 1.00 0.23 C ATOM 126 C ILE A2021 -8.782 -13.591 2.583 1.00 13.24 C ATOM 127 O ILE A2021 -8.408 -14.762 2.620 1.00 53.24 O ATOM 128 CB ILE A2021 -11.178 -14.088 3.343 1.00 50.13 C ATOM 129 CG1 ILE A2021 -11.451 -15.462 2.728 1.00 3.44 C ATOM 130 CG2 ILE A2021 -12.472 -13.335 3.661 1.00 0.04 C ATOM 131 CD1 ILE A2021 -12.656 -15.413 1.787 1.00 0.30 C ATOM 0 H ILE A2021 -10.822 -14.363 0.747 1.00 62.22 H new ATOM 0 HA ILE A2021 -10.394 -12.223 2.765 1.00 0.23 H new ATOM 0 HB ILE A2021 -10.662 -14.255 4.289 1.00 50.13 H new ATOM 0 HG12 ILE A2021 -10.571 -15.800 2.180 1.00 3.44 H new ATOM 0 HG13 ILE A2021 -11.633 -16.189 3.520 1.00 3.44 H new ATOM 0 HG21 ILE A2021 -13.102 -13.949 4.305 1.00 0.04 H new ATOM 0 HG22 ILE A2021 -12.234 -12.401 4.170 1.00 0.04 H new ATOM 0 HG23 ILE A2021 -13.004 -13.118 2.735 1.00 0.04 H new ATOM 0 HD11 ILE A2021 -12.828 -16.403 1.364 1.00 0.30 H new ATOM 0 HD12 ILE A2021 -13.539 -15.098 2.343 1.00 0.30 H new ATOM 0 HD13 ILE A2021 -12.461 -14.703 0.983 1.00 0.30 H new ATOM 143 N LEU A2022 -7.976 -12.542 2.663 1.00 63.13 N ATOM 144 CA LEU A2022 -6.540 -12.712 2.804 1.00 55.24 C ATOM 145 C LEU A2022 -5.878 -11.339 2.935 1.00 34.33 C ATOM 146 O LEU A2022 -6.528 -10.368 3.320 1.00 11.42 O ATOM 147 CB LEU A2022 -5.984 -13.554 1.652 1.00 32.23 C ATOM 148 CG LEU A2022 -5.140 -14.763 2.054 1.00 23.20 C ATOM 149 CD1 LEU A2022 -3.931 -14.335 2.890 1.00 32.12 C ATOM 150 CD2 LEU A2022 -5.991 -15.813 2.772 1.00 45.11 C ATOM 0 H LEU A2022 -8.290 -11.572 2.633 1.00 63.13 H new ATOM 0 HA LEU A2022 -6.310 -13.266 3.714 1.00 55.24 H new ATOM 0 HB2 LEU A2022 -6.821 -13.904 1.047 1.00 32.23 H new ATOM 0 HB3 LEU A2022 -5.379 -12.909 1.015 1.00 32.23 H new ATOM 0 HG LEU A2022 -4.755 -15.227 1.146 1.00 23.20 H new ATOM 0 HD11 LEU A2022 -3.348 -15.214 3.163 1.00 32.12 H new ATOM 0 HD12 LEU A2022 -3.310 -13.653 2.309 1.00 32.12 H new ATOM 0 HD13 LEU A2022 -4.274 -13.832 3.794 1.00 32.12 H new ATOM 0 HD21 LEU A2022 -5.366 -16.662 3.047 1.00 45.11 H new ATOM 0 HD22 LEU A2022 -6.425 -15.376 3.671 1.00 45.11 H new ATOM 0 HD23 LEU A2022 -6.789 -16.149 2.110 1.00 45.11 H new ATOM 162 N TRP A2023 -4.595 -11.300 2.608 1.00 72.34 N ATOM 163 CA TRP A2023 -3.840 -10.062 2.685 1.00 51.34 C ATOM 164 C TRP A2023 -4.398 -9.102 1.632 1.00 62.33 C ATOM 165 O TRP A2023 -4.770 -7.974 1.952 1.00 44.32 O ATOM 166 CB TRP A2023 -2.340 -10.323 2.520 1.00 34.24 C ATOM 167 CG TRP A2023 -1.589 -10.484 3.843 1.00 34.34 C ATOM 168 CD1 TRP A2023 -2.103 -10.600 5.075 1.00 12.14 C ATOM 169 CD2 TRP A2023 -0.158 -10.543 4.016 1.00 43.41 C ATOM 170 NE1 TRP A2023 -1.111 -10.729 6.026 1.00 33.00 N ATOM 171 CE2 TRP A2023 0.109 -10.692 5.362 1.00 2.44 C ATOM 172 CE3 TRP A2023 0.878 -10.472 3.067 1.00 54.42 C ATOM 173 CZ2 TRP A2023 1.407 -10.783 5.880 1.00 1.20 C ATOM 174 CZ3 TRP A2023 2.168 -10.563 3.603 1.00 4.02 C ATOM 175 CH2 TRP A2023 2.455 -10.714 4.954 1.00 72.14 C ATOM 0 H TRP A2023 -4.059 -12.107 2.289 1.00 72.34 H new ATOM 0 HA TRP A2023 -3.950 -9.604 3.668 1.00 51.34 H new ATOM 0 HB2 TRP A2023 -2.202 -11.224 1.923 1.00 34.24 H new ATOM 0 HB3 TRP A2023 -1.897 -9.499 1.960 1.00 34.24 H new ATOM 0 HD1 TRP A2023 -3.160 -10.593 5.296 1.00 12.14 H new ATOM 0 HE1 TRP A2023 -1.248 -10.832 7.031 1.00 33.00 H new ATOM 0 HE3 TRP A2023 0.693 -10.356 2.009 1.00 54.42 H new ATOM 0 HZ2 TRP A2023 1.590 -10.900 6.938 1.00 1.20 H new ATOM 0 HZ3 TRP A2023 3.000 -10.512 2.917 1.00 4.02 H new ATOM 0 HH2 TRP A2023 3.480 -10.778 5.288 1.00 72.14 H new ATOM 186 N HIS A2024 -4.439 -9.584 0.399 1.00 34.44 N ATOM 187 CA HIS A2024 -4.945 -8.781 -0.702 1.00 10.22 C ATOM 188 C HIS A2024 -6.247 -8.097 -0.281 1.00 12.04 C ATOM 189 O HIS A2024 -6.610 -7.058 -0.829 1.00 60.30 O ATOM 190 CB HIS A2024 -5.103 -9.631 -1.965 1.00 15.42 C ATOM 191 CG HIS A2024 -4.027 -10.676 -2.141 1.00 14.31 C ATOM 192 ND1 HIS A2024 -4.180 -11.988 -1.725 1.00 64.24 N ATOM 193 CD2 HIS A2024 -2.782 -10.589 -2.691 1.00 31.24 C ATOM 194 CE1 HIS A2024 -3.072 -12.651 -2.018 1.00 53.23 C ATOM 195 NE2 HIS A2024 -2.206 -11.783 -2.615 1.00 13.43 N ATOM 0 H HIS A2024 -4.130 -10.520 0.137 1.00 34.44 H new ATOM 0 HA HIS A2024 -4.227 -7.999 -0.948 1.00 10.22 H new ATOM 0 HB2 HIS A2024 -6.074 -10.125 -1.939 1.00 15.42 H new ATOM 0 HB3 HIS A2024 -5.103 -8.974 -2.835 1.00 15.42 H new ATOM 0 HD2 HIS A2024 -2.340 -9.700 -3.116 1.00 31.24 H new ATOM 0 HE1 HIS A2024 -2.887 -13.696 -1.819 1.00 53.23 H new ATOM 0 HE2 HIS A2024 -1.270 -12.013 -2.948 1.00 13.43 H new ATOM 204 N GLU A2025 -6.913 -8.709 0.687 1.00 13.42 N ATOM 205 CA GLU A2025 -8.168 -8.171 1.188 1.00 53.53 C ATOM 206 C GLU A2025 -7.916 -6.881 1.972 1.00 73.01 C ATOM 207 O GLU A2025 -8.721 -5.952 1.919 1.00 72.31 O ATOM 208 CB GLU A2025 -8.902 -9.201 2.048 1.00 22.02 C ATOM 209 CG GLU A2025 -10.342 -8.763 2.318 1.00 72.03 C ATOM 210 CD GLU A2025 -10.662 -8.823 3.813 1.00 12.55 C ATOM 211 OE1 GLU A2025 -10.875 -9.917 4.358 1.00 72.24 O ATOM 212 OE2 GLU A2025 -10.682 -7.681 4.414 1.00 24.43 O ATOM 0 H GLU A2025 -6.608 -9.572 1.138 1.00 13.42 H new ATOM 0 HA GLU A2025 -8.807 -7.937 0.336 1.00 53.53 H new ATOM 0 HB2 GLU A2025 -8.900 -10.168 1.545 1.00 22.02 H new ATOM 0 HB3 GLU A2025 -8.375 -9.333 2.993 1.00 22.02 H new ATOM 0 HG2 GLU A2025 -10.492 -7.748 1.951 1.00 72.03 H new ATOM 0 HG3 GLU A2025 -11.030 -9.406 1.769 1.00 72.03 H new ATOM 220 N MET A2026 -6.797 -6.865 2.681 1.00 21.32 N ATOM 221 CA MET A2026 -6.431 -5.704 3.475 1.00 14.24 C ATOM 222 C MET A2026 -5.906 -4.576 2.586 1.00 70.22 C ATOM 223 O MET A2026 -6.092 -3.399 2.896 1.00 3.20 O ATOM 224 CB MET A2026 -5.354 -6.098 4.487 1.00 52.41 C ATOM 225 CG MET A2026 -3.953 -5.896 3.907 1.00 72.12 C ATOM 226 SD MET A2026 -3.442 -4.200 4.127 1.00 42.43 S ATOM 227 CE MET A2026 -1.671 -4.392 4.009 1.00 1.25 C ATOM 0 H MET A2026 -6.132 -7.637 2.722 1.00 21.32 H new ATOM 0 HA MET A2026 -7.320 -5.348 3.996 1.00 14.24 H new ATOM 0 HB2 MET A2026 -5.466 -5.501 5.392 1.00 52.41 H new ATOM 0 HB3 MET A2026 -5.485 -7.141 4.775 1.00 52.41 H new ATOM 0 HG2 MET A2026 -3.247 -6.564 4.399 1.00 72.12 H new ATOM 0 HG3 MET A2026 -3.948 -6.152 2.847 1.00 72.12 H new ATOM 0 HE1 MET A2026 -1.229 -3.469 3.632 1.00 1.25 H new ATOM 0 HE2 MET A2026 -1.263 -4.614 4.995 1.00 1.25 H new ATOM 0 HE3 MET A2026 -1.438 -5.210 3.328 1.00 1.25 H new ATOM 237 N TRP A2027 -5.261 -4.973 1.499 1.00 65.14 N ATOM 238 CA TRP A2027 -4.709 -4.007 0.561 1.00 34.24 C ATOM 239 C TRP A2027 -5.874 -3.313 -0.145 1.00 21.45 C ATOM 240 O TRP A2027 -5.859 -2.099 -0.329 1.00 71.14 O ATOM 241 CB TRP A2027 -3.736 -4.682 -0.408 1.00 11.41 C ATOM 242 CG TRP A2027 -2.472 -5.226 0.258 1.00 4.32 C ATOM 243 CD1 TRP A2027 -2.345 -6.328 1.010 1.00 2.42 C ATOM 244 CD2 TRP A2027 -1.152 -4.647 0.199 1.00 3.33 C ATOM 245 NE1 TRP A2027 -1.043 -6.500 1.439 1.00 44.34 N ATOM 246 CE2 TRP A2027 -0.295 -5.444 0.930 1.00 11.34 C ATOM 247 CE3 TRP A2027 -0.694 -3.486 -0.451 1.00 74.33 C ATOM 248 CZ2 TRP A2027 1.069 -5.169 1.082 1.00 61.23 C ATOM 249 CZ3 TRP A2027 0.672 -3.223 -0.289 1.00 64.51 C ATOM 250 CH2 TRP A2027 1.546 -4.018 0.443 1.00 52.22 C ATOM 0 H TRP A2027 -5.108 -5.949 1.246 1.00 65.14 H new ATOM 0 HA TRP A2027 -4.122 -3.252 1.084 1.00 34.24 H new ATOM 0 HB2 TRP A2027 -4.250 -5.501 -0.911 1.00 11.41 H new ATOM 0 HB3 TRP A2027 -3.449 -3.965 -1.177 1.00 11.41 H new ATOM 0 HD1 TRP A2027 -3.158 -6.997 1.250 1.00 2.42 H new ATOM 0 HE1 TRP A2027 -0.695 -7.261 2.022 1.00 44.34 H new ATOM 0 HE3 TRP A2027 -1.345 -2.848 -1.030 1.00 74.33 H new ATOM 0 HZ2 TRP A2027 1.718 -5.810 1.661 1.00 61.23 H new ATOM 0 HZ3 TRP A2027 1.074 -2.341 -0.766 1.00 64.51 H new ATOM 0 HH2 TRP A2027 2.589 -3.749 0.519 1.00 52.22 H new ATOM 261 N HIS A2028 -6.858 -4.118 -0.523 1.00 73.15 N ATOM 262 CA HIS A2028 -8.029 -3.597 -1.207 1.00 51.01 C ATOM 263 C HIS A2028 -8.826 -2.704 -0.251 1.00 30.33 C ATOM 264 O HIS A2028 -9.044 -1.527 -0.533 1.00 12.35 O ATOM 265 CB HIS A2028 -8.867 -4.734 -1.794 1.00 33.22 C ATOM 266 CG HIS A2028 -10.358 -4.506 -1.707 1.00 64.25 C ATOM 267 ND1 HIS A2028 -11.100 -3.991 -2.758 1.00 1.31 N ATOM 268 CD2 HIS A2028 -11.237 -4.727 -0.689 1.00 75.41 C ATOM 269 CE1 HIS A2028 -12.365 -3.911 -2.377 1.00 72.14 C ATOM 270 NE2 HIS A2028 -12.449 -4.367 -1.094 1.00 51.41 N ATOM 0 H HIS A2028 -6.867 -5.126 -0.368 1.00 73.15 H new ATOM 0 HA HIS A2028 -7.718 -2.981 -2.051 1.00 51.01 H new ATOM 0 HB2 HIS A2028 -8.591 -4.873 -2.839 1.00 33.22 H new ATOM 0 HB3 HIS A2028 -8.620 -5.660 -1.274 1.00 33.22 H new ATOM 0 HD2 HIS A2028 -10.989 -5.127 0.283 1.00 75.41 H new ATOM 0 HE1 HIS A2028 -13.187 -3.548 -2.977 1.00 72.14 H new ATOM 0 HE2 HIS A2028 -13.302 -4.422 -0.538 1.00 51.41 H new ATOM 279 N GLU A2029 -9.241 -3.302 0.857 1.00 2.22 N ATOM 280 CA GLU A2029 -10.007 -2.576 1.855 1.00 44.33 C ATOM 281 C GLU A2029 -9.175 -1.431 2.436 1.00 33.42 C ATOM 282 O GLU A2029 -9.669 -0.315 2.590 1.00 71.42 O ATOM 283 CB GLU A2029 -10.496 -3.513 2.959 1.00 31.53 C ATOM 284 CG GLU A2029 -10.375 -2.854 4.334 1.00 64.25 C ATOM 285 CD GLU A2029 -11.254 -3.567 5.364 1.00 15.33 C ATOM 286 OE1 GLU A2029 -11.088 -4.775 5.590 1.00 13.31 O ATOM 287 OE2 GLU A2029 -12.134 -2.821 5.941 1.00 52.42 O ATOM 0 H GLU A2029 -9.061 -4.280 1.085 1.00 2.22 H new ATOM 0 HA GLU A2029 -10.885 -2.150 1.370 1.00 44.33 H new ATOM 0 HB2 GLU A2029 -11.535 -3.787 2.774 1.00 31.53 H new ATOM 0 HB3 GLU A2029 -9.915 -4.435 2.942 1.00 31.53 H new ATOM 0 HG2 GLU A2029 -9.335 -2.875 4.661 1.00 64.25 H new ATOM 0 HG3 GLU A2029 -10.666 -1.806 4.266 1.00 64.25 H new ATOM 295 N GLY A2030 -7.926 -1.748 2.743 1.00 10.32 N ATOM 296 CA GLY A2030 -7.020 -0.759 3.304 1.00 12.14 C ATOM 297 C GLY A2030 -6.985 0.504 2.443 1.00 61.05 C ATOM 298 O GLY A2030 -7.385 1.578 2.891 1.00 21.20 O ATOM 0 H GLY A2030 -7.520 -2.675 2.614 1.00 10.32 H new ATOM 0 HA2 GLY A2030 -7.335 -0.505 4.316 1.00 12.14 H new ATOM 0 HA3 GLY A2030 -6.017 -1.180 3.379 1.00 12.14 H new ATOM 302 N LEU A2031 -6.500 0.334 1.221 1.00 62.25 N ATOM 303 CA LEU A2031 -6.407 1.448 0.292 1.00 61.31 C ATOM 304 C LEU A2031 -7.799 2.050 0.083 1.00 11.44 C ATOM 305 O LEU A2031 -7.928 3.245 -0.180 1.00 43.50 O ATOM 306 CB LEU A2031 -5.727 1.007 -1.006 1.00 70.14 C ATOM 307 CG LEU A2031 -4.719 1.991 -1.603 1.00 40.25 C ATOM 308 CD1 LEU A2031 -3.755 2.504 -0.533 1.00 55.34 C ATOM 309 CD2 LEU A2031 -3.980 1.367 -2.789 1.00 12.41 C ATOM 0 H LEU A2031 -6.168 -0.557 0.853 1.00 62.25 H new ATOM 0 HA LEU A2031 -5.777 2.236 0.704 1.00 61.31 H new ATOM 0 HB2 LEU A2031 -5.217 0.061 -0.822 1.00 70.14 H new ATOM 0 HB3 LEU A2031 -6.500 0.813 -1.750 1.00 70.14 H new ATOM 0 HG LEU A2031 -5.267 2.853 -1.983 1.00 40.25 H new ATOM 0 HD11 LEU A2031 -3.049 3.202 -0.984 1.00 55.34 H new ATOM 0 HD12 LEU A2031 -4.318 3.012 0.250 1.00 55.34 H new ATOM 0 HD13 LEU A2031 -3.210 1.664 -0.102 1.00 55.34 H new ATOM 0 HD21 LEU A2031 -3.270 2.087 -3.195 1.00 12.41 H new ATOM 0 HD22 LEU A2031 -3.445 0.477 -2.457 1.00 12.41 H new ATOM 0 HD23 LEU A2031 -4.698 1.091 -3.561 1.00 12.41 H new ATOM 321 N GLU A2032 -8.803 1.196 0.209 1.00 43.20 N ATOM 322 CA GLU A2032 -10.178 1.629 0.037 1.00 61.12 C ATOM 323 C GLU A2032 -10.474 2.830 0.939 1.00 62.22 C ATOM 324 O GLU A2032 -10.966 3.855 0.472 1.00 52.03 O ATOM 325 CB GLU A2032 -11.153 0.482 0.314 1.00 21.24 C ATOM 326 CG GLU A2032 -12.044 0.215 -0.901 1.00 61.33 C ATOM 327 CD GLU A2032 -12.783 1.484 -1.329 1.00 44.14 C ATOM 328 OE1 GLU A2032 -13.504 2.086 -0.521 1.00 62.31 O ATOM 329 OE2 GLU A2032 -12.583 1.844 -2.553 1.00 3.00 O ATOM 0 H GLU A2032 -8.692 0.206 0.428 1.00 43.20 H new ATOM 0 HA GLU A2032 -10.314 1.936 -1.000 1.00 61.12 H new ATOM 0 HB2 GLU A2032 -10.596 -0.420 0.567 1.00 21.24 H new ATOM 0 HB3 GLU A2032 -11.772 0.727 1.177 1.00 21.24 H new ATOM 0 HG2 GLU A2032 -11.437 -0.153 -1.728 1.00 61.33 H new ATOM 0 HG3 GLU A2032 -12.765 -0.567 -0.663 1.00 61.33 H new ATOM 337 N GLU A2033 -10.162 2.660 2.215 1.00 11.32 N ATOM 338 CA GLU A2033 -10.388 3.717 3.187 1.00 24.15 C ATOM 339 C GLU A2033 -9.370 4.841 2.994 1.00 64.14 C ATOM 340 O GLU A2033 -9.740 6.010 2.891 1.00 74.43 O ATOM 341 CB GLU A2033 -10.336 3.168 4.615 1.00 50.11 C ATOM 342 CG GLU A2033 -11.361 3.870 5.509 1.00 25.21 C ATOM 343 CD GLU A2033 -11.787 2.966 6.666 1.00 74.53 C ATOM 344 OE1 GLU A2033 -11.768 1.734 6.531 1.00 73.45 O ATOM 345 OE2 GLU A2033 -12.151 3.587 7.737 1.00 15.13 O ATOM 0 H GLU A2033 -9.755 1.807 2.599 1.00 11.32 H new ATOM 0 HA GLU A2033 -11.386 4.126 3.026 1.00 24.15 H new ATOM 0 HB2 GLU A2033 -10.532 2.096 4.604 1.00 50.11 H new ATOM 0 HB3 GLU A2033 -9.336 3.305 5.025 1.00 50.11 H new ATOM 0 HG2 GLU A2033 -10.935 4.793 5.902 1.00 25.21 H new ATOM 0 HG3 GLU A2033 -12.234 4.148 4.919 1.00 25.21 H new ATOM 353 N ALA A2034 -8.103 4.451 2.950 1.00 24.33 N ATOM 354 CA ALA A2034 -7.029 5.411 2.772 1.00 3.43 C ATOM 355 C ALA A2034 -7.311 6.258 1.529 1.00 1.54 C ATOM 356 O ALA A2034 -7.237 7.485 1.581 1.00 60.10 O ATOM 357 CB ALA A2034 -5.692 4.671 2.684 1.00 51.43 C ATOM 0 H ALA A2034 -7.798 3.481 3.035 1.00 24.33 H new ATOM 0 HA ALA A2034 -6.971 6.087 3.625 1.00 3.43 H new ATOM 0 HB1 ALA A2034 -4.885 5.392 2.550 1.00 51.43 H new ATOM 0 HB2 ALA A2034 -5.527 4.108 3.602 1.00 51.43 H new ATOM 0 HB3 ALA A2034 -5.710 3.986 1.836 1.00 51.43 H new ATOM 363 N SER A2035 -7.623 5.570 0.440 1.00 35.01 N ATOM 364 CA SER A2035 -7.915 6.244 -0.812 1.00 5.11 C ATOM 365 C SER A2035 -9.134 7.151 -0.648 1.00 73.40 C ATOM 366 O SER A2035 -9.149 8.276 -1.145 1.00 2.33 O ATOM 367 CB SER A2035 -8.152 5.235 -1.938 1.00 65.13 C ATOM 368 OG SER A2035 -8.238 5.867 -3.213 1.00 62.11 O ATOM 0 H SER A2035 -7.680 4.552 0.400 1.00 35.01 H new ATOM 0 HA SER A2035 -7.052 6.853 -1.081 1.00 5.11 H new ATOM 0 HB2 SER A2035 -7.341 4.507 -1.949 1.00 65.13 H new ATOM 0 HB3 SER A2035 -9.072 4.685 -1.744 1.00 65.13 H new ATOM 0 HG SER A2035 -7.633 6.638 -3.238 1.00 62.11 H new ATOM 374 N ARG A2036 -10.131 6.628 0.052 1.00 11.11 N ATOM 375 CA ARG A2036 -11.353 7.378 0.290 1.00 53.11 C ATOM 376 C ARG A2036 -11.033 8.725 0.940 1.00 73.23 C ATOM 377 O ARG A2036 -11.676 9.729 0.646 1.00 35.33 O ATOM 378 CB ARG A2036 -12.312 6.597 1.192 1.00 14.21 C ATOM 379 CG ARG A2036 -13.716 7.207 1.158 1.00 12.32 C ATOM 380 CD ARG A2036 -14.660 6.458 2.100 1.00 13.33 C ATOM 381 NE ARG A2036 -15.895 7.245 2.308 1.00 53.41 N ATOM 382 CZ ARG A2036 -16.964 7.209 1.486 1.00 61.43 C ATOM 383 NH1 ARG A2036 -16.958 6.422 0.388 1.00 35.45 N ATOM 384 NH2 ARG A2036 -18.016 7.955 1.769 1.00 63.10 N ATOM 0 H ARG A2036 -10.117 5.694 0.462 1.00 11.11 H new ATOM 0 HA ARG A2036 -11.833 7.543 -0.674 1.00 53.11 H new ATOM 0 HB2 ARG A2036 -12.355 5.557 0.869 1.00 14.21 H new ATOM 0 HB3 ARG A2036 -11.936 6.597 2.215 1.00 14.21 H new ATOM 0 HG2 ARG A2036 -13.667 8.257 1.445 1.00 12.32 H new ATOM 0 HG3 ARG A2036 -14.107 7.172 0.141 1.00 12.32 H new ATOM 0 HD2 ARG A2036 -14.907 5.482 1.681 1.00 13.33 H new ATOM 0 HD3 ARG A2036 -14.167 6.279 3.056 1.00 13.33 H new ATOM 0 HE ARG A2036 -15.941 7.854 3.125 1.00 53.41 H new ATOM 0 HH11 ARG A2036 -16.141 5.849 0.175 1.00 35.45 H new ATOM 0 HH12 ARG A2036 -17.770 6.400 -0.228 1.00 35.45 H new ATOM 0 HH21 ARG A2036 -18.013 8.547 2.599 1.00 63.10 H new ATOM 0 HH22 ARG A2036 -18.832 7.939 1.157 1.00 63.10 H new ATOM 396 N LEU A2037 -10.036 8.701 1.814 1.00 74.32 N ATOM 397 CA LEU A2037 -9.622 9.907 2.510 1.00 72.52 C ATOM 398 C LEU A2037 -8.913 10.840 1.527 1.00 43.33 C ATOM 399 O LEU A2037 -9.101 12.054 1.571 1.00 31.21 O ATOM 400 CB LEU A2037 -8.784 9.555 3.740 1.00 61.25 C ATOM 401 CG LEU A2037 -9.483 8.720 4.814 1.00 30.43 C ATOM 402 CD1 LEU A2037 -8.511 7.735 5.463 1.00 3.45 C ATOM 403 CD2 LEU A2037 -10.168 9.616 5.848 1.00 12.44 C ATOM 0 H LEU A2037 -9.504 7.865 2.055 1.00 74.32 H new ATOM 0 HA LEU A2037 -10.490 10.445 2.890 1.00 72.52 H new ATOM 0 HB2 LEU A2037 -7.898 9.014 3.408 1.00 61.25 H new ATOM 0 HB3 LEU A2037 -8.439 10.482 4.197 1.00 61.25 H new ATOM 0 HG LEU A2037 -10.263 8.131 4.332 1.00 30.43 H new ATOM 0 HD11 LEU A2037 -9.034 7.154 6.223 1.00 3.45 H new ATOM 0 HD12 LEU A2037 -8.113 7.063 4.703 1.00 3.45 H new ATOM 0 HD13 LEU A2037 -7.692 8.284 5.927 1.00 3.45 H new ATOM 0 HD21 LEU A2037 -10.657 8.996 6.600 1.00 12.44 H new ATOM 0 HD22 LEU A2037 -9.424 10.251 6.329 1.00 12.44 H new ATOM 0 HD23 LEU A2037 -10.912 10.240 5.353 1.00 12.44 H new ATOM 415 N TYR A2038 -8.112 10.235 0.662 1.00 15.53 N ATOM 416 CA TYR A2038 -7.372 10.996 -0.330 1.00 3.23 C ATOM 417 C TYR A2038 -8.290 11.463 -1.460 1.00 72.53 C ATOM 418 O TYR A2038 -8.382 12.658 -1.737 1.00 12.42 O ATOM 419 CB TYR A2038 -6.326 10.037 -0.903 1.00 0.41 C ATOM 420 CG TYR A2038 -5.329 10.700 -1.858 1.00 55.15 C ATOM 421 CD1 TYR A2038 -4.452 11.654 -1.385 1.00 3.02 C ATOM 422 CD2 TYR A2038 -5.311 10.344 -3.190 1.00 61.24 C ATOM 423 CE1 TYR A2038 -3.515 12.277 -2.283 1.00 54.31 C ATOM 424 CE2 TYR A2038 -4.374 10.969 -4.089 1.00 5.23 C ATOM 425 CZ TYR A2038 -3.522 11.905 -3.591 1.00 72.23 C ATOM 426 OH TYR A2038 -2.639 12.492 -4.439 1.00 44.31 O ATOM 0 H TYR A2038 -7.959 9.227 0.628 1.00 15.53 H new ATOM 0 HA TYR A2038 -6.925 11.882 0.121 1.00 3.23 H new ATOM 0 HB2 TYR A2038 -5.776 9.581 -0.079 1.00 0.41 H new ATOM 0 HB3 TYR A2038 -6.837 9.231 -1.430 1.00 0.41 H new ATOM 0 HD1 TYR A2038 -4.468 11.933 -0.342 1.00 3.02 H new ATOM 0 HD2 TYR A2038 -5.999 9.597 -3.559 1.00 61.24 H new ATOM 0 HE1 TYR A2038 -2.821 13.024 -1.926 1.00 54.31 H new ATOM 0 HE2 TYR A2038 -4.349 10.700 -5.135 1.00 5.23 H new ATOM 0 HH TYR A2038 -2.759 12.127 -5.340 1.00 44.31 H new ATOM 436 N PHE A2039 -8.948 10.496 -2.081 1.00 64.33 N ATOM 437 CA PHE A2039 -9.859 10.793 -3.176 1.00 50.22 C ATOM 438 C PHE A2039 -11.160 11.408 -2.655 1.00 52.31 C ATOM 439 O PHE A2039 -11.630 12.415 -3.183 1.00 44.35 O ATOM 440 CB PHE A2039 -10.176 9.467 -3.867 1.00 23.14 C ATOM 441 CG PHE A2039 -9.032 8.924 -4.726 1.00 12.13 C ATOM 442 CD1 PHE A2039 -7.941 8.367 -4.134 1.00 63.20 C ATOM 443 CD2 PHE A2039 -9.106 8.996 -6.082 1.00 2.20 C ATOM 444 CE1 PHE A2039 -6.881 7.862 -4.931 1.00 12.32 C ATOM 445 CE2 PHE A2039 -8.044 8.492 -6.879 1.00 34.43 C ATOM 446 CZ PHE A2039 -6.954 7.935 -6.286 1.00 1.30 C ATOM 0 H PHE A2039 -8.870 9.506 -1.848 1.00 64.33 H new ATOM 0 HA PHE A2039 -9.399 11.507 -3.859 1.00 50.22 H new ATOM 0 HB2 PHE A2039 -10.431 8.726 -3.109 1.00 23.14 H new ATOM 0 HB3 PHE A2039 -11.058 9.598 -4.495 1.00 23.14 H new ATOM 0 HD1 PHE A2039 -7.882 8.309 -3.057 1.00 63.20 H new ATOM 0 HD2 PHE A2039 -9.972 9.436 -6.553 1.00 2.20 H new ATOM 0 HE1 PHE A2039 -6.016 7.419 -4.460 1.00 12.32 H new ATOM 0 HE2 PHE A2039 -8.102 8.551 -7.956 1.00 34.43 H new ATOM 0 HZ PHE A2039 -6.147 7.551 -6.892 1.00 1.30 H new ATOM 456 N GLY A2040 -11.704 10.775 -1.627 1.00 10.21 N ATOM 457 CA GLY A2040 -12.942 11.248 -1.029 1.00 64.22 C ATOM 458 C GLY A2040 -12.686 12.435 -0.100 1.00 63.04 C ATOM 459 O GLY A2040 -13.620 12.997 0.468 1.00 54.40 O ATOM 0 H GLY A2040 -11.312 9.940 -1.193 1.00 10.21 H new ATOM 0 HA2 GLY A2040 -13.640 11.540 -1.814 1.00 64.22 H new ATOM 0 HA3 GLY A2040 -13.412 10.439 -0.470 1.00 64.22 H new ATOM 463 N GLU A2041 -11.412 12.783 0.026 1.00 45.02 N ATOM 464 CA GLU A2041 -11.020 13.893 0.877 1.00 63.15 C ATOM 465 C GLU A2041 -11.448 13.632 2.321 1.00 13.43 C ATOM 466 O GLU A2041 -12.515 13.072 2.566 1.00 53.32 O ATOM 467 CB GLU A2041 -11.604 15.211 0.360 1.00 30.35 C ATOM 468 CG GLU A2041 -11.765 16.221 1.498 1.00 34.41 C ATOM 469 CD GLU A2041 -11.971 17.634 0.950 1.00 72.24 C ATOM 470 OE1 GLU A2041 -12.740 17.824 -0.004 1.00 2.04 O ATOM 471 OE2 GLU A2041 -11.301 18.557 1.554 1.00 5.54 O ATOM 0 H GLU A2041 -10.639 12.315 -0.447 1.00 45.02 H new ATOM 0 HA GLU A2041 -9.934 13.980 0.852 1.00 63.15 H new ATOM 0 HB2 GLU A2041 -10.952 15.625 -0.409 1.00 30.35 H new ATOM 0 HB3 GLU A2041 -12.571 15.026 -0.107 1.00 30.35 H new ATOM 0 HG2 GLU A2041 -12.615 15.941 2.120 1.00 34.41 H new ATOM 0 HG3 GLU A2041 -10.882 16.200 2.136 1.00 34.41 H new ATOM 479 N ARG A2042 -10.591 14.050 3.243 1.00 44.45 N ATOM 480 CA ARG A2042 -10.867 13.868 4.657 1.00 51.34 C ATOM 481 C ARG A2042 -9.648 14.268 5.491 1.00 11.40 C ATOM 482 O ARG A2042 -9.740 15.140 6.353 1.00 75.23 O ATOM 483 CB ARG A2042 -11.234 12.415 4.965 1.00 13.22 C ATOM 484 CG ARG A2042 -12.031 12.314 6.267 1.00 4.41 C ATOM 485 CD ARG A2042 -11.595 13.392 7.262 1.00 60.32 C ATOM 486 NE ARG A2042 -12.395 13.289 8.503 1.00 1.41 N ATOM 487 CZ ARG A2042 -13.664 13.732 8.625 1.00 1.31 C ATOM 488 NH1 ARG A2042 -14.289 14.316 7.581 1.00 24.35 N ATOM 489 NH2 ARG A2042 -14.284 13.588 9.782 1.00 12.43 N ATOM 0 H ARG A2042 -9.706 14.514 3.037 1.00 44.45 H new ATOM 0 HA ARG A2042 -11.713 14.506 4.915 1.00 51.34 H new ATOM 0 HB2 ARG A2042 -11.819 12.002 4.143 1.00 13.22 H new ATOM 0 HB3 ARG A2042 -10.327 11.816 5.043 1.00 13.22 H new ATOM 0 HG2 ARG A2042 -13.095 12.419 6.055 1.00 4.41 H new ATOM 0 HG3 ARG A2042 -11.889 11.328 6.709 1.00 4.41 H new ATOM 0 HD2 ARG A2042 -10.536 13.279 7.492 1.00 60.32 H new ATOM 0 HD3 ARG A2042 -11.721 14.380 6.819 1.00 60.32 H new ATOM 0 HE ARG A2042 -11.960 12.856 9.317 1.00 1.41 H new ATOM 0 HH11 ARG A2042 -13.802 14.425 6.691 1.00 24.35 H new ATOM 0 HH12 ARG A2042 -15.248 14.648 7.682 1.00 24.35 H new ATOM 0 HH21 ARG A2042 -13.804 13.147 10.567 1.00 12.43 H new ATOM 0 HH22 ARG A2042 -15.243 13.917 9.891 1.00 12.43 H new ATOM 501 N ASN A2043 -8.533 13.610 5.206 1.00 71.43 N ATOM 502 CA ASN A2043 -7.298 13.886 5.918 1.00 75.14 C ATOM 503 C ASN A2043 -6.258 12.824 5.557 1.00 63.24 C ATOM 504 O ASN A2043 -6.379 11.669 5.963 1.00 72.23 O ATOM 505 CB ASN A2043 -7.514 13.842 7.431 1.00 5.11 C ATOM 506 CG ASN A2043 -6.794 15.002 8.122 1.00 51.32 C ATOM 507 OD1 ASN A2043 -7.259 15.560 9.102 1.00 73.55 O ATOM 508 ND2 ASN A2043 -5.636 15.332 7.559 1.00 43.24 N ATOM 0 H ASN A2043 -8.460 12.886 4.491 1.00 71.43 H new ATOM 0 HA ASN A2043 -6.958 14.881 5.631 1.00 75.14 H new ATOM 0 HB2 ASN A2043 -8.581 13.889 7.651 1.00 5.11 H new ATOM 0 HB3 ASN A2043 -7.148 12.895 7.827 1.00 5.11 H new ATOM 0 HD21 ASN A2043 -5.079 16.094 7.947 1.00 43.24 H new ATOM 0 HD22 ASN A2043 -5.304 14.824 6.739 1.00 43.24 H new ATOM 515 N VAL A2044 -5.260 13.252 4.798 1.00 40.14 N ATOM 516 CA VAL A2044 -4.200 12.352 4.377 1.00 14.34 C ATOM 517 C VAL A2044 -3.720 11.538 5.582 1.00 71.34 C ATOM 518 O VAL A2044 -3.308 10.388 5.434 1.00 54.34 O ATOM 519 CB VAL A2044 -3.076 13.143 3.706 1.00 61.45 C ATOM 520 CG1 VAL A2044 -1.731 12.435 3.870 1.00 52.11 C ATOM 521 CG2 VAL A2044 -3.389 13.392 2.229 1.00 21.24 C ATOM 0 H VAL A2044 -5.163 14.211 4.464 1.00 40.14 H new ATOM 0 HA VAL A2044 -4.571 11.647 3.633 1.00 14.34 H new ATOM 0 HB VAL A2044 -3.005 14.111 4.202 1.00 61.45 H new ATOM 0 HG11 VAL A2044 -0.950 13.020 3.383 1.00 52.11 H new ATOM 0 HG12 VAL A2044 -1.500 12.333 4.930 1.00 52.11 H new ATOM 0 HG13 VAL A2044 -1.782 11.447 3.413 1.00 52.11 H new ATOM 0 HG21 VAL A2044 -2.575 13.956 1.775 1.00 21.24 H new ATOM 0 HG22 VAL A2044 -3.500 12.437 1.715 1.00 21.24 H new ATOM 0 HG23 VAL A2044 -4.315 13.960 2.144 1.00 21.24 H new ATOM 531 N LYS A2045 -3.792 12.167 6.745 1.00 54.44 N ATOM 532 CA LYS A2045 -3.369 11.515 7.974 1.00 21.12 C ATOM 533 C LYS A2045 -4.126 10.196 8.132 1.00 21.35 C ATOM 534 O LYS A2045 -3.580 9.221 8.648 1.00 24.32 O ATOM 535 CB LYS A2045 -3.530 12.462 9.165 1.00 11.32 C ATOM 536 CG LYS A2045 -5.006 12.652 9.520 1.00 75.44 C ATOM 537 CD LYS A2045 -5.308 12.118 10.921 1.00 22.24 C ATOM 538 CE LYS A2045 -6.055 13.158 11.756 1.00 34.44 C ATOM 539 NZ LYS A2045 -6.696 12.519 12.927 1.00 35.13 N ATOM 0 H LYS A2045 -4.136 13.120 6.863 1.00 54.44 H new ATOM 0 HA LYS A2045 -2.307 11.271 7.930 1.00 21.12 H new ATOM 0 HB2 LYS A2045 -2.994 12.063 10.026 1.00 11.32 H new ATOM 0 HB3 LYS A2045 -3.082 13.427 8.930 1.00 11.32 H new ATOM 0 HG2 LYS A2045 -5.263 13.710 9.468 1.00 75.44 H new ATOM 0 HG3 LYS A2045 -5.629 12.136 8.789 1.00 75.44 H new ATOM 0 HD2 LYS A2045 -5.905 11.209 10.846 1.00 22.24 H new ATOM 0 HD3 LYS A2045 -4.377 11.847 11.419 1.00 22.24 H new ATOM 0 HE2 LYS A2045 -5.362 13.931 12.090 1.00 34.44 H new ATOM 0 HE3 LYS A2045 -6.811 13.650 11.144 1.00 34.44 H new ATOM 0 HZ1 LYS A2045 -7.199 13.239 13.483 1.00 35.13 H new ATOM 0 HZ2 LYS A2045 -7.372 11.798 12.602 1.00 35.13 H new ATOM 0 HZ3 LYS A2045 -5.968 12.070 13.519 1.00 35.13 H new ATOM 552 N GLY A2046 -5.370 10.205 7.678 1.00 73.31 N ATOM 553 CA GLY A2046 -6.208 9.020 7.762 1.00 32.20 C ATOM 554 C GLY A2046 -5.555 7.836 7.047 1.00 14.53 C ATOM 555 O GLY A2046 -5.366 6.775 7.640 1.00 74.14 O ATOM 0 H GLY A2046 -5.819 11.015 7.250 1.00 73.31 H new ATOM 0 HA2 GLY A2046 -6.382 8.767 8.808 1.00 32.20 H new ATOM 0 HA3 GLY A2046 -7.182 9.226 7.317 1.00 32.20 H new ATOM 559 N MET A2047 -5.228 8.056 5.783 1.00 13.32 N ATOM 560 CA MET A2047 -4.599 7.022 4.980 1.00 32.34 C ATOM 561 C MET A2047 -3.334 6.492 5.659 1.00 74.30 C ATOM 562 O MET A2047 -3.200 5.289 5.877 1.00 12.52 O ATOM 563 CB MET A2047 -4.242 7.586 3.605 1.00 52.23 C ATOM 564 CG MET A2047 -3.132 6.766 2.946 1.00 24.32 C ATOM 565 SD MET A2047 -2.512 7.621 1.507 1.00 65.44 S ATOM 566 CE MET A2047 -1.755 9.035 2.289 1.00 4.41 C ATOM 0 H MET A2047 -5.387 8.937 5.294 1.00 13.32 H new ATOM 0 HA MET A2047 -5.303 6.197 4.871 1.00 32.34 H new ATOM 0 HB2 MET A2047 -5.126 7.586 2.968 1.00 52.23 H new ATOM 0 HB3 MET A2047 -3.922 8.623 3.706 1.00 52.23 H new ATOM 0 HG2 MET A2047 -2.322 6.598 3.656 1.00 24.32 H new ATOM 0 HG3 MET A2047 -3.514 5.786 2.660 1.00 24.32 H new ATOM 0 HE1 MET A2047 -2.315 9.935 2.034 1.00 4.41 H new ATOM 0 HE2 MET A2047 -1.760 8.899 3.370 1.00 4.41 H new ATOM 0 HE3 MET A2047 -0.727 9.136 1.941 1.00 4.41 H new ATOM 576 N PHE A2048 -2.440 7.417 5.974 1.00 13.30 N ATOM 577 CA PHE A2048 -1.190 7.059 6.624 1.00 35.12 C ATOM 578 C PHE A2048 -1.445 6.215 7.874 1.00 25.35 C ATOM 579 O PHE A2048 -0.684 5.294 8.171 1.00 14.20 O ATOM 580 CB PHE A2048 -0.512 8.367 7.038 1.00 33.30 C ATOM 581 CG PHE A2048 0.157 9.113 5.882 1.00 51.05 C ATOM 582 CD1 PHE A2048 0.844 8.424 4.933 1.00 3.03 C ATOM 583 CD2 PHE A2048 0.064 10.468 5.803 1.00 34.11 C ATOM 584 CE1 PHE A2048 1.464 9.116 3.860 1.00 70.42 C ATOM 585 CE2 PHE A2048 0.684 11.162 4.730 1.00 61.43 C ATOM 586 CZ PHE A2048 1.370 10.471 3.781 1.00 13.53 C ATOM 0 H PHE A2048 -2.556 8.414 5.792 1.00 13.30 H new ATOM 0 HA PHE A2048 -0.570 6.475 5.943 1.00 35.12 H new ATOM 0 HB2 PHE A2048 -1.254 9.020 7.497 1.00 33.30 H new ATOM 0 HB3 PHE A2048 0.237 8.151 7.800 1.00 33.30 H new ATOM 0 HD1 PHE A2048 0.918 7.348 4.995 1.00 3.03 H new ATOM 0 HD2 PHE A2048 -0.482 11.016 6.557 1.00 34.11 H new ATOM 0 HE1 PHE A2048 2.010 8.567 3.107 1.00 70.42 H new ATOM 0 HE2 PHE A2048 0.611 12.238 4.668 1.00 61.43 H new ATOM 0 HZ PHE A2048 1.841 10.998 2.964 1.00 13.53 H new ATOM 596 N GLU A2049 -2.517 6.555 8.571 1.00 22.33 N ATOM 597 CA GLU A2049 -2.881 5.838 9.782 1.00 61.31 C ATOM 598 C GLU A2049 -3.521 4.494 9.430 1.00 5.32 C ATOM 599 O GLU A2049 -3.627 3.611 10.281 1.00 30.23 O ATOM 600 CB GLU A2049 -3.816 6.676 10.657 1.00 73.25 C ATOM 601 CG GLU A2049 -3.165 8.006 11.037 1.00 42.55 C ATOM 602 CD GLU A2049 -4.222 9.073 11.328 1.00 34.25 C ATOM 603 OE1 GLU A2049 -5.263 9.113 10.656 1.00 63.22 O ATOM 604 OE2 GLU A2049 -3.933 9.879 12.293 1.00 32.41 O ATOM 0 H GLU A2049 -3.147 7.318 8.321 1.00 22.33 H new ATOM 0 HA GLU A2049 -1.973 5.649 10.355 1.00 61.31 H new ATOM 0 HB2 GLU A2049 -4.748 6.863 10.124 1.00 73.25 H new ATOM 0 HB3 GLU A2049 -4.070 6.120 11.560 1.00 73.25 H new ATOM 0 HG2 GLU A2049 -2.533 7.867 11.914 1.00 42.55 H new ATOM 0 HG3 GLU A2049 -2.518 8.342 10.227 1.00 42.55 H new ATOM 612 N VAL A2050 -3.928 4.377 8.175 1.00 41.02 N ATOM 613 CA VAL A2050 -4.553 3.154 7.701 1.00 52.14 C ATOM 614 C VAL A2050 -3.468 2.172 7.253 1.00 34.13 C ATOM 615 O VAL A2050 -3.551 0.978 7.536 1.00 20.32 O ATOM 616 CB VAL A2050 -5.559 3.476 6.595 1.00 41.15 C ATOM 617 CG1 VAL A2050 -5.746 2.281 5.658 1.00 71.03 C ATOM 618 CG2 VAL A2050 -6.897 3.925 7.184 1.00 32.50 C ATOM 0 H VAL A2050 -3.837 5.110 7.471 1.00 41.02 H new ATOM 0 HA VAL A2050 -5.114 2.676 8.504 1.00 52.14 H new ATOM 0 HB VAL A2050 -5.157 4.302 6.008 1.00 41.15 H new ATOM 0 HG11 VAL A2050 -6.466 2.537 4.881 1.00 71.03 H new ATOM 0 HG12 VAL A2050 -4.791 2.026 5.198 1.00 71.03 H new ATOM 0 HG13 VAL A2050 -6.114 1.427 6.227 1.00 71.03 H new ATOM 0 HG21 VAL A2050 -7.594 4.148 6.376 1.00 32.50 H new ATOM 0 HG22 VAL A2050 -7.306 3.129 7.807 1.00 32.50 H new ATOM 0 HG23 VAL A2050 -6.746 4.819 7.790 1.00 32.50 H new ATOM 628 N LEU A2051 -2.473 2.712 6.564 1.00 24.22 N ATOM 629 CA LEU A2051 -1.373 1.899 6.076 1.00 3.04 C ATOM 630 C LEU A2051 -0.409 1.607 7.228 1.00 50.02 C ATOM 631 O LEU A2051 0.043 0.476 7.395 1.00 31.43 O ATOM 632 CB LEU A2051 -0.707 2.564 4.871 1.00 64.43 C ATOM 633 CG LEU A2051 -1.543 3.617 4.139 1.00 31.31 C ATOM 634 CD1 LEU A2051 -0.883 4.024 2.822 1.00 22.01 C ATOM 635 CD2 LEU A2051 -2.979 3.131 3.933 1.00 31.23 C ATOM 0 H LEU A2051 -2.406 3.703 6.332 1.00 24.22 H new ATOM 0 HA LEU A2051 -1.741 0.938 5.717 1.00 3.04 H new ATOM 0 HB2 LEU A2051 0.219 3.032 5.205 1.00 64.43 H new ATOM 0 HB3 LEU A2051 -0.432 1.787 4.158 1.00 64.43 H new ATOM 0 HG LEU A2051 -1.590 4.509 4.764 1.00 31.31 H new ATOM 0 HD11 LEU A2051 -1.498 4.773 2.323 1.00 22.01 H new ATOM 0 HD12 LEU A2051 0.104 4.440 3.023 1.00 22.01 H new ATOM 0 HD13 LEU A2051 -0.784 3.149 2.179 1.00 22.01 H new ATOM 0 HD21 LEU A2051 -3.551 3.898 3.411 1.00 31.23 H new ATOM 0 HD22 LEU A2051 -2.972 2.217 3.340 1.00 31.23 H new ATOM 0 HD23 LEU A2051 -3.438 2.932 4.901 1.00 31.23 H new ATOM 647 N GLU A2052 -0.121 2.651 7.993 1.00 75.31 N ATOM 648 CA GLU A2052 0.780 2.522 9.125 1.00 15.24 C ATOM 649 C GLU A2052 0.572 1.174 9.821 1.00 43.31 C ATOM 650 O GLU A2052 1.519 0.407 9.992 1.00 33.31 O ATOM 651 CB GLU A2052 0.596 3.679 10.109 1.00 33.21 C ATOM 652 CG GLU A2052 1.786 4.641 10.052 1.00 35.02 C ATOM 653 CD GLU A2052 1.349 6.022 9.561 1.00 42.24 C ATOM 654 OE1 GLU A2052 1.557 6.356 8.383 1.00 33.44 O ATOM 655 OE2 GLU A2052 0.775 6.762 10.447 1.00 11.24 O ATOM 0 H GLU A2052 -0.496 3.589 7.851 1.00 75.31 H new ATOM 0 HA GLU A2052 1.804 2.563 8.753 1.00 15.24 H new ATOM 0 HB2 GLU A2052 -0.323 4.217 9.876 1.00 33.21 H new ATOM 0 HB3 GLU A2052 0.488 3.287 11.121 1.00 33.21 H new ATOM 0 HG2 GLU A2052 2.236 4.728 11.041 1.00 35.02 H new ATOM 0 HG3 GLU A2052 2.551 4.240 9.388 1.00 35.02 H new ATOM 663 N PRO A2053 -0.706 0.919 10.210 1.00 14.35 N ATOM 664 CA PRO A2053 -1.050 -0.322 10.882 1.00 41.45 C ATOM 665 C PRO A2053 -1.083 -1.489 9.893 1.00 34.12 C ATOM 666 O PRO A2053 -0.459 -2.523 10.126 1.00 14.14 O ATOM 667 CB PRO A2053 -2.398 -0.055 11.533 1.00 22.35 C ATOM 668 CG PRO A2053 -2.973 1.158 10.820 1.00 2.24 C ATOM 669 CD PRO A2053 -1.851 1.805 10.023 1.00 51.14 C ATOM 0 HA PRO A2053 -0.313 -0.615 11.630 1.00 41.45 H new ATOM 0 HB2 PRO A2053 -3.058 -0.917 11.432 1.00 22.35 H new ATOM 0 HB3 PRO A2053 -2.285 0.136 12.600 1.00 22.35 H new ATOM 0 HG2 PRO A2053 -3.789 0.862 10.160 1.00 2.24 H new ATOM 0 HG3 PRO A2053 -3.386 1.864 11.540 1.00 2.24 H new ATOM 0 HD2 PRO A2053 -2.114 1.895 8.969 1.00 51.14 H new ATOM 0 HD3 PRO A2053 -1.637 2.811 10.385 1.00 51.14 H new ATOM 677 N LEU A2054 -1.818 -1.284 8.810 1.00 52.14 N ATOM 678 CA LEU A2054 -1.941 -2.306 7.785 1.00 22.14 C ATOM 679 C LEU A2054 -0.549 -2.823 7.415 1.00 10.43 C ATOM 680 O LEU A2054 -0.275 -4.017 7.528 1.00 40.04 O ATOM 681 CB LEU A2054 -2.736 -1.777 6.590 1.00 54.02 C ATOM 682 CG LEU A2054 -4.257 -1.739 6.761 1.00 4.13 C ATOM 683 CD1 LEU A2054 -4.941 -1.299 5.465 1.00 74.42 C ATOM 684 CD2 LEU A2054 -4.785 -3.087 7.259 1.00 54.41 C ATOM 0 H LEU A2054 -2.334 -0.425 8.620 1.00 52.14 H new ATOM 0 HA LEU A2054 -2.508 -3.156 8.164 1.00 22.14 H new ATOM 0 HB2 LEU A2054 -2.390 -0.768 6.366 1.00 54.02 H new ATOM 0 HB3 LEU A2054 -2.503 -2.394 5.722 1.00 54.02 H new ATOM 0 HG LEU A2054 -4.499 -0.997 7.522 1.00 4.13 H new ATOM 0 HD11 LEU A2054 -6.021 -1.280 5.612 1.00 74.42 H new ATOM 0 HD12 LEU A2054 -4.594 -0.303 5.191 1.00 74.42 H new ATOM 0 HD13 LEU A2054 -4.696 -2.001 4.668 1.00 74.42 H new ATOM 0 HD21 LEU A2054 -5.868 -3.034 7.372 1.00 54.41 H new ATOM 0 HD22 LEU A2054 -4.533 -3.865 6.538 1.00 54.41 H new ATOM 0 HD23 LEU A2054 -4.330 -3.323 8.221 1.00 54.41 H new ATOM 696 N HIS A2055 0.296 -1.896 6.985 1.00 22.33 N ATOM 697 CA HIS A2055 1.652 -2.243 6.598 1.00 13.22 C ATOM 698 C HIS A2055 2.380 -2.874 7.788 1.00 73.50 C ATOM 699 O HIS A2055 2.973 -3.944 7.661 1.00 61.21 O ATOM 700 CB HIS A2055 2.385 -1.024 6.035 1.00 52.32 C ATOM 701 CG HIS A2055 2.035 -0.704 4.601 1.00 2.24 C ATOM 702 ND1 HIS A2055 2.359 0.499 4.000 1.00 63.33 N ATOM 703 CD2 HIS A2055 1.387 -1.444 3.657 1.00 24.31 C ATOM 704 CE1 HIS A2055 1.920 0.473 2.751 1.00 12.21 C ATOM 705 NE2 HIS A2055 1.317 -0.731 2.540 1.00 61.22 N ATOM 0 H HIS A2055 0.067 -0.906 6.897 1.00 22.33 H new ATOM 0 HA HIS A2055 1.627 -2.982 5.797 1.00 13.22 H new ATOM 0 HB2 HIS A2055 2.157 -0.157 6.656 1.00 52.32 H new ATOM 0 HB3 HIS A2055 3.459 -1.194 6.107 1.00 52.32 H new ATOM 0 HD2 HIS A2055 0.997 -2.442 3.795 1.00 24.31 H new ATOM 0 HE1 HIS A2055 2.022 1.267 2.026 1.00 12.21 H new ATOM 0 HE2 HIS A2055 0.884 -1.034 1.668 1.00 61.22 H new ATOM 714 N ALA A2056 2.308 -2.185 8.917 1.00 44.10 N ATOM 715 CA ALA A2056 2.953 -2.664 10.128 1.00 74.52 C ATOM 716 C ALA A2056 2.510 -4.104 10.399 1.00 41.33 C ATOM 717 O ALA A2056 3.339 -4.969 10.680 1.00 32.15 O ATOM 718 CB ALA A2056 2.621 -1.726 11.289 1.00 50.51 C ATOM 0 H ALA A2056 1.813 -1.299 9.019 1.00 44.10 H new ATOM 0 HA ALA A2056 4.037 -2.667 10.011 1.00 74.52 H new ATOM 0 HB1 ALA A2056 3.105 -2.086 12.197 1.00 50.51 H new ATOM 0 HB2 ALA A2056 2.979 -0.722 11.060 1.00 50.51 H new ATOM 0 HB3 ALA A2056 1.542 -1.700 11.439 1.00 50.51 H new ATOM 724 N MET A2057 1.207 -4.318 10.305 1.00 1.00 N ATOM 725 CA MET A2057 0.645 -5.637 10.537 1.00 25.54 C ATOM 726 C MET A2057 1.363 -6.694 9.694 1.00 21.12 C ATOM 727 O MET A2057 1.616 -7.802 10.165 1.00 60.41 O ATOM 728 CB MET A2057 -0.843 -5.629 10.185 1.00 32.31 C ATOM 729 CG MET A2057 -1.119 -6.485 8.946 1.00 75.12 C ATOM 730 SD MET A2057 -2.869 -6.505 8.596 1.00 44.44 S ATOM 731 CE MET A2057 -2.832 -6.873 6.849 1.00 1.44 C ATOM 0 H MET A2057 0.523 -3.599 10.071 1.00 1.00 H new ATOM 0 HA MET A2057 0.776 -5.887 11.590 1.00 25.54 H new ATOM 0 HB2 MET A2057 -1.422 -6.006 11.028 1.00 32.31 H new ATOM 0 HB3 MET A2057 -1.172 -4.606 10.005 1.00 32.31 H new ATOM 0 HG2 MET A2057 -0.573 -6.088 8.090 1.00 75.12 H new ATOM 0 HG3 MET A2057 -0.761 -7.501 9.109 1.00 75.12 H new ATOM 0 HE1 MET A2057 -3.834 -6.765 6.433 1.00 1.44 H new ATOM 0 HE2 MET A2057 -2.154 -6.183 6.346 1.00 1.44 H new ATOM 0 HE3 MET A2057 -2.485 -7.896 6.700 1.00 1.44 H new ATOM 741 N MET A2058 1.671 -6.313 8.464 1.00 62.12 N ATOM 742 CA MET A2058 2.354 -7.215 7.550 1.00 45.52 C ATOM 743 C MET A2058 3.803 -7.439 7.985 1.00 23.04 C ATOM 744 O MET A2058 4.370 -8.506 7.745 1.00 51.11 O ATOM 745 CB MET A2058 2.330 -6.625 6.139 1.00 10.23 C ATOM 746 CG MET A2058 0.894 -6.375 5.674 1.00 4.41 C ATOM 747 SD MET A2058 -0.106 -7.822 5.977 1.00 14.14 S ATOM 748 CE MET A2058 -1.173 -7.767 4.549 1.00 72.14 C ATOM 0 H MET A2058 1.461 -5.393 8.078 1.00 62.12 H new ATOM 0 HA MET A2058 1.838 -8.175 7.561 1.00 45.52 H new ATOM 0 HB2 MET A2058 2.890 -5.690 6.122 1.00 10.23 H new ATOM 0 HB3 MET A2058 2.827 -7.306 5.448 1.00 10.23 H new ATOM 0 HG2 MET A2058 0.476 -5.517 6.201 1.00 4.41 H new ATOM 0 HG3 MET A2058 0.884 -6.132 4.612 1.00 4.41 H new ATOM 0 HE1 MET A2058 -2.099 -8.300 4.766 1.00 72.14 H new ATOM 0 HE2 MET A2058 -1.401 -6.729 4.305 1.00 72.14 H new ATOM 0 HE3 MET A2058 -0.673 -8.238 3.703 1.00 72.14 H new ATOM 758 N GLU A2059 4.364 -6.419 8.619 1.00 40.45 N ATOM 759 CA GLU A2059 5.736 -6.493 9.089 1.00 35.01 C ATOM 760 C GLU A2059 5.819 -7.353 10.353 1.00 51.03 C ATOM 761 O GLU A2059 6.466 -8.399 10.353 1.00 62.33 O ATOM 762 CB GLU A2059 6.305 -5.095 9.341 1.00 35.43 C ATOM 763 CG GLU A2059 5.889 -4.127 8.232 1.00 60.22 C ATOM 764 CD GLU A2059 6.971 -3.070 7.993 1.00 65.40 C ATOM 765 OE1 GLU A2059 7.730 -3.170 7.016 1.00 73.34 O ATOM 766 OE2 GLU A2059 7.007 -2.120 8.864 1.00 22.05 O ATOM 0 H GLU A2059 3.892 -5.537 8.818 1.00 40.45 H new ATOM 0 HA GLU A2059 6.340 -6.962 8.313 1.00 35.01 H new ATOM 0 HB2 GLU A2059 5.954 -4.723 10.304 1.00 35.43 H new ATOM 0 HB3 GLU A2059 7.392 -5.145 9.396 1.00 35.43 H new ATOM 0 HG2 GLU A2059 5.706 -4.680 7.311 1.00 60.22 H new ATOM 0 HG3 GLU A2059 4.952 -3.639 8.502 1.00 60.22 H new ATOM 774 N ARG A2060 5.155 -6.881 11.396 1.00 74.00 N ATOM 775 CA ARG A2060 5.144 -7.594 12.663 1.00 24.21 C ATOM 776 C ARG A2060 4.233 -8.820 12.575 1.00 51.34 C ATOM 777 O ARG A2060 4.304 -9.712 13.418 1.00 32.45 O ATOM 778 CB ARG A2060 4.663 -6.691 13.801 1.00 43.31 C ATOM 779 CG ARG A2060 3.199 -6.295 13.604 1.00 60.22 C ATOM 780 CD ARG A2060 2.722 -5.382 14.736 1.00 12.22 C ATOM 781 NE ARG A2060 1.295 -5.642 15.028 1.00 64.24 N ATOM 782 CZ ARG A2060 0.630 -5.123 16.083 1.00 42.34 C ATOM 783 NH1 ARG A2060 1.261 -4.308 16.953 1.00 53.24 N ATOM 784 NH2 ARG A2060 -0.644 -5.422 16.246 1.00 1.43 N ATOM 0 H ARG A2060 4.620 -6.013 11.391 1.00 74.00 H new ATOM 0 HA ARG A2060 6.166 -7.910 12.873 1.00 24.21 H new ATOM 0 HB2 ARG A2060 4.779 -7.208 14.754 1.00 43.31 H new ATOM 0 HB3 ARG A2060 5.283 -5.796 13.846 1.00 43.31 H new ATOM 0 HG2 ARG A2060 3.082 -5.786 12.647 1.00 60.22 H new ATOM 0 HG3 ARG A2060 2.578 -7.190 13.567 1.00 60.22 H new ATOM 0 HD2 ARG A2060 3.322 -5.553 15.630 1.00 12.22 H new ATOM 0 HD3 ARG A2060 2.860 -4.338 14.455 1.00 12.22 H new ATOM 0 HE ARG A2060 0.781 -6.252 14.392 1.00 64.24 H new ATOM 0 HH11 ARG A2060 2.246 -4.080 16.816 1.00 53.24 H new ATOM 0 HH12 ARG A2060 0.753 -3.919 17.748 1.00 53.24 H new ATOM 0 HH21 ARG A2060 -1.113 -6.037 15.581 1.00 1.43 H new ATOM 0 HH22 ARG A2060 -1.161 -5.038 17.037 1.00 1.43 H new ATOM 796 N GLY A2061 3.398 -8.823 11.546 1.00 70.31 N ATOM 797 CA GLY A2061 2.473 -9.925 11.337 1.00 34.31 C ATOM 798 C GLY A2061 2.685 -10.565 9.963 1.00 52.23 C ATOM 799 O GLY A2061 1.883 -10.368 9.052 1.00 24.43 O ATOM 0 H GLY A2061 3.342 -8.081 10.849 1.00 70.31 H new ATOM 0 HA2 GLY A2061 2.612 -10.674 12.117 1.00 34.31 H new ATOM 0 HA3 GLY A2061 1.448 -9.565 11.420 1.00 34.31 H new ATOM 803 N PRO A2062 3.799 -11.337 9.855 1.00 64.10 N ATOM 804 CA PRO A2062 4.127 -12.008 8.607 1.00 52.33 C ATOM 805 C PRO A2062 3.223 -13.220 8.383 1.00 52.11 C ATOM 806 O PRO A2062 2.164 -13.334 8.999 1.00 12.41 O ATOM 807 CB PRO A2062 5.596 -12.378 8.733 1.00 34.21 C ATOM 808 CG PRO A2062 5.914 -12.320 10.219 1.00 44.13 C ATOM 809 CD PRO A2062 4.773 -11.592 10.912 1.00 13.30 C ATOM 0 HA PRO A2062 3.963 -11.376 7.734 1.00 52.33 H new ATOM 0 HB2 PRO A2062 5.784 -13.374 8.332 1.00 34.21 H new ATOM 0 HB3 PRO A2062 6.223 -11.685 8.172 1.00 34.21 H new ATOM 0 HG2 PRO A2062 6.028 -13.325 10.625 1.00 44.13 H new ATOM 0 HG3 PRO A2062 6.857 -11.800 10.388 1.00 44.13 H new ATOM 0 HD2 PRO A2062 4.343 -12.198 11.709 1.00 13.30 H new ATOM 0 HD3 PRO A2062 5.115 -10.663 11.368 1.00 13.30 H new ATOM 817 N GLN A2063 3.672 -14.098 7.498 1.00 62.14 N ATOM 818 CA GLN A2063 2.917 -15.299 7.185 1.00 33.04 C ATOM 819 C GLN A2063 3.858 -16.498 7.049 1.00 71.01 C ATOM 820 O GLN A2063 3.869 -17.382 7.904 1.00 22.31 O ATOM 821 CB GLN A2063 2.085 -15.107 5.914 1.00 10.44 C ATOM 822 CG GLN A2063 0.590 -15.237 6.211 1.00 13.42 C ATOM 823 CD GLN A2063 0.073 -16.624 5.829 1.00 11.12 C ATOM 824 OE1 GLN A2063 0.429 -17.187 4.808 1.00 22.23 O ATOM 825 NE2 GLN A2063 -0.786 -17.142 6.702 1.00 22.31 N ATOM 0 H GLN A2063 4.550 -14.001 6.988 1.00 62.14 H new ATOM 0 HA GLN A2063 2.227 -15.496 8.006 1.00 33.04 H new ATOM 0 HB2 GLN A2063 2.290 -14.126 5.486 1.00 10.44 H new ATOM 0 HB3 GLN A2063 2.377 -15.847 5.169 1.00 10.44 H new ATOM 0 HG2 GLN A2063 0.409 -15.057 7.271 1.00 13.42 H new ATOM 0 HG3 GLN A2063 0.039 -14.475 5.660 1.00 13.42 H new ATOM 0 HE21 GLN A2063 -1.042 -16.617 7.538 1.00 22.31 H new ATOM 0 HE22 GLN A2063 -1.189 -18.064 6.535 1.00 22.31 H new ATOM 834 N THR A2064 4.624 -16.489 5.968 1.00 55.40 N ATOM 835 CA THR A2064 5.565 -17.566 5.709 1.00 11.42 C ATOM 836 C THR A2064 6.458 -17.218 4.517 1.00 4.34 C ATOM 837 O THR A2064 6.214 -16.233 3.822 1.00 63.01 O ATOM 838 CB THR A2064 4.766 -18.856 5.514 1.00 12.45 C ATOM 839 OG1 THR A2064 5.759 -19.838 5.226 1.00 75.31 O ATOM 840 CG2 THR A2064 3.898 -18.824 4.255 1.00 72.14 C ATOM 0 H THR A2064 4.612 -15.753 5.262 1.00 55.40 H new ATOM 0 HA THR A2064 6.242 -17.711 6.551 1.00 11.42 H new ATOM 0 HB THR A2064 4.134 -19.026 6.385 1.00 12.45 H new ATOM 0 HG1 THR A2064 5.329 -20.707 5.087 1.00 75.31 H new ATOM 0 HG21 THR A2064 3.353 -19.763 4.165 1.00 72.14 H new ATOM 0 HG22 THR A2064 3.190 -17.998 4.322 1.00 72.14 H new ATOM 0 HG23 THR A2064 4.532 -18.687 3.379 1.00 72.14 H new ATOM 848 N LEU A2065 7.473 -18.046 4.317 1.00 64.04 N ATOM 849 CA LEU A2065 8.403 -17.837 3.220 1.00 21.33 C ATOM 850 C LEU A2065 7.617 -17.597 1.929 1.00 23.30 C ATOM 851 O LEU A2065 8.088 -16.899 1.032 1.00 11.41 O ATOM 852 CB LEU A2065 9.393 -19.000 3.130 1.00 3.34 C ATOM 853 CG LEU A2065 10.843 -18.677 3.493 1.00 44.55 C ATOM 854 CD1 LEU A2065 11.370 -19.639 4.559 1.00 32.20 C ATOM 855 CD2 LEU A2065 11.731 -18.660 2.247 1.00 23.40 C ATOM 0 H LEU A2065 7.672 -18.862 4.896 1.00 64.04 H new ATOM 0 HA LEU A2065 9.007 -16.947 3.396 1.00 21.33 H new ATOM 0 HB2 LEU A2065 9.045 -19.799 3.785 1.00 3.34 H new ATOM 0 HB3 LEU A2065 9.373 -19.390 2.113 1.00 3.34 H new ATOM 0 HG LEU A2065 10.871 -17.675 3.922 1.00 44.55 H new ATOM 0 HD11 LEU A2065 12.403 -19.387 4.798 1.00 32.20 H new ATOM 0 HD12 LEU A2065 10.759 -19.556 5.458 1.00 32.20 H new ATOM 0 HD13 LEU A2065 11.324 -20.661 4.182 1.00 32.20 H new ATOM 0 HD21 LEU A2065 12.757 -18.428 2.534 1.00 23.40 H new ATOM 0 HD22 LEU A2065 11.701 -19.638 1.766 1.00 23.40 H new ATOM 0 HD23 LEU A2065 11.368 -17.902 1.552 1.00 23.40 H new ATOM 867 N LYS A2066 6.434 -18.189 1.876 1.00 71.54 N ATOM 868 CA LYS A2066 5.578 -18.049 0.709 1.00 55.14 C ATOM 869 C LYS A2066 5.077 -16.604 0.622 1.00 70.40 C ATOM 870 O LYS A2066 4.956 -16.051 -0.470 1.00 40.12 O ATOM 871 CB LYS A2066 4.457 -19.088 0.739 1.00 74.33 C ATOM 872 CG LYS A2066 4.901 -20.394 0.074 1.00 53.14 C ATOM 873 CD LYS A2066 3.842 -21.483 0.244 1.00 23.54 C ATOM 874 CE LYS A2066 3.222 -21.862 -1.102 1.00 44.04 C ATOM 875 NZ LYS A2066 2.452 -23.119 -0.984 1.00 71.44 N ATOM 0 H LYS A2066 6.047 -18.767 2.622 1.00 71.54 H new ATOM 0 HA LYS A2066 6.140 -18.248 -0.203 1.00 55.14 H new ATOM 0 HB2 LYS A2066 4.164 -19.282 1.771 1.00 74.33 H new ATOM 0 HB3 LYS A2066 3.579 -18.695 0.227 1.00 74.33 H new ATOM 0 HG2 LYS A2066 5.084 -20.222 -0.987 1.00 53.14 H new ATOM 0 HG3 LYS A2066 5.843 -20.726 0.510 1.00 53.14 H new ATOM 0 HD2 LYS A2066 4.292 -22.364 0.702 1.00 23.54 H new ATOM 0 HD3 LYS A2066 3.063 -21.134 0.922 1.00 23.54 H new ATOM 0 HE2 LYS A2066 2.569 -21.060 -1.447 1.00 44.04 H new ATOM 0 HE3 LYS A2066 4.006 -21.978 -1.850 1.00 44.04 H new ATOM 0 HZ1 LYS A2066 2.038 -23.361 -1.907 1.00 71.44 H new ATOM 0 HZ2 LYS A2066 3.084 -23.886 -0.676 1.00 71.44 H new ATOM 0 HZ3 LYS A2066 1.691 -22.996 -0.285 1.00 71.44 H new ATOM 888 N GLU A2067 4.797 -16.037 1.787 1.00 23.14 N ATOM 889 CA GLU A2067 4.311 -14.670 1.854 1.00 32.21 C ATOM 890 C GLU A2067 5.485 -13.689 1.857 1.00 54.32 C ATOM 891 O GLU A2067 5.321 -12.518 1.519 1.00 14.25 O ATOM 892 CB GLU A2067 3.423 -14.465 3.083 1.00 1.52 C ATOM 893 CG GLU A2067 2.474 -13.282 2.882 1.00 52.32 C ATOM 894 CD GLU A2067 1.248 -13.694 2.064 1.00 12.40 C ATOM 895 OE1 GLU A2067 1.352 -13.872 0.842 1.00 71.43 O ATOM 896 OE2 GLU A2067 0.161 -13.831 2.744 1.00 73.04 O ATOM 0 H GLU A2067 4.898 -16.499 2.691 1.00 23.14 H new ATOM 0 HA GLU A2067 3.703 -14.477 0.970 1.00 32.21 H new ATOM 0 HB2 GLU A2067 2.846 -15.370 3.275 1.00 1.52 H new ATOM 0 HB3 GLU A2067 4.045 -14.292 3.961 1.00 1.52 H new ATOM 0 HG2 GLU A2067 2.156 -12.898 3.851 1.00 52.32 H new ATOM 0 HG3 GLU A2067 2.999 -12.473 2.374 1.00 52.32 H new ATOM 904 N THR A2068 6.645 -14.203 2.240 1.00 20.22 N ATOM 905 CA THR A2068 7.846 -13.387 2.290 1.00 1.43 C ATOM 906 C THR A2068 8.103 -12.731 0.932 1.00 21.30 C ATOM 907 O THR A2068 8.630 -11.623 0.866 1.00 64.23 O ATOM 908 CB THR A2068 8.999 -14.273 2.763 1.00 1.42 C ATOM 909 OG1 THR A2068 8.733 -14.479 4.149 1.00 25.34 O ATOM 910 CG2 THR A2068 10.344 -13.544 2.747 1.00 24.13 C ATOM 0 H THR A2068 6.778 -15.175 2.519 1.00 20.22 H new ATOM 0 HA THR A2068 7.736 -12.565 2.997 1.00 1.43 H new ATOM 0 HB THR A2068 9.059 -15.158 2.130 1.00 1.42 H new ATOM 0 HG1 THR A2068 7.924 -15.023 4.250 1.00 25.34 H new ATOM 0 HG21 THR A2068 11.128 -14.219 3.092 1.00 24.13 H new ATOM 0 HG22 THR A2068 10.568 -13.216 1.732 1.00 24.13 H new ATOM 0 HG23 THR A2068 10.296 -12.677 3.406 1.00 24.13 H new ATOM 918 N SER A2069 7.714 -13.443 -0.115 1.00 62.54 N ATOM 919 CA SER A2069 7.895 -12.942 -1.468 1.00 24.41 C ATOM 920 C SER A2069 6.968 -11.750 -1.713 1.00 24.24 C ATOM 921 O SER A2069 7.319 -10.827 -2.447 1.00 53.21 O ATOM 922 CB SER A2069 7.633 -14.041 -2.501 1.00 74.25 C ATOM 923 OG SER A2069 8.749 -14.240 -3.363 1.00 32.05 O ATOM 0 H SER A2069 7.275 -14.362 -0.055 1.00 62.54 H new ATOM 0 HA SER A2069 8.930 -12.617 -1.578 1.00 24.41 H new ATOM 0 HB2 SER A2069 7.401 -14.974 -1.987 1.00 74.25 H new ATOM 0 HB3 SER A2069 6.758 -13.779 -3.096 1.00 74.25 H new ATOM 0 HG SER A2069 8.543 -14.950 -4.006 1.00 32.05 H new ATOM 929 N PHE A2070 5.803 -11.808 -1.084 1.00 4.12 N ATOM 930 CA PHE A2070 4.824 -10.743 -1.224 1.00 45.02 C ATOM 931 C PHE A2070 5.329 -9.446 -0.592 1.00 51.32 C ATOM 932 O PHE A2070 5.348 -8.401 -1.240 1.00 13.11 O ATOM 933 CB PHE A2070 3.562 -11.198 -0.490 1.00 52.33 C ATOM 934 CG PHE A2070 2.355 -10.282 -0.700 1.00 70.31 C ATOM 935 CD1 PHE A2070 2.201 -9.172 0.071 1.00 52.32 C ATOM 936 CD2 PHE A2070 1.436 -10.576 -1.659 1.00 62.10 C ATOM 937 CE1 PHE A2070 1.080 -8.322 -0.124 1.00 0.53 C ATOM 938 CE2 PHE A2070 0.315 -9.725 -1.854 1.00 4.15 C ATOM 939 CZ PHE A2070 0.162 -8.616 -1.084 1.00 22.33 C ATOM 0 H PHE A2070 5.515 -12.575 -0.477 1.00 4.12 H new ATOM 0 HA PHE A2070 4.633 -10.549 -2.280 1.00 45.02 H new ATOM 0 HB2 PHE A2070 3.304 -12.204 -0.822 1.00 52.33 H new ATOM 0 HB3 PHE A2070 3.777 -11.260 0.577 1.00 52.33 H new ATOM 0 HD1 PHE A2070 2.931 -8.937 0.831 1.00 52.32 H new ATOM 0 HD2 PHE A2070 1.559 -11.456 -2.272 1.00 62.10 H new ATOM 0 HE1 PHE A2070 0.956 -7.442 0.490 1.00 0.53 H new ATOM 0 HE2 PHE A2070 -0.415 -9.960 -2.614 1.00 4.15 H new ATOM 0 HZ PHE A2070 -0.689 -7.968 -1.234 1.00 22.33 H new ATOM 949 N ASN A2071 5.727 -9.554 0.667 1.00 34.02 N ATOM 950 CA ASN A2071 6.231 -8.402 1.395 1.00 35.02 C ATOM 951 C ASN A2071 7.498 -7.886 0.709 1.00 11.00 C ATOM 952 O ASN A2071 7.789 -6.692 0.755 1.00 54.21 O ATOM 953 CB ASN A2071 6.590 -8.774 2.835 1.00 23.53 C ATOM 954 CG ASN A2071 6.323 -7.608 3.786 1.00 73.51 C ATOM 955 OD1 ASN A2071 5.191 -7.221 4.034 1.00 23.23 O ATOM 956 ND2 ASN A2071 7.423 -7.068 4.304 1.00 71.02 N ATOM 0 H ASN A2071 5.711 -10.422 1.202 1.00 34.02 H new ATOM 0 HA ASN A2071 5.451 -7.640 1.404 1.00 35.02 H new ATOM 0 HB2 ASN A2071 6.008 -9.642 3.146 1.00 23.53 H new ATOM 0 HB3 ASN A2071 7.641 -9.059 2.889 1.00 23.53 H new ATOM 0 HD21 ASN A2071 7.350 -6.282 4.950 1.00 71.02 H new ATOM 0 HD22 ASN A2071 8.340 -7.440 4.055 1.00 71.02 H new ATOM 963 N GLN A2072 8.216 -8.811 0.090 1.00 71.41 N ATOM 964 CA GLN A2072 9.444 -8.464 -0.604 1.00 21.31 C ATOM 965 C GLN A2072 9.127 -7.855 -1.972 1.00 65.20 C ATOM 966 O GLN A2072 9.643 -6.794 -2.317 1.00 40.30 O ATOM 967 CB GLN A2072 10.357 -9.683 -0.746 1.00 33.54 C ATOM 968 CG GLN A2072 11.432 -9.693 0.343 1.00 34.31 C ATOM 969 CD GLN A2072 12.580 -8.745 -0.011 1.00 32.13 C ATOM 970 OE1 GLN A2072 13.375 -8.997 -0.901 1.00 21.44 O ATOM 971 NE2 GLN A2072 12.621 -7.644 0.734 1.00 50.32 N ATOM 0 H GLN A2072 7.971 -9.800 0.055 1.00 71.41 H new ATOM 0 HA GLN A2072 9.975 -7.720 -0.011 1.00 21.31 H new ATOM 0 HB2 GLN A2072 9.764 -10.595 -0.685 1.00 33.54 H new ATOM 0 HB3 GLN A2072 10.829 -9.676 -1.728 1.00 33.54 H new ATOM 0 HG2 GLN A2072 10.992 -9.398 1.296 1.00 34.31 H new ATOM 0 HG3 GLN A2072 11.817 -10.705 0.470 1.00 34.31 H new ATOM 0 HE21 GLN A2072 11.924 -7.495 1.463 1.00 50.32 H new ATOM 0 HE22 GLN A2072 13.350 -6.948 0.576 1.00 50.32 H new ATOM 980 N ALA A2073 8.279 -8.553 -2.712 1.00 44.34 N ATOM 981 CA ALA A2073 7.888 -8.093 -4.034 1.00 22.44 C ATOM 982 C ALA A2073 7.645 -6.584 -3.995 1.00 73.42 C ATOM 983 O ALA A2073 8.230 -5.836 -4.778 1.00 34.33 O ATOM 984 CB ALA A2073 6.653 -8.870 -4.500 1.00 23.44 C ATOM 0 H ALA A2073 7.852 -9.433 -2.422 1.00 44.34 H new ATOM 0 HA ALA A2073 8.684 -8.280 -4.755 1.00 22.44 H new ATOM 0 HB1 ALA A2073 6.359 -8.526 -5.491 1.00 23.44 H new ATOM 0 HB2 ALA A2073 6.886 -9.934 -4.540 1.00 23.44 H new ATOM 0 HB3 ALA A2073 5.834 -8.704 -3.801 1.00 23.44 H new ATOM 990 N TYR A2074 6.782 -6.179 -3.074 1.00 72.01 N ATOM 991 CA TYR A2074 6.455 -4.771 -2.922 1.00 24.41 C ATOM 992 C TYR A2074 7.347 -4.113 -1.868 1.00 54.25 C ATOM 993 O TYR A2074 7.486 -2.891 -1.845 1.00 10.43 O ATOM 994 CB TYR A2074 5.002 -4.725 -2.444 1.00 33.10 C ATOM 995 CG TYR A2074 4.050 -5.604 -3.258 1.00 41.44 C ATOM 996 CD1 TYR A2074 3.977 -5.456 -4.629 1.00 22.44 C ATOM 997 CD2 TYR A2074 3.264 -6.543 -2.624 1.00 32.15 C ATOM 998 CE1 TYR A2074 3.082 -6.284 -5.395 1.00 44.43 C ATOM 999 CE2 TYR A2074 2.369 -7.371 -3.389 1.00 60.33 C ATOM 1000 CZ TYR A2074 2.322 -7.200 -4.738 1.00 2.02 C ATOM 1001 OH TYR A2074 1.476 -7.981 -5.461 1.00 44.44 O ATOM 0 H TYR A2074 6.299 -6.801 -2.426 1.00 72.01 H new ATOM 0 HA TYR A2074 6.603 -4.238 -3.861 1.00 24.41 H new ATOM 0 HB2 TYR A2074 4.964 -5.036 -1.400 1.00 33.10 H new ATOM 0 HB3 TYR A2074 4.650 -3.694 -2.482 1.00 33.10 H new ATOM 0 HD1 TYR A2074 4.591 -4.720 -5.126 1.00 22.44 H new ATOM 0 HD2 TYR A2074 3.320 -6.657 -1.552 1.00 32.15 H new ATOM 0 HE1 TYR A2074 3.016 -6.180 -6.468 1.00 44.43 H new ATOM 0 HE2 TYR A2074 1.749 -8.111 -2.904 1.00 60.33 H new ATOM 0 HH TYR A2074 1.369 -8.847 -5.015 1.00 44.44 H new ATOM 1011 N GLY A2075 7.927 -4.950 -1.022 1.00 31.54 N ATOM 1012 CA GLY A2075 8.803 -4.465 0.031 1.00 33.42 C ATOM 1013 C GLY A2075 9.682 -3.318 -0.471 1.00 72.31 C ATOM 1014 O GLY A2075 10.055 -2.433 0.299 1.00 22.45 O ATOM 0 H GLY A2075 7.808 -5.963 -1.044 1.00 31.54 H new ATOM 0 HA2 GLY A2075 8.206 -4.127 0.878 1.00 33.42 H new ATOM 0 HA3 GLY A2075 9.432 -5.280 0.390 1.00 33.42 H new ATOM 1018 N ARG A2076 9.986 -3.369 -1.761 1.00 3.05 N ATOM 1019 CA ARG A2076 10.815 -2.346 -2.375 1.00 62.54 C ATOM 1020 C ARG A2076 9.976 -1.111 -2.702 1.00 72.42 C ATOM 1021 O ARG A2076 10.394 0.017 -2.441 1.00 0.12 O ATOM 1022 CB ARG A2076 11.469 -2.864 -3.657 1.00 33.14 C ATOM 1023 CG ARG A2076 12.988 -2.951 -3.500 1.00 44.42 C ATOM 1024 CD ARG A2076 13.607 -1.556 -3.379 1.00 10.42 C ATOM 1025 NE ARG A2076 15.075 -1.636 -3.549 1.00 31.21 N ATOM 1026 CZ ARG A2076 15.926 -0.626 -3.269 1.00 45.21 C ATOM 1027 NH1 ARG A2076 15.462 0.551 -2.803 1.00 74.23 N ATOM 1028 NH2 ARG A2076 17.220 -0.808 -3.460 1.00 11.14 N ATOM 0 H ARG A2076 9.673 -4.103 -2.397 1.00 3.05 H new ATOM 0 HA ARG A2076 11.597 -2.081 -1.664 1.00 62.54 H new ATOM 0 HB2 ARG A2076 11.068 -3.847 -3.902 1.00 33.14 H new ATOM 0 HB3 ARG A2076 11.223 -2.203 -4.488 1.00 33.14 H new ATOM 0 HG2 ARG A2076 13.233 -3.539 -2.616 1.00 44.42 H new ATOM 0 HG3 ARG A2076 13.417 -3.470 -4.357 1.00 44.42 H new ATOM 0 HD2 ARG A2076 13.181 -0.894 -4.133 1.00 10.42 H new ATOM 0 HD3 ARG A2076 13.368 -1.127 -2.406 1.00 10.42 H new ATOM 0 HE ARG A2076 15.469 -2.509 -3.900 1.00 31.21 H new ATOM 0 HH11 ARG A2076 14.461 0.684 -2.659 1.00 74.23 H new ATOM 0 HH12 ARG A2076 16.112 1.309 -2.594 1.00 74.23 H new ATOM 0 HH21 ARG A2076 17.563 -1.701 -3.814 1.00 11.14 H new ATOM 0 HH22 ARG A2076 17.877 -0.055 -3.254 1.00 11.14 H new ATOM 1040 N ASP A2077 8.804 -1.362 -3.269 1.00 1.02 N ATOM 1041 CA ASP A2077 7.902 -0.284 -3.635 1.00 31.13 C ATOM 1042 C ASP A2077 7.510 0.495 -2.378 1.00 52.22 C ATOM 1043 O ASP A2077 7.749 1.698 -2.290 1.00 4.30 O ATOM 1044 CB ASP A2077 6.621 -0.829 -4.271 1.00 11.42 C ATOM 1045 CG ASP A2077 6.811 -1.497 -5.634 1.00 60.13 C ATOM 1046 OD1 ASP A2077 6.806 -2.732 -5.747 1.00 23.33 O ATOM 1047 OD2 ASP A2077 6.972 -0.683 -6.623 1.00 13.51 O ATOM 0 H ASP A2077 8.459 -2.298 -3.484 1.00 1.02 H new ATOM 0 HA ASP A2077 8.416 0.357 -4.351 1.00 31.13 H new ATOM 0 HB2 ASP A2077 6.173 -1.551 -3.588 1.00 11.42 H new ATOM 0 HB3 ASP A2077 5.910 -0.010 -4.380 1.00 11.42 H new ATOM 1053 N LEU A2078 6.914 -0.222 -1.437 1.00 44.34 N ATOM 1054 CA LEU A2078 6.486 0.387 -0.188 1.00 42.45 C ATOM 1055 C LEU A2078 7.654 1.171 0.416 1.00 13.13 C ATOM 1056 O LEU A2078 7.476 2.297 0.876 1.00 44.41 O ATOM 1057 CB LEU A2078 5.903 -0.668 0.751 1.00 23.31 C ATOM 1058 CG LEU A2078 4.503 -1.179 0.399 1.00 11.25 C ATOM 1059 CD1 LEU A2078 4.501 -1.875 -0.963 1.00 13.12 C ATOM 1060 CD2 LEU A2078 3.955 -2.082 1.505 1.00 40.43 C ATOM 0 H LEU A2078 6.717 -1.220 -1.514 1.00 44.34 H new ATOM 0 HA LEU A2078 5.680 1.099 -0.367 1.00 42.45 H new ATOM 0 HB2 LEU A2078 6.583 -1.519 0.776 1.00 23.31 H new ATOM 0 HB3 LEU A2078 5.874 -0.253 1.759 1.00 23.31 H new ATOM 0 HG LEU A2078 3.835 -0.321 0.324 1.00 11.25 H new ATOM 0 HD11 LEU A2078 3.495 -2.229 -1.189 1.00 13.12 H new ATOM 0 HD12 LEU A2078 4.820 -1.171 -1.732 1.00 13.12 H new ATOM 0 HD13 LEU A2078 5.187 -2.722 -0.940 1.00 13.12 H new ATOM 0 HD21 LEU A2078 2.960 -2.431 1.230 1.00 40.43 H new ATOM 0 HD22 LEU A2078 4.616 -2.938 1.637 1.00 40.43 H new ATOM 0 HD23 LEU A2078 3.898 -1.521 2.438 1.00 40.43 H new ATOM 1072 N MET A2079 8.821 0.544 0.396 1.00 34.51 N ATOM 1073 CA MET A2079 10.014 1.168 0.938 1.00 15.33 C ATOM 1074 C MET A2079 10.203 2.576 0.369 1.00 0.41 C ATOM 1075 O MET A2079 10.422 3.527 1.116 1.00 54.23 O ATOM 1076 CB MET A2079 11.238 0.311 0.599 1.00 74.32 C ATOM 1077 CG MET A2079 11.853 -0.289 1.865 1.00 1.42 C ATOM 1078 SD MET A2079 12.525 -1.904 1.509 1.00 4.01 S ATOM 1079 CE MET A2079 11.637 -2.881 2.710 1.00 42.50 C ATOM 0 H MET A2079 8.965 -0.390 0.013 1.00 34.51 H new ATOM 0 HA MET A2079 9.902 1.245 2.019 1.00 15.33 H new ATOM 0 HB2 MET A2079 10.949 -0.488 -0.084 1.00 74.32 H new ATOM 0 HB3 MET A2079 11.981 0.919 0.082 1.00 74.32 H new ATOM 0 HG2 MET A2079 12.638 0.366 2.244 1.00 1.42 H new ATOM 0 HG3 MET A2079 11.097 -0.365 2.646 1.00 1.42 H new ATOM 0 HE1 MET A2079 11.669 -3.931 2.420 1.00 42.50 H new ATOM 0 HE2 MET A2079 12.099 -2.761 3.690 1.00 42.50 H new ATOM 0 HE3 MET A2079 10.600 -2.548 2.755 1.00 42.50 H new ATOM 1089 N GLU A2080 10.114 2.663 -0.950 1.00 52.01 N ATOM 1090 CA GLU A2080 10.272 3.938 -1.629 1.00 1.11 C ATOM 1091 C GLU A2080 9.053 4.826 -1.380 1.00 71.15 C ATOM 1092 O GLU A2080 9.193 6.003 -1.045 1.00 30.04 O ATOM 1093 CB GLU A2080 10.508 3.737 -3.126 1.00 1.11 C ATOM 1094 CG GLU A2080 10.733 5.076 -3.832 1.00 34.22 C ATOM 1095 CD GLU A2080 11.557 4.894 -5.107 1.00 12.12 C ATOM 1096 OE1 GLU A2080 12.611 4.238 -5.076 1.00 41.05 O ATOM 1097 OE2 GLU A2080 11.069 5.459 -6.157 1.00 61.11 O ATOM 0 H GLU A2080 9.934 1.871 -1.567 1.00 52.01 H new ATOM 0 HA GLU A2080 11.150 4.438 -1.221 1.00 1.11 H new ATOM 0 HB2 GLU A2080 11.374 3.092 -3.278 1.00 1.11 H new ATOM 0 HB3 GLU A2080 9.651 3.229 -3.568 1.00 1.11 H new ATOM 0 HG2 GLU A2080 9.772 5.527 -4.078 1.00 34.22 H new ATOM 0 HG3 GLU A2080 11.245 5.764 -3.159 1.00 34.22 H new ATOM 1105 N ALA A2081 7.881 4.232 -1.554 1.00 4.34 N ATOM 1106 CA ALA A2081 6.637 4.955 -1.353 1.00 31.12 C ATOM 1107 C ALA A2081 6.628 5.567 0.050 1.00 4.31 C ATOM 1108 O ALA A2081 6.226 6.716 0.227 1.00 1.15 O ATOM 1109 CB ALA A2081 5.455 4.011 -1.583 1.00 21.34 C ATOM 0 H ALA A2081 7.767 3.257 -1.832 1.00 4.34 H new ATOM 0 HA ALA A2081 6.548 5.771 -2.070 1.00 31.12 H new ATOM 0 HB1 ALA A2081 4.522 4.553 -1.432 1.00 21.34 H new ATOM 0 HB2 ALA A2081 5.490 3.625 -2.602 1.00 21.34 H new ATOM 0 HB3 ALA A2081 5.510 3.181 -0.879 1.00 21.34 H new ATOM 1115 N GLN A2082 7.079 4.772 1.011 1.00 64.33 N ATOM 1116 CA GLN A2082 7.130 5.222 2.392 1.00 70.32 C ATOM 1117 C GLN A2082 8.122 6.375 2.538 1.00 40.44 C ATOM 1118 O GLN A2082 7.885 7.312 3.301 1.00 33.10 O ATOM 1119 CB GLN A2082 7.486 4.068 3.331 1.00 41.32 C ATOM 1120 CG GLN A2082 7.207 4.442 4.788 1.00 25.23 C ATOM 1121 CD GLN A2082 8.317 3.930 5.708 1.00 50.15 C ATOM 1122 OE1 GLN A2082 9.233 3.238 5.293 1.00 4.41 O ATOM 1123 NE2 GLN A2082 8.187 4.310 6.975 1.00 12.14 N ATOM 0 H GLN A2082 7.412 3.820 0.860 1.00 64.33 H new ATOM 0 HA GLN A2082 6.141 5.583 2.673 1.00 70.32 H new ATOM 0 HB2 GLN A2082 6.909 3.184 3.062 1.00 41.32 H new ATOM 0 HB3 GLN A2082 8.538 3.810 3.213 1.00 41.32 H new ATOM 0 HG2 GLN A2082 7.124 5.525 4.880 1.00 25.23 H new ATOM 0 HG3 GLN A2082 6.250 4.022 5.098 1.00 25.23 H new ATOM 0 HE21 GLN A2082 7.396 4.890 7.255 1.00 12.14 H new ATOM 0 HE22 GLN A2082 8.879 4.022 7.667 1.00 12.14 H new ATOM 1132 N GLU A2083 9.215 6.272 1.796 1.00 30.41 N ATOM 1133 CA GLU A2083 10.246 7.295 1.834 1.00 51.44 C ATOM 1134 C GLU A2083 9.685 8.631 1.342 1.00 41.12 C ATOM 1135 O GLU A2083 10.008 9.684 1.890 1.00 51.14 O ATOM 1136 CB GLU A2083 11.466 6.876 1.013 1.00 44.13 C ATOM 1137 CG GLU A2083 11.769 7.901 -0.082 1.00 34.41 C ATOM 1138 CD GLU A2083 12.907 7.419 -0.983 1.00 4.50 C ATOM 1139 OE1 GLU A2083 14.018 7.164 -0.495 1.00 1.52 O ATOM 1140 OE2 GLU A2083 12.606 7.312 -2.233 1.00 50.31 O ATOM 0 H GLU A2083 9.409 5.495 1.164 1.00 30.41 H new ATOM 0 HA GLU A2083 10.571 7.418 2.867 1.00 51.44 H new ATOM 0 HB2 GLU A2083 12.331 6.772 1.668 1.00 44.13 H new ATOM 0 HB3 GLU A2083 11.288 5.900 0.563 1.00 44.13 H new ATOM 0 HG2 GLU A2083 10.875 8.074 -0.681 1.00 34.41 H new ATOM 0 HG3 GLU A2083 12.039 8.855 0.372 1.00 34.41 H new ATOM 1148 N TRP A2084 8.858 8.545 0.310 1.00 74.23 N ATOM 1149 CA TRP A2084 8.249 9.734 -0.264 1.00 21.33 C ATOM 1150 C TRP A2084 7.244 10.285 0.750 1.00 55.42 C ATOM 1151 O TRP A2084 7.061 11.499 0.849 1.00 11.42 O ATOM 1152 CB TRP A2084 7.620 9.428 -1.623 1.00 21.54 C ATOM 1153 CG TRP A2084 8.637 9.115 -2.724 1.00 31.01 C ATOM 1154 CD1 TRP A2084 8.988 7.917 -3.207 1.00 24.43 C ATOM 1155 CD2 TRP A2084 9.425 10.073 -3.461 1.00 11.51 C ATOM 1156 NE1 TRP A2084 9.939 8.031 -4.199 1.00 44.22 N ATOM 1157 CE2 TRP A2084 10.215 9.384 -4.358 1.00 62.40 C ATOM 1158 CE3 TRP A2084 9.469 11.475 -3.374 1.00 14.13 C ATOM 1159 CZ2 TRP A2084 11.106 10.013 -5.236 1.00 11.04 C ATOM 1160 CZ3 TRP A2084 10.365 12.089 -4.256 1.00 24.33 C ATOM 1161 CH2 TRP A2084 11.167 11.410 -5.166 1.00 43.12 C ATOM 0 H TRP A2084 8.595 7.670 -0.144 1.00 74.23 H new ATOM 0 HA TRP A2084 9.002 10.497 -0.459 1.00 21.33 H new ATOM 0 HB2 TRP A2084 6.943 8.580 -1.516 1.00 21.54 H new ATOM 0 HB3 TRP A2084 7.016 10.281 -1.932 1.00 21.54 H new ATOM 0 HD1 TRP A2084 8.578 6.979 -2.863 1.00 24.43 H new ATOM 0 HE1 TRP A2084 10.362 7.263 -4.720 1.00 44.22 H new ATOM 0 HE3 TRP A2084 8.859 12.035 -2.681 1.00 14.13 H new ATOM 0 HZ2 TRP A2084 11.713 9.451 -5.930 1.00 11.04 H new ATOM 0 HZ3 TRP A2084 10.439 13.166 -4.228 1.00 24.33 H new ATOM 0 HH2 TRP A2084 11.834 11.957 -5.816 1.00 43.12 H new ATOM 1172 N CYS A2085 6.619 9.371 1.475 1.00 11.15 N ATOM 1173 CA CYS A2085 5.638 9.751 2.478 1.00 65.04 C ATOM 1174 C CYS A2085 6.317 10.675 3.489 1.00 11.35 C ATOM 1175 O CYS A2085 5.867 11.797 3.711 1.00 52.43 O ATOM 1176 CB CYS A2085 5.012 8.528 3.150 1.00 2.32 C ATOM 1177 SG CYS A2085 4.254 9.010 4.743 1.00 31.45 S ATOM 0 H CYS A2085 6.772 8.366 1.388 1.00 11.15 H new ATOM 0 HA CYS A2085 4.814 10.281 2.001 1.00 65.04 H new ATOM 0 HB2 CYS A2085 4.258 8.090 2.497 1.00 2.32 H new ATOM 0 HB3 CYS A2085 5.772 7.765 3.316 1.00 2.32 H new ATOM 0 HG CYS A2085 3.041 9.431 4.537 1.00 31.45 H new ATOM 1183 N ARG A2086 7.391 10.167 4.076 1.00 54.35 N ATOM 1184 CA ARG A2086 8.138 10.934 5.061 1.00 62.12 C ATOM 1185 C ARG A2086 8.573 12.276 4.469 1.00 53.11 C ATOM 1186 O ARG A2086 8.531 13.301 5.149 1.00 24.42 O ATOM 1187 CB ARG A2086 9.375 10.167 5.532 1.00 53.12 C ATOM 1188 CG ARG A2086 8.978 8.914 6.317 1.00 42.33 C ATOM 1189 CD ARG A2086 9.559 7.655 5.669 1.00 34.52 C ATOM 1190 NE ARG A2086 10.925 7.410 6.176 1.00 3.52 N ATOM 1191 CZ ARG A2086 11.204 6.948 7.415 1.00 25.44 C ATOM 1192 NH1 ARG A2086 10.207 6.676 8.282 1.00 74.22 N ATOM 1193 NH2 ARG A2086 12.463 6.765 7.763 1.00 54.12 N ATOM 0 H ARG A2086 7.762 9.235 3.889 1.00 54.35 H new ATOM 0 HA ARG A2086 7.483 11.105 5.915 1.00 62.12 H new ATOM 0 HB2 ARG A2086 9.981 9.884 4.672 1.00 53.12 H new ATOM 0 HB3 ARG A2086 9.991 10.813 6.158 1.00 53.12 H new ATOM 0 HG2 ARG A2086 9.333 8.996 7.344 1.00 42.33 H new ATOM 0 HG3 ARG A2086 7.892 8.837 6.361 1.00 42.33 H new ATOM 0 HD2 ARG A2086 8.922 6.797 5.886 1.00 34.52 H new ATOM 0 HD3 ARG A2086 9.580 7.770 4.585 1.00 34.52 H new ATOM 0 HE ARG A2086 11.708 7.602 5.551 1.00 3.52 H new ATOM 0 HH11 ARG A2086 9.236 6.819 8.004 1.00 74.22 H new ATOM 0 HH12 ARG A2086 10.424 6.328 9.216 1.00 74.22 H new ATOM 0 HH21 ARG A2086 13.210 6.972 7.100 1.00 54.12 H new ATOM 0 HH22 ARG A2086 12.689 6.417 8.695 1.00 54.12 H new ATOM 1205 N LYS A2087 8.982 12.227 3.210 1.00 13.40 N ATOM 1206 CA LYS A2087 9.424 13.428 2.519 1.00 15.03 C ATOM 1207 C LYS A2087 8.299 14.463 2.536 1.00 12.11 C ATOM 1208 O LYS A2087 8.532 15.633 2.838 1.00 62.34 O ATOM 1209 CB LYS A2087 9.924 13.085 1.115 1.00 12.34 C ATOM 1210 CG LYS A2087 11.264 12.348 1.175 1.00 0.22 C ATOM 1211 CD LYS A2087 11.664 11.823 -0.205 1.00 64.14 C ATOM 1212 CE LYS A2087 12.818 12.638 -0.790 1.00 50.35 C ATOM 1213 NZ LYS A2087 14.037 11.804 -0.901 1.00 35.13 N ATOM 0 H LYS A2087 9.017 11.375 2.650 1.00 13.40 H new ATOM 0 HA LYS A2087 10.275 13.873 3.034 1.00 15.03 H new ATOM 0 HB2 LYS A2087 9.187 12.466 0.604 1.00 12.34 H new ATOM 0 HB3 LYS A2087 10.033 13.999 0.531 1.00 12.34 H new ATOM 0 HG2 LYS A2087 12.036 13.020 1.550 1.00 0.22 H new ATOM 0 HG3 LYS A2087 11.195 11.518 1.878 1.00 0.22 H new ATOM 0 HD2 LYS A2087 11.956 10.776 -0.129 1.00 64.14 H new ATOM 0 HD3 LYS A2087 10.807 11.866 -0.877 1.00 64.14 H new ATOM 0 HE2 LYS A2087 12.540 13.019 -1.773 1.00 50.35 H new ATOM 0 HE3 LYS A2087 13.018 13.503 -0.157 1.00 50.35 H new ATOM 0 HZ1 LYS A2087 14.811 12.372 -1.300 1.00 35.13 H new ATOM 0 HZ2 LYS A2087 14.310 11.461 0.042 1.00 35.13 H new ATOM 0 HZ3 LYS A2087 13.847 10.993 -1.523 1.00 35.13 H new ATOM 1226 N TYR A2088 7.103 13.998 2.207 1.00 2.14 N ATOM 1227 CA TYR A2088 5.941 14.869 2.180 1.00 1.11 C ATOM 1228 C TYR A2088 5.487 15.223 3.596 1.00 13.33 C ATOM 1229 O TYR A2088 5.010 16.330 3.842 1.00 0.13 O ATOM 1230 CB TYR A2088 4.834 14.075 1.485 1.00 32.22 C ATOM 1231 CG TYR A2088 3.421 14.573 1.799 1.00 21.24 C ATOM 1232 CD1 TYR A2088 2.841 15.545 1.009 1.00 23.55 C ATOM 1233 CD2 TYR A2088 2.727 14.047 2.869 1.00 12.31 C ATOM 1234 CE1 TYR A2088 1.512 16.012 1.304 1.00 72.42 C ATOM 1235 CE2 TYR A2088 1.397 14.515 3.165 1.00 3.34 C ATOM 1236 CZ TYR A2088 0.855 15.473 2.368 1.00 55.54 C ATOM 1237 OH TYR A2088 -0.400 15.916 2.646 1.00 71.01 O ATOM 0 H TYR A2088 6.914 13.028 1.956 1.00 2.14 H new ATOM 0 HA TYR A2088 6.173 15.801 1.665 1.00 1.11 H new ATOM 0 HB2 TYR A2088 4.992 14.117 0.407 1.00 32.22 H new ATOM 0 HB3 TYR A2088 4.913 13.028 1.778 1.00 32.22 H new ATOM 0 HD1 TYR A2088 3.384 15.955 0.170 1.00 23.55 H new ATOM 0 HD2 TYR A2088 3.181 13.284 3.485 1.00 12.31 H new ATOM 0 HE1 TYR A2088 1.046 16.773 0.695 1.00 72.42 H new ATOM 0 HE2 TYR A2088 0.843 14.114 4.001 1.00 3.34 H new ATOM 0 HH TYR A2088 -0.748 15.443 3.431 1.00 71.01 H new ATOM 1247 N MET A2089 5.652 14.261 4.493 1.00 33.01 N ATOM 1248 CA MET A2089 5.264 14.456 5.881 1.00 44.53 C ATOM 1249 C MET A2089 6.120 15.540 6.541 1.00 71.23 C ATOM 1250 O MET A2089 5.631 16.298 7.377 1.00 70.42 O ATOM 1251 CB MET A2089 5.427 13.142 6.645 1.00 61.12 C ATOM 1252 CG MET A2089 4.309 12.159 6.290 1.00 64.32 C ATOM 1253 SD MET A2089 3.854 11.204 7.727 1.00 0.24 S ATOM 1254 CE MET A2089 2.079 11.207 7.553 1.00 32.43 C ATOM 0 H MET A2089 6.049 13.345 4.286 1.00 33.01 H new ATOM 0 HA MET A2089 4.222 14.775 5.907 1.00 44.53 H new ATOM 0 HB2 MET A2089 6.394 12.698 6.410 1.00 61.12 H new ATOM 0 HB3 MET A2089 5.418 13.337 7.717 1.00 61.12 H new ATOM 0 HG2 MET A2089 3.442 12.702 5.915 1.00 64.32 H new ATOM 0 HG3 MET A2089 4.638 11.494 5.491 1.00 64.32 H new ATOM 0 HE1 MET A2089 1.620 11.440 8.514 1.00 32.43 H new ATOM 0 HE2 MET A2089 1.787 11.958 6.819 1.00 32.43 H new ATOM 0 HE3 MET A2089 1.744 10.225 7.219 1.00 32.43 H new ATOM 1264 N LYS A2090 7.382 15.579 6.139 1.00 15.11 N ATOM 1265 CA LYS A2090 8.310 16.556 6.683 1.00 65.04 C ATOM 1266 C LYS A2090 8.385 17.760 5.740 1.00 73.33 C ATOM 1267 O LYS A2090 8.128 18.890 6.150 1.00 44.35 O ATOM 1268 CB LYS A2090 9.668 15.910 6.962 1.00 72.30 C ATOM 1269 CG LYS A2090 10.013 15.986 8.451 1.00 4.04 C ATOM 1270 CD LYS A2090 10.493 17.386 8.833 1.00 33.54 C ATOM 1271 CE LYS A2090 9.529 18.046 9.820 1.00 55.53 C ATOM 1272 NZ LYS A2090 10.255 18.984 10.705 1.00 0.13 N ATOM 0 H LYS A2090 7.783 14.950 5.443 1.00 15.11 H new ATOM 0 HA LYS A2090 7.955 16.923 7.646 1.00 65.04 H new ATOM 0 HB2 LYS A2090 9.653 14.869 6.641 1.00 72.30 H new ATOM 0 HB3 LYS A2090 10.441 16.412 6.379 1.00 72.30 H new ATOM 0 HG2 LYS A2090 9.137 15.724 9.044 1.00 4.04 H new ATOM 0 HG3 LYS A2090 10.787 15.256 8.686 1.00 4.04 H new ATOM 0 HD2 LYS A2090 11.487 17.325 9.276 1.00 33.54 H new ATOM 0 HD3 LYS A2090 10.580 18.001 7.938 1.00 33.54 H new ATOM 0 HE2 LYS A2090 8.750 18.580 9.275 1.00 55.53 H new ATOM 0 HE3 LYS A2090 9.033 17.282 10.419 1.00 55.53 H new ATOM 0 HZ1 LYS A2090 9.586 19.423 11.369 1.00 0.13 H new ATOM 0 HZ2 LYS A2090 10.982 18.466 11.238 1.00 0.13 H new ATOM 0 HZ3 LYS A2090 10.708 19.723 10.130 1.00 0.13 H new ATOM 1285 N SER A2091 8.736 17.475 4.495 1.00 4.11 N ATOM 1286 CA SER A2091 8.848 18.517 3.490 1.00 44.44 C ATOM 1287 C SER A2091 7.484 19.174 3.263 1.00 54.40 C ATOM 1288 O SER A2091 7.308 20.360 3.535 1.00 3.25 O ATOM 1289 CB SER A2091 9.396 17.962 2.175 1.00 23.33 C ATOM 1290 OG SER A2091 10.012 18.973 1.382 1.00 21.02 O ATOM 0 H SER A2091 8.947 16.535 4.159 1.00 4.11 H new ATOM 0 HA SER A2091 9.550 19.267 3.854 1.00 44.44 H new ATOM 0 HB2 SER A2091 10.121 17.177 2.388 1.00 23.33 H new ATOM 0 HB3 SER A2091 8.585 17.503 1.610 1.00 23.33 H new ATOM 0 HG SER A2091 10.350 18.577 0.552 1.00 21.02 H new ATOM 1296 N GLY A2092 6.553 18.372 2.765 1.00 53.52 N ATOM 1297 CA GLY A2092 5.211 18.859 2.497 1.00 15.24 C ATOM 1298 C GLY A2092 5.044 19.224 1.021 1.00 55.50 C ATOM 1299 O GLY A2092 5.102 20.398 0.657 1.00 1.33 O ATOM 0 H GLY A2092 6.702 17.388 2.540 1.00 53.52 H new ATOM 0 HA2 GLY A2092 4.482 18.096 2.771 1.00 15.24 H new ATOM 0 HA3 GLY A2092 5.007 19.732 3.116 1.00 15.24 H new ATOM 1303 N ASN A2093 4.841 18.197 0.210 1.00 72.04 N ATOM 1304 CA ASN A2093 4.664 18.396 -1.218 1.00 42.11 C ATOM 1305 C ASN A2093 3.776 17.282 -1.779 1.00 52.04 C ATOM 1306 O ASN A2093 4.199 16.130 -1.860 1.00 71.03 O ATOM 1307 CB ASN A2093 6.007 18.343 -1.951 1.00 1.11 C ATOM 1308 CG ASN A2093 6.288 19.660 -2.677 1.00 52.31 C ATOM 1309 OD1 ASN A2093 5.462 20.557 -2.733 1.00 33.44 O ATOM 1310 ND2 ASN A2093 7.496 19.727 -3.229 1.00 73.54 N ATOM 0 H ASN A2093 4.795 17.225 0.514 1.00 72.04 H new ATOM 0 HA ASN A2093 4.208 19.375 -1.368 1.00 42.11 H new ATOM 0 HB2 ASN A2093 6.806 18.139 -1.239 1.00 1.11 H new ATOM 0 HB3 ASN A2093 6.002 17.522 -2.668 1.00 1.11 H new ATOM 0 HD21 ASN A2093 7.779 20.565 -3.736 1.00 73.54 H new ATOM 0 HD22 ASN A2093 8.140 18.940 -3.145 1.00 73.54 H new ATOM 1317 N VAL A2094 2.565 17.666 -2.149 1.00 74.24 N ATOM 1318 CA VAL A2094 1.613 16.716 -2.699 1.00 32.00 C ATOM 1319 C VAL A2094 2.299 15.886 -3.786 1.00 35.20 C ATOM 1320 O VAL A2094 2.016 14.698 -3.936 1.00 25.14 O ATOM 1321 CB VAL A2094 0.369 17.450 -3.203 1.00 15.41 C ATOM 1322 CG1 VAL A2094 -0.363 16.626 -4.263 1.00 12.15 C ATOM 1323 CG2 VAL A2094 -0.564 17.808 -2.044 1.00 13.25 C ATOM 0 H VAL A2094 2.220 18.623 -2.079 1.00 74.24 H new ATOM 0 HA VAL A2094 1.274 16.026 -1.927 1.00 32.00 H new ATOM 0 HB VAL A2094 0.695 18.380 -3.669 1.00 15.41 H new ATOM 0 HG11 VAL A2094 -1.243 17.171 -4.604 1.00 12.15 H new ATOM 0 HG12 VAL A2094 0.302 16.446 -5.108 1.00 12.15 H new ATOM 0 HG13 VAL A2094 -0.671 15.672 -3.834 1.00 12.15 H new ATOM 0 HG21 VAL A2094 -1.440 18.329 -2.430 1.00 13.25 H new ATOM 0 HG22 VAL A2094 -0.878 16.897 -1.535 1.00 13.25 H new ATOM 0 HG23 VAL A2094 -0.039 18.454 -1.340 1.00 13.25 H new ATOM 1333 N LYS A2095 3.188 16.543 -4.514 1.00 43.05 N ATOM 1334 CA LYS A2095 3.916 15.881 -5.584 1.00 20.13 C ATOM 1335 C LYS A2095 4.508 14.573 -5.056 1.00 61.44 C ATOM 1336 O LYS A2095 4.310 13.515 -5.650 1.00 43.01 O ATOM 1337 CB LYS A2095 4.954 16.827 -6.190 1.00 3.33 C ATOM 1338 CG LYS A2095 5.684 16.164 -7.361 1.00 23.12 C ATOM 1339 CD LYS A2095 6.694 17.123 -7.992 1.00 1.02 C ATOM 1340 CE LYS A2095 8.107 16.535 -7.952 1.00 22.41 C ATOM 1341 NZ LYS A2095 8.415 15.839 -9.220 1.00 11.42 N ATOM 0 H LYS A2095 3.422 17.527 -4.385 1.00 43.05 H new ATOM 0 HA LYS A2095 3.243 15.620 -6.401 1.00 20.13 H new ATOM 0 HB2 LYS A2095 4.464 17.739 -6.532 1.00 3.33 H new ATOM 0 HB3 LYS A2095 5.675 17.119 -5.426 1.00 3.33 H new ATOM 0 HG2 LYS A2095 6.197 15.267 -7.013 1.00 23.12 H new ATOM 0 HG3 LYS A2095 4.961 15.846 -8.112 1.00 23.12 H new ATOM 0 HD2 LYS A2095 6.411 17.328 -9.024 1.00 1.02 H new ATOM 0 HD3 LYS A2095 6.677 18.075 -7.462 1.00 1.02 H new ATOM 0 HE2 LYS A2095 8.833 17.330 -7.781 1.00 22.41 H new ATOM 0 HE3 LYS A2095 8.194 15.839 -7.118 1.00 22.41 H new ATOM 0 HZ1 LYS A2095 9.377 15.446 -9.176 1.00 11.42 H new ATOM 0 HZ2 LYS A2095 7.733 15.068 -9.367 1.00 11.42 H new ATOM 0 HZ3 LYS A2095 8.352 16.513 -10.010 1.00 11.42 H new ATOM 1354 N ASP A2096 5.225 14.689 -3.948 1.00 1.25 N ATOM 1355 CA ASP A2096 5.847 13.529 -3.334 1.00 71.31 C ATOM 1356 C ASP A2096 4.759 12.566 -2.853 1.00 42.00 C ATOM 1357 O ASP A2096 4.929 11.349 -2.921 1.00 74.30 O ATOM 1358 CB ASP A2096 6.691 13.932 -2.122 1.00 63.20 C ATOM 1359 CG ASP A2096 8.116 14.383 -2.449 1.00 11.34 C ATOM 1360 OD1 ASP A2096 8.417 14.774 -3.585 1.00 63.05 O ATOM 1361 OD2 ASP A2096 8.946 14.318 -1.463 1.00 30.41 O ATOM 0 H ASP A2096 5.389 15.569 -3.460 1.00 1.25 H new ATOM 0 HA ASP A2096 6.488 13.057 -4.079 1.00 71.31 H new ATOM 0 HB2 ASP A2096 6.182 14.739 -1.596 1.00 63.20 H new ATOM 0 HB3 ASP A2096 6.742 13.087 -1.436 1.00 63.20 H new ATOM 1367 N LEU A2097 3.668 13.146 -2.379 1.00 52.41 N ATOM 1368 CA LEU A2097 2.552 12.355 -1.887 1.00 70.31 C ATOM 1369 C LEU A2097 1.965 11.538 -3.039 1.00 71.21 C ATOM 1370 O LEU A2097 1.735 10.338 -2.900 1.00 14.22 O ATOM 1371 CB LEU A2097 1.529 13.249 -1.184 1.00 42.42 C ATOM 1372 CG LEU A2097 0.220 12.577 -0.773 1.00 21.52 C ATOM 1373 CD1 LEU A2097 0.486 11.235 -0.085 1.00 21.02 C ATOM 1374 CD2 LEU A2097 -0.626 13.507 0.097 1.00 75.03 C ATOM 0 H LEU A2097 3.532 14.155 -2.325 1.00 52.41 H new ATOM 0 HA LEU A2097 2.892 11.646 -1.133 1.00 70.31 H new ATOM 0 HB2 LEU A2097 1.995 13.668 -0.292 1.00 42.42 H new ATOM 0 HB3 LEU A2097 1.294 14.085 -1.843 1.00 42.42 H new ATOM 0 HG LEU A2097 -0.355 12.370 -1.676 1.00 21.52 H new ATOM 0 HD11 LEU A2097 -0.462 10.777 0.198 1.00 21.02 H new ATOM 0 HD12 LEU A2097 1.018 10.574 -0.769 1.00 21.02 H new ATOM 0 HD13 LEU A2097 1.091 11.397 0.807 1.00 21.02 H new ATOM 0 HD21 LEU A2097 -1.552 13.003 0.375 1.00 75.03 H new ATOM 0 HD22 LEU A2097 -0.070 13.768 0.998 1.00 75.03 H new ATOM 0 HD23 LEU A2097 -0.860 14.414 -0.461 1.00 75.03 H new ATOM 1386 N THR A2098 1.739 12.220 -4.153 1.00 52.04 N ATOM 1387 CA THR A2098 1.183 11.573 -5.328 1.00 75.20 C ATOM 1388 C THR A2098 2.090 10.428 -5.785 1.00 53.22 C ATOM 1389 O THR A2098 1.610 9.351 -6.135 1.00 34.13 O ATOM 1390 CB THR A2098 0.969 12.643 -6.400 1.00 24.51 C ATOM 1391 OG1 THR A2098 -0.084 13.450 -5.878 1.00 70.10 O ATOM 1392 CG2 THR A2098 0.389 12.067 -7.694 1.00 1.14 C ATOM 0 H THR A2098 1.931 13.215 -4.266 1.00 52.04 H new ATOM 0 HA THR A2098 0.219 11.115 -5.109 1.00 75.20 H new ATOM 0 HB THR A2098 1.917 13.137 -6.615 1.00 24.51 H new ATOM 0 HG1 THR A2098 -0.805 12.874 -5.547 1.00 70.10 H new ATOM 0 HG21 THR A2098 0.257 12.868 -8.421 1.00 1.14 H new ATOM 0 HG22 THR A2098 1.072 11.319 -8.098 1.00 1.14 H new ATOM 0 HG23 THR A2098 -0.575 11.603 -7.486 1.00 1.14 H new ATOM 1400 N GLN A2099 3.386 10.701 -5.768 1.00 33.31 N ATOM 1401 CA GLN A2099 4.365 9.707 -6.177 1.00 32.11 C ATOM 1402 C GLN A2099 4.243 8.452 -5.309 1.00 74.35 C ATOM 1403 O GLN A2099 4.215 7.336 -5.826 1.00 43.55 O ATOM 1404 CB GLN A2099 5.783 10.279 -6.115 1.00 5.31 C ATOM 1405 CG GLN A2099 6.397 10.371 -7.515 1.00 2.24 C ATOM 1406 CD GLN A2099 7.014 9.034 -7.932 1.00 44.51 C ATOM 1407 OE1 GLN A2099 8.168 8.740 -7.660 1.00 55.34 O ATOM 1408 NE2 GLN A2099 6.186 8.242 -8.606 1.00 31.20 N ATOM 0 H GLN A2099 3.781 11.595 -5.478 1.00 33.31 H new ATOM 0 HA GLN A2099 4.163 9.430 -7.212 1.00 32.11 H new ATOM 0 HB2 GLN A2099 5.761 11.268 -5.658 1.00 5.31 H new ATOM 0 HB3 GLN A2099 6.406 9.649 -5.481 1.00 5.31 H new ATOM 0 HG2 GLN A2099 5.631 10.662 -8.234 1.00 2.24 H new ATOM 0 HG3 GLN A2099 7.161 11.149 -7.531 1.00 2.24 H new ATOM 0 HE21 GLN A2099 5.233 8.548 -8.800 1.00 31.20 H new ATOM 0 HE22 GLN A2099 6.504 7.328 -8.929 1.00 31.20 H new ATOM 1417 N ALA A2100 4.169 8.678 -4.006 1.00 63.30 N ATOM 1418 CA ALA A2100 4.048 7.579 -3.062 1.00 4.52 C ATOM 1419 C ALA A2100 2.757 6.810 -3.343 1.00 21.52 C ATOM 1420 O ALA A2100 2.742 5.581 -3.312 1.00 44.01 O ATOM 1421 CB ALA A2100 4.105 8.125 -1.633 1.00 45.54 C ATOM 0 H ALA A2100 4.190 9.605 -3.581 1.00 63.30 H new ATOM 0 HA ALA A2100 4.877 6.881 -3.177 1.00 4.52 H new ATOM 0 HB1 ALA A2100 4.014 7.301 -0.925 1.00 45.54 H new ATOM 0 HB2 ALA A2100 5.055 8.635 -1.476 1.00 45.54 H new ATOM 0 HB3 ALA A2100 3.286 8.828 -1.479 1.00 45.54 H new ATOM 1427 N TRP A2101 1.703 7.567 -3.612 1.00 74.13 N ATOM 1428 CA TRP A2101 0.408 6.972 -3.897 1.00 44.54 C ATOM 1429 C TRP A2101 0.556 6.093 -5.141 1.00 51.32 C ATOM 1430 O TRP A2101 0.003 4.996 -5.199 1.00 12.32 O ATOM 1431 CB TRP A2101 -0.668 8.048 -4.050 1.00 63.12 C ATOM 1432 CG TRP A2101 -1.691 8.072 -2.914 1.00 61.12 C ATOM 1433 CD1 TRP A2101 -1.893 9.035 -2.004 1.00 44.01 C ATOM 1434 CD2 TRP A2101 -2.653 7.041 -2.602 1.00 23.21 C ATOM 1435 NE1 TRP A2101 -2.909 8.703 -1.132 1.00 2.23 N ATOM 1436 CE2 TRP A2101 -3.386 7.451 -1.506 1.00 53.44 C ATOM 1437 CE3 TRP A2101 -2.896 5.804 -3.222 1.00 42.21 C ATOM 1438 CZ2 TRP A2101 -4.409 6.684 -0.937 1.00 34.21 C ATOM 1439 CZ3 TRP A2101 -3.921 5.049 -2.643 1.00 33.42 C ATOM 1440 CH2 TRP A2101 -4.668 5.448 -1.539 1.00 3.33 C ATOM 0 H TRP A2101 1.719 8.587 -3.639 1.00 74.13 H new ATOM 0 HA TRP A2101 0.079 6.348 -3.066 1.00 44.54 H new ATOM 0 HB2 TRP A2101 -0.185 9.023 -4.111 1.00 63.12 H new ATOM 0 HB3 TRP A2101 -1.192 7.892 -4.993 1.00 63.12 H new ATOM 0 HD1 TRP A2101 -1.331 9.956 -1.959 1.00 44.01 H new ATOM 0 HE1 TRP A2101 -3.248 9.271 -0.356 1.00 2.23 H new ATOM 0 HE3 TRP A2101 -2.335 5.463 -4.079 1.00 42.21 H new ATOM 0 HZ2 TRP A2101 -4.968 7.028 -0.079 1.00 34.21 H new ATOM 0 HZ3 TRP A2101 -4.149 4.090 -3.083 1.00 33.42 H new ATOM 0 HH2 TRP A2101 -5.444 4.806 -1.149 1.00 3.33 H new ATOM 1451 N ASP A2102 1.304 6.608 -6.105 1.00 42.54 N ATOM 1452 CA ASP A2102 1.532 5.884 -7.344 1.00 43.41 C ATOM 1453 C ASP A2102 2.186 4.537 -7.029 1.00 24.15 C ATOM 1454 O ASP A2102 1.726 3.496 -7.498 1.00 13.44 O ATOM 1455 CB ASP A2102 2.470 6.658 -8.271 1.00 52.43 C ATOM 1456 CG ASP A2102 1.875 7.029 -9.630 1.00 52.33 C ATOM 1457 OD1 ASP A2102 1.016 6.314 -10.167 1.00 53.33 O ATOM 1458 OD2 ASP A2102 2.335 8.117 -10.149 1.00 73.43 O ATOM 0 H ASP A2102 1.760 7.519 -6.053 1.00 42.54 H new ATOM 0 HA ASP A2102 0.569 5.749 -7.837 1.00 43.41 H new ATOM 0 HB2 ASP A2102 2.782 7.572 -7.766 1.00 52.43 H new ATOM 0 HB3 ASP A2102 3.368 6.062 -8.435 1.00 52.43 H new ATOM 1464 N LEU A2103 3.247 4.599 -6.237 1.00 40.35 N ATOM 1465 CA LEU A2103 3.967 3.399 -5.855 1.00 63.21 C ATOM 1466 C LEU A2103 2.989 2.396 -5.239 1.00 31.15 C ATOM 1467 O LEU A2103 2.908 1.250 -5.681 1.00 15.35 O ATOM 1468 CB LEU A2103 5.145 3.747 -4.943 1.00 43.51 C ATOM 1469 CG LEU A2103 6.441 4.153 -5.648 1.00 11.52 C ATOM 1470 CD1 LEU A2103 6.437 5.646 -5.985 1.00 5.35 C ATOM 1471 CD2 LEU A2103 7.664 3.757 -4.815 1.00 45.33 C ATOM 0 H LEU A2103 3.625 5.464 -5.850 1.00 40.35 H new ATOM 0 HA LEU A2103 4.403 2.922 -6.733 1.00 63.21 H new ATOM 0 HB2 LEU A2103 4.842 4.562 -4.285 1.00 43.51 H new ATOM 0 HB3 LEU A2103 5.354 2.886 -4.308 1.00 43.51 H new ATOM 0 HG LEU A2103 6.503 3.610 -6.591 1.00 11.52 H new ATOM 0 HD11 LEU A2103 7.369 5.909 -6.485 1.00 5.35 H new ATOM 0 HD12 LEU A2103 5.597 5.868 -6.643 1.00 5.35 H new ATOM 0 HD13 LEU A2103 6.342 6.226 -5.067 1.00 5.35 H new ATOM 0 HD21 LEU A2103 8.573 4.056 -5.338 1.00 45.33 H new ATOM 0 HD22 LEU A2103 7.621 4.255 -3.847 1.00 45.33 H new ATOM 0 HD23 LEU A2103 7.669 2.677 -4.667 1.00 45.33 H new ATOM 1483 N TYR A2104 2.270 2.865 -4.229 1.00 21.33 N ATOM 1484 CA TYR A2104 1.300 2.023 -3.549 1.00 22.13 C ATOM 1485 C TYR A2104 0.297 1.430 -4.539 1.00 44.25 C ATOM 1486 O TYR A2104 0.161 0.211 -4.636 1.00 63.21 O ATOM 1487 CB TYR A2104 0.556 2.939 -2.575 1.00 2.44 C ATOM 1488 CG TYR A2104 1.373 3.329 -1.343 1.00 35.22 C ATOM 1489 CD1 TYR A2104 2.178 2.395 -0.721 1.00 41.34 C ATOM 1490 CD2 TYR A2104 1.305 4.617 -0.849 1.00 32.43 C ATOM 1491 CE1 TYR A2104 2.946 2.763 0.440 1.00 51.02 C ATOM 1492 CE2 TYR A2104 2.074 4.985 0.312 1.00 53.35 C ATOM 1493 CZ TYR A2104 2.855 4.040 0.899 1.00 14.24 C ATOM 1494 OH TYR A2104 3.581 4.387 1.995 1.00 21.31 O ATOM 0 H TYR A2104 2.340 3.816 -3.866 1.00 21.33 H new ATOM 0 HA TYR A2104 1.798 1.194 -3.047 1.00 22.13 H new ATOM 0 HB2 TYR A2104 0.256 3.845 -3.101 1.00 2.44 H new ATOM 0 HB3 TYR A2104 -0.358 2.442 -2.250 1.00 2.44 H new ATOM 0 HD1 TYR A2104 2.232 1.387 -1.106 1.00 41.34 H new ATOM 0 HD2 TYR A2104 0.675 5.348 -1.333 1.00 32.43 H new ATOM 0 HE1 TYR A2104 3.580 2.042 0.935 1.00 51.02 H new ATOM 0 HE2 TYR A2104 2.031 5.989 0.707 1.00 53.35 H new ATOM 0 HH TYR A2104 3.419 5.329 2.210 1.00 21.31 H new ATOM 1504 N TYR A2105 -0.380 2.320 -5.251 1.00 2.02 N ATOM 1505 CA TYR A2105 -1.366 1.900 -6.231 1.00 44.11 C ATOM 1506 C TYR A2105 -0.789 0.837 -7.170 1.00 25.53 C ATOM 1507 O TYR A2105 -1.507 -0.053 -7.623 1.00 73.23 O ATOM 1508 CB TYR A2105 -1.710 3.148 -7.045 1.00 55.14 C ATOM 1509 CG TYR A2105 -3.165 3.205 -7.514 1.00 23.45 C ATOM 1510 CD1 TYR A2105 -3.797 2.053 -7.939 1.00 12.20 C ATOM 1511 CD2 TYR A2105 -3.845 4.405 -7.513 1.00 30.41 C ATOM 1512 CE1 TYR A2105 -5.167 2.106 -8.380 1.00 65.15 C ATOM 1513 CE2 TYR A2105 -5.214 4.458 -7.955 1.00 53.35 C ATOM 1514 CZ TYR A2105 -5.808 3.304 -8.367 1.00 60.31 C ATOM 1515 OH TYR A2105 -7.103 3.354 -8.785 1.00 45.11 O ATOM 0 H TYR A2105 -0.264 3.330 -5.168 1.00 2.02 H new ATOM 0 HA TYR A2105 -2.237 1.469 -5.737 1.00 44.11 H new ATOM 0 HB2 TYR A2105 -1.499 4.032 -6.443 1.00 55.14 H new ATOM 0 HB3 TYR A2105 -1.056 3.192 -7.916 1.00 55.14 H new ATOM 0 HD1 TYR A2105 -3.264 1.113 -7.941 1.00 12.20 H new ATOM 0 HD2 TYR A2105 -3.350 5.305 -7.180 1.00 30.41 H new ATOM 0 HE1 TYR A2105 -5.674 1.213 -8.714 1.00 65.15 H new ATOM 0 HE2 TYR A2105 -5.757 5.391 -7.960 1.00 53.35 H new ATOM 0 HH TYR A2105 -7.432 4.275 -8.720 1.00 45.11 H new ATOM 1525 N HIS A2106 0.502 0.966 -7.434 1.00 24.32 N ATOM 1526 CA HIS A2106 1.185 0.028 -8.311 1.00 14.02 C ATOM 1527 C HIS A2106 1.153 -1.369 -7.690 1.00 3.15 C ATOM 1528 O HIS A2106 0.735 -2.330 -8.334 1.00 64.41 O ATOM 1529 CB HIS A2106 2.605 0.509 -8.622 1.00 62.43 C ATOM 1530 CG HIS A2106 2.961 0.459 -10.088 1.00 15.12 C ATOM 1531 ND1 HIS A2106 2.797 1.541 -10.936 1.00 0.05 N ATOM 1532 CD2 HIS A2106 3.476 -0.550 -10.846 1.00 52.21 C ATOM 1533 CE1 HIS A2106 3.199 1.186 -12.148 1.00 72.42 C ATOM 1534 NE2 HIS A2106 3.618 -0.111 -12.089 1.00 64.02 N ATOM 0 H HIS A2106 1.094 1.706 -7.057 1.00 24.32 H new ATOM 0 HA HIS A2106 0.666 -0.026 -9.268 1.00 14.02 H new ATOM 0 HB2 HIS A2106 2.717 1.533 -8.266 1.00 62.43 H new ATOM 0 HB3 HIS A2106 3.315 -0.102 -8.065 1.00 62.43 H new ATOM 0 HD2 HIS A2106 3.726 -1.540 -10.494 1.00 52.21 H new ATOM 0 HE1 HIS A2106 3.196 1.813 -13.027 1.00 72.42 H new ATOM 0 HE2 HIS A2106 3.981 -0.654 -12.873 1.00 64.02 H new ATOM 1543 N VAL A2107 1.603 -1.439 -6.445 1.00 41.14 N ATOM 1544 CA VAL A2107 1.633 -2.703 -5.729 1.00 64.43 C ATOM 1545 C VAL A2107 0.199 -3.153 -5.438 1.00 41.11 C ATOM 1546 O VAL A2107 -0.142 -4.319 -5.636 1.00 74.23 O ATOM 1547 CB VAL A2107 2.486 -2.571 -4.468 1.00 34.35 C ATOM 1548 CG1 VAL A2107 3.704 -1.681 -4.720 1.00 10.10 C ATOM 1549 CG2 VAL A2107 1.655 -2.043 -3.296 1.00 64.43 C ATOM 0 H VAL A2107 1.950 -0.640 -5.914 1.00 41.14 H new ATOM 0 HA VAL A2107 2.099 -3.477 -6.339 1.00 64.43 H new ATOM 0 HB VAL A2107 2.846 -3.565 -4.203 1.00 34.35 H new ATOM 0 HG11 VAL A2107 4.294 -1.604 -3.806 1.00 10.10 H new ATOM 0 HG12 VAL A2107 4.315 -2.116 -5.511 1.00 10.10 H new ATOM 0 HG13 VAL A2107 3.372 -0.688 -5.023 1.00 10.10 H new ATOM 0 HG21 VAL A2107 2.286 -1.959 -2.411 1.00 64.43 H new ATOM 0 HG22 VAL A2107 1.251 -1.063 -3.549 1.00 64.43 H new ATOM 0 HG23 VAL A2107 0.835 -2.731 -3.092 1.00 64.43 H new ATOM 1559 N PHE A2108 -0.602 -2.205 -4.973 1.00 3.45 N ATOM 1560 CA PHE A2108 -1.990 -2.488 -4.653 1.00 34.13 C ATOM 1561 C PHE A2108 -2.775 -2.876 -5.908 1.00 0.53 C ATOM 1562 O PHE A2108 -3.738 -3.639 -5.833 1.00 1.22 O ATOM 1563 CB PHE A2108 -2.586 -1.206 -4.070 1.00 2.52 C ATOM 1564 CG PHE A2108 -2.368 -1.047 -2.564 1.00 24.04 C ATOM 1565 CD1 PHE A2108 -1.123 -0.781 -2.081 1.00 23.14 C ATOM 1566 CD2 PHE A2108 -3.416 -1.173 -1.707 1.00 33.30 C ATOM 1567 CE1 PHE A2108 -0.920 -0.634 -0.683 1.00 5.32 C ATOM 1568 CE2 PHE A2108 -3.213 -1.027 -0.309 1.00 51.12 C ATOM 1569 CZ PHE A2108 -1.969 -0.760 0.173 1.00 54.12 C ATOM 0 H PHE A2108 -0.315 -1.240 -4.810 1.00 3.45 H new ATOM 0 HA PHE A2108 -2.047 -3.319 -3.950 1.00 34.13 H new ATOM 0 HB2 PHE A2108 -2.149 -0.349 -4.582 1.00 2.52 H new ATOM 0 HB3 PHE A2108 -3.656 -1.189 -4.276 1.00 2.52 H new ATOM 0 HD1 PHE A2108 -0.290 -0.682 -2.761 1.00 23.14 H new ATOM 0 HD2 PHE A2108 -4.404 -1.384 -2.090 1.00 33.30 H new ATOM 0 HE1 PHE A2108 0.067 -0.422 -0.300 1.00 5.32 H new ATOM 0 HE2 PHE A2108 -4.046 -1.128 0.371 1.00 51.12 H new ATOM 0 HZ PHE A2108 -1.815 -0.648 1.236 1.00 54.12 H new ATOM 1579 N ARG A2109 -2.334 -2.333 -7.034 1.00 30.23 N ATOM 1580 CA ARG A2109 -2.983 -2.613 -8.304 1.00 13.20 C ATOM 1581 C ARG A2109 -2.562 -3.988 -8.823 1.00 53.21 C ATOM 1582 O ARG A2109 -3.356 -4.689 -9.451 1.00 4.21 O ATOM 1583 CB ARG A2109 -2.630 -1.551 -9.347 1.00 62.23 C ATOM 1584 CG ARG A2109 -3.149 -1.948 -10.730 1.00 72.14 C ATOM 1585 CD ARG A2109 -2.663 -0.969 -11.802 1.00 1.11 C ATOM 1586 NE ARG A2109 -3.793 -0.144 -12.283 1.00 63.20 N ATOM 1587 CZ ARG A2109 -4.745 -0.588 -13.130 1.00 40.02 C ATOM 1588 NH1 ARG A2109 -4.712 -1.855 -13.598 1.00 31.30 N ATOM 1589 NH2 ARG A2109 -5.710 0.235 -13.496 1.00 25.00 N ATOM 0 H ARG A2109 -1.536 -1.701 -7.093 1.00 30.23 H new ATOM 0 HA ARG A2109 -4.060 -2.599 -8.137 1.00 13.20 H new ATOM 0 HB2 ARG A2109 -3.059 -0.592 -9.055 1.00 62.23 H new ATOM 0 HB3 ARG A2109 -1.549 -1.418 -9.385 1.00 62.23 H new ATOM 0 HG2 ARG A2109 -2.812 -2.956 -10.973 1.00 72.14 H new ATOM 0 HG3 ARG A2109 -4.239 -1.970 -10.720 1.00 72.14 H new ATOM 0 HD2 ARG A2109 -1.882 -0.328 -11.394 1.00 1.11 H new ATOM 0 HD3 ARG A2109 -2.222 -1.518 -12.634 1.00 1.11 H new ATOM 0 HE ARG A2109 -3.856 0.819 -11.954 1.00 63.20 H new ATOM 0 HH11 ARG A2109 -3.963 -2.485 -13.311 1.00 31.30 H new ATOM 0 HH12 ARG A2109 -5.436 -2.181 -14.238 1.00 31.30 H new ATOM 0 HH21 ARG A2109 -5.728 1.190 -13.139 1.00 25.00 H new ATOM 0 HH22 ARG A2109 -6.437 -0.084 -14.136 1.00 25.00 H new ATOM 1601 N ARG A2110 -1.315 -4.336 -8.543 1.00 74.32 N ATOM 1602 CA ARG A2110 -0.779 -5.617 -8.974 1.00 54.42 C ATOM 1603 C ARG A2110 -1.463 -6.759 -8.220 1.00 75.23 C ATOM 1604 O ARG A2110 -1.951 -7.707 -8.833 1.00 74.33 O ATOM 1605 CB ARG A2110 0.730 -5.689 -8.737 1.00 30.14 C ATOM 1606 CG ARG A2110 1.307 -6.996 -9.284 1.00 1.43 C ATOM 1607 CD ARG A2110 1.580 -6.889 -10.787 1.00 3.02 C ATOM 1608 NE ARG A2110 1.331 -8.193 -11.441 1.00 14.52 N ATOM 1609 CZ ARG A2110 1.754 -8.510 -12.683 1.00 74.54 C ATOM 1610 NH1 ARG A2110 2.451 -7.617 -13.418 1.00 62.13 N ATOM 1611 NH2 ARG A2110 1.475 -9.705 -13.169 1.00 72.42 N ATOM 0 H ARG A2110 -0.659 -3.753 -8.023 1.00 74.32 H new ATOM 0 HA ARG A2110 -0.972 -5.716 -10.042 1.00 54.42 H new ATOM 0 HB2 ARG A2110 1.219 -4.842 -9.218 1.00 30.14 H new ATOM 0 HB3 ARG A2110 0.939 -5.613 -7.670 1.00 30.14 H new ATOM 0 HG2 ARG A2110 2.231 -7.237 -8.759 1.00 1.43 H new ATOM 0 HG3 ARG A2110 0.610 -7.813 -9.095 1.00 1.43 H new ATOM 0 HD2 ARG A2110 0.941 -6.124 -11.227 1.00 3.02 H new ATOM 0 HD3 ARG A2110 2.611 -6.579 -10.956 1.00 3.02 H new ATOM 0 HE ARG A2110 0.807 -8.896 -10.921 1.00 14.52 H new ATOM 0 HH11 ARG A2110 2.661 -6.695 -13.035 1.00 62.13 H new ATOM 0 HH12 ARG A2110 2.767 -7.864 -14.356 1.00 62.13 H new ATOM 0 HH21 ARG A2110 0.947 -10.373 -12.608 1.00 72.42 H new ATOM 0 HH22 ARG A2110 1.787 -9.960 -14.106 1.00 72.42 H new ATOM 1623 N ILE A2111 -1.475 -6.630 -6.902 1.00 52.11 N ATOM 1624 CA ILE A2111 -2.091 -7.639 -6.056 1.00 62.12 C ATOM 1625 C ILE A2111 -3.443 -8.041 -6.651 1.00 52.31 C ATOM 1626 O ILE A2111 -3.815 -9.213 -6.626 1.00 42.40 O ATOM 1627 CB ILE A2111 -2.176 -7.149 -4.610 1.00 64.34 C ATOM 1628 CG1 ILE A2111 -2.787 -5.749 -4.541 1.00 45.32 C ATOM 1629 CG2 ILE A2111 -0.809 -7.214 -3.928 1.00 72.13 C ATOM 1630 CD1 ILE A2111 -2.969 -5.300 -3.091 1.00 22.33 C ATOM 0 H ILE A2111 -1.068 -5.842 -6.398 1.00 52.11 H new ATOM 0 HA ILE A2111 -1.475 -8.538 -6.026 1.00 62.12 H new ATOM 0 HB ILE A2111 -2.840 -7.816 -4.061 1.00 64.34 H new ATOM 0 HG12 ILE A2111 -2.145 -5.042 -5.066 1.00 45.32 H new ATOM 0 HG13 ILE A2111 -3.751 -5.744 -5.051 1.00 45.32 H new ATOM 0 HG21 ILE A2111 -0.898 -6.860 -2.901 1.00 72.13 H new ATOM 0 HG22 ILE A2111 -0.451 -8.244 -3.927 1.00 72.13 H new ATOM 0 HG23 ILE A2111 -0.102 -6.585 -4.469 1.00 72.13 H new ATOM 0 HD11 ILE A2111 -3.405 -4.301 -3.071 1.00 22.33 H new ATOM 0 HD12 ILE A2111 -3.631 -5.995 -2.575 1.00 22.33 H new ATOM 0 HD13 ILE A2111 -2.001 -5.283 -2.591 1.00 22.33 H new ATOM 1642 N SER A2112 -4.142 -7.044 -7.173 1.00 33.50 N ATOM 1643 CA SER A2112 -5.445 -7.277 -7.772 1.00 22.53 C ATOM 1644 C SER A2112 -5.279 -7.759 -9.214 1.00 71.45 C ATOM 1645 O SER A2112 -5.822 -8.797 -9.593 1.00 34.03 O ATOM 1646 CB SER A2112 -6.306 -6.013 -7.732 1.00 40.10 C ATOM 1647 OG SER A2112 -7.575 -6.248 -7.130 1.00 35.11 O ATOM 0 H SER A2112 -3.831 -6.073 -7.194 1.00 33.50 H new ATOM 0 HA SER A2112 -5.953 -8.048 -7.193 1.00 22.53 H new ATOM 0 HB2 SER A2112 -5.781 -5.235 -7.178 1.00 40.10 H new ATOM 0 HB3 SER A2112 -6.450 -5.641 -8.746 1.00 40.10 H new ATOM 0 HG SER A2112 -8.093 -5.416 -7.123 1.00 35.11 H new ATOM 1653 N LYS A2113 -4.526 -6.985 -9.981 1.00 31.43 N ATOM 1654 CA LYS A2113 -4.280 -7.320 -11.373 1.00 71.10 C ATOM 1655 C LYS A2113 -4.066 -8.829 -11.499 1.00 3.32 C ATOM 1656 O LYS A2113 -3.319 -9.421 -10.720 1.00 0.13 O ATOM 1657 CB LYS A2113 -3.126 -6.486 -11.930 1.00 50.41 C ATOM 1658 CG LYS A2113 -3.623 -5.501 -12.991 1.00 51.41 C ATOM 1659 CD LYS A2113 -3.728 -6.176 -14.359 1.00 2.21 C ATOM 1660 CE LYS A2113 -2.581 -5.740 -15.275 1.00 34.34 C ATOM 1661 NZ LYS A2113 -2.684 -6.411 -16.590 1.00 70.31 N ATOM 0 H LYS A2113 -4.077 -6.125 -9.664 1.00 31.43 H new ATOM 0 HA LYS A2113 -5.147 -7.068 -11.984 1.00 71.10 H new ATOM 0 HB2 LYS A2113 -2.643 -5.940 -11.120 1.00 50.41 H new ATOM 0 HB3 LYS A2113 -2.373 -7.144 -12.364 1.00 50.41 H new ATOM 0 HG2 LYS A2113 -4.597 -5.108 -12.700 1.00 51.41 H new ATOM 0 HG3 LYS A2113 -2.942 -4.652 -13.052 1.00 51.41 H new ATOM 0 HD2 LYS A2113 -3.709 -7.259 -14.237 1.00 2.21 H new ATOM 0 HD3 LYS A2113 -4.683 -5.924 -14.821 1.00 2.21 H new ATOM 0 HE2 LYS A2113 -2.606 -4.659 -15.409 1.00 34.34 H new ATOM 0 HE3 LYS A2113 -1.625 -5.982 -14.811 1.00 34.34 H new ATOM 0 HZ1 LYS A2113 -1.899 -6.104 -17.199 1.00 70.31 H new ATOM 0 HZ2 LYS A2113 -2.638 -7.442 -16.458 1.00 70.31 H new ATOM 0 HZ3 LYS A2113 -3.588 -6.159 -17.038 1.00 70.31 H new ATOM 1674 N GLN A2114 -4.732 -9.409 -12.486 1.00 20.41 N ATOM 1675 CA GLN A2114 -4.623 -10.840 -12.724 1.00 15.33 C ATOM 1676 C GLN A2114 -4.780 -11.142 -14.215 1.00 63.11 C ATOM 1677 O GLN A2114 -5.225 -10.289 -14.983 1.00 31.41 O ATOM 1678 CB GLN A2114 -5.652 -11.613 -11.896 1.00 1.53 C ATOM 1679 CG GLN A2114 -7.070 -11.129 -12.193 1.00 24.41 C ATOM 1680 CD GLN A2114 -8.108 -12.132 -11.686 1.00 74.31 C ATOM 1681 OE1 GLN A2114 -7.816 -13.030 -10.914 1.00 73.22 O ATOM 1682 NE2 GLN A2114 -9.335 -11.929 -12.161 1.00 52.43 N ATOM 0 H GLN A2114 -5.349 -8.915 -13.131 1.00 20.41 H new ATOM 0 HA GLN A2114 -3.632 -11.168 -12.409 1.00 15.33 H new ATOM 0 HB2 GLN A2114 -5.574 -12.678 -12.115 1.00 1.53 H new ATOM 0 HB3 GLN A2114 -5.437 -11.489 -10.835 1.00 1.53 H new ATOM 0 HG2 GLN A2114 -7.234 -10.160 -11.721 1.00 24.41 H new ATOM 0 HG3 GLN A2114 -7.192 -10.985 -13.267 1.00 24.41 H new ATOM 0 HE21 GLN A2114 -9.512 -11.158 -12.805 1.00 52.43 H new ATOM 0 HE22 GLN A2114 -10.099 -12.545 -11.881 1.00 52.43 H new TER 1691 GLN A2114