USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2026 MET CE :methyl 156:sc= -6.14! (180deg=-4.72!) USER MOD Set 1.2: A2057 MET CE :methyl 175:sc= -2.93! (180deg=0) USER MOD Set 1.3: A2058 MET CE :methyl 148:sc= -16.2! (180deg=-10.6!) USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-3.8!) USER MOD Single : A2028 HIS : no HD1:sc= -0.421 K(o=-0.42,f=-3.5!) USER MOD Single : A2035 SER OG : rot -75:sc= 0.861 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.7) USER MOD Single : A2045 LYS NZ :NH3+ -162:sc= -0.6 (180deg=-1.1) USER MOD Single : A2047 MET CE :methyl -135:sc= -8.66! (180deg=-16.6!) USER MOD Single : A2055 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-0.52) USER MOD Single : A2063 GLN : amide:sc= -0.0138 K(o=-0.014,f=-0.74) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 65:sc= 0.258 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.355 K(o=-0.35,f=1) USER MOD Single : A2072 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2074 TYR OH : rot 180:sc= 0 USER MOD Single : A2079 MET CE :methyl 155:sc= -0.0715 (180deg=-0.372) USER MOD Single : A2082 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.7!) USER MOD Single : A2085 CYS SG : rot 85:sc= -0.343! 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 -109:sc= -2.84 (180deg=-8.6!) USER MOD Single : A2090 LYS NZ :NH3+ -161:sc= -0.0788 (180deg=-0.552) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.354 K(o=-0.35,f=-3.2!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 75:sc= 0.232 USER MOD Single : A2099 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.58) 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= -0.189 K(o=-0.19,f=-0.84) USER MOD Single : A2112 SER OG : rot 180:sc= 0.0946 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc= -0.504 K(o=-0.5,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -16.094 -9.466 4.349 1.00 31.02 N ATOM 2 CA MET A2014 -17.134 -9.228 3.362 1.00 1.24 C ATOM 3 C MET A2014 -16.740 -8.092 2.415 1.00 33.33 C ATOM 4 O MET A2014 -17.180 -6.956 2.588 1.00 63.11 O ATOM 5 CB MET A2014 -18.441 -8.873 4.072 1.00 55.31 C ATOM 6 CG MET A2014 -19.632 -9.559 3.403 1.00 70.52 C ATOM 7 SD MET A2014 -20.885 -8.353 3.002 1.00 33.40 S ATOM 8 CE MET A2014 -21.568 -8.064 4.625 1.00 21.34 C ATOM 0 HA MET A2014 -17.267 -10.136 2.774 1.00 1.24 H new ATOM 0 HB2 MET A2014 -18.384 -9.174 5.118 1.00 55.31 H new ATOM 0 HB3 MET A2014 -18.584 -7.793 4.058 1.00 55.31 H new ATOM 0 HG2 MET A2014 -19.306 -10.071 2.498 1.00 70.52 H new ATOM 0 HG3 MET A2014 -20.045 -10.318 4.067 1.00 70.52 H new ATOM 0 HE1 MET A2014 -22.370 -7.329 4.557 1.00 21.34 H new ATOM 0 HE2 MET A2014 -21.964 -8.998 5.025 1.00 21.34 H new ATOM 0 HE3 MET A2014 -20.787 -7.688 5.287 1.00 21.34 H new ATOM 18 N GLU A2015 -15.916 -8.437 1.437 1.00 25.30 N ATOM 19 CA GLU A2015 -15.460 -7.461 0.464 1.00 52.32 C ATOM 20 C GLU A2015 -15.987 -7.811 -0.928 1.00 41.12 C ATOM 21 O GLU A2015 -15.939 -6.988 -1.841 1.00 20.14 O ATOM 22 CB GLU A2015 -13.933 -7.362 0.463 1.00 44.53 C ATOM 23 CG GLU A2015 -13.429 -6.643 1.716 1.00 4.23 C ATOM 24 CD GLU A2015 -13.974 -5.216 1.787 1.00 2.34 C ATOM 25 OE1 GLU A2015 -14.999 -4.975 2.441 1.00 13.13 O ATOM 26 OE2 GLU A2015 -13.292 -4.339 1.131 1.00 55.23 O ATOM 0 H GLU A2015 -15.552 -9.380 1.298 1.00 25.30 H new ATOM 0 HA GLU A2015 -15.856 -6.485 0.745 1.00 52.32 H new ATOM 0 HB2 GLU A2015 -13.500 -8.361 0.414 1.00 44.53 H new ATOM 0 HB3 GLU A2015 -13.600 -6.827 -0.426 1.00 44.53 H new ATOM 0 HG2 GLU A2015 -13.733 -7.197 2.604 1.00 4.23 H new ATOM 0 HG3 GLU A2015 -12.339 -6.620 1.713 1.00 4.23 H new ATOM 34 N LEU A2016 -16.481 -9.035 -1.047 1.00 62.13 N ATOM 35 CA LEU A2016 -17.018 -9.505 -2.313 1.00 23.14 C ATOM 36 C LEU A2016 -15.867 -9.951 -3.216 1.00 44.25 C ATOM 37 O LEU A2016 -14.972 -9.165 -3.522 1.00 71.55 O ATOM 38 CB LEU A2016 -17.917 -8.439 -2.943 1.00 22.24 C ATOM 39 CG LEU A2016 -19.307 -8.907 -3.380 1.00 41.15 C ATOM 40 CD1 LEU A2016 -20.392 -7.954 -2.869 1.00 3.41 C ATOM 41 CD2 LEU A2016 -19.373 -9.088 -4.896 1.00 25.43 C ATOM 0 H LEU A2016 -16.521 -9.715 -0.288 1.00 62.13 H new ATOM 0 HA LEU A2016 -17.656 -10.375 -2.157 1.00 23.14 H new ATOM 0 HB2 LEU A2016 -18.037 -7.625 -2.228 1.00 22.24 H new ATOM 0 HB3 LEU A2016 -17.404 -8.027 -3.812 1.00 22.24 H new ATOM 0 HG LEU A2016 -19.496 -9.882 -2.931 1.00 41.15 H new ATOM 0 HD11 LEU A2016 -21.370 -8.309 -3.193 1.00 3.41 H new ATOM 0 HD12 LEU A2016 -20.361 -7.918 -1.780 1.00 3.41 H new ATOM 0 HD13 LEU A2016 -20.217 -6.955 -3.270 1.00 3.41 H new ATOM 0 HD21 LEU A2016 -20.371 -9.421 -5.180 1.00 25.43 H new ATOM 0 HD22 LEU A2016 -19.154 -8.139 -5.386 1.00 25.43 H new ATOM 0 HD23 LEU A2016 -18.640 -9.833 -5.206 1.00 25.43 H new ATOM 53 N ILE A2017 -15.926 -11.212 -3.619 1.00 61.02 N ATOM 54 CA ILE A2017 -14.900 -11.772 -4.481 1.00 23.40 C ATOM 55 C ILE A2017 -13.576 -11.831 -3.717 1.00 64.25 C ATOM 56 O ILE A2017 -13.164 -12.898 -3.262 1.00 64.42 O ATOM 57 CB ILE A2017 -14.817 -10.990 -5.795 1.00 71.32 C ATOM 58 CG1 ILE A2017 -15.899 -11.451 -6.775 1.00 41.33 C ATOM 59 CG2 ILE A2017 -13.417 -11.084 -6.403 1.00 53.32 C ATOM 60 CD1 ILE A2017 -16.786 -10.280 -7.203 1.00 12.11 C ATOM 0 H ILE A2017 -16.669 -11.862 -3.364 1.00 61.02 H new ATOM 0 HA ILE A2017 -15.154 -12.794 -4.761 1.00 23.40 H new ATOM 0 HB ILE A2017 -15.003 -9.938 -5.579 1.00 71.32 H new ATOM 0 HG12 ILE A2017 -15.433 -11.899 -7.653 1.00 41.33 H new ATOM 0 HG13 ILE A2017 -16.511 -12.224 -6.310 1.00 41.33 H new ATOM 0 HG21 ILE A2017 -13.386 -10.520 -7.335 1.00 53.32 H new ATOM 0 HG22 ILE A2017 -12.689 -10.671 -5.705 1.00 53.32 H new ATOM 0 HG23 ILE A2017 -13.177 -12.128 -6.603 1.00 53.32 H new ATOM 0 HD11 ILE A2017 -17.546 -10.635 -7.899 1.00 12.11 H new ATOM 0 HD12 ILE A2017 -17.269 -9.850 -6.326 1.00 12.11 H new ATOM 0 HD13 ILE A2017 -16.175 -9.520 -7.690 1.00 12.11 H new ATOM 72 N ARG A2018 -12.944 -10.672 -3.601 1.00 1.24 N ATOM 73 CA ARG A2018 -11.674 -10.580 -2.901 1.00 43.11 C ATOM 74 C ARG A2018 -11.724 -11.384 -1.601 1.00 12.00 C ATOM 75 O ARG A2018 -12.416 -11.003 -0.657 1.00 62.25 O ATOM 76 CB ARG A2018 -11.328 -9.124 -2.579 1.00 2.23 C ATOM 77 CG ARG A2018 -9.819 -8.888 -2.661 1.00 63.21 C ATOM 78 CD ARG A2018 -9.414 -8.403 -4.055 1.00 21.52 C ATOM 79 NE ARG A2018 -8.777 -9.504 -4.809 1.00 64.24 N ATOM 80 CZ ARG A2018 -8.445 -9.434 -6.116 1.00 1.22 C ATOM 81 NH1 ARG A2018 -8.689 -8.312 -6.826 1.00 52.53 N ATOM 82 NH2 ARG A2018 -7.878 -10.479 -6.690 1.00 23.11 N ATOM 0 H ARG A2018 -13.288 -9.789 -3.980 1.00 1.24 H new ATOM 0 HA ARG A2018 -10.904 -10.989 -3.555 1.00 43.11 H new ATOM 0 HB2 ARG A2018 -11.842 -8.462 -3.276 1.00 2.23 H new ATOM 0 HB3 ARG A2018 -11.685 -8.874 -1.580 1.00 2.23 H new ATOM 0 HG2 ARG A2018 -9.522 -8.151 -1.915 1.00 63.21 H new ATOM 0 HG3 ARG A2018 -9.290 -9.811 -2.425 1.00 63.21 H new ATOM 0 HD2 ARG A2018 -10.291 -8.043 -4.593 1.00 21.52 H new ATOM 0 HD3 ARG A2018 -8.725 -7.563 -3.971 1.00 21.52 H new ATOM 0 HE ARG A2018 -8.576 -10.371 -4.311 1.00 64.24 H new ATOM 0 HH11 ARG A2018 -9.127 -7.509 -6.376 1.00 52.53 H new ATOM 0 HH12 ARG A2018 -8.435 -8.268 -7.813 1.00 52.53 H new ATOM 0 HH21 ARG A2018 -7.697 -11.323 -6.147 1.00 23.11 H new ATOM 0 HH22 ARG A2018 -7.621 -10.442 -7.676 1.00 23.11 H new ATOM 94 N VAL A2019 -10.984 -12.481 -1.593 1.00 0.33 N ATOM 95 CA VAL A2019 -10.935 -13.343 -0.423 1.00 23.01 C ATOM 96 C VAL A2019 -10.895 -12.481 0.840 1.00 1.02 C ATOM 97 O VAL A2019 -10.175 -11.484 0.893 1.00 44.23 O ATOM 98 CB VAL A2019 -9.749 -14.304 -0.530 1.00 11.13 C ATOM 99 CG1 VAL A2019 -9.530 -15.053 0.786 1.00 63.52 C ATOM 100 CG2 VAL A2019 -9.936 -15.280 -1.691 1.00 43.33 C ATOM 0 H VAL A2019 -10.413 -12.794 -2.378 1.00 0.33 H new ATOM 0 HA VAL A2019 -11.832 -13.960 -0.366 1.00 23.01 H new ATOM 0 HB VAL A2019 -8.856 -13.712 -0.732 1.00 11.13 H new ATOM 0 HG11 VAL A2019 -8.681 -15.729 0.683 1.00 63.52 H new ATOM 0 HG12 VAL A2019 -9.329 -14.337 1.583 1.00 63.52 H new ATOM 0 HG13 VAL A2019 -10.424 -15.627 1.031 1.00 63.52 H new ATOM 0 HG21 VAL A2019 -9.079 -15.951 -1.744 1.00 43.33 H new ATOM 0 HG22 VAL A2019 -10.844 -15.863 -1.534 1.00 43.33 H new ATOM 0 HG23 VAL A2019 -10.019 -14.723 -2.624 1.00 43.33 H new ATOM 110 N PRO A2020 -11.696 -12.906 1.852 1.00 50.05 N ATOM 111 CA PRO A2020 -11.759 -12.182 3.112 1.00 4.14 C ATOM 112 C PRO A2020 -10.505 -12.436 3.952 1.00 22.43 C ATOM 113 O PRO A2020 -9.991 -11.525 4.597 1.00 64.43 O ATOM 114 CB PRO A2020 -13.032 -12.670 3.781 1.00 11.23 C ATOM 115 CG PRO A2020 -13.391 -13.979 3.096 1.00 24.11 C ATOM 116 CD PRO A2020 -12.563 -14.080 1.826 1.00 61.11 C ATOM 0 HA PRO A2020 -11.786 -11.101 2.977 1.00 4.14 H new ATOM 0 HB2 PRO A2020 -12.879 -12.818 4.850 1.00 11.23 H new ATOM 0 HB3 PRO A2020 -13.834 -11.940 3.672 1.00 11.23 H new ATOM 0 HG2 PRO A2020 -13.186 -14.823 3.754 1.00 24.11 H new ATOM 0 HG3 PRO A2020 -14.455 -14.008 2.862 1.00 24.11 H new ATOM 0 HD2 PRO A2020 -11.981 -15.001 1.806 1.00 61.11 H new ATOM 0 HD3 PRO A2020 -13.197 -14.084 0.940 1.00 61.11 H new ATOM 124 N ILE A2021 -10.051 -13.681 3.918 1.00 65.14 N ATOM 125 CA ILE A2021 -8.869 -14.066 4.666 1.00 53.54 C ATOM 126 C ILE A2021 -7.651 -14.046 3.740 1.00 72.02 C ATOM 127 O ILE A2021 -7.003 -15.071 3.537 1.00 54.22 O ATOM 128 CB ILE A2021 -9.088 -15.411 5.362 1.00 54.13 C ATOM 129 CG1 ILE A2021 -10.453 -15.453 6.052 1.00 34.15 C ATOM 130 CG2 ILE A2021 -7.946 -15.721 6.332 1.00 72.25 C ATOM 131 CD1 ILE A2021 -10.589 -16.706 6.921 1.00 33.31 C ATOM 0 H ILE A2021 -10.482 -14.435 3.383 1.00 65.14 H new ATOM 0 HA ILE A2021 -8.675 -13.348 5.463 1.00 53.54 H new ATOM 0 HB ILE A2021 -9.085 -16.193 4.603 1.00 54.13 H new ATOM 0 HG12 ILE A2021 -10.581 -14.563 6.668 1.00 34.15 H new ATOM 0 HG13 ILE A2021 -11.244 -15.438 5.302 1.00 34.15 H new ATOM 0 HG21 ILE A2021 -8.128 -16.682 6.812 1.00 72.25 H new ATOM 0 HG22 ILE A2021 -7.004 -15.761 5.784 1.00 72.25 H new ATOM 0 HG23 ILE A2021 -7.891 -14.941 7.091 1.00 72.25 H new ATOM 0 HD11 ILE A2021 -11.568 -16.712 7.400 1.00 33.31 H new ATOM 0 HD12 ILE A2021 -10.485 -17.594 6.298 1.00 33.31 H new ATOM 0 HD13 ILE A2021 -9.811 -16.705 7.685 1.00 33.31 H new ATOM 143 N LEU A2022 -7.379 -12.868 3.198 1.00 22.10 N ATOM 144 CA LEU A2022 -6.252 -12.701 2.296 1.00 44.44 C ATOM 145 C LEU A2022 -5.651 -11.308 2.490 1.00 75.15 C ATOM 146 O LEU A2022 -6.359 -10.366 2.849 1.00 1.44 O ATOM 147 CB LEU A2022 -6.671 -12.994 0.854 1.00 13.11 C ATOM 148 CG LEU A2022 -5.761 -13.944 0.072 1.00 41.51 C ATOM 149 CD1 LEU A2022 -4.294 -13.529 0.201 1.00 35.10 C ATOM 150 CD2 LEU A2022 -5.986 -15.396 0.499 1.00 22.22 C ATOM 0 H LEU A2022 -7.920 -12.020 3.366 1.00 22.10 H new ATOM 0 HA LEU A2022 -5.469 -13.422 2.529 1.00 44.44 H new ATOM 0 HB2 LEU A2022 -7.677 -13.414 0.867 1.00 13.11 H new ATOM 0 HB3 LEU A2022 -6.727 -12.049 0.314 1.00 13.11 H new ATOM 0 HG LEU A2022 -6.023 -13.875 -0.984 1.00 41.51 H new ATOM 0 HD11 LEU A2022 -3.669 -14.221 -0.364 1.00 35.10 H new ATOM 0 HD12 LEU A2022 -4.165 -12.520 -0.192 1.00 35.10 H new ATOM 0 HD13 LEU A2022 -4.001 -13.550 1.251 1.00 35.10 H new ATOM 0 HD21 LEU A2022 -5.327 -16.050 -0.072 1.00 22.22 H new ATOM 0 HD22 LEU A2022 -5.768 -15.501 1.562 1.00 22.22 H new ATOM 0 HD23 LEU A2022 -7.023 -15.674 0.312 1.00 22.22 H new ATOM 162 N TRP A2023 -4.353 -11.217 2.244 1.00 63.41 N ATOM 163 CA TRP A2023 -3.649 -9.953 2.384 1.00 32.45 C ATOM 164 C TRP A2023 -4.237 -8.969 1.372 1.00 51.25 C ATOM 165 O TRP A2023 -4.618 -7.856 1.732 1.00 22.43 O ATOM 166 CB TRP A2023 -2.140 -10.145 2.226 1.00 43.40 C ATOM 167 CG TRP A2023 -1.405 -10.415 3.542 1.00 42.24 C ATOM 168 CD1 TRP A2023 -1.926 -10.796 4.715 1.00 54.30 C ATOM 169 CD2 TRP A2023 0.016 -10.308 3.769 1.00 13.32 C ATOM 170 NE1 TRP A2023 -0.950 -10.941 5.680 1.00 71.32 N ATOM 171 CE2 TRP A2023 0.268 -10.634 5.087 1.00 3.22 C ATOM 172 CE3 TRP A2023 1.053 -9.944 2.893 1.00 44.21 C ATOM 173 CZ2 TRP A2023 1.553 -10.632 5.644 1.00 54.41 C ATOM 174 CZ3 TRP A2023 2.330 -9.947 3.466 1.00 12.41 C ATOM 175 CH2 TRP A2023 2.602 -10.274 4.789 1.00 12.22 C ATOM 0 H TRP A2023 -3.769 -11.999 1.948 1.00 63.41 H new ATOM 0 HA TRP A2023 -3.786 -9.544 3.385 1.00 32.45 H new ATOM 0 HB2 TRP A2023 -1.959 -10.976 1.544 1.00 43.40 H new ATOM 0 HB3 TRP A2023 -1.717 -9.254 1.762 1.00 43.40 H new ATOM 0 HD1 TRP A2023 -2.979 -10.968 4.885 1.00 54.30 H new ATOM 0 HE1 TRP A2023 -1.096 -11.222 6.650 1.00 71.32 H new ATOM 0 HE3 TRP A2023 0.878 -9.683 1.860 1.00 44.21 H new ATOM 0 HZ2 TRP A2023 1.725 -10.893 6.678 1.00 54.41 H new ATOM 0 HZ3 TRP A2023 3.163 -9.676 2.835 1.00 12.41 H new ATOM 0 HH2 TRP A2023 3.618 -10.252 5.156 1.00 12.22 H new ATOM 186 N HIS A2024 -4.290 -9.414 0.126 1.00 45.15 N ATOM 187 CA HIS A2024 -4.823 -8.584 -0.943 1.00 33.12 C ATOM 188 C HIS A2024 -6.132 -7.939 -0.484 1.00 72.04 C ATOM 189 O HIS A2024 -6.545 -6.913 -1.026 1.00 32.01 O ATOM 190 CB HIS A2024 -4.981 -9.395 -2.230 1.00 50.53 C ATOM 191 CG HIS A2024 -3.979 -10.514 -2.379 1.00 71.10 C ATOM 192 ND1 HIS A2024 -4.343 -11.850 -2.381 1.00 24.43 N ATOM 193 CD2 HIS A2024 -2.624 -10.484 -2.530 1.00 64.23 C ATOM 194 CE1 HIS A2024 -3.248 -12.582 -2.526 1.00 70.42 C ATOM 195 NE2 HIS A2024 -2.185 -11.733 -2.619 1.00 2.44 N ATOM 0 H HIS A2024 -3.973 -10.338 -0.168 1.00 45.15 H new ATOM 0 HA HIS A2024 -4.122 -7.781 -1.172 1.00 33.12 H new ATOM 0 HB2 HIS A2024 -5.986 -9.815 -2.261 1.00 50.53 H new ATOM 0 HB3 HIS A2024 -4.890 -8.723 -3.084 1.00 50.53 H new ATOM 0 HD2 HIS A2024 -2.012 -9.595 -2.570 1.00 64.23 H new ATOM 0 HE1 HIS A2024 -3.205 -13.660 -2.564 1.00 70.42 H new ATOM 0 HE2 HIS A2024 -1.211 -12.012 -2.738 1.00 2.44 H new ATOM 204 N GLU A2025 -6.749 -8.564 0.507 1.00 2.32 N ATOM 205 CA GLU A2025 -8.002 -8.063 1.043 1.00 54.32 C ATOM 206 C GLU A2025 -7.769 -6.760 1.809 1.00 52.22 C ATOM 207 O GLU A2025 -8.566 -5.827 1.714 1.00 75.21 O ATOM 208 CB GLU A2025 -8.676 -9.109 1.935 1.00 3.03 C ATOM 209 CG GLU A2025 -10.155 -8.782 2.144 1.00 23.45 C ATOM 210 CD GLU A2025 -10.409 -8.267 3.561 1.00 32.02 C ATOM 211 OE1 GLU A2025 -9.633 -7.444 4.069 1.00 31.32 O ATOM 212 OE2 GLU A2025 -11.457 -8.751 4.138 1.00 3.54 O ATOM 0 H GLU A2025 -6.404 -9.414 0.953 1.00 2.32 H new ATOM 0 HA GLU A2025 -8.673 -7.857 0.209 1.00 54.32 H new ATOM 0 HB2 GLU A2025 -8.579 -10.095 1.482 1.00 3.03 H new ATOM 0 HB3 GLU A2025 -8.169 -9.150 2.899 1.00 3.03 H new ATOM 0 HG2 GLU A2025 -10.471 -8.032 1.419 1.00 23.45 H new ATOM 0 HG3 GLU A2025 -10.757 -9.673 1.964 1.00 23.45 H new ATOM 220 N MET A2026 -6.672 -6.736 2.551 1.00 11.40 N ATOM 221 CA MET A2026 -6.324 -5.561 3.333 1.00 15.41 C ATOM 222 C MET A2026 -5.860 -4.418 2.429 1.00 54.35 C ATOM 223 O MET A2026 -6.097 -3.250 2.727 1.00 34.30 O ATOM 224 CB MET A2026 -5.209 -5.916 4.319 1.00 31.13 C ATOM 225 CG MET A2026 -3.836 -5.842 3.647 1.00 43.54 C ATOM 226 SD MET A2026 -3.203 -4.175 3.738 1.00 61.22 S ATOM 227 CE MET A2026 -1.453 -4.513 3.841 1.00 73.41 C ATOM 0 H MET A2026 -6.013 -7.510 2.628 1.00 11.40 H new ATOM 0 HA MET A2026 -7.211 -5.233 3.875 1.00 15.41 H new ATOM 0 HB2 MET A2026 -5.239 -5.233 5.168 1.00 31.13 H new ATOM 0 HB3 MET A2026 -5.372 -6.920 4.711 1.00 31.13 H new ATOM 0 HG2 MET A2026 -3.145 -6.530 4.135 1.00 43.54 H new ATOM 0 HG3 MET A2026 -3.914 -6.154 2.606 1.00 43.54 H new ATOM 0 HE1 MET A2026 -0.894 -3.648 3.484 1.00 73.41 H new ATOM 0 HE2 MET A2026 -1.182 -4.718 4.877 1.00 73.41 H new ATOM 0 HE3 MET A2026 -1.213 -5.380 3.225 1.00 73.41 H new ATOM 237 N TRP A2027 -5.204 -4.796 1.340 1.00 51.50 N ATOM 238 CA TRP A2027 -4.703 -3.817 0.390 1.00 73.42 C ATOM 239 C TRP A2027 -5.907 -3.146 -0.273 1.00 74.25 C ATOM 240 O TRP A2027 -5.974 -1.919 -0.347 1.00 33.43 O ATOM 241 CB TRP A2027 -3.752 -4.467 -0.616 1.00 53.15 C ATOM 242 CG TRP A2027 -2.443 -4.967 -0.001 1.00 44.55 C ATOM 243 CD1 TRP A2027 -2.245 -6.070 0.731 1.00 51.53 C ATOM 244 CD2 TRP A2027 -1.150 -4.333 -0.098 1.00 41.23 C ATOM 245 NE1 TRP A2027 -0.924 -6.193 1.113 1.00 40.22 N ATOM 246 CE2 TRP A2027 -0.237 -5.102 0.592 1.00 21.21 C ATOM 247 CE3 TRP A2027 -0.766 -3.145 -0.748 1.00 34.43 C ATOM 248 CZ2 TRP A2027 1.118 -4.771 0.700 1.00 50.44 C ATOM 249 CZ3 TRP A2027 0.593 -2.828 -0.630 1.00 62.11 C ATOM 250 CH2 TRP A2027 1.525 -3.593 0.062 1.00 51.13 C ATOM 0 H TRP A2027 -5.008 -5.767 1.095 1.00 51.50 H new ATOM 0 HA TRP A2027 -4.113 -3.053 0.896 1.00 73.42 H new ATOM 0 HB2 TRP A2027 -4.261 -5.305 -1.093 1.00 53.15 H new ATOM 0 HB3 TRP A2027 -3.521 -3.746 -1.400 1.00 53.15 H new ATOM 0 HD1 TRP A2027 -3.021 -6.775 0.990 1.00 51.53 H new ATOM 0 HE1 TRP A2027 -0.525 -6.946 1.674 1.00 40.22 H new ATOM 0 HE3 TRP A2027 -1.464 -2.527 -1.294 1.00 34.43 H new ATOM 0 HZ2 TRP A2027 1.813 -5.391 1.246 1.00 50.44 H new ATOM 0 HZ3 TRP A2027 0.942 -1.926 -1.110 1.00 62.11 H new ATOM 0 HH2 TRP A2027 2.558 -3.280 0.107 1.00 51.13 H new ATOM 261 N HIS A2028 -6.828 -3.976 -0.738 1.00 1.03 N ATOM 262 CA HIS A2028 -8.025 -3.477 -1.390 1.00 71.13 C ATOM 263 C HIS A2028 -8.862 -2.677 -0.391 1.00 3.34 C ATOM 264 O HIS A2028 -9.308 -1.571 -0.693 1.00 13.11 O ATOM 265 CB HIS A2028 -8.809 -4.622 -2.037 1.00 41.13 C ATOM 266 CG HIS A2028 -10.307 -4.485 -1.916 1.00 34.55 C ATOM 267 ND1 HIS A2028 -11.077 -3.814 -2.850 1.00 51.53 N ATOM 268 CD2 HIS A2028 -11.170 -4.942 -0.964 1.00 54.02 C ATOM 269 CE1 HIS A2028 -12.343 -3.870 -2.465 1.00 71.25 C ATOM 270 NE2 HIS A2028 -12.399 -4.568 -1.295 1.00 33.23 N ATOM 0 H HIS A2028 -6.769 -4.992 -0.676 1.00 1.03 H new ATOM 0 HA HIS A2028 -7.746 -2.801 -2.198 1.00 71.13 H new ATOM 0 HB2 HIS A2028 -8.544 -4.679 -3.093 1.00 41.13 H new ATOM 0 HB3 HIS A2028 -8.502 -5.563 -1.580 1.00 41.13 H new ATOM 0 HD2 HIS A2028 -10.899 -5.512 -0.088 1.00 54.02 H new ATOM 0 HE1 HIS A2028 -13.184 -3.438 -2.987 1.00 71.25 H new ATOM 0 HE2 HIS A2028 -13.245 -4.769 -0.763 1.00 33.23 H new ATOM 279 N GLU A2029 -9.050 -3.267 0.781 1.00 1.02 N ATOM 280 CA GLU A2029 -9.823 -2.624 1.828 1.00 32.34 C ATOM 281 C GLU A2029 -9.108 -1.365 2.320 1.00 53.34 C ATOM 282 O GLU A2029 -9.749 -0.353 2.602 1.00 12.10 O ATOM 283 CB GLU A2029 -10.092 -3.590 2.984 1.00 31.22 C ATOM 284 CG GLU A2029 -10.225 -2.836 4.308 1.00 14.43 C ATOM 285 CD GLU A2029 -11.208 -3.542 5.244 1.00 54.11 C ATOM 286 OE1 GLU A2029 -12.245 -2.965 5.606 1.00 71.33 O ATOM 287 OE2 GLU A2029 -10.865 -4.734 5.598 1.00 62.30 O ATOM 0 H GLU A2029 -8.679 -4.185 1.028 1.00 1.02 H new ATOM 0 HA GLU A2029 -10.787 -2.331 1.412 1.00 32.34 H new ATOM 0 HB2 GLU A2029 -11.005 -4.152 2.788 1.00 31.22 H new ATOM 0 HB3 GLU A2029 -9.281 -4.314 3.054 1.00 31.22 H new ATOM 0 HG2 GLU A2029 -9.249 -2.762 4.788 1.00 14.43 H new ATOM 0 HG3 GLU A2029 -10.565 -1.818 4.118 1.00 14.43 H new ATOM 295 N GLY A2030 -7.791 -1.468 2.409 1.00 64.23 N ATOM 296 CA GLY A2030 -6.980 -0.350 2.861 1.00 75.52 C ATOM 297 C GLY A2030 -7.216 0.885 1.991 1.00 43.42 C ATOM 298 O GLY A2030 -7.696 1.910 2.476 1.00 63.31 O ATOM 0 H GLY A2030 -7.264 -2.310 2.176 1.00 64.23 H new ATOM 0 HA2 GLY A2030 -7.219 -0.119 3.899 1.00 75.52 H new ATOM 0 HA3 GLY A2030 -5.926 -0.625 2.830 1.00 75.52 H new ATOM 302 N LEU A2031 -6.867 0.750 0.719 1.00 75.33 N ATOM 303 CA LEU A2031 -7.034 1.842 -0.223 1.00 21.10 C ATOM 304 C LEU A2031 -8.512 2.237 -0.283 1.00 13.41 C ATOM 305 O LEU A2031 -8.838 3.404 -0.495 1.00 1.44 O ATOM 306 CB LEU A2031 -6.440 1.472 -1.585 1.00 33.05 C ATOM 307 CG LEU A2031 -5.038 0.860 -1.560 1.00 71.35 C ATOM 308 CD1 LEU A2031 -4.318 1.090 -2.891 1.00 0.23 C ATOM 309 CD2 LEU A2031 -4.230 1.391 -0.373 1.00 23.50 C ATOM 0 H LEU A2031 -6.469 -0.100 0.320 1.00 75.33 H new ATOM 0 HA LEU A2031 -6.482 2.720 0.111 1.00 21.10 H new ATOM 0 HB2 LEU A2031 -7.114 0.768 -2.074 1.00 33.05 H new ATOM 0 HB3 LEU A2031 -6.412 2.369 -2.203 1.00 33.05 H new ATOM 0 HG LEU A2031 -5.136 -0.217 -1.427 1.00 71.35 H new ATOM 0 HD11 LEU A2031 -3.324 0.646 -2.848 1.00 0.23 H new ATOM 0 HD12 LEU A2031 -4.887 0.628 -3.697 1.00 0.23 H new ATOM 0 HD13 LEU A2031 -4.230 2.160 -3.077 1.00 0.23 H new ATOM 0 HD21 LEU A2031 -3.237 0.941 -0.378 1.00 23.50 H new ATOM 0 HD22 LEU A2031 -4.137 2.474 -0.451 1.00 23.50 H new ATOM 0 HD23 LEU A2031 -4.739 1.137 0.557 1.00 23.50 H new ATOM 321 N GLU A2032 -9.365 1.242 -0.095 1.00 5.01 N ATOM 322 CA GLU A2032 -10.800 1.470 -0.125 1.00 63.22 C ATOM 323 C GLU A2032 -11.180 2.589 0.847 1.00 4.23 C ATOM 324 O GLU A2032 -11.850 3.547 0.463 1.00 54.30 O ATOM 325 CB GLU A2032 -11.566 0.184 0.193 1.00 31.14 C ATOM 326 CG GLU A2032 -12.027 -0.510 -1.090 1.00 60.31 C ATOM 327 CD GLU A2032 -13.347 0.082 -1.590 1.00 3.51 C ATOM 328 OE1 GLU A2032 -13.652 1.247 -1.303 1.00 75.34 O ATOM 329 OE2 GLU A2032 -14.067 -0.719 -2.303 1.00 64.15 O ATOM 0 H GLU A2032 -9.090 0.275 0.079 1.00 5.01 H new ATOM 0 HA GLU A2032 -11.078 1.780 -1.132 1.00 63.22 H new ATOM 0 HB2 GLU A2032 -10.930 -0.490 0.767 1.00 31.14 H new ATOM 0 HB3 GLU A2032 -12.430 0.415 0.816 1.00 31.14 H new ATOM 0 HG2 GLU A2032 -11.262 -0.405 -1.860 1.00 60.31 H new ATOM 0 HG3 GLU A2032 -12.149 -1.577 -0.906 1.00 60.31 H new ATOM 337 N GLU A2033 -10.735 2.430 2.084 1.00 34.30 N ATOM 338 CA GLU A2033 -11.020 3.416 3.114 1.00 42.21 C ATOM 339 C GLU A2033 -10.075 4.611 2.980 1.00 31.34 C ATOM 340 O GLU A2033 -10.517 5.759 2.973 1.00 23.44 O ATOM 341 CB GLU A2033 -10.925 2.795 4.508 1.00 34.52 C ATOM 342 CG GLU A2033 -11.727 3.607 5.526 1.00 33.31 C ATOM 343 CD GLU A2033 -12.192 2.725 6.688 1.00 51.13 C ATOM 344 OE1 GLU A2033 -12.294 1.499 6.534 1.00 30.01 O ATOM 345 OE2 GLU A2033 -12.451 3.358 7.782 1.00 44.40 O ATOM 0 H GLU A2033 -10.179 1.634 2.397 1.00 34.30 H new ATOM 0 HA GLU A2033 -12.042 3.769 2.979 1.00 42.21 H new ATOM 0 HB2 GLU A2033 -11.297 1.771 4.480 1.00 34.52 H new ATOM 0 HB3 GLU A2033 -9.881 2.746 4.818 1.00 34.52 H new ATOM 0 HG2 GLU A2033 -11.115 4.424 5.908 1.00 33.31 H new ATOM 0 HG3 GLU A2033 -12.591 4.057 5.038 1.00 33.31 H new ATOM 353 N ALA A2034 -8.792 4.301 2.878 1.00 42.33 N ATOM 354 CA ALA A2034 -7.779 5.337 2.745 1.00 21.34 C ATOM 355 C ALA A2034 -8.161 6.270 1.593 1.00 51.33 C ATOM 356 O ALA A2034 -8.165 7.489 1.756 1.00 52.13 O ATOM 357 CB ALA A2034 -6.409 4.687 2.541 1.00 64.13 C ATOM 0 H ALA A2034 -8.429 3.348 2.885 1.00 42.33 H new ATOM 0 HA ALA A2034 -7.722 5.939 3.652 1.00 21.34 H new ATOM 0 HB1 ALA A2034 -5.650 5.463 2.441 1.00 64.13 H new ATOM 0 HB2 ALA A2034 -6.174 4.057 3.399 1.00 64.13 H new ATOM 0 HB3 ALA A2034 -6.426 4.078 1.637 1.00 64.13 H new ATOM 363 N SER A2035 -8.470 5.663 0.458 1.00 3.44 N ATOM 364 CA SER A2035 -8.849 6.424 -0.720 1.00 20.03 C ATOM 365 C SER A2035 -10.204 7.096 -0.492 1.00 43.31 C ATOM 366 O SER A2035 -10.384 8.267 -0.824 1.00 43.20 O ATOM 367 CB SER A2035 -8.902 5.530 -1.960 1.00 70.14 C ATOM 368 OG SER A2035 -10.105 4.768 -2.020 1.00 42.04 O ATOM 0 H SER A2035 -8.466 4.651 0.328 1.00 3.44 H new ATOM 0 HA SER A2035 -8.093 7.191 -0.891 1.00 20.03 H new ATOM 0 HB2 SER A2035 -8.819 6.147 -2.855 1.00 70.14 H new ATOM 0 HB3 SER A2035 -8.046 4.855 -1.957 1.00 70.14 H new ATOM 0 HG SER A2035 -10.058 4.031 -1.376 1.00 42.04 H new ATOM 374 N ARG A2036 -11.123 6.328 0.073 1.00 1.44 N ATOM 375 CA ARG A2036 -12.457 6.835 0.350 1.00 53.45 C ATOM 376 C ARG A2036 -12.375 8.123 1.171 1.00 63.23 C ATOM 377 O ARG A2036 -12.968 9.136 0.803 1.00 12.11 O ATOM 378 CB ARG A2036 -13.292 5.804 1.113 1.00 45.14 C ATOM 379 CG ARG A2036 -14.038 4.879 0.148 1.00 53.33 C ATOM 380 CD ARG A2036 -14.455 3.583 0.843 1.00 5.34 C ATOM 381 NE ARG A2036 -15.915 3.585 1.085 1.00 44.52 N ATOM 382 CZ ARG A2036 -16.843 3.527 0.106 1.00 15.13 C ATOM 383 NH1 ARG A2036 -16.470 3.463 -1.189 1.00 21.44 N ATOM 384 NH2 ARG A2036 -18.121 3.535 0.437 1.00 62.32 N ATOM 0 H ARG A2036 -10.971 5.357 0.347 1.00 1.44 H new ATOM 0 HA ARG A2036 -12.939 7.039 -0.606 1.00 53.45 H new ATOM 0 HB2 ARG A2036 -12.644 5.213 1.761 1.00 45.14 H new ATOM 0 HB3 ARG A2036 -14.007 6.315 1.758 1.00 45.14 H new ATOM 0 HG2 ARG A2036 -14.920 5.388 -0.240 1.00 53.33 H new ATOM 0 HG3 ARG A2036 -13.401 4.649 -0.706 1.00 53.33 H new ATOM 0 HD2 ARG A2036 -14.181 2.726 0.227 1.00 5.34 H new ATOM 0 HD3 ARG A2036 -13.922 3.480 1.788 1.00 5.34 H new ATOM 0 HE ARG A2036 -16.240 3.633 2.051 1.00 44.52 H new ATOM 0 HH11 ARG A2036 -15.480 3.458 -1.435 1.00 21.44 H new ATOM 0 HH12 ARG A2036 -17.178 3.419 -1.922 1.00 21.44 H new ATOM 0 HH21 ARG A2036 -18.393 3.584 1.419 1.00 62.32 H new ATOM 0 HH22 ARG A2036 -18.836 3.492 -0.289 1.00 62.32 H new ATOM 396 N LEU A2037 -11.636 8.043 2.267 1.00 2.24 N ATOM 397 CA LEU A2037 -11.469 9.190 3.143 1.00 71.11 C ATOM 398 C LEU A2037 -10.621 10.248 2.435 1.00 14.13 C ATOM 399 O LEU A2037 -10.908 11.441 2.525 1.00 24.31 O ATOM 400 CB LEU A2037 -10.903 8.753 4.496 1.00 13.15 C ATOM 401 CG LEU A2037 -9.530 8.081 4.462 1.00 3.32 C ATOM 402 CD1 LEU A2037 -8.409 9.115 4.565 1.00 42.15 C ATOM 403 CD2 LEU A2037 -9.420 7.006 5.547 1.00 44.52 C ATOM 0 H LEU A2037 -11.146 7.201 2.569 1.00 2.24 H new ATOM 0 HA LEU A2037 -12.434 9.647 3.360 1.00 71.11 H new ATOM 0 HB2 LEU A2037 -10.841 9.629 5.142 1.00 13.15 H new ATOM 0 HB3 LEU A2037 -11.611 8.065 4.959 1.00 13.15 H new ATOM 0 HG LEU A2037 -9.418 7.582 3.500 1.00 3.32 H new ATOM 0 HD11 LEU A2037 -7.444 8.609 4.538 1.00 42.15 H new ATOM 0 HD12 LEU A2037 -8.477 9.810 3.728 1.00 42.15 H new ATOM 0 HD13 LEU A2037 -8.505 9.664 5.502 1.00 42.15 H new ATOM 0 HD21 LEU A2037 -8.434 6.543 5.502 1.00 44.52 H new ATOM 0 HD22 LEU A2037 -9.562 7.462 6.527 1.00 44.52 H new ATOM 0 HD23 LEU A2037 -10.185 6.247 5.386 1.00 44.52 H new ATOM 415 N TYR A2038 -9.595 9.774 1.746 1.00 42.43 N ATOM 416 CA TYR A2038 -8.703 10.664 1.022 1.00 3.42 C ATOM 417 C TYR A2038 -9.488 11.575 0.074 1.00 5.25 C ATOM 418 O TYR A2038 -9.369 12.797 0.141 1.00 60.04 O ATOM 419 CB TYR A2038 -7.782 9.762 0.198 1.00 74.33 C ATOM 420 CG TYR A2038 -6.911 10.515 -0.808 1.00 41.53 C ATOM 421 CD1 TYR A2038 -5.704 11.054 -0.410 1.00 14.43 C ATOM 422 CD2 TYR A2038 -7.331 10.656 -2.116 1.00 33.01 C ATOM 423 CE1 TYR A2038 -4.883 11.763 -1.357 1.00 74.32 C ATOM 424 CE2 TYR A2038 -6.510 11.366 -3.063 1.00 11.32 C ATOM 425 CZ TYR A2038 -5.327 11.883 -2.638 1.00 54.41 C ATOM 426 OH TYR A2038 -4.552 12.553 -3.531 1.00 55.11 O ATOM 0 H TYR A2038 -9.361 8.784 1.673 1.00 42.43 H new ATOM 0 HA TYR A2038 -8.153 11.301 1.714 1.00 3.42 H new ATOM 0 HB2 TYR A2038 -7.136 9.204 0.876 1.00 74.33 H new ATOM 0 HB3 TYR A2038 -8.389 9.032 -0.337 1.00 74.33 H new ATOM 0 HD1 TYR A2038 -5.375 10.944 0.613 1.00 14.43 H new ATOM 0 HD2 TYR A2038 -8.275 10.234 -2.429 1.00 33.01 H new ATOM 0 HE1 TYR A2038 -3.937 12.190 -1.058 1.00 74.32 H new ATOM 0 HE2 TYR A2038 -6.828 11.485 -4.088 1.00 11.32 H new ATOM 0 HH TYR A2038 -4.993 12.560 -4.406 1.00 55.11 H new ATOM 436 N PHE A2039 -10.271 10.942 -0.787 1.00 30.32 N ATOM 437 CA PHE A2039 -11.075 11.679 -1.749 1.00 20.04 C ATOM 438 C PHE A2039 -12.288 12.321 -1.070 1.00 41.04 C ATOM 439 O PHE A2039 -12.642 13.458 -1.374 1.00 64.41 O ATOM 440 CB PHE A2039 -11.562 10.671 -2.790 1.00 72.41 C ATOM 441 CG PHE A2039 -10.458 10.134 -3.703 1.00 54.13 C ATOM 442 CD1 PHE A2039 -9.800 10.979 -4.541 1.00 31.34 C ATOM 443 CD2 PHE A2039 -10.133 8.814 -3.675 1.00 32.42 C ATOM 444 CE1 PHE A2039 -8.775 10.481 -5.388 1.00 52.13 C ATOM 445 CE2 PHE A2039 -9.108 8.317 -4.523 1.00 23.34 C ATOM 446 CZ PHE A2039 -8.450 9.161 -5.361 1.00 12.14 C ATOM 0 H PHE A2039 -10.366 9.928 -0.839 1.00 30.32 H new ATOM 0 HA PHE A2039 -10.481 12.474 -2.200 1.00 20.04 H new ATOM 0 HB2 PHE A2039 -12.033 9.833 -2.276 1.00 72.41 H new ATOM 0 HB3 PHE A2039 -12.330 11.141 -3.404 1.00 72.41 H new ATOM 0 HD1 PHE A2039 -10.057 12.028 -4.562 1.00 31.34 H new ATOM 0 HD2 PHE A2039 -10.654 8.144 -3.008 1.00 32.42 H new ATOM 0 HE1 PHE A2039 -8.253 11.151 -6.055 1.00 52.13 H new ATOM 0 HE2 PHE A2039 -8.851 7.268 -4.502 1.00 23.34 H new ATOM 0 HZ PHE A2039 -7.670 8.783 -6.005 1.00 12.14 H new ATOM 456 N GLY A2040 -12.888 11.564 -0.164 1.00 11.40 N ATOM 457 CA GLY A2040 -14.053 12.047 0.559 1.00 22.44 C ATOM 458 C GLY A2040 -13.689 13.225 1.461 1.00 54.43 C ATOM 459 O GLY A2040 -14.541 14.050 1.786 1.00 62.34 O ATOM 0 H GLY A2040 -12.590 10.621 0.086 1.00 11.40 H new ATOM 0 HA2 GLY A2040 -14.824 12.351 -0.149 1.00 22.44 H new ATOM 0 HA3 GLY A2040 -14.472 11.240 1.160 1.00 22.44 H new ATOM 463 N GLU A2041 -12.419 13.269 1.841 1.00 74.04 N ATOM 464 CA GLU A2041 -11.932 14.335 2.700 1.00 30.22 C ATOM 465 C GLU A2041 -10.428 14.525 2.508 1.00 41.22 C ATOM 466 O GLU A2041 -9.688 13.552 2.367 1.00 40.14 O ATOM 467 CB GLU A2041 -12.267 14.054 4.167 1.00 51.33 C ATOM 468 CG GLU A2041 -12.016 15.291 5.033 1.00 1.25 C ATOM 469 CD GLU A2041 -13.169 16.289 4.912 1.00 32.10 C ATOM 470 OE1 GLU A2041 -13.940 16.232 3.942 1.00 44.53 O ATOM 471 OE2 GLU A2041 -13.251 17.145 5.873 1.00 32.25 O ATOM 0 H GLU A2041 -11.714 12.584 1.570 1.00 74.04 H new ATOM 0 HA GLU A2041 -12.434 15.260 2.418 1.00 30.22 H new ATOM 0 HB2 GLU A2041 -13.310 13.750 4.254 1.00 51.33 H new ATOM 0 HB3 GLU A2041 -11.662 13.223 4.529 1.00 51.33 H new ATOM 0 HG2 GLU A2041 -11.897 14.992 6.074 1.00 1.25 H new ATOM 0 HG3 GLU A2041 -11.084 15.768 4.730 1.00 1.25 H new ATOM 479 N ARG A2042 -10.017 15.785 2.509 1.00 64.44 N ATOM 480 CA ARG A2042 -8.612 16.115 2.336 1.00 73.02 C ATOM 481 C ARG A2042 -7.825 15.768 3.600 1.00 4.32 C ATOM 482 O ARG A2042 -7.178 16.631 4.190 1.00 1.43 O ATOM 483 CB ARG A2042 -8.429 17.603 2.023 1.00 25.25 C ATOM 484 CG ARG A2042 -9.261 18.013 0.806 1.00 14.42 C ATOM 485 CD ARG A2042 -8.653 17.459 -0.484 1.00 61.30 C ATOM 486 NE ARG A2042 -9.153 18.224 -1.650 1.00 12.02 N ATOM 487 CZ ARG A2042 -8.584 18.196 -2.874 1.00 33.45 C ATOM 488 NH1 ARG A2042 -7.491 17.440 -3.104 1.00 74.34 N ATOM 489 NH2 ARG A2042 -9.116 18.920 -3.841 1.00 72.53 N ATOM 0 H ARG A2042 -10.633 16.590 2.627 1.00 64.44 H new ATOM 0 HA ARG A2042 -8.236 15.529 1.497 1.00 73.02 H new ATOM 0 HB2 ARG A2042 -8.723 18.199 2.887 1.00 25.25 H new ATOM 0 HB3 ARG A2042 -7.376 17.812 1.835 1.00 25.25 H new ATOM 0 HG2 ARG A2042 -10.281 17.647 0.918 1.00 14.42 H new ATOM 0 HG3 ARG A2042 -9.317 19.100 0.749 1.00 14.42 H new ATOM 0 HD2 ARG A2042 -7.566 17.519 -0.438 1.00 61.30 H new ATOM 0 HD3 ARG A2042 -8.909 16.405 -0.593 1.00 61.30 H new ATOM 0 HE ARG A2042 -9.979 18.808 -1.520 1.00 12.02 H new ATOM 0 HH11 ARG A2042 -7.088 16.884 -2.350 1.00 74.34 H new ATOM 0 HH12 ARG A2042 -7.068 17.425 -4.032 1.00 74.34 H new ATOM 0 HH21 ARG A2042 -9.943 19.488 -3.657 1.00 72.53 H new ATOM 0 HH22 ARG A2042 -8.700 18.912 -4.772 1.00 72.53 H new ATOM 501 N ASN A2043 -7.907 14.499 3.979 1.00 3.34 N ATOM 502 CA ASN A2043 -7.211 14.026 5.162 1.00 51.43 C ATOM 503 C ASN A2043 -6.326 12.836 4.786 1.00 5.33 C ATOM 504 O ASN A2043 -6.622 11.699 5.147 1.00 72.34 O ATOM 505 CB ASN A2043 -8.199 13.560 6.233 1.00 0.33 C ATOM 506 CG ASN A2043 -9.043 14.728 6.748 1.00 21.34 C ATOM 507 OD1 ASN A2043 -8.748 15.890 6.515 1.00 24.41 O ATOM 508 ND2 ASN A2043 -10.104 14.357 7.456 1.00 33.52 N ATOM 0 H ASN A2043 -8.445 13.786 3.487 1.00 3.34 H new ATOM 0 HA ASN A2043 -6.615 14.850 5.555 1.00 51.43 H new ATOM 0 HB2 ASN A2043 -8.851 12.790 5.821 1.00 0.33 H new ATOM 0 HB3 ASN A2043 -7.655 13.107 7.062 1.00 0.33 H new ATOM 0 HD21 ASN A2043 -10.731 15.062 7.843 1.00 33.52 H new ATOM 0 HD22 ASN A2043 -10.292 13.367 7.613 1.00 33.52 H new ATOM 515 N VAL A2044 -5.254 13.140 4.067 1.00 52.12 N ATOM 516 CA VAL A2044 -4.324 12.111 3.639 1.00 1.10 C ATOM 517 C VAL A2044 -3.852 11.317 4.858 1.00 22.13 C ATOM 518 O VAL A2044 -3.453 10.159 4.733 1.00 23.01 O ATOM 519 CB VAL A2044 -3.171 12.741 2.854 1.00 73.04 C ATOM 520 CG1 VAL A2044 -2.011 11.757 2.697 1.00 4.04 C ATOM 521 CG2 VAL A2044 -3.648 13.248 1.491 1.00 34.45 C ATOM 0 H VAL A2044 -5.010 14.085 3.771 1.00 52.12 H new ATOM 0 HA VAL A2044 -4.815 11.410 2.964 1.00 1.10 H new ATOM 0 HB VAL A2044 -2.808 13.597 3.422 1.00 73.04 H new ATOM 0 HG11 VAL A2044 -1.206 12.231 2.136 1.00 4.04 H new ATOM 0 HG12 VAL A2044 -1.645 11.466 3.682 1.00 4.04 H new ATOM 0 HG13 VAL A2044 -2.355 10.872 2.162 1.00 4.04 H new ATOM 0 HG21 VAL A2044 -2.809 13.691 0.954 1.00 34.45 H new ATOM 0 HG22 VAL A2044 -4.050 12.416 0.913 1.00 34.45 H new ATOM 0 HG23 VAL A2044 -4.425 13.999 1.634 1.00 34.45 H new ATOM 531 N LYS A2045 -3.914 11.968 6.010 1.00 44.33 N ATOM 532 CA LYS A2045 -3.498 11.337 7.250 1.00 2.40 C ATOM 533 C LYS A2045 -4.200 9.985 7.390 1.00 43.33 C ATOM 534 O LYS A2045 -3.579 8.996 7.774 1.00 43.04 O ATOM 535 CB LYS A2045 -3.730 12.278 8.435 1.00 5.13 C ATOM 536 CG LYS A2045 -5.218 12.595 8.597 1.00 43.13 C ATOM 537 CD LYS A2045 -5.879 11.635 9.587 1.00 72.44 C ATOM 538 CE LYS A2045 -5.826 12.193 11.010 1.00 12.32 C ATOM 539 NZ LYS A2045 -4.444 12.138 11.536 1.00 32.43 N ATOM 0 H LYS A2045 -4.246 12.927 6.110 1.00 44.33 H new ATOM 0 HA LYS A2045 -2.426 11.139 7.236 1.00 2.40 H new ATOM 0 HB2 LYS A2045 -3.350 11.820 9.348 1.00 5.13 H new ATOM 0 HB3 LYS A2045 -3.171 13.202 8.286 1.00 5.13 H new ATOM 0 HG2 LYS A2045 -5.339 13.621 8.944 1.00 43.13 H new ATOM 0 HG3 LYS A2045 -5.716 12.525 7.630 1.00 43.13 H new ATOM 0 HD2 LYS A2045 -6.916 11.465 9.297 1.00 72.44 H new ATOM 0 HD3 LYS A2045 -5.376 10.668 9.553 1.00 72.44 H new ATOM 0 HE2 LYS A2045 -6.184 13.223 11.017 1.00 12.32 H new ATOM 0 HE3 LYS A2045 -6.491 11.620 11.657 1.00 12.32 H new ATOM 0 HZ1 LYS A2045 -4.463 12.224 12.572 1.00 32.43 H new ATOM 0 HZ2 LYS A2045 -4.008 11.232 11.272 1.00 32.43 H new ATOM 0 HZ3 LYS A2045 -3.888 12.920 11.134 1.00 32.43 H new ATOM 552 N GLY A2046 -5.486 9.989 7.071 1.00 25.42 N ATOM 553 CA GLY A2046 -6.280 8.774 7.157 1.00 42.34 C ATOM 554 C GLY A2046 -5.627 7.635 6.372 1.00 1.24 C ATOM 555 O GLY A2046 -5.387 6.557 6.916 1.00 34.42 O ATOM 0 H GLY A2046 -5.997 10.812 6.753 1.00 25.42 H new ATOM 0 HA2 GLY A2046 -6.393 8.483 8.201 1.00 42.34 H new ATOM 0 HA3 GLY A2046 -7.281 8.961 6.768 1.00 42.34 H new ATOM 559 N MET A2047 -5.354 7.912 5.105 1.00 51.11 N ATOM 560 CA MET A2047 -4.732 6.924 4.240 1.00 60.11 C ATOM 561 C MET A2047 -3.437 6.392 4.856 1.00 13.21 C ATOM 562 O MET A2047 -3.216 5.183 4.901 1.00 33.33 O ATOM 563 CB MET A2047 -4.427 7.555 2.879 1.00 35.15 C ATOM 564 CG MET A2047 -3.510 6.654 2.050 1.00 14.02 C ATOM 565 SD MET A2047 -1.803 6.997 2.442 1.00 20.33 S ATOM 566 CE MET A2047 -1.757 8.752 2.123 1.00 74.25 C ATOM 0 H MET A2047 -5.552 8.807 4.657 1.00 51.11 H new ATOM 0 HA MET A2047 -5.424 6.091 4.118 1.00 60.11 H new ATOM 0 HB2 MET A2047 -5.357 7.729 2.338 1.00 35.15 H new ATOM 0 HB3 MET A2047 -3.955 8.527 3.022 1.00 35.15 H new ATOM 0 HG2 MET A2047 -3.735 5.607 2.252 1.00 14.02 H new ATOM 0 HG3 MET A2047 -3.688 6.819 0.987 1.00 14.02 H new ATOM 0 HE1 MET A2047 -0.861 8.995 1.552 1.00 74.25 H new ATOM 0 HE2 MET A2047 -2.640 9.041 1.553 1.00 74.25 H new ATOM 0 HE3 MET A2047 -1.743 9.293 3.069 1.00 74.25 H new ATOM 576 N PHE A2048 -2.613 7.322 5.318 1.00 61.54 N ATOM 577 CA PHE A2048 -1.346 6.962 5.930 1.00 3.44 C ATOM 578 C PHE A2048 -1.564 6.146 7.205 1.00 75.22 C ATOM 579 O PHE A2048 -0.778 5.256 7.521 1.00 33.04 O ATOM 580 CB PHE A2048 -0.636 8.267 6.290 1.00 54.14 C ATOM 581 CG PHE A2048 0.000 8.981 5.095 1.00 74.13 C ATOM 582 CD1 PHE A2048 0.672 8.265 4.155 1.00 41.33 C ATOM 583 CD2 PHE A2048 -0.110 10.332 4.972 1.00 23.14 C ATOM 584 CE1 PHE A2048 1.261 8.927 3.045 1.00 3.34 C ATOM 585 CE2 PHE A2048 0.479 10.994 3.861 1.00 14.23 C ATOM 586 CZ PHE A2048 1.153 10.277 2.923 1.00 21.43 C ATOM 0 H PHE A2048 -2.799 8.324 5.280 1.00 61.54 H new ATOM 0 HA PHE A2048 -0.759 6.356 5.239 1.00 3.44 H new ATOM 0 HB2 PHE A2048 -1.352 8.939 6.763 1.00 54.14 H new ATOM 0 HB3 PHE A2048 0.138 8.056 7.028 1.00 54.14 H new ATOM 0 HD1 PHE A2048 0.758 7.193 4.252 1.00 41.33 H new ATOM 0 HD2 PHE A2048 -0.645 10.901 5.718 1.00 23.14 H new ATOM 0 HE1 PHE A2048 1.795 8.358 2.298 1.00 3.34 H new ATOM 0 HE2 PHE A2048 0.391 12.066 3.762 1.00 14.23 H new ATOM 0 HZ PHE A2048 1.603 10.780 2.080 1.00 21.43 H new ATOM 596 N GLU A2049 -2.638 6.480 7.906 1.00 51.01 N ATOM 597 CA GLU A2049 -2.972 5.791 9.141 1.00 24.12 C ATOM 598 C GLU A2049 -3.564 4.414 8.836 1.00 2.23 C ATOM 599 O GLU A2049 -3.643 3.558 9.717 1.00 64.34 O ATOM 600 CB GLU A2049 -3.931 6.624 9.995 1.00 44.53 C ATOM 601 CG GLU A2049 -3.373 8.029 10.231 1.00 12.02 C ATOM 602 CD GLU A2049 -2.846 8.175 11.659 1.00 10.21 C ATOM 603 OE1 GLU A2049 -3.416 7.592 12.594 1.00 60.25 O ATOM 604 OE2 GLU A2049 -1.805 8.926 11.781 1.00 1.40 O ATOM 0 H GLU A2049 -3.289 7.220 7.642 1.00 51.01 H new ATOM 0 HA GLU A2049 -2.056 5.653 9.715 1.00 24.12 H new ATOM 0 HB2 GLU A2049 -4.900 6.692 9.500 1.00 44.53 H new ATOM 0 HB3 GLU A2049 -4.096 6.129 10.952 1.00 44.53 H new ATOM 0 HG2 GLU A2049 -2.571 8.230 9.521 1.00 12.02 H new ATOM 0 HG3 GLU A2049 -4.152 8.769 10.049 1.00 12.02 H new ATOM 612 N VAL A2050 -3.966 4.242 7.584 1.00 3.12 N ATOM 613 CA VAL A2050 -4.548 2.982 7.153 1.00 35.20 C ATOM 614 C VAL A2050 -3.430 2.005 6.787 1.00 50.34 C ATOM 615 O VAL A2050 -3.492 0.826 7.135 1.00 71.03 O ATOM 616 CB VAL A2050 -5.528 3.227 6.004 1.00 35.31 C ATOM 617 CG1 VAL A2050 -5.077 2.498 4.736 1.00 65.14 C ATOM 618 CG2 VAL A2050 -6.948 2.816 6.395 1.00 14.23 C ATOM 0 H VAL A2050 -3.900 4.953 6.856 1.00 3.12 H new ATOM 0 HA VAL A2050 -5.121 2.529 7.962 1.00 35.20 H new ATOM 0 HB VAL A2050 -5.536 4.296 5.793 1.00 35.31 H new ATOM 0 HG11 VAL A2050 -5.790 2.688 3.934 1.00 65.14 H new ATOM 0 HG12 VAL A2050 -4.092 2.859 4.439 1.00 65.14 H new ATOM 0 HG13 VAL A2050 -5.027 1.427 4.931 1.00 65.14 H new ATOM 0 HG21 VAL A2050 -7.623 3.001 5.560 1.00 14.23 H new ATOM 0 HG22 VAL A2050 -6.964 1.755 6.646 1.00 14.23 H new ATOM 0 HG23 VAL A2050 -7.271 3.398 7.258 1.00 14.23 H new ATOM 628 N LEU A2051 -2.433 2.532 6.092 1.00 43.12 N ATOM 629 CA LEU A2051 -1.301 1.720 5.677 1.00 44.25 C ATOM 630 C LEU A2051 -0.371 1.499 6.871 1.00 63.12 C ATOM 631 O LEU A2051 0.062 0.377 7.125 1.00 4.14 O ATOM 632 CB LEU A2051 -0.607 2.350 4.465 1.00 20.44 C ATOM 633 CG LEU A2051 -1.455 2.478 3.199 1.00 73.43 C ATOM 634 CD1 LEU A2051 -2.623 1.489 3.219 1.00 42.21 C ATOM 635 CD2 LEU A2051 -1.929 3.919 2.999 1.00 42.23 C ATOM 0 H LEU A2051 -2.385 3.510 5.806 1.00 43.12 H new ATOM 0 HA LEU A2051 -1.637 0.736 5.349 1.00 44.25 H new ATOM 0 HB2 LEU A2051 -0.258 3.343 4.747 1.00 20.44 H new ATOM 0 HB3 LEU A2051 0.277 1.757 4.228 1.00 20.44 H new ATOM 0 HG LEU A2051 -0.830 2.223 2.343 1.00 73.43 H new ATOM 0 HD11 LEU A2051 -3.210 1.601 2.307 1.00 42.21 H new ATOM 0 HD12 LEU A2051 -2.237 0.471 3.280 1.00 42.21 H new ATOM 0 HD13 LEU A2051 -3.255 1.690 4.084 1.00 42.21 H new ATOM 0 HD21 LEU A2051 -2.530 3.982 2.092 1.00 42.23 H new ATOM 0 HD22 LEU A2051 -2.531 4.226 3.855 1.00 42.23 H new ATOM 0 HD23 LEU A2051 -1.065 4.577 2.908 1.00 42.23 H new ATOM 647 N GLU A2052 -0.089 2.588 7.571 1.00 71.53 N ATOM 648 CA GLU A2052 0.780 2.527 8.733 1.00 44.23 C ATOM 649 C GLU A2052 0.596 1.197 9.465 1.00 63.45 C ATOM 650 O GLU A2052 1.562 0.474 9.698 1.00 23.25 O ATOM 651 CB GLU A2052 0.529 3.711 9.670 1.00 14.53 C ATOM 652 CG GLU A2052 1.708 4.683 9.654 1.00 53.32 C ATOM 653 CD GLU A2052 1.867 5.330 8.275 1.00 0.45 C ATOM 654 OE1 GLU A2052 1.585 6.526 8.115 1.00 61.52 O ATOM 655 OE2 GLU A2052 2.304 4.542 7.353 1.00 24.54 O ATOM 0 H GLU A2052 -0.447 3.518 7.355 1.00 71.53 H new ATOM 0 HA GLU A2052 1.814 2.590 8.393 1.00 44.23 H new ATOM 0 HB2 GLU A2052 -0.380 4.232 9.368 1.00 14.53 H new ATOM 0 HB3 GLU A2052 0.366 3.348 10.685 1.00 14.53 H new ATOM 0 HG2 GLU A2052 1.557 5.456 10.407 1.00 53.32 H new ATOM 0 HG3 GLU A2052 2.623 4.154 9.919 1.00 53.32 H new ATOM 663 N PRO A2053 -0.685 0.908 9.817 1.00 21.41 N ATOM 664 CA PRO A2053 -1.009 -0.322 10.519 1.00 73.32 C ATOM 665 C PRO A2053 -0.964 -1.521 9.572 1.00 5.11 C ATOM 666 O PRO A2053 -0.301 -2.518 9.858 1.00 5.52 O ATOM 667 CB PRO A2053 -2.389 -0.085 11.110 1.00 71.43 C ATOM 668 CG PRO A2053 -2.981 1.081 10.335 1.00 32.34 C ATOM 669 CD PRO A2053 -1.855 1.743 9.557 1.00 51.02 C ATOM 0 HA PRO A2053 -0.290 -0.561 11.302 1.00 73.32 H new ATOM 0 HB2 PRO A2053 -3.012 -0.974 11.014 1.00 71.43 H new ATOM 0 HB3 PRO A2053 -2.324 0.146 12.173 1.00 71.43 H new ATOM 0 HG2 PRO A2053 -3.760 0.732 9.657 1.00 32.34 H new ATOM 0 HG3 PRO A2053 -3.446 1.795 11.015 1.00 32.34 H new ATOM 0 HD2 PRO A2053 -2.082 1.787 8.492 1.00 51.02 H new ATOM 0 HD3 PRO A2053 -1.692 2.768 9.890 1.00 51.02 H new ATOM 677 N LEU A2054 -1.676 -1.388 8.462 1.00 12.13 N ATOM 678 CA LEU A2054 -1.723 -2.448 7.470 1.00 20.24 C ATOM 679 C LEU A2054 -0.299 -2.904 7.148 1.00 51.43 C ATOM 680 O LEU A2054 0.023 -4.086 7.273 1.00 65.34 O ATOM 681 CB LEU A2054 -2.518 -1.999 6.243 1.00 60.00 C ATOM 682 CG LEU A2054 -4.031 -2.215 6.308 1.00 65.02 C ATOM 683 CD1 LEU A2054 -4.491 -2.437 7.748 1.00 74.44 C ATOM 684 CD2 LEU A2054 -4.779 -1.061 5.637 1.00 3.02 C ATOM 0 H LEU A2054 -2.225 -0.561 8.228 1.00 12.13 H new ATOM 0 HA LEU A2054 -2.253 -3.315 7.864 1.00 20.24 H new ATOM 0 HB2 LEU A2054 -2.329 -0.938 6.081 1.00 60.00 H new ATOM 0 HB3 LEU A2054 -2.133 -2.528 5.371 1.00 60.00 H new ATOM 0 HG LEU A2054 -4.271 -3.120 5.751 1.00 65.02 H new ATOM 0 HD11 LEU A2054 -5.570 -2.588 7.766 1.00 74.44 H new ATOM 0 HD12 LEU A2054 -3.995 -3.317 8.157 1.00 74.44 H new ATOM 0 HD13 LEU A2054 -4.237 -1.565 8.350 1.00 74.44 H new ATOM 0 HD21 LEU A2054 -5.853 -1.239 5.697 1.00 3.02 H new ATOM 0 HD22 LEU A2054 -4.537 -0.127 6.144 1.00 3.02 H new ATOM 0 HD23 LEU A2054 -4.481 -0.993 4.591 1.00 3.02 H new ATOM 696 N HIS A2055 0.517 -1.944 6.740 1.00 43.33 N ATOM 697 CA HIS A2055 1.900 -2.232 6.397 1.00 52.44 C ATOM 698 C HIS A2055 2.602 -2.870 7.598 1.00 41.11 C ATOM 699 O HIS A2055 3.200 -3.939 7.476 1.00 43.13 O ATOM 700 CB HIS A2055 2.610 -0.973 5.897 1.00 43.21 C ATOM 701 CG HIS A2055 2.131 -0.492 4.548 1.00 3.21 C ATOM 702 ND1 HIS A2055 2.673 0.608 3.908 1.00 30.13 N ATOM 703 CD2 HIS A2055 1.157 -0.977 3.724 1.00 4.13 C ATOM 704 CE1 HIS A2055 2.047 0.770 2.752 1.00 33.23 C ATOM 705 NE2 HIS A2055 1.107 -0.213 2.641 1.00 63.33 N ATOM 0 H HIS A2055 0.248 -0.965 6.639 1.00 43.33 H new ATOM 0 HA HIS A2055 1.934 -2.948 5.576 1.00 52.44 H new ATOM 0 HB2 HIS A2055 2.470 -0.175 6.626 1.00 43.21 H new ATOM 0 HB3 HIS A2055 3.681 -1.170 5.842 1.00 43.21 H new ATOM 0 HD2 HIS A2055 0.533 -1.837 3.920 1.00 4.13 H new ATOM 0 HE1 HIS A2055 2.246 1.544 2.025 1.00 33.23 H new ATOM 0 HE2 HIS A2055 0.470 -0.339 1.854 1.00 63.33 H new ATOM 714 N ALA A2056 2.508 -2.190 8.730 1.00 34.32 N ATOM 715 CA ALA A2056 3.127 -2.677 9.951 1.00 74.04 C ATOM 716 C ALA A2056 2.686 -4.121 10.199 1.00 73.35 C ATOM 717 O ALA A2056 3.519 -4.997 10.431 1.00 33.41 O ATOM 718 CB ALA A2056 2.765 -1.749 11.113 1.00 64.51 C ATOM 0 H ALA A2056 2.012 -1.304 8.828 1.00 34.32 H new ATOM 0 HA ALA A2056 4.213 -2.674 9.859 1.00 74.04 H new ATOM 0 HB1 ALA A2056 3.229 -2.115 12.029 1.00 64.51 H new ATOM 0 HB2 ALA A2056 3.125 -0.742 10.900 1.00 64.51 H new ATOM 0 HB3 ALA A2056 1.682 -1.728 11.238 1.00 64.51 H new ATOM 724 N MET A2057 1.378 -4.325 10.142 1.00 41.53 N ATOM 725 CA MET A2057 0.818 -5.648 10.358 1.00 25.13 C ATOM 726 C MET A2057 1.513 -6.689 9.479 1.00 21.52 C ATOM 727 O MET A2057 1.712 -7.828 9.897 1.00 22.13 O ATOM 728 CB MET A2057 -0.679 -5.627 10.039 1.00 31.14 C ATOM 729 CG MET A2057 -1.023 -6.655 8.961 1.00 31.40 C ATOM 730 SD MET A2057 -2.791 -6.716 8.718 1.00 73.24 S ATOM 731 CE MET A2057 -2.852 -7.032 6.963 1.00 62.54 C ATOM 0 H MET A2057 0.690 -3.597 9.949 1.00 41.53 H new ATOM 0 HA MET A2057 0.973 -5.921 11.402 1.00 25.13 H new ATOM 0 HB2 MET A2057 -1.250 -5.838 10.943 1.00 31.14 H new ATOM 0 HB3 MET A2057 -0.969 -4.631 9.703 1.00 31.14 H new ATOM 0 HG2 MET A2057 -0.528 -6.393 8.026 1.00 31.40 H new ATOM 0 HG3 MET A2057 -0.654 -7.638 9.253 1.00 31.40 H new ATOM 0 HE1 MET A2057 -3.887 -7.188 6.657 1.00 62.54 H new ATOM 0 HE2 MET A2057 -2.439 -6.178 6.425 1.00 62.54 H new ATOM 0 HE3 MET A2057 -2.267 -7.923 6.733 1.00 62.54 H new ATOM 741 N MET A2058 1.862 -6.260 8.275 1.00 4.02 N ATOM 742 CA MET A2058 2.531 -7.141 7.332 1.00 53.00 C ATOM 743 C MET A2058 3.967 -7.426 7.773 1.00 44.31 C ATOM 744 O MET A2058 4.485 -8.520 7.548 1.00 63.14 O ATOM 745 CB MET A2058 2.541 -6.492 5.947 1.00 45.11 C ATOM 746 CG MET A2058 1.118 -6.185 5.476 1.00 10.20 C ATOM 747 SD MET A2058 0.707 -7.202 4.068 1.00 4.32 S ATOM 748 CE MET A2058 -1.013 -7.528 4.414 1.00 70.11 C ATOM 0 H MET A2058 1.694 -5.315 7.931 1.00 4.02 H new ATOM 0 HA MET A2058 1.988 -8.085 7.297 1.00 53.00 H new ATOM 0 HB2 MET A2058 3.125 -5.572 5.977 1.00 45.11 H new ATOM 0 HB3 MET A2058 3.029 -7.156 5.234 1.00 45.11 H new ATOM 0 HG2 MET A2058 0.411 -6.368 6.285 1.00 10.20 H new ATOM 0 HG3 MET A2058 1.034 -5.131 5.211 1.00 10.20 H new ATOM 0 HE1 MET A2058 -1.561 -7.626 3.477 1.00 70.11 H new ATOM 0 HE2 MET A2058 -1.101 -8.453 4.983 1.00 70.11 H new ATOM 0 HE3 MET A2058 -1.430 -6.704 4.994 1.00 70.11 H new ATOM 758 N GLU A2059 4.573 -6.424 8.393 1.00 0.30 N ATOM 759 CA GLU A2059 5.941 -6.552 8.868 1.00 61.11 C ATOM 760 C GLU A2059 5.991 -7.461 10.097 1.00 4.24 C ATOM 761 O GLU A2059 6.608 -8.524 10.064 1.00 5.31 O ATOM 762 CB GLU A2059 6.547 -5.181 9.170 1.00 34.22 C ATOM 763 CG GLU A2059 6.120 -4.149 8.126 1.00 31.35 C ATOM 764 CD GLU A2059 6.041 -4.777 6.735 1.00 44.23 C ATOM 765 OE1 GLU A2059 6.898 -5.600 6.376 1.00 73.22 O ATOM 766 OE2 GLU A2059 5.046 -4.385 6.014 1.00 43.44 O ATOM 0 H GLU A2059 4.141 -5.519 8.578 1.00 0.30 H new ATOM 0 HA GLU A2059 6.540 -7.008 8.080 1.00 61.11 H new ATOM 0 HB2 GLU A2059 6.234 -4.852 10.161 1.00 34.22 H new ATOM 0 HB3 GLU A2059 7.634 -5.256 9.188 1.00 34.22 H new ATOM 0 HG2 GLU A2059 5.150 -3.733 8.397 1.00 31.35 H new ATOM 0 HG3 GLU A2059 6.830 -3.322 8.116 1.00 31.35 H new ATOM 774 N ARG A2060 5.336 -7.008 11.156 1.00 52.45 N ATOM 775 CA ARG A2060 5.300 -7.766 12.394 1.00 13.11 C ATOM 776 C ARG A2060 4.395 -8.989 12.241 1.00 13.21 C ATOM 777 O ARG A2060 4.552 -9.976 12.958 1.00 54.00 O ATOM 778 CB ARG A2060 4.791 -6.905 13.554 1.00 70.44 C ATOM 779 CG ARG A2060 3.350 -6.453 13.308 1.00 75.22 C ATOM 780 CD ARG A2060 2.925 -5.395 14.329 1.00 2.01 C ATOM 781 NE ARG A2060 2.408 -6.051 15.551 1.00 43.11 N ATOM 782 CZ ARG A2060 1.296 -6.817 15.585 1.00 13.23 C ATOM 783 NH1 ARG A2060 0.574 -7.030 14.465 1.00 44.40 N ATOM 784 NH2 ARG A2060 0.926 -7.354 16.733 1.00 34.35 N ATOM 0 H ARG A2060 4.826 -6.125 11.182 1.00 52.45 H new ATOM 0 HA ARG A2060 6.318 -8.088 12.615 1.00 13.11 H new ATOM 0 HB2 ARG A2060 4.845 -7.472 14.484 1.00 70.44 H new ATOM 0 HB3 ARG A2060 5.434 -6.033 13.674 1.00 70.44 H new ATOM 0 HG2 ARG A2060 3.259 -6.048 12.300 1.00 75.22 H new ATOM 0 HG3 ARG A2060 2.681 -7.311 13.368 1.00 75.22 H new ATOM 0 HD2 ARG A2060 3.773 -4.758 14.579 1.00 2.01 H new ATOM 0 HD3 ARG A2060 2.158 -4.751 13.900 1.00 2.01 H new ATOM 0 HE ARG A2060 2.923 -5.916 16.421 1.00 43.11 H new ATOM 0 HH11 ARG A2060 0.867 -6.611 13.582 1.00 44.40 H new ATOM 0 HH12 ARG A2060 -0.264 -7.610 14.501 1.00 44.40 H new ATOM 0 HH21 ARG A2060 1.477 -7.188 17.575 1.00 34.35 H new ATOM 0 HH22 ARG A2060 0.089 -7.935 16.778 1.00 34.35 H new ATOM 796 N GLY A2061 3.466 -8.884 11.303 1.00 41.22 N ATOM 797 CA GLY A2061 2.534 -9.970 11.047 1.00 64.42 C ATOM 798 C GLY A2061 2.741 -10.549 9.646 1.00 10.24 C ATOM 799 O GLY A2061 2.088 -10.128 8.693 1.00 40.22 O ATOM 0 H GLY A2061 3.338 -8.064 10.710 1.00 41.22 H new ATOM 0 HA2 GLY A2061 2.669 -10.754 11.792 1.00 64.42 H new ATOM 0 HA3 GLY A2061 1.511 -9.608 11.148 1.00 64.42 H new ATOM 803 N PRO A2062 3.676 -11.534 9.563 1.00 23.23 N ATOM 804 CA PRO A2062 3.977 -12.177 8.295 1.00 54.22 C ATOM 805 C PRO A2062 2.865 -13.150 7.897 1.00 2.34 C ATOM 806 O PRO A2062 1.756 -13.082 8.425 1.00 31.13 O ATOM 807 CB PRO A2062 5.319 -12.858 8.508 1.00 62.01 C ATOM 808 CG PRO A2062 5.497 -12.965 10.014 1.00 22.22 C ATOM 809 CD PRO A2062 4.468 -12.058 10.671 1.00 11.50 C ATOM 0 HA PRO A2062 4.033 -11.471 7.467 1.00 54.22 H new ATOM 0 HB2 PRO A2062 5.336 -13.843 8.042 1.00 62.01 H new ATOM 0 HB3 PRO A2062 6.126 -12.279 8.059 1.00 62.01 H new ATOM 0 HG2 PRO A2062 5.362 -13.996 10.342 1.00 22.22 H new ATOM 0 HG3 PRO A2062 6.506 -12.669 10.301 1.00 22.22 H new ATOM 0 HD2 PRO A2062 3.846 -12.610 11.376 1.00 11.50 H new ATOM 0 HD3 PRO A2062 4.948 -11.254 11.230 1.00 11.50 H new ATOM 817 N GLN A2063 3.203 -14.035 6.969 1.00 14.21 N ATOM 818 CA GLN A2063 2.248 -15.021 6.495 1.00 5.42 C ATOM 819 C GLN A2063 2.932 -16.380 6.321 1.00 31.25 C ATOM 820 O GLN A2063 2.676 -17.309 7.085 1.00 34.53 O ATOM 821 CB GLN A2063 1.593 -14.567 5.191 1.00 60.34 C ATOM 822 CG GLN A2063 0.075 -14.454 5.350 1.00 61.03 C ATOM 823 CD GLN A2063 -0.632 -15.677 4.765 1.00 5.34 C ATOM 824 OE1 GLN A2063 -0.128 -16.789 4.792 1.00 60.44 O ATOM 825 NE2 GLN A2063 -1.821 -15.413 4.233 1.00 75.33 N ATOM 0 H GLN A2063 4.124 -14.089 6.534 1.00 14.21 H new ATOM 0 HA GLN A2063 1.460 -15.124 7.241 1.00 5.42 H new ATOM 0 HB2 GLN A2063 2.003 -13.603 4.890 1.00 60.34 H new ATOM 0 HB3 GLN A2063 1.827 -15.275 4.396 1.00 60.34 H new ATOM 0 HG2 GLN A2063 -0.177 -14.355 6.406 1.00 61.03 H new ATOM 0 HG3 GLN A2063 -0.280 -13.552 4.852 1.00 61.03 H new ATOM 0 HE21 GLN A2063 -2.184 -14.460 4.244 1.00 75.33 H new ATOM 0 HE22 GLN A2063 -2.370 -16.163 3.814 1.00 75.33 H new ATOM 834 N THR A2064 3.787 -16.452 5.313 1.00 33.32 N ATOM 835 CA THR A2064 4.509 -17.680 5.028 1.00 32.14 C ATOM 836 C THR A2064 5.592 -17.433 3.977 1.00 14.31 C ATOM 837 O THR A2064 5.686 -16.337 3.424 1.00 24.42 O ATOM 838 CB THR A2064 3.489 -18.742 4.611 1.00 53.44 C ATOM 839 OG1 THR A2064 4.288 -19.844 4.189 1.00 62.10 O ATOM 840 CG2 THR A2064 2.711 -18.343 3.355 1.00 3.15 C ATOM 0 H THR A2064 3.997 -15.679 4.682 1.00 33.32 H new ATOM 0 HA THR A2064 5.036 -18.042 5.911 1.00 32.14 H new ATOM 0 HB THR A2064 2.792 -18.918 5.430 1.00 53.44 H new ATOM 0 HG1 THR A2064 3.706 -20.579 3.903 1.00 62.10 H new ATOM 0 HG21 THR A2064 2.001 -19.130 3.102 1.00 3.15 H new ATOM 0 HG22 THR A2064 2.172 -17.414 3.541 1.00 3.15 H new ATOM 0 HG23 THR A2064 3.405 -18.200 2.527 1.00 3.15 H new ATOM 848 N LEU A2065 6.384 -18.467 3.735 1.00 51.24 N ATOM 849 CA LEU A2065 7.458 -18.374 2.761 1.00 72.50 C ATOM 850 C LEU A2065 6.881 -17.940 1.411 1.00 12.24 C ATOM 851 O LEU A2065 7.566 -17.301 0.614 1.00 32.44 O ATOM 852 CB LEU A2065 8.242 -19.686 2.702 1.00 64.23 C ATOM 853 CG LEU A2065 9.757 -19.556 2.531 1.00 15.13 C ATOM 854 CD1 LEU A2065 10.100 -18.579 1.405 1.00 14.11 C ATOM 855 CD2 LEU A2065 10.426 -19.169 3.852 1.00 73.12 C ATOM 0 H LEU A2065 6.304 -19.373 4.196 1.00 51.24 H new ATOM 0 HA LEU A2065 8.178 -17.612 3.059 1.00 72.50 H new ATOM 0 HB2 LEU A2065 8.046 -20.244 3.617 1.00 64.23 H new ATOM 0 HB3 LEU A2065 7.853 -20.282 1.876 1.00 64.23 H new ATOM 0 HG LEU A2065 10.154 -20.529 2.243 1.00 15.13 H new ATOM 0 HD11 LEU A2065 11.183 -18.505 1.305 1.00 14.11 H new ATOM 0 HD12 LEU A2065 9.672 -18.938 0.469 1.00 14.11 H new ATOM 0 HD13 LEU A2065 9.689 -17.597 1.638 1.00 14.11 H new ATOM 0 HD21 LEU A2065 11.502 -19.083 3.703 1.00 73.12 H new ATOM 0 HD22 LEU A2065 10.030 -18.213 4.194 1.00 73.12 H new ATOM 0 HD23 LEU A2065 10.223 -19.935 4.601 1.00 73.12 H new ATOM 867 N LYS A2066 5.625 -18.306 1.195 1.00 33.03 N ATOM 868 CA LYS A2066 4.947 -17.964 -0.043 1.00 12.41 C ATOM 869 C LYS A2066 4.692 -16.456 -0.079 1.00 1.21 C ATOM 870 O LYS A2066 4.741 -15.838 -1.141 1.00 5.43 O ATOM 871 CB LYS A2066 3.682 -18.806 -0.212 1.00 32.24 C ATOM 872 CG LYS A2066 3.031 -18.550 -1.574 1.00 13.12 C ATOM 873 CD LYS A2066 1.985 -19.620 -1.891 1.00 20.12 C ATOM 874 CE LYS A2066 2.556 -20.685 -2.829 1.00 51.23 C ATOM 875 NZ LYS A2066 2.090 -22.032 -2.431 1.00 54.05 N ATOM 0 H LYS A2066 5.060 -18.836 1.858 1.00 33.03 H new ATOM 0 HA LYS A2066 5.576 -18.202 -0.901 1.00 12.41 H new ATOM 0 HB2 LYS A2066 3.929 -19.863 -0.116 1.00 32.24 H new ATOM 0 HB3 LYS A2066 2.975 -18.570 0.583 1.00 32.24 H new ATOM 0 HG2 LYS A2066 2.562 -17.566 -1.578 1.00 13.12 H new ATOM 0 HG3 LYS A2066 3.796 -18.542 -2.351 1.00 13.12 H new ATOM 0 HD2 LYS A2066 1.647 -20.088 -0.967 1.00 20.12 H new ATOM 0 HD3 LYS A2066 1.113 -19.156 -2.351 1.00 20.12 H new ATOM 0 HE2 LYS A2066 2.250 -20.476 -3.854 1.00 51.23 H new ATOM 0 HE3 LYS A2066 3.645 -20.650 -2.808 1.00 51.23 H new ATOM 0 HZ1 LYS A2066 2.487 -22.742 -3.079 1.00 54.05 H new ATOM 0 HZ2 LYS A2066 2.403 -22.235 -1.460 1.00 54.05 H new ATOM 0 HZ3 LYS A2066 1.051 -22.067 -2.474 1.00 54.05 H new ATOM 888 N GLU A2067 4.423 -15.905 1.096 1.00 32.03 N ATOM 889 CA GLU A2067 4.160 -14.480 1.214 1.00 63.13 C ATOM 890 C GLU A2067 5.473 -13.707 1.344 1.00 52.13 C ATOM 891 O GLU A2067 5.510 -12.498 1.116 1.00 21.15 O ATOM 892 CB GLU A2067 3.231 -14.190 2.395 1.00 45.40 C ATOM 893 CG GLU A2067 2.346 -12.975 2.109 1.00 21.03 C ATOM 894 CD GLU A2067 1.218 -13.336 1.139 1.00 31.13 C ATOM 895 OE1 GLU A2067 0.661 -14.441 1.220 1.00 54.20 O ATOM 896 OE2 GLU A2067 0.921 -12.419 0.281 1.00 0.43 O ATOM 0 H GLU A2067 4.381 -16.420 1.975 1.00 32.03 H new ATOM 0 HA GLU A2067 3.655 -14.147 0.308 1.00 63.13 H new ATOM 0 HB2 GLU A2067 2.606 -15.061 2.594 1.00 45.40 H new ATOM 0 HB3 GLU A2067 3.823 -14.011 3.293 1.00 45.40 H new ATOM 0 HG2 GLU A2067 1.923 -12.601 3.041 1.00 21.03 H new ATOM 0 HG3 GLU A2067 2.950 -12.171 1.688 1.00 21.03 H new ATOM 904 N THR A2068 6.519 -14.434 1.709 1.00 35.44 N ATOM 905 CA THR A2068 7.830 -13.831 1.874 1.00 50.13 C ATOM 906 C THR A2068 8.237 -13.087 0.601 1.00 62.34 C ATOM 907 O THR A2068 8.922 -12.068 0.665 1.00 61.03 O ATOM 908 CB THR A2068 8.812 -14.934 2.273 1.00 1.31 C ATOM 909 OG1 THR A2068 8.391 -15.316 3.581 1.00 4.32 O ATOM 910 CG2 THR A2068 10.233 -14.408 2.477 1.00 11.31 C ATOM 0 H THR A2068 6.485 -15.436 1.895 1.00 35.44 H new ATOM 0 HA THR A2068 7.824 -13.081 2.665 1.00 50.13 H new ATOM 0 HB THR A2068 8.819 -15.708 1.506 1.00 1.31 H new ATOM 0 HG1 THR A2068 7.493 -15.706 3.535 1.00 4.32 H new ATOM 0 HG21 THR A2068 10.889 -15.232 2.759 1.00 11.31 H new ATOM 0 HG22 THR A2068 10.591 -13.959 1.551 1.00 11.31 H new ATOM 0 HG23 THR A2068 10.233 -13.657 3.267 1.00 11.31 H new ATOM 918 N SER A2069 7.800 -13.627 -0.528 1.00 2.31 N ATOM 919 CA SER A2069 8.111 -13.027 -1.814 1.00 71.43 C ATOM 920 C SER A2069 7.261 -11.771 -2.025 1.00 24.12 C ATOM 921 O SER A2069 7.727 -10.792 -2.608 1.00 23.05 O ATOM 922 CB SER A2069 7.881 -14.019 -2.954 1.00 62.24 C ATOM 923 OG SER A2069 9.103 -14.567 -3.441 1.00 41.32 O ATOM 0 H SER A2069 7.233 -14.473 -0.578 1.00 2.31 H new ATOM 0 HA SER A2069 9.165 -12.750 -1.816 1.00 71.43 H new ATOM 0 HB2 SER A2069 7.235 -14.826 -2.608 1.00 62.24 H new ATOM 0 HB3 SER A2069 7.358 -13.519 -3.769 1.00 62.24 H new ATOM 0 HG SER A2069 8.913 -15.197 -4.167 1.00 41.32 H new ATOM 929 N PHE A2070 6.031 -11.839 -1.539 1.00 22.05 N ATOM 930 CA PHE A2070 5.113 -10.720 -1.666 1.00 0.40 C ATOM 931 C PHE A2070 5.626 -9.500 -0.899 1.00 42.15 C ATOM 932 O PHE A2070 5.735 -8.410 -1.460 1.00 34.20 O ATOM 933 CB PHE A2070 3.779 -11.164 -1.061 1.00 43.33 C ATOM 934 CG PHE A2070 2.710 -10.071 -1.045 1.00 53.32 C ATOM 935 CD1 PHE A2070 2.757 -9.087 -0.106 1.00 44.25 C ATOM 936 CD2 PHE A2070 1.712 -10.082 -1.969 1.00 74.52 C ATOM 937 CE1 PHE A2070 1.762 -8.072 -0.090 1.00 64.41 C ATOM 938 CE2 PHE A2070 0.718 -9.067 -1.953 1.00 33.01 C ATOM 939 CZ PHE A2070 0.765 -8.084 -1.014 1.00 63.43 C ATOM 0 H PHE A2070 5.648 -12.652 -1.056 1.00 22.05 H new ATOM 0 HA PHE A2070 5.011 -10.440 -2.715 1.00 0.40 H new ATOM 0 HB2 PHE A2070 3.403 -12.018 -1.624 1.00 43.33 H new ATOM 0 HB3 PHE A2070 3.950 -11.506 -0.040 1.00 43.33 H new ATOM 0 HD1 PHE A2070 3.550 -9.077 0.627 1.00 44.25 H new ATOM 0 HD2 PHE A2070 1.675 -10.862 -2.715 1.00 74.52 H new ATOM 0 HE1 PHE A2070 1.798 -7.292 0.656 1.00 64.41 H new ATOM 0 HE2 PHE A2070 -0.075 -9.076 -2.686 1.00 33.01 H new ATOM 0 HZ PHE A2070 0.010 -7.312 -1.003 1.00 63.43 H new ATOM 949 N ASN A2071 5.928 -9.723 0.371 1.00 4.23 N ATOM 950 CA ASN A2071 6.428 -8.656 1.220 1.00 14.23 C ATOM 951 C ASN A2071 7.783 -8.181 0.694 1.00 5.02 C ATOM 952 O ASN A2071 8.150 -7.021 0.870 1.00 1.13 O ATOM 953 CB ASN A2071 6.625 -9.142 2.658 1.00 33.12 C ATOM 954 CG ASN A2071 6.373 -8.012 3.660 1.00 3.01 C ATOM 955 OD1 ASN A2071 7.215 -7.671 4.474 1.00 52.25 O ATOM 956 ND2 ASN A2071 5.171 -7.454 3.554 1.00 63.13 N ATOM 0 H ASN A2071 5.836 -10.628 0.833 1.00 4.23 H new ATOM 0 HA ASN A2071 5.697 -7.848 1.208 1.00 14.23 H new ATOM 0 HB2 ASN A2071 5.947 -9.971 2.861 1.00 33.12 H new ATOM 0 HB3 ASN A2071 7.639 -9.522 2.781 1.00 33.12 H new ATOM 0 HD21 ASN A2071 4.906 -6.691 4.177 1.00 63.13 H new ATOM 0 HD22 ASN A2071 4.514 -7.789 2.849 1.00 63.13 H new ATOM 963 N GLN A2072 8.490 -9.102 0.055 1.00 73.40 N ATOM 964 CA GLN A2072 9.796 -8.792 -0.500 1.00 41.10 C ATOM 965 C GLN A2072 9.646 -8.010 -1.805 1.00 41.31 C ATOM 966 O GLN A2072 10.210 -6.926 -1.953 1.00 50.30 O ATOM 967 CB GLN A2072 10.617 -10.066 -0.715 1.00 73.41 C ATOM 968 CG GLN A2072 11.258 -10.533 0.594 1.00 41.20 C ATOM 969 CD GLN A2072 12.715 -10.076 0.683 1.00 34.24 C ATOM 970 OE1 GLN A2072 13.046 -9.085 1.314 1.00 43.02 O ATOM 971 NE2 GLN A2072 13.567 -10.851 0.017 1.00 32.45 N ATOM 0 H GLN A2072 8.182 -10.064 -0.091 1.00 73.40 H new ATOM 0 HA GLN A2072 10.334 -8.169 0.214 1.00 41.10 H new ATOM 0 HB2 GLN A2072 9.976 -10.853 -1.111 1.00 73.41 H new ATOM 0 HB3 GLN A2072 11.393 -9.882 -1.458 1.00 73.41 H new ATOM 0 HG2 GLN A2072 10.696 -10.137 1.440 1.00 41.20 H new ATOM 0 HG3 GLN A2072 11.209 -11.620 0.660 1.00 41.20 H new ATOM 0 HE21 GLN A2072 13.224 -11.666 -0.491 1.00 32.45 H new ATOM 0 HE22 GLN A2072 14.563 -10.630 0.015 1.00 32.45 H new ATOM 980 N ALA A2073 8.885 -8.590 -2.722 1.00 35.11 N ATOM 981 CA ALA A2073 8.652 -7.960 -4.010 1.00 42.45 C ATOM 982 C ALA A2073 8.405 -6.463 -3.806 1.00 11.30 C ATOM 983 O ALA A2073 9.060 -5.632 -4.431 1.00 74.24 O ATOM 984 CB ALA A2073 7.483 -8.653 -4.715 1.00 52.43 C ATOM 0 H ALA A2073 8.422 -9.490 -2.598 1.00 35.11 H new ATOM 0 HA ALA A2073 9.528 -8.065 -4.651 1.00 42.45 H new ATOM 0 HB1 ALA A2073 7.309 -8.180 -5.681 1.00 52.43 H new ATOM 0 HB2 ALA A2073 7.721 -9.706 -4.864 1.00 52.43 H new ATOM 0 HB3 ALA A2073 6.586 -8.567 -4.102 1.00 52.43 H new ATOM 990 N TYR A2074 7.458 -6.168 -2.926 1.00 54.24 N ATOM 991 CA TYR A2074 7.117 -4.786 -2.631 1.00 23.53 C ATOM 992 C TYR A2074 7.952 -4.252 -1.465 1.00 61.42 C ATOM 993 O TYR A2074 8.015 -3.044 -1.245 1.00 62.43 O ATOM 994 CB TYR A2074 5.641 -4.795 -2.222 1.00 73.31 C ATOM 995 CG TYR A2074 4.728 -5.527 -3.209 1.00 40.10 C ATOM 996 CD1 TYR A2074 4.844 -5.289 -4.563 1.00 11.24 C ATOM 997 CD2 TYR A2074 3.788 -6.423 -2.744 1.00 33.13 C ATOM 998 CE1 TYR A2074 3.984 -5.978 -5.490 1.00 52.24 C ATOM 999 CE2 TYR A2074 2.928 -7.111 -3.670 1.00 74.15 C ATOM 1000 CZ TYR A2074 3.069 -6.854 -4.998 1.00 24.43 C ATOM 1001 OH TYR A2074 2.256 -7.504 -5.874 1.00 22.22 O ATOM 0 H TYR A2074 6.917 -6.861 -2.409 1.00 54.24 H new ATOM 0 HA TYR A2074 7.309 -4.150 -3.495 1.00 23.53 H new ATOM 0 HB2 TYR A2074 5.549 -5.262 -1.242 1.00 73.31 H new ATOM 0 HB3 TYR A2074 5.297 -3.766 -2.118 1.00 73.31 H new ATOM 0 HD1 TYR A2074 5.579 -4.587 -4.927 1.00 11.24 H new ATOM 0 HD2 TYR A2074 3.697 -6.608 -1.684 1.00 33.13 H new ATOM 0 HE1 TYR A2074 4.064 -5.802 -6.553 1.00 52.24 H new ATOM 0 HE2 TYR A2074 2.188 -7.815 -3.319 1.00 74.15 H new ATOM 0 HH TYR A2074 1.653 -8.099 -5.381 1.00 22.22 H new ATOM 1011 N GLY A2075 8.574 -5.178 -0.752 1.00 13.54 N ATOM 1012 CA GLY A2075 9.402 -4.816 0.385 1.00 42.55 C ATOM 1013 C GLY A2075 10.209 -3.547 0.093 1.00 35.33 C ATOM 1014 O GLY A2075 10.294 -2.656 0.937 1.00 43.12 O ATOM 0 H GLY A2075 8.521 -6.179 -0.940 1.00 13.54 H new ATOM 0 HA2 GLY A2075 8.774 -4.658 1.262 1.00 42.55 H new ATOM 0 HA3 GLY A2075 10.080 -5.636 0.622 1.00 42.55 H new ATOM 1018 N ARG A2076 10.778 -3.508 -1.102 1.00 52.23 N ATOM 1019 CA ARG A2076 11.572 -2.364 -1.515 1.00 22.34 C ATOM 1020 C ARG A2076 10.661 -1.218 -1.964 1.00 31.30 C ATOM 1021 O ARG A2076 10.832 -0.080 -1.532 1.00 4.41 O ATOM 1022 CB ARG A2076 12.516 -2.734 -2.661 1.00 3.24 C ATOM 1023 CG ARG A2076 13.959 -2.344 -2.331 1.00 13.44 C ATOM 1024 CD ARG A2076 14.013 -0.985 -1.630 1.00 31.21 C ATOM 1025 NE ARG A2076 15.268 -0.284 -1.980 1.00 42.12 N ATOM 1026 CZ ARG A2076 15.528 0.239 -3.196 1.00 23.44 C ATOM 1027 NH1 ARG A2076 14.620 0.146 -4.191 1.00 25.12 N ATOM 1028 NH2 ARG A2076 16.683 0.844 -3.400 1.00 44.42 N ATOM 0 H ARG A2076 10.705 -4.250 -1.798 1.00 52.23 H new ATOM 0 HA ARG A2076 12.165 -2.046 -0.658 1.00 22.34 H new ATOM 0 HB2 ARG A2076 12.460 -3.806 -2.852 1.00 3.24 H new ATOM 0 HB3 ARG A2076 12.199 -2.231 -3.575 1.00 3.24 H new ATOM 0 HG2 ARG A2076 14.408 -3.105 -1.692 1.00 13.44 H new ATOM 0 HG3 ARG A2076 14.548 -2.308 -3.247 1.00 13.44 H new ATOM 0 HD2 ARG A2076 13.155 -0.381 -1.924 1.00 31.21 H new ATOM 0 HD3 ARG A2076 13.952 -1.121 -0.550 1.00 31.21 H new ATOM 0 HE ARG A2076 15.981 -0.190 -1.257 1.00 42.12 H new ATOM 0 HH11 ARG A2076 13.729 -0.323 -4.026 1.00 25.12 H new ATOM 0 HH12 ARG A2076 14.825 0.544 -5.107 1.00 25.12 H new ATOM 0 HH21 ARG A2076 17.364 0.911 -2.644 1.00 44.42 H new ATOM 0 HH22 ARG A2076 16.895 1.245 -4.314 1.00 44.42 H new ATOM 1040 N ASP A2077 9.713 -1.561 -2.824 1.00 40.20 N ATOM 1041 CA ASP A2077 8.776 -0.576 -3.335 1.00 33.40 C ATOM 1042 C ASP A2077 8.151 0.183 -2.164 1.00 31.02 C ATOM 1043 O ASP A2077 8.214 1.410 -2.108 1.00 4.32 O ATOM 1044 CB ASP A2077 7.646 -1.247 -4.121 1.00 43.43 C ATOM 1045 CG ASP A2077 8.093 -2.012 -5.369 1.00 32.44 C ATOM 1046 OD1 ASP A2077 9.266 -2.395 -5.497 1.00 21.14 O ATOM 1047 OD2 ASP A2077 7.167 -2.217 -6.242 1.00 21.41 O ATOM 0 H ASP A2077 9.574 -2.507 -3.179 1.00 40.20 H new ATOM 0 HA ASP A2077 9.322 0.099 -3.993 1.00 33.40 H new ATOM 0 HB2 ASP A2077 7.122 -1.936 -3.459 1.00 43.43 H new ATOM 0 HB3 ASP A2077 6.928 -0.483 -4.419 1.00 43.43 H new ATOM 1053 N LEU A2078 7.558 -0.580 -1.255 1.00 52.33 N ATOM 1054 CA LEU A2078 6.921 0.007 -0.086 1.00 62.32 C ATOM 1055 C LEU A2078 7.914 0.929 0.621 1.00 75.53 C ATOM 1056 O LEU A2078 7.535 1.987 1.125 1.00 44.01 O ATOM 1057 CB LEU A2078 6.346 -1.088 0.815 1.00 43.11 C ATOM 1058 CG LEU A2078 5.142 -1.851 0.260 1.00 14.35 C ATOM 1059 CD1 LEU A2078 4.410 -2.604 1.374 1.00 41.13 C ATOM 1060 CD2 LEU A2078 4.208 -0.913 -0.508 1.00 23.44 C ATOM 0 H LEU A2078 7.505 -1.597 -1.304 1.00 52.33 H new ATOM 0 HA LEU A2078 6.072 0.623 -0.382 1.00 62.32 H new ATOM 0 HB2 LEU A2078 7.137 -1.806 1.031 1.00 43.11 H new ATOM 0 HB3 LEU A2078 6.058 -0.636 1.764 1.00 43.11 H new ATOM 0 HG LEU A2078 5.504 -2.596 -0.448 1.00 14.35 H new ATOM 0 HD11 LEU A2078 3.558 -3.138 0.953 1.00 41.13 H new ATOM 0 HD12 LEU A2078 5.091 -3.316 1.840 1.00 41.13 H new ATOM 0 HD13 LEU A2078 4.059 -1.894 2.123 1.00 41.13 H new ATOM 0 HD21 LEU A2078 3.360 -1.479 -0.893 1.00 23.44 H new ATOM 0 HD22 LEU A2078 3.849 -0.130 0.160 1.00 23.44 H new ATOM 0 HD23 LEU A2078 4.749 -0.461 -1.339 1.00 23.44 H new ATOM 1072 N MET A2079 9.166 0.497 0.637 1.00 35.23 N ATOM 1073 CA MET A2079 10.217 1.270 1.277 1.00 73.15 C ATOM 1074 C MET A2079 10.355 2.649 0.626 1.00 41.04 C ATOM 1075 O MET A2079 10.438 3.660 1.318 1.00 54.24 O ATOM 1076 CB MET A2079 11.544 0.518 1.167 1.00 62.11 C ATOM 1077 CG MET A2079 12.171 0.310 2.546 1.00 15.51 C ATOM 1078 SD MET A2079 13.928 0.613 2.471 1.00 71.04 S ATOM 1079 CE MET A2079 13.929 2.388 2.275 1.00 42.21 C ATOM 0 H MET A2079 9.477 -0.379 0.217 1.00 35.23 H new ATOM 0 HA MET A2079 9.954 1.408 2.326 1.00 73.15 H new ATOM 0 HB2 MET A2079 11.380 -0.448 0.688 1.00 62.11 H new ATOM 0 HB3 MET A2079 12.231 1.077 0.531 1.00 62.11 H new ATOM 0 HG2 MET A2079 11.709 0.981 3.270 1.00 15.51 H new ATOM 0 HG3 MET A2079 11.984 -0.707 2.890 1.00 15.51 H new ATOM 0 HE1 MET A2079 14.870 2.794 2.645 1.00 42.21 H new ATOM 0 HE2 MET A2079 13.816 2.638 1.220 1.00 42.21 H new ATOM 0 HE3 MET A2079 13.102 2.817 2.840 1.00 42.21 H new ATOM 1089 N GLU A2080 10.377 2.642 -0.699 1.00 62.14 N ATOM 1090 CA GLU A2080 10.504 3.878 -1.453 1.00 53.34 C ATOM 1091 C GLU A2080 9.307 4.792 -1.179 1.00 11.31 C ATOM 1092 O GLU A2080 9.480 5.947 -0.791 1.00 53.24 O ATOM 1093 CB GLU A2080 10.648 3.598 -2.949 1.00 72.42 C ATOM 1094 CG GLU A2080 10.854 4.895 -3.732 1.00 13.21 C ATOM 1095 CD GLU A2080 11.468 4.614 -5.107 1.00 11.01 C ATOM 1096 OE1 GLU A2080 12.550 4.013 -5.190 1.00 44.35 O ATOM 1097 OE2 GLU A2080 10.780 5.042 -6.108 1.00 63.22 O ATOM 0 H GLU A2080 10.309 1.800 -1.270 1.00 62.14 H new ATOM 0 HA GLU A2080 11.410 4.388 -1.125 1.00 53.34 H new ATOM 0 HB2 GLU A2080 11.492 2.929 -3.118 1.00 72.42 H new ATOM 0 HB3 GLU A2080 9.758 3.086 -3.314 1.00 72.42 H new ATOM 0 HG2 GLU A2080 9.899 5.406 -3.854 1.00 13.21 H new ATOM 0 HG3 GLU A2080 11.504 5.564 -3.169 1.00 13.21 H new ATOM 1105 N ALA A2081 8.122 4.240 -1.390 1.00 64.10 N ATOM 1106 CA ALA A2081 6.898 4.991 -1.172 1.00 61.42 C ATOM 1107 C ALA A2081 6.901 5.565 0.247 1.00 50.40 C ATOM 1108 O ALA A2081 6.498 6.707 0.459 1.00 13.42 O ATOM 1109 CB ALA A2081 5.691 4.087 -1.430 1.00 54.03 C ATOM 0 H ALA A2081 7.983 3.281 -1.710 1.00 64.10 H new ATOM 0 HA ALA A2081 6.834 5.828 -1.867 1.00 61.42 H new ATOM 0 HB1 ALA A2081 4.773 4.651 -1.266 1.00 54.03 H new ATOM 0 HB2 ALA A2081 5.718 3.729 -2.459 1.00 54.03 H new ATOM 0 HB3 ALA A2081 5.721 3.237 -0.749 1.00 54.03 H new ATOM 1115 N GLN A2082 7.366 4.747 1.180 1.00 3.25 N ATOM 1116 CA GLN A2082 7.428 5.158 2.572 1.00 32.33 C ATOM 1117 C GLN A2082 8.333 6.383 2.723 1.00 42.10 C ATOM 1118 O GLN A2082 8.029 7.293 3.492 1.00 43.42 O ATOM 1119 CB GLN A2082 7.907 4.011 3.462 1.00 20.34 C ATOM 1120 CG GLN A2082 7.963 4.441 4.929 1.00 22.30 C ATOM 1121 CD GLN A2082 7.080 3.544 5.799 1.00 2.44 C ATOM 1122 OE1 GLN A2082 6.152 2.904 5.333 1.00 11.15 O ATOM 1123 NE2 GLN A2082 7.420 3.532 7.085 1.00 64.12 N ATOM 0 H GLN A2082 7.703 3.802 0.999 1.00 3.25 H new ATOM 0 HA GLN A2082 6.423 5.429 2.895 1.00 32.33 H new ATOM 0 HB2 GLN A2082 7.236 3.158 3.355 1.00 20.34 H new ATOM 0 HB3 GLN A2082 8.894 3.683 3.138 1.00 20.34 H new ATOM 0 HG2 GLN A2082 8.992 4.399 5.285 1.00 22.30 H new ATOM 0 HG3 GLN A2082 7.637 5.477 5.020 1.00 22.30 H new ATOM 0 HE21 GLN A2082 8.209 4.092 7.409 1.00 64.12 H new ATOM 0 HE22 GLN A2082 6.892 2.963 7.747 1.00 64.12 H new ATOM 1132 N GLU A2083 9.425 6.367 1.974 1.00 14.32 N ATOM 1133 CA GLU A2083 10.378 7.465 2.014 1.00 33.44 C ATOM 1134 C GLU A2083 9.732 8.746 1.481 1.00 71.25 C ATOM 1135 O GLU A2083 9.999 9.836 1.984 1.00 41.04 O ATOM 1136 CB GLU A2083 11.644 7.121 1.229 1.00 13.31 C ATOM 1137 CG GLU A2083 11.880 8.127 0.101 1.00 74.53 C ATOM 1138 CD GLU A2083 13.040 7.686 -0.794 1.00 31.31 C ATOM 1139 OE1 GLU A2083 14.151 7.452 -0.297 1.00 3.35 O ATOM 1140 OE2 GLU A2083 12.754 7.588 -2.048 1.00 42.34 O ATOM 0 H GLU A2083 9.672 5.611 1.335 1.00 14.32 H new ATOM 0 HA GLU A2083 10.669 7.632 3.051 1.00 33.44 H new ATOM 0 HB2 GLU A2083 12.502 7.115 1.901 1.00 13.31 H new ATOM 0 HB3 GLU A2083 11.557 6.117 0.813 1.00 13.31 H new ATOM 0 HG2 GLU A2083 10.974 8.228 -0.496 1.00 74.53 H new ATOM 0 HG3 GLU A2083 12.095 9.109 0.523 1.00 74.53 H new ATOM 1148 N TRP A2084 8.893 8.572 0.470 1.00 4.21 N ATOM 1149 CA TRP A2084 8.208 9.700 -0.137 1.00 45.53 C ATOM 1150 C TRP A2084 7.086 10.135 0.807 1.00 45.51 C ATOM 1151 O TRP A2084 6.648 11.284 0.768 1.00 4.23 O ATOM 1152 CB TRP A2084 7.708 9.348 -1.539 1.00 40.32 C ATOM 1153 CG TRP A2084 8.825 9.039 -2.540 1.00 1.02 C ATOM 1154 CD1 TRP A2084 9.233 7.840 -2.976 1.00 63.13 C ATOM 1155 CD2 TRP A2084 9.664 9.999 -3.215 1.00 41.35 C ATOM 1156 NE1 TRP A2084 10.269 7.956 -3.880 1.00 2.41 N ATOM 1157 CE2 TRP A2084 10.541 9.310 -4.028 1.00 71.22 C ATOM 1158 CE3 TRP A2084 9.682 11.403 -3.141 1.00 61.12 C ATOM 1159 CZ2 TRP A2084 11.498 9.943 -4.829 1.00 25.00 C ATOM 1160 CZ3 TRP A2084 10.646 12.019 -3.948 1.00 1.33 C ATOM 1161 CH2 TRP A2084 11.535 11.340 -4.772 1.00 4.31 C ATOM 0 H TRP A2084 8.672 7.666 0.056 1.00 4.21 H new ATOM 0 HA TRP A2084 8.891 10.538 -0.274 1.00 45.53 H new ATOM 0 HB2 TRP A2084 7.046 8.485 -1.471 1.00 40.32 H new ATOM 0 HB3 TRP A2084 7.112 10.177 -1.920 1.00 40.32 H new ATOM 0 HD1 TRP A2084 8.805 6.900 -2.660 1.00 63.13 H new ATOM 0 HE1 TRP A2084 10.747 7.189 -4.353 1.00 2.41 H new ATOM 0 HE3 TRP A2084 9.006 11.962 -2.511 1.00 61.12 H new ATOM 0 HZ2 TRP A2084 12.173 9.382 -5.458 1.00 25.00 H new ATOM 0 HZ3 TRP A2084 10.703 13.097 -3.929 1.00 1.33 H new ATOM 0 HH2 TRP A2084 12.251 11.888 -5.366 1.00 4.31 H new ATOM 1172 N CYS A2085 6.653 9.193 1.631 1.00 10.30 N ATOM 1173 CA CYS A2085 5.588 9.465 2.585 1.00 4.11 C ATOM 1174 C CYS A2085 6.111 10.472 3.612 1.00 74.43 C ATOM 1175 O CYS A2085 5.542 11.550 3.771 1.00 75.54 O ATOM 1176 CB CYS A2085 5.083 8.183 3.247 1.00 31.42 C ATOM 1177 SG CYS A2085 3.811 8.586 4.500 1.00 1.35 S ATOM 0 H CYS A2085 7.019 8.241 1.659 1.00 10.30 H new ATOM 0 HA CYS A2085 4.729 9.890 2.066 1.00 4.11 H new ATOM 0 HB2 CYS A2085 4.665 7.515 2.494 1.00 31.42 H new ATOM 0 HB3 CYS A2085 5.913 7.655 3.716 1.00 31.42 H new ATOM 0 HG CYS A2085 2.650 8.687 3.923 1.00 1.35 H new ATOM 1183 N ARG A2086 7.185 10.083 4.282 1.00 52.22 N ATOM 1184 CA ARG A2086 7.788 10.938 5.289 1.00 42.21 C ATOM 1185 C ARG A2086 8.292 12.235 4.651 1.00 11.14 C ATOM 1186 O ARG A2086 8.339 13.276 5.307 1.00 3.15 O ATOM 1187 CB ARG A2086 8.954 10.233 5.985 1.00 51.11 C ATOM 1188 CG ARG A2086 10.182 10.175 5.072 1.00 10.24 C ATOM 1189 CD ARG A2086 10.822 8.786 5.103 1.00 73.01 C ATOM 1190 NE ARG A2086 11.381 8.516 6.446 1.00 54.43 N ATOM 1191 CZ ARG A2086 10.761 7.772 7.389 1.00 62.05 C ATOM 1192 NH1 ARG A2086 9.556 7.219 7.140 1.00 4.41 N ATOM 1193 NH2 ARG A2086 11.352 7.595 8.555 1.00 41.42 N ATOM 0 H ARG A2086 7.653 9.187 4.147 1.00 52.22 H new ATOM 0 HA ARG A2086 7.023 11.167 6.031 1.00 42.21 H new ATOM 0 HB2 ARG A2086 9.205 10.760 6.906 1.00 51.11 H new ATOM 0 HB3 ARG A2086 8.657 9.223 6.267 1.00 51.11 H new ATOM 0 HG2 ARG A2086 9.893 10.423 4.051 1.00 10.24 H new ATOM 0 HG3 ARG A2086 10.910 10.922 5.388 1.00 10.24 H new ATOM 0 HD2 ARG A2086 10.080 8.029 4.850 1.00 73.01 H new ATOM 0 HD3 ARG A2086 11.610 8.723 4.353 1.00 73.01 H new ATOM 0 HE ARG A2086 12.291 8.916 6.675 1.00 54.43 H new ATOM 0 HH11 ARG A2086 9.107 7.361 6.235 1.00 4.41 H new ATOM 0 HH12 ARG A2086 9.094 6.659 7.856 1.00 4.41 H new ATOM 0 HH21 ARG A2086 12.263 8.017 8.734 1.00 41.42 H new ATOM 0 HH22 ARG A2086 10.898 7.036 9.277 1.00 41.42 H new ATOM 1205 N LYS A2087 8.656 12.131 3.381 1.00 11.43 N ATOM 1206 CA LYS A2087 9.155 13.282 2.648 1.00 32.10 C ATOM 1207 C LYS A2087 8.075 14.365 2.611 1.00 33.22 C ATOM 1208 O LYS A2087 8.338 15.521 2.938 1.00 62.22 O ATOM 1209 CB LYS A2087 9.652 12.861 1.265 1.00 51.03 C ATOM 1210 CG LYS A2087 11.179 12.917 1.191 1.00 24.21 C ATOM 1211 CD LYS A2087 11.701 12.080 0.021 1.00 40.10 C ATOM 1212 CE LYS A2087 12.942 12.723 -0.602 1.00 75.34 C ATOM 1213 NZ LYS A2087 14.065 11.762 -0.636 1.00 22.40 N ATOM 0 H LYS A2087 8.615 11.267 2.841 1.00 11.43 H new ATOM 0 HA LYS A2087 10.019 13.711 3.155 1.00 32.10 H new ATOM 0 HB2 LYS A2087 9.310 11.850 1.044 1.00 51.03 H new ATOM 0 HB3 LYS A2087 9.223 13.515 0.506 1.00 51.03 H new ATOM 0 HG2 LYS A2087 11.504 13.951 1.077 1.00 24.21 H new ATOM 0 HG3 LYS A2087 11.606 12.550 2.124 1.00 24.21 H new ATOM 0 HD2 LYS A2087 11.943 11.075 0.367 1.00 40.10 H new ATOM 0 HD3 LYS A2087 10.922 11.978 -0.734 1.00 40.10 H new ATOM 0 HE2 LYS A2087 12.714 13.060 -1.613 1.00 75.34 H new ATOM 0 HE3 LYS A2087 13.228 13.605 -0.028 1.00 75.34 H new ATOM 0 HZ1 LYS A2087 14.898 12.216 -1.062 1.00 22.40 H new ATOM 0 HZ2 LYS A2087 14.293 11.460 0.333 1.00 22.40 H new ATOM 0 HZ3 LYS A2087 13.795 10.933 -1.203 1.00 22.40 H new ATOM 1226 N TYR A2088 6.880 13.951 2.211 1.00 43.43 N ATOM 1227 CA TYR A2088 5.759 14.871 2.127 1.00 33.05 C ATOM 1228 C TYR A2088 5.282 15.281 3.521 1.00 11.32 C ATOM 1229 O TYR A2088 5.064 16.464 3.783 1.00 0.25 O ATOM 1230 CB TYR A2088 4.638 14.105 1.423 1.00 62.55 C ATOM 1231 CG TYR A2088 3.231 14.539 1.839 1.00 14.41 C ATOM 1232 CD1 TYR A2088 2.640 13.983 2.955 1.00 52.05 C ATOM 1233 CD2 TYR A2088 2.553 15.486 1.099 1.00 32.31 C ATOM 1234 CE1 TYR A2088 1.317 14.391 3.347 1.00 73.30 C ATOM 1235 CE2 TYR A2088 1.228 15.892 1.490 1.00 43.55 C ATOM 1236 CZ TYR A2088 0.676 15.326 2.596 1.00 13.10 C ATOM 1237 OH TYR A2088 -0.576 15.710 2.966 1.00 63.41 O ATOM 0 H TYR A2088 6.665 12.991 1.942 1.00 43.43 H new ATOM 0 HA TYR A2088 6.045 15.778 1.594 1.00 33.05 H new ATOM 0 HB2 TYR A2088 4.744 14.235 0.346 1.00 62.55 H new ATOM 0 HB3 TYR A2088 4.754 13.041 1.628 1.00 62.55 H new ATOM 0 HD1 TYR A2088 3.170 13.242 3.534 1.00 52.05 H new ATOM 0 HD2 TYR A2088 3.016 15.923 0.227 1.00 32.31 H new ATOM 0 HE1 TYR A2088 0.843 13.964 4.219 1.00 73.30 H new ATOM 0 HE2 TYR A2088 0.685 16.629 0.918 1.00 43.55 H new ATOM 0 HH TYR A2088 -0.910 16.384 2.338 1.00 63.41 H new ATOM 1247 N MET A2089 5.133 14.283 4.379 1.00 3.55 N ATOM 1248 CA MET A2089 4.685 14.526 5.739 1.00 14.41 C ATOM 1249 C MET A2089 5.610 15.514 6.453 1.00 10.13 C ATOM 1250 O MET A2089 5.164 16.286 7.302 1.00 62.12 O ATOM 1251 CB MET A2089 4.655 13.205 6.511 1.00 14.24 C ATOM 1252 CG MET A2089 3.436 12.367 6.118 1.00 51.34 C ATOM 1253 SD MET A2089 2.942 11.330 7.484 1.00 54.43 S ATOM 1254 CE MET A2089 1.176 11.589 7.445 1.00 22.14 C ATOM 0 H MET A2089 5.315 13.304 4.158 1.00 3.55 H new ATOM 0 HA MET A2089 3.685 14.957 5.700 1.00 14.41 H new ATOM 0 HB2 MET A2089 5.567 12.642 6.311 1.00 14.24 H new ATOM 0 HB3 MET A2089 4.632 13.406 7.582 1.00 14.24 H new ATOM 0 HG2 MET A2089 2.612 13.021 5.831 1.00 51.34 H new ATOM 0 HG3 MET A2089 3.672 11.751 5.250 1.00 51.34 H new ATOM 0 HE1 MET A2089 0.877 12.189 8.305 1.00 22.14 H new ATOM 0 HE2 MET A2089 0.905 12.110 6.527 1.00 22.14 H new ATOM 0 HE3 MET A2089 0.666 10.626 7.479 1.00 22.14 H new ATOM 1264 N LYS A2090 6.881 15.458 6.085 1.00 4.14 N ATOM 1265 CA LYS A2090 7.873 16.338 6.679 1.00 23.41 C ATOM 1266 C LYS A2090 8.000 17.603 5.830 1.00 42.01 C ATOM 1267 O LYS A2090 7.820 18.712 6.331 1.00 45.44 O ATOM 1268 CB LYS A2090 9.196 15.596 6.880 1.00 4.11 C ATOM 1269 CG LYS A2090 10.223 16.487 7.581 1.00 4.42 C ATOM 1270 CD LYS A2090 9.557 17.357 8.648 1.00 12.42 C ATOM 1271 CE LYS A2090 10.597 18.179 9.413 1.00 60.14 C ATOM 1272 NZ LYS A2090 11.567 17.290 10.089 1.00 74.31 N ATOM 0 H LYS A2090 7.247 14.816 5.382 1.00 4.14 H new ATOM 0 HA LYS A2090 7.557 16.652 7.674 1.00 23.41 H new ATOM 0 HB2 LYS A2090 9.026 14.696 7.471 1.00 4.11 H new ATOM 0 HB3 LYS A2090 9.587 15.274 5.915 1.00 4.11 H new ATOM 0 HG2 LYS A2090 10.993 15.868 8.041 1.00 4.42 H new ATOM 0 HG3 LYS A2090 10.720 17.122 6.847 1.00 4.42 H new ATOM 0 HD2 LYS A2090 8.834 18.024 8.179 1.00 12.42 H new ATOM 0 HD3 LYS A2090 9.004 16.726 9.344 1.00 12.42 H new ATOM 0 HE2 LYS A2090 11.121 18.843 8.726 1.00 60.14 H new ATOM 0 HE3 LYS A2090 10.100 18.811 10.149 1.00 60.14 H new ATOM 0 HZ1 LYS A2090 12.053 17.816 10.843 1.00 74.31 H new ATOM 0 HZ2 LYS A2090 11.065 16.478 10.502 1.00 74.31 H new ATOM 0 HZ3 LYS A2090 12.266 16.950 9.398 1.00 74.31 H new ATOM 1285 N SER A2091 8.309 17.394 4.558 1.00 64.43 N ATOM 1286 CA SER A2091 8.463 18.506 3.634 1.00 21.52 C ATOM 1287 C SER A2091 7.101 19.145 3.354 1.00 52.52 C ATOM 1288 O SER A2091 6.873 20.305 3.698 1.00 4.24 O ATOM 1289 CB SER A2091 9.113 18.049 2.326 1.00 65.20 C ATOM 1290 OG SER A2091 9.693 19.135 1.609 1.00 13.41 O ATOM 0 H SER A2091 8.457 16.473 4.146 1.00 64.43 H new ATOM 0 HA SER A2091 9.117 19.246 4.095 1.00 21.52 H new ATOM 0 HB2 SER A2091 9.881 17.307 2.543 1.00 65.20 H new ATOM 0 HB3 SER A2091 8.365 17.560 1.701 1.00 65.20 H new ATOM 0 HG SER A2091 10.099 18.801 0.782 1.00 13.41 H new ATOM 1296 N GLY A2092 6.231 18.362 2.732 1.00 52.45 N ATOM 1297 CA GLY A2092 4.899 18.838 2.401 1.00 15.53 C ATOM 1298 C GLY A2092 4.791 19.182 0.915 1.00 45.34 C ATOM 1299 O GLY A2092 4.898 20.345 0.534 1.00 74.21 O ATOM 0 H GLY A2092 6.423 17.401 2.449 1.00 52.45 H new ATOM 0 HA2 GLY A2092 4.163 18.075 2.655 1.00 15.53 H new ATOM 0 HA3 GLY A2092 4.665 19.719 2.999 1.00 15.53 H new ATOM 1303 N ASN A2093 4.583 18.147 0.115 1.00 25.33 N ATOM 1304 CA ASN A2093 4.461 18.323 -1.322 1.00 62.32 C ATOM 1305 C ASN A2093 3.608 17.192 -1.900 1.00 24.21 C ATOM 1306 O ASN A2093 3.958 16.019 -1.772 1.00 14.34 O ATOM 1307 CB ASN A2093 5.829 18.279 -2.001 1.00 41.34 C ATOM 1308 CG ASN A2093 6.075 19.545 -2.825 1.00 32.32 C ATOM 1309 OD1 ASN A2093 5.235 20.424 -2.927 1.00 74.01 O ATOM 1310 ND2 ASN A2093 7.270 19.590 -3.405 1.00 4.20 N ATOM 0 H ASN A2093 4.496 17.182 0.435 1.00 25.33 H new ATOM 0 HA ASN A2093 4.000 19.294 -1.504 1.00 62.32 H new ATOM 0 HB2 ASN A2093 6.609 18.174 -1.247 1.00 41.34 H new ATOM 0 HB3 ASN A2093 5.890 17.403 -2.647 1.00 41.34 H new ATOM 0 HD21 ASN A2093 7.530 20.394 -3.976 1.00 4.20 H new ATOM 0 HD22 ASN A2093 7.927 18.820 -3.279 1.00 4.20 H new ATOM 1317 N VAL A2094 2.507 17.582 -2.525 1.00 5.41 N ATOM 1318 CA VAL A2094 1.605 16.615 -3.125 1.00 72.24 C ATOM 1319 C VAL A2094 2.374 15.760 -4.134 1.00 12.13 C ATOM 1320 O VAL A2094 2.036 14.598 -4.353 1.00 21.23 O ATOM 1321 CB VAL A2094 0.403 17.334 -3.744 1.00 14.44 C ATOM 1322 CG1 VAL A2094 0.737 17.853 -5.143 1.00 62.12 C ATOM 1323 CG2 VAL A2094 -0.825 16.422 -3.774 1.00 25.04 C ATOM 0 H VAL A2094 2.219 18.555 -2.629 1.00 5.41 H new ATOM 0 HA VAL A2094 1.209 15.941 -2.365 1.00 72.24 H new ATOM 0 HB VAL A2094 0.166 18.193 -3.117 1.00 14.44 H new ATOM 0 HG11 VAL A2094 -0.133 18.359 -5.561 1.00 62.12 H new ATOM 0 HG12 VAL A2094 1.570 18.553 -5.082 1.00 62.12 H new ATOM 0 HG13 VAL A2094 1.013 17.017 -5.785 1.00 62.12 H new ATOM 0 HG21 VAL A2094 -1.665 16.957 -4.218 1.00 25.04 H new ATOM 0 HG22 VAL A2094 -0.605 15.535 -4.368 1.00 25.04 H new ATOM 0 HG23 VAL A2094 -1.082 16.124 -2.757 1.00 25.04 H new ATOM 1333 N LYS A2095 3.395 16.369 -4.720 1.00 24.32 N ATOM 1334 CA LYS A2095 4.216 15.678 -5.700 1.00 33.02 C ATOM 1335 C LYS A2095 4.826 14.430 -5.059 1.00 41.34 C ATOM 1336 O LYS A2095 4.758 13.341 -5.625 1.00 1.32 O ATOM 1337 CB LYS A2095 5.250 16.632 -6.300 1.00 45.22 C ATOM 1338 CG LYS A2095 6.013 15.964 -7.445 1.00 24.44 C ATOM 1339 CD LYS A2095 6.627 17.009 -8.378 1.00 63.40 C ATOM 1340 CE LYS A2095 7.964 16.521 -8.943 1.00 54.45 C ATOM 1341 NZ LYS A2095 8.360 17.339 -10.112 1.00 2.20 N ATOM 0 H LYS A2095 3.672 17.333 -4.535 1.00 24.32 H new ATOM 0 HA LYS A2095 3.607 15.339 -6.538 1.00 33.02 H new ATOM 0 HB2 LYS A2095 4.752 17.530 -6.665 1.00 45.22 H new ATOM 0 HB3 LYS A2095 5.951 16.948 -5.527 1.00 45.22 H new ATOM 0 HG2 LYS A2095 6.799 15.327 -7.040 1.00 24.44 H new ATOM 0 HG3 LYS A2095 5.339 15.319 -8.009 1.00 24.44 H new ATOM 0 HD2 LYS A2095 5.938 17.221 -9.196 1.00 63.40 H new ATOM 0 HD3 LYS A2095 6.776 17.943 -7.836 1.00 63.40 H new ATOM 0 HE2 LYS A2095 8.734 16.578 -8.173 1.00 54.45 H new ATOM 0 HE3 LYS A2095 7.882 15.474 -9.235 1.00 54.45 H new ATOM 0 HZ1 LYS A2095 9.269 16.996 -10.484 1.00 2.20 H new ATOM 0 HZ2 LYS A2095 7.632 17.263 -10.851 1.00 2.20 H new ATOM 0 HZ3 LYS A2095 8.458 18.333 -9.823 1.00 2.20 H new ATOM 1354 N ASP A2096 5.408 14.632 -3.885 1.00 44.35 N ATOM 1355 CA ASP A2096 6.031 13.537 -3.163 1.00 14.31 C ATOM 1356 C ASP A2096 4.950 12.571 -2.677 1.00 35.35 C ATOM 1357 O ASP A2096 5.133 11.356 -2.718 1.00 31.42 O ATOM 1358 CB ASP A2096 6.792 14.049 -1.938 1.00 5.10 C ATOM 1359 CG ASP A2096 7.574 15.346 -2.157 1.00 50.41 C ATOM 1360 OD1 ASP A2096 7.470 15.982 -3.217 1.00 53.23 O ATOM 1361 OD2 ASP A2096 8.326 15.704 -1.171 1.00 22.53 O ATOM 0 H ASP A2096 5.461 15.537 -3.417 1.00 44.35 H new ATOM 0 HA ASP A2096 6.726 13.040 -3.839 1.00 14.31 H new ATOM 0 HB2 ASP A2096 6.081 14.204 -1.126 1.00 5.10 H new ATOM 0 HB3 ASP A2096 7.486 13.275 -1.611 1.00 5.10 H new ATOM 1367 N LEU A2097 3.845 13.149 -2.226 1.00 30.43 N ATOM 1368 CA LEU A2097 2.733 12.355 -1.734 1.00 34.23 C ATOM 1369 C LEU A2097 2.175 11.501 -2.875 1.00 15.33 C ATOM 1370 O LEU A2097 1.969 10.300 -2.711 1.00 65.44 O ATOM 1371 CB LEU A2097 1.686 13.252 -1.070 1.00 2.31 C ATOM 1372 CG LEU A2097 0.238 12.766 -1.149 1.00 21.32 C ATOM 1373 CD1 LEU A2097 0.157 11.250 -0.962 1.00 13.24 C ATOM 1374 CD2 LEU A2097 -0.647 13.514 -0.149 1.00 51.31 C ATOM 0 H LEU A2097 3.697 14.158 -2.191 1.00 30.43 H new ATOM 0 HA LEU A2097 3.071 11.669 -0.958 1.00 34.23 H new ATOM 0 HB2 LEU A2097 1.952 13.370 -0.019 1.00 2.31 H new ATOM 0 HB3 LEU A2097 1.742 14.240 -1.526 1.00 2.31 H new ATOM 0 HG LEU A2097 -0.142 12.988 -2.146 1.00 21.32 H new ATOM 0 HD11 LEU A2097 -0.884 10.931 -1.023 1.00 13.24 H new ATOM 0 HD12 LEU A2097 0.734 10.756 -1.743 1.00 13.24 H new ATOM 0 HD13 LEU A2097 0.563 10.982 0.013 1.00 13.24 H new ATOM 0 HD21 LEU A2097 -1.671 13.149 -0.226 1.00 51.31 H new ATOM 0 HD22 LEU A2097 -0.277 13.345 0.862 1.00 51.31 H new ATOM 0 HD23 LEU A2097 -0.624 14.581 -0.370 1.00 51.31 H new ATOM 1386 N THR A2098 1.948 12.155 -4.005 1.00 60.30 N ATOM 1387 CA THR A2098 1.418 11.473 -5.171 1.00 1.04 C ATOM 1388 C THR A2098 2.346 10.325 -5.584 1.00 20.42 C ATOM 1389 O THR A2098 1.879 9.241 -5.930 1.00 12.20 O ATOM 1390 CB THR A2098 1.211 12.512 -6.274 1.00 3.32 C ATOM 1391 OG1 THR A2098 0.038 13.213 -5.873 1.00 73.24 O ATOM 1392 CG2 THR A2098 0.825 11.876 -7.613 1.00 4.32 C ATOM 0 H THR A2098 2.122 13.151 -4.137 1.00 60.30 H new ATOM 0 HA THR A2098 0.455 11.011 -4.955 1.00 1.04 H new ATOM 0 HB THR A2098 2.123 13.096 -6.399 1.00 3.32 H new ATOM 0 HG1 THR A2098 0.254 13.814 -5.130 1.00 73.24 H new ATOM 0 HG21 THR A2098 0.690 12.657 -8.361 1.00 4.32 H new ATOM 0 HG22 THR A2098 1.615 11.198 -7.935 1.00 4.32 H new ATOM 0 HG23 THR A2098 -0.105 11.320 -7.497 1.00 4.32 H new ATOM 1400 N GLN A2099 3.638 10.605 -5.532 1.00 61.43 N ATOM 1401 CA GLN A2099 4.634 9.612 -5.897 1.00 31.25 C ATOM 1402 C GLN A2099 4.488 8.368 -5.016 1.00 24.30 C ATOM 1403 O GLN A2099 4.422 7.249 -5.522 1.00 4.15 O ATOM 1404 CB GLN A2099 6.047 10.189 -5.799 1.00 61.24 C ATOM 1405 CG GLN A2099 6.730 10.199 -7.168 1.00 65.40 C ATOM 1406 CD GLN A2099 7.820 9.127 -7.245 1.00 12.31 C ATOM 1407 OE1 GLN A2099 8.972 9.352 -6.910 1.00 41.42 O ATOM 1408 NE2 GLN A2099 7.393 7.953 -7.702 1.00 2.11 N ATOM 0 H GLN A2099 4.020 11.506 -5.243 1.00 61.43 H new ATOM 0 HA GLN A2099 4.467 9.323 -6.935 1.00 31.25 H new ATOM 0 HB2 GLN A2099 6.003 11.204 -5.403 1.00 61.24 H new ATOM 0 HB3 GLN A2099 6.637 9.599 -5.098 1.00 61.24 H new ATOM 0 HG2 GLN A2099 5.990 10.027 -7.949 1.00 65.40 H new ATOM 0 HG3 GLN A2099 7.166 11.180 -7.354 1.00 65.40 H new ATOM 0 HE21 GLN A2099 6.415 7.833 -7.965 1.00 2.11 H new ATOM 0 HE22 GLN A2099 8.044 7.173 -7.790 1.00 2.11 H new ATOM 1417 N ALA A2100 4.443 8.607 -3.713 1.00 60.31 N ATOM 1418 CA ALA A2100 4.306 7.521 -2.758 1.00 24.31 C ATOM 1419 C ALA A2100 3.049 6.712 -3.086 1.00 73.44 C ATOM 1420 O ALA A2100 3.091 5.484 -3.137 1.00 14.33 O ATOM 1421 CB ALA A2100 4.279 8.090 -1.337 1.00 23.33 C ATOM 0 H ALA A2100 4.499 9.537 -3.297 1.00 60.31 H new ATOM 0 HA ALA A2100 5.158 6.845 -2.823 1.00 24.31 H new ATOM 0 HB1 ALA A2100 4.176 7.275 -0.621 1.00 23.33 H new ATOM 0 HB2 ALA A2100 5.207 8.629 -1.143 1.00 23.33 H new ATOM 0 HB3 ALA A2100 3.435 8.772 -1.234 1.00 23.33 H new ATOM 1427 N TRP A2101 1.959 7.436 -3.301 1.00 3.42 N ATOM 1428 CA TRP A2101 0.693 6.802 -3.623 1.00 62.51 C ATOM 1429 C TRP A2101 0.872 6.020 -4.927 1.00 4.40 C ATOM 1430 O TRP A2101 0.328 4.928 -5.080 1.00 60.34 O ATOM 1431 CB TRP A2101 -0.435 7.834 -3.698 1.00 2.44 C ATOM 1432 CG TRP A2101 -1.556 7.606 -2.680 1.00 64.44 C ATOM 1433 CD1 TRP A2101 -1.992 8.443 -1.732 1.00 53.51 C ATOM 1434 CD2 TRP A2101 -2.370 6.421 -2.552 1.00 35.05 C ATOM 1435 NE1 TRP A2101 -3.024 7.888 -1.003 1.00 11.44 N ATOM 1436 CE2 TRP A2101 -3.261 6.620 -1.517 1.00 11.31 C ATOM 1437 CE3 TRP A2101 -2.355 5.221 -3.284 1.00 20.21 C ATOM 1438 CZ2 TRP A2101 -4.202 5.662 -1.121 1.00 32.14 C ATOM 1439 CZ3 TRP A2101 -3.302 4.274 -2.877 1.00 41.40 C ATOM 1440 CH2 TRP A2101 -4.205 4.458 -1.838 1.00 53.51 C ATOM 0 H TRP A2101 1.928 8.455 -3.258 1.00 3.42 H new ATOM 0 HA TRP A2101 0.401 6.107 -2.836 1.00 62.51 H new ATOM 0 HB2 TRP A2101 -0.015 8.828 -3.544 1.00 2.44 H new ATOM 0 HB3 TRP A2101 -0.861 7.820 -4.701 1.00 2.44 H new ATOM 0 HD1 TRP A2101 -1.587 9.429 -1.559 1.00 53.51 H new ATOM 0 HE1 TRP A2101 -3.521 8.328 -0.229 1.00 11.44 H new ATOM 0 HE3 TRP A2101 -1.667 5.044 -4.097 1.00 20.21 H new ATOM 0 HZ2 TRP A2101 -4.889 5.841 -0.307 1.00 32.14 H new ATOM 0 HZ3 TRP A2101 -3.333 3.334 -3.408 1.00 41.40 H new ATOM 0 HH2 TRP A2101 -4.906 3.677 -1.584 1.00 53.51 H new ATOM 1451 N ASP A2102 1.639 6.610 -5.833 1.00 52.32 N ATOM 1452 CA ASP A2102 1.897 5.983 -7.117 1.00 2.43 C ATOM 1453 C ASP A2102 2.567 4.625 -6.892 1.00 43.04 C ATOM 1454 O ASP A2102 2.121 3.613 -7.429 1.00 42.00 O ATOM 1455 CB ASP A2102 2.840 6.837 -7.968 1.00 73.24 C ATOM 1456 CG ASP A2102 2.389 7.051 -9.414 1.00 43.02 C ATOM 1457 OD1 ASP A2102 1.276 7.531 -9.672 1.00 24.33 O ATOM 1458 OD2 ASP A2102 3.246 6.697 -10.311 1.00 72.00 O ATOM 0 H ASP A2102 2.090 7.516 -5.702 1.00 52.32 H new ATOM 0 HA ASP A2102 0.944 5.871 -7.634 1.00 2.43 H new ATOM 0 HB2 ASP A2102 2.955 7.810 -7.491 1.00 73.24 H new ATOM 0 HB3 ASP A2102 3.824 6.368 -7.976 1.00 73.24 H new ATOM 1464 N LEU A2103 3.626 4.648 -6.095 1.00 32.14 N ATOM 1465 CA LEU A2103 4.359 3.431 -5.792 1.00 11.41 C ATOM 1466 C LEU A2103 3.392 2.379 -5.249 1.00 25.25 C ATOM 1467 O LEU A2103 3.327 1.264 -5.766 1.00 61.22 O ATOM 1468 CB LEU A2103 5.530 3.733 -4.853 1.00 2.45 C ATOM 1469 CG LEU A2103 6.799 4.271 -5.516 1.00 51.40 C ATOM 1470 CD1 LEU A2103 6.679 5.771 -5.792 1.00 65.34 C ATOM 1471 CD2 LEU A2103 8.039 3.941 -4.681 1.00 33.23 C ATOM 0 H LEU A2103 3.993 5.490 -5.651 1.00 32.14 H new ATOM 0 HA LEU A2103 4.803 3.018 -6.698 1.00 11.41 H new ATOM 0 HB2 LEU A2103 5.197 4.458 -4.110 1.00 2.45 H new ATOM 0 HB3 LEU A2103 5.784 2.819 -4.316 1.00 2.45 H new ATOM 0 HG LEU A2103 6.917 3.773 -6.478 1.00 51.40 H new ATOM 0 HD11 LEU A2103 7.594 6.129 -6.264 1.00 65.34 H new ATOM 0 HD12 LEU A2103 5.834 5.952 -6.456 1.00 65.34 H new ATOM 0 HD13 LEU A2103 6.523 6.302 -4.853 1.00 65.34 H new ATOM 0 HD21 LEU A2103 8.926 4.335 -5.176 1.00 33.23 H new ATOM 0 HD22 LEU A2103 7.943 4.393 -3.694 1.00 33.23 H new ATOM 0 HD23 LEU A2103 8.131 2.860 -4.578 1.00 33.23 H new ATOM 1483 N TYR A2104 2.664 2.768 -4.211 1.00 24.45 N ATOM 1484 CA TYR A2104 1.704 1.871 -3.594 1.00 73.12 C ATOM 1485 C TYR A2104 0.724 1.316 -4.630 1.00 43.23 C ATOM 1486 O TYR A2104 0.588 0.101 -4.772 1.00 64.14 O ATOM 1487 CB TYR A2104 0.928 2.718 -2.581 1.00 13.24 C ATOM 1488 CG TYR A2104 1.747 3.127 -1.354 1.00 23.22 C ATOM 1489 CD1 TYR A2104 2.678 2.256 -0.826 1.00 33.12 C ATOM 1490 CD2 TYR A2104 1.557 4.366 -0.779 1.00 61.31 C ATOM 1491 CE1 TYR A2104 3.448 2.638 0.329 1.00 51.31 C ATOM 1492 CE2 TYR A2104 2.327 4.751 0.376 1.00 64.10 C ATOM 1493 CZ TYR A2104 3.235 3.868 0.872 1.00 44.30 C ATOM 1494 OH TYR A2104 3.963 4.231 1.962 1.00 54.33 O ATOM 0 H TYR A2104 2.721 3.692 -3.783 1.00 24.45 H new ATOM 0 HA TYR A2104 2.213 1.025 -3.133 1.00 73.12 H new ATOM 0 HB2 TYR A2104 0.564 3.617 -3.078 1.00 13.24 H new ATOM 0 HB3 TYR A2104 0.052 2.159 -2.251 1.00 13.24 H new ATOM 0 HD1 TYR A2104 2.829 1.287 -1.279 1.00 33.12 H new ATOM 0 HD2 TYR A2104 0.830 5.048 -1.195 1.00 61.31 H new ATOM 0 HE1 TYR A2104 4.177 1.965 0.755 1.00 51.31 H new ATOM 0 HE2 TYR A2104 2.187 5.718 0.837 1.00 64.10 H new ATOM 0 HH TYR A2104 3.706 5.135 2.241 1.00 54.33 H new ATOM 1504 N TYR A2105 0.070 2.232 -5.328 1.00 65.22 N ATOM 1505 CA TYR A2105 -0.891 1.849 -6.348 1.00 71.40 C ATOM 1506 C TYR A2105 -0.310 0.779 -7.276 1.00 72.43 C ATOM 1507 O TYR A2105 -1.025 -0.120 -7.716 1.00 63.32 O ATOM 1508 CB TYR A2105 -1.170 3.115 -7.162 1.00 2.45 C ATOM 1509 CG TYR A2105 -2.601 3.209 -7.694 1.00 30.34 C ATOM 1510 CD1 TYR A2105 -3.256 2.073 -8.126 1.00 2.45 C ATOM 1511 CD2 TYR A2105 -3.241 4.432 -7.741 1.00 54.33 C ATOM 1512 CE1 TYR A2105 -4.602 2.162 -8.625 1.00 61.22 C ATOM 1513 CE2 TYR A2105 -4.588 4.522 -8.242 1.00 44.41 C ATOM 1514 CZ TYR A2105 -5.202 3.382 -8.660 1.00 71.22 C ATOM 1515 OH TYR A2105 -6.475 3.468 -9.132 1.00 1.15 O ATOM 0 H TYR A2105 0.186 3.238 -5.208 1.00 65.22 H new ATOM 0 HA TYR A2105 -1.791 1.438 -5.891 1.00 71.40 H new ATOM 0 HB2 TYR A2105 -0.966 3.987 -6.540 1.00 2.45 H new ATOM 0 HB3 TYR A2105 -0.477 3.154 -8.003 1.00 2.45 H new ATOM 0 HD1 TYR A2105 -2.757 1.116 -8.089 1.00 2.45 H new ATOM 0 HD2 TYR A2105 -2.731 5.321 -7.402 1.00 54.33 H new ATOM 0 HE1 TYR A2105 -5.125 1.280 -8.964 1.00 61.22 H new ATOM 0 HE2 TYR A2105 -5.099 5.472 -8.285 1.00 44.41 H new ATOM 0 HH TYR A2105 -6.775 4.400 -9.097 1.00 1.15 H new ATOM 1525 N HIS A2106 0.980 0.912 -7.544 1.00 21.35 N ATOM 1526 CA HIS A2106 1.665 -0.033 -8.410 1.00 54.23 C ATOM 1527 C HIS A2106 1.646 -1.423 -7.771 1.00 2.43 C ATOM 1528 O HIS A2106 1.360 -2.413 -8.440 1.00 24.44 O ATOM 1529 CB HIS A2106 3.080 0.453 -8.731 1.00 63.24 C ATOM 1530 CG HIS A2106 3.775 -0.349 -9.807 1.00 71.13 C ATOM 1531 ND1 HIS A2106 4.114 -1.681 -9.648 1.00 41.25 N ATOM 1532 CD2 HIS A2106 4.189 0.008 -11.058 1.00 14.34 C ATOM 1533 CE1 HIS A2106 4.706 -2.097 -10.758 1.00 52.22 C ATOM 1534 NE2 HIS A2106 4.751 -1.049 -11.629 1.00 5.12 N ATOM 0 H HIS A2106 1.569 1.659 -7.177 1.00 21.35 H new ATOM 0 HA HIS A2106 1.142 -0.103 -9.364 1.00 54.23 H new ATOM 0 HB2 HIS A2106 3.033 1.496 -9.043 1.00 63.24 H new ATOM 0 HB3 HIS A2106 3.680 0.419 -7.822 1.00 63.24 H new ATOM 0 HD2 HIS A2106 4.078 0.984 -11.506 1.00 14.34 H new ATOM 0 HE1 HIS A2106 5.086 -3.091 -10.941 1.00 52.22 H new ATOM 0 HE2 HIS A2106 5.152 -1.074 -12.567 1.00 5.12 H new ATOM 1543 N VAL A2107 1.955 -1.451 -6.484 1.00 2.33 N ATOM 1544 CA VAL A2107 1.976 -2.702 -5.746 1.00 44.22 C ATOM 1545 C VAL A2107 0.540 -3.124 -5.424 1.00 3.35 C ATOM 1546 O VAL A2107 0.224 -4.314 -5.425 1.00 64.11 O ATOM 1547 CB VAL A2107 2.852 -2.561 -4.500 1.00 30.23 C ATOM 1548 CG1 VAL A2107 3.943 -1.509 -4.713 1.00 14.01 C ATOM 1549 CG2 VAL A2107 2.004 -2.232 -3.269 1.00 73.33 C ATOM 0 H VAL A2107 2.193 -0.627 -5.932 1.00 2.33 H new ATOM 0 HA VAL A2107 2.420 -3.494 -6.350 1.00 44.22 H new ATOM 0 HB VAL A2107 3.341 -3.519 -4.323 1.00 30.23 H new ATOM 0 HG11 VAL A2107 4.552 -1.428 -3.812 1.00 14.01 H new ATOM 0 HG12 VAL A2107 4.574 -1.803 -5.552 1.00 14.01 H new ATOM 0 HG13 VAL A2107 3.482 -0.545 -4.927 1.00 14.01 H new ATOM 0 HG21 VAL A2107 2.651 -2.137 -2.397 1.00 73.33 H new ATOM 0 HG22 VAL A2107 1.475 -1.293 -3.432 1.00 73.33 H new ATOM 0 HG23 VAL A2107 1.282 -3.031 -3.100 1.00 73.33 H new ATOM 1559 N PHE A2108 -0.289 -2.128 -5.157 1.00 65.34 N ATOM 1560 CA PHE A2108 -1.683 -2.382 -4.833 1.00 53.55 C ATOM 1561 C PHE A2108 -2.463 -2.824 -6.074 1.00 15.11 C ATOM 1562 O PHE A2108 -3.408 -3.604 -5.972 1.00 11.24 O ATOM 1563 CB PHE A2108 -2.269 -1.066 -4.318 1.00 73.32 C ATOM 1564 CG PHE A2108 -2.176 -0.893 -2.801 1.00 22.50 C ATOM 1565 CD1 PHE A2108 -1.029 -0.425 -2.239 1.00 2.33 C ATOM 1566 CD2 PHE A2108 -3.239 -1.209 -2.014 1.00 44.41 C ATOM 1567 CE1 PHE A2108 -0.942 -0.265 -0.831 1.00 62.31 C ATOM 1568 CE2 PHE A2108 -3.152 -1.049 -0.606 1.00 24.14 C ATOM 1569 CZ PHE A2108 -2.005 -0.581 -0.044 1.00 43.34 C ATOM 0 H PHE A2108 -0.024 -1.143 -5.158 1.00 65.34 H new ATOM 0 HA PHE A2108 -1.754 -3.177 -4.091 1.00 53.55 H new ATOM 0 HB2 PHE A2108 -1.751 -0.237 -4.800 1.00 73.32 H new ATOM 0 HB3 PHE A2108 -3.316 -1.005 -4.617 1.00 73.32 H new ATOM 0 HD1 PHE A2108 -0.184 -0.175 -2.864 1.00 2.33 H new ATOM 0 HD2 PHE A2108 -4.149 -1.582 -2.460 1.00 44.41 H new ATOM 0 HE1 PHE A2108 -0.032 0.108 -0.385 1.00 62.31 H new ATOM 0 HE2 PHE A2108 -3.997 -1.299 0.019 1.00 24.14 H new ATOM 0 HZ PHE A2108 -1.939 -0.460 1.027 1.00 43.34 H new ATOM 1579 N ARG A2109 -2.036 -2.304 -7.217 1.00 15.12 N ATOM 1580 CA ARG A2109 -2.682 -2.634 -8.475 1.00 23.24 C ATOM 1581 C ARG A2109 -2.206 -4.000 -8.973 1.00 24.13 C ATOM 1582 O ARG A2109 -2.955 -4.721 -9.631 1.00 13.01 O ATOM 1583 CB ARG A2109 -2.385 -1.579 -9.541 1.00 51.33 C ATOM 1584 CG ARG A2109 -0.945 -1.699 -10.046 1.00 61.04 C ATOM 1585 CD ARG A2109 -0.719 -0.815 -11.272 1.00 30.11 C ATOM 1586 NE ARG A2109 -0.527 0.593 -10.853 1.00 5.31 N ATOM 1587 CZ ARG A2109 0.058 1.538 -11.620 1.00 1.12 C ATOM 1588 NH1 ARG A2109 0.514 1.235 -12.852 1.00 24.22 N ATOM 1589 NH2 ARG A2109 0.179 2.763 -11.143 1.00 64.13 N ATOM 0 H ARG A2109 -1.251 -1.657 -7.297 1.00 15.12 H new ATOM 0 HA ARG A2109 -3.757 -2.662 -8.298 1.00 23.24 H new ATOM 0 HB2 ARG A2109 -3.077 -1.695 -10.375 1.00 51.33 H new ATOM 0 HB3 ARG A2109 -2.547 -0.584 -9.128 1.00 51.33 H new ATOM 0 HG2 ARG A2109 -0.253 -1.412 -9.254 1.00 61.04 H new ATOM 0 HG3 ARG A2109 -0.729 -2.737 -10.297 1.00 61.04 H new ATOM 0 HD2 ARG A2109 0.155 -1.161 -11.824 1.00 30.11 H new ATOM 0 HD3 ARG A2109 -1.572 -0.889 -11.946 1.00 30.11 H new ATOM 0 HE ARG A2109 -0.857 0.866 -9.927 1.00 5.31 H new ATOM 0 HH11 ARG A2109 0.418 0.285 -13.212 1.00 24.22 H new ATOM 0 HH12 ARG A2109 0.954 1.955 -13.424 1.00 24.22 H new ATOM 0 HH21 ARG A2109 -0.167 2.983 -10.209 1.00 64.13 H new ATOM 0 HH22 ARG A2109 0.618 3.489 -11.708 1.00 64.13 H new ATOM 1601 N ARG A2110 -0.962 -4.316 -8.640 1.00 31.52 N ATOM 1602 CA ARG A2110 -0.377 -5.582 -9.046 1.00 32.31 C ATOM 1603 C ARG A2110 -1.027 -6.736 -8.279 1.00 13.54 C ATOM 1604 O ARG A2110 -1.459 -7.720 -8.880 1.00 13.52 O ATOM 1605 CB ARG A2110 1.132 -5.598 -8.793 1.00 62.20 C ATOM 1606 CG ARG A2110 1.794 -6.780 -9.503 1.00 71.54 C ATOM 1607 CD ARG A2110 1.814 -6.570 -11.018 1.00 3.14 C ATOM 1608 NE ARG A2110 2.424 -7.744 -11.684 1.00 53.23 N ATOM 1609 CZ ARG A2110 2.250 -8.051 -12.988 1.00 55.34 C ATOM 1610 NH1 ARG A2110 1.479 -7.271 -13.776 1.00 25.41 N ATOM 1611 NH2 ARG A2110 2.843 -9.122 -13.478 1.00 20.50 N ATOM 0 H ARG A2110 -0.344 -3.716 -8.094 1.00 31.52 H new ATOM 0 HA ARG A2110 -0.556 -5.703 -10.114 1.00 32.31 H new ATOM 0 HB2 ARG A2110 1.573 -4.665 -9.144 1.00 62.20 H new ATOM 0 HB3 ARG A2110 1.324 -5.659 -7.722 1.00 62.20 H new ATOM 0 HG2 ARG A2110 2.813 -6.904 -9.136 1.00 71.54 H new ATOM 0 HG3 ARG A2110 1.256 -7.698 -9.267 1.00 71.54 H new ATOM 0 HD2 ARG A2110 0.799 -6.419 -11.386 1.00 3.14 H new ATOM 0 HD3 ARG A2110 2.378 -5.670 -11.261 1.00 3.14 H new ATOM 0 HE ARG A2110 3.013 -8.359 -11.123 1.00 53.23 H new ATOM 0 HH11 ARG A2110 1.024 -6.445 -13.387 1.00 25.41 H new ATOM 0 HH12 ARG A2110 1.351 -7.508 -14.760 1.00 25.41 H new ATOM 0 HH21 ARG A2110 3.423 -9.705 -12.874 1.00 20.50 H new ATOM 0 HH22 ARG A2110 2.722 -9.368 -14.461 1.00 20.50 H new ATOM 1623 N ILE A2111 -1.075 -6.579 -6.965 1.00 44.52 N ATOM 1624 CA ILE A2111 -1.664 -7.596 -6.110 1.00 33.32 C ATOM 1625 C ILE A2111 -2.963 -8.098 -6.744 1.00 3.02 C ATOM 1626 O ILE A2111 -3.338 -9.256 -6.564 1.00 34.23 O ATOM 1627 CB ILE A2111 -1.840 -7.063 -4.687 1.00 12.33 C ATOM 1628 CG1 ILE A2111 -2.489 -5.677 -4.697 1.00 14.23 C ATOM 1629 CG2 ILE A2111 -0.510 -7.067 -3.931 1.00 52.10 C ATOM 1630 CD1 ILE A2111 -2.709 -5.165 -3.272 1.00 72.11 C ATOM 0 H ILE A2111 -0.716 -5.762 -6.471 1.00 44.52 H new ATOM 0 HA ILE A2111 -0.998 -8.454 -6.024 1.00 33.32 H new ATOM 0 HB ILE A2111 -2.516 -7.732 -4.153 1.00 12.33 H new ATOM 0 HG12 ILE A2111 -1.856 -4.979 -5.245 1.00 14.23 H new ATOM 0 HG13 ILE A2111 -3.443 -5.722 -5.223 1.00 14.23 H new ATOM 0 HG21 ILE A2111 -0.664 -6.683 -2.922 1.00 52.10 H new ATOM 0 HG22 ILE A2111 -0.125 -8.085 -3.877 1.00 52.10 H new ATOM 0 HG23 ILE A2111 0.208 -6.435 -4.454 1.00 52.10 H new ATOM 0 HD11 ILE A2111 -3.171 -4.179 -3.307 1.00 72.11 H new ATOM 0 HD12 ILE A2111 -3.362 -5.853 -2.735 1.00 72.11 H new ATOM 0 HD13 ILE A2111 -1.750 -5.098 -2.757 1.00 72.11 H new ATOM 1642 N SER A2112 -3.614 -7.204 -7.472 1.00 71.23 N ATOM 1643 CA SER A2112 -4.863 -7.541 -8.134 1.00 30.02 C ATOM 1644 C SER A2112 -4.585 -8.033 -9.555 1.00 64.33 C ATOM 1645 O SER A2112 -4.976 -9.140 -9.920 1.00 22.44 O ATOM 1646 CB SER A2112 -5.813 -6.341 -8.162 1.00 10.11 C ATOM 1647 OG SER A2112 -7.106 -6.696 -8.646 1.00 2.24 O ATOM 0 H SER A2112 -3.300 -6.245 -7.619 1.00 71.23 H new ATOM 0 HA SER A2112 -5.346 -8.338 -7.569 1.00 30.02 H new ATOM 0 HB2 SER A2112 -5.903 -5.926 -7.158 1.00 10.11 H new ATOM 0 HB3 SER A2112 -5.391 -5.559 -8.794 1.00 10.11 H new ATOM 0 HG SER A2112 -7.684 -5.904 -8.647 1.00 2.24 H new ATOM 1653 N LYS A2113 -3.912 -7.186 -10.321 1.00 40.24 N ATOM 1654 CA LYS A2113 -3.579 -7.520 -11.694 1.00 43.34 C ATOM 1655 C LYS A2113 -3.119 -8.978 -11.762 1.00 10.32 C ATOM 1656 O LYS A2113 -2.387 -9.443 -10.891 1.00 4.44 O ATOM 1657 CB LYS A2113 -2.557 -6.529 -12.254 1.00 54.14 C ATOM 1658 CG LYS A2113 -3.063 -5.893 -13.550 1.00 60.41 C ATOM 1659 CD LYS A2113 -4.026 -4.739 -13.258 1.00 30.04 C ATOM 1660 CE LYS A2113 -4.211 -3.853 -14.490 1.00 31.32 C ATOM 1661 NZ LYS A2113 -5.261 -4.406 -15.374 1.00 13.41 N ATOM 0 H LYS A2113 -3.588 -6.268 -10.015 1.00 40.24 H new ATOM 0 HA LYS A2113 -4.459 -7.431 -12.331 1.00 43.34 H new ATOM 0 HB2 LYS A2113 -2.358 -5.751 -11.517 1.00 54.14 H new ATOM 0 HB3 LYS A2113 -1.613 -7.041 -12.440 1.00 54.14 H new ATOM 0 HG2 LYS A2113 -2.218 -5.527 -14.133 1.00 60.41 H new ATOM 0 HG3 LYS A2113 -3.566 -6.646 -14.156 1.00 60.41 H new ATOM 0 HD2 LYS A2113 -4.991 -5.137 -12.944 1.00 30.04 H new ATOM 0 HD3 LYS A2113 -3.643 -4.142 -12.431 1.00 30.04 H new ATOM 0 HE2 LYS A2113 -4.482 -2.843 -14.182 1.00 31.32 H new ATOM 0 HE3 LYS A2113 -3.270 -3.778 -15.036 1.00 31.32 H new ATOM 0 HZ1 LYS A2113 -5.374 -3.792 -16.206 1.00 13.41 H new ATOM 0 HZ2 LYS A2113 -4.987 -5.361 -15.683 1.00 13.41 H new ATOM 0 HZ3 LYS A2113 -6.161 -4.455 -14.855 1.00 13.41 H new ATOM 1674 N GLN A2114 -3.571 -9.659 -12.805 1.00 45.30 N ATOM 1675 CA GLN A2114 -3.217 -11.055 -12.998 1.00 0.51 C ATOM 1676 C GLN A2114 -2.183 -11.189 -14.118 1.00 23.24 C ATOM 1677 O GLN A2114 -1.328 -12.072 -14.075 1.00 23.11 O ATOM 1678 CB GLN A2114 -4.458 -11.899 -13.292 1.00 25.34 C ATOM 1679 CG GLN A2114 -4.465 -13.176 -12.447 1.00 13.23 C ATOM 1680 CD GLN A2114 -4.508 -14.421 -13.335 1.00 65.14 C ATOM 1681 OE1 GLN A2114 -4.399 -14.354 -14.549 1.00 2.15 O ATOM 1682 NE2 GLN A2114 -4.676 -15.558 -12.666 1.00 24.13 N ATOM 0 H GLN A2114 -4.179 -9.270 -13.525 1.00 45.30 H new ATOM 0 HA GLN A2114 -2.775 -11.430 -12.075 1.00 0.51 H new ATOM 0 HB2 GLN A2114 -5.356 -11.317 -13.085 1.00 25.34 H new ATOM 0 HB3 GLN A2114 -4.483 -12.159 -14.350 1.00 25.34 H new ATOM 0 HG2 GLN A2114 -3.576 -13.205 -11.817 1.00 13.23 H new ATOM 0 HG3 GLN A2114 -5.327 -13.170 -11.780 1.00 13.23 H new ATOM 0 HE21 GLN A2114 -4.760 -15.544 -11.650 1.00 24.13 H new ATOM 0 HE22 GLN A2114 -4.720 -16.444 -13.169 1.00 24.13 H new TER 1691 GLN A2114