USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2026 MET CE :methyl 148:sc= -7.7! (180deg=-8.15!) USER MOD Set 1.2: A2057 MET CE :methyl 175:sc= -3.77! (180deg=0) USER MOD Set 1.3: A2058 MET CE :methyl 156:sc= -20.6! (180deg=-15.4!) USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -2.97! C(o=-3!,f=-4.3!) USER MOD Single : A2028 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2035 SER OG : rot 47:sc= 0.654! USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.355 K(o=-0.36,f=-2.6!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -137:sc= -10.3! (180deg=-18.3!) USER MOD Single : A2055 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-1.4) USER MOD Single : A2063 GLN : amide:sc= 0.0305 X(o=0.03,f=0) USER MOD Single : A2064 THR OG1 : rot 180:sc=-0.00718! USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 71:sc= 0.84 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.1!) USER MOD Single : A2072 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A2074 TYR OH : rot 180:sc= -1.26 USER MOD Single : A2079 MET CE :methyl -152:sc= -0.627 (180deg=-2.35!) USER MOD Single : A2082 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A2085 CYS SG : rot 100:sc= -2.71! USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 30:sc= 0 USER MOD Single : A2089 MET CE :methyl -118:sc= -4.21! (180deg=-8.31!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.17) USER MOD Single : A2095 LYS NZ :NH3+ 159:sc= -0.0139 (180deg=-0.174) USER MOD Single : A2098 THR OG1 : rot 79:sc= 0.0331 USER MOD Single : A2099 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.2) 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= -0.274 X(o=-0.27,f=-0.025) USER MOD Single : A2112 SER OG : rot -69:sc= 0.98 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -10.790 -6.612 -14.908 1.00 1.30 N ATOM 2 CA MET A2014 -11.247 -7.149 -13.639 1.00 64.43 C ATOM 3 C MET A2014 -11.775 -8.575 -13.807 1.00 71.50 C ATOM 4 O MET A2014 -12.761 -8.798 -14.507 1.00 11.03 O ATOM 5 CB MET A2014 -12.355 -6.258 -13.074 1.00 45.54 C ATOM 6 CG MET A2014 -12.109 -5.946 -11.597 1.00 62.05 C ATOM 7 SD MET A2014 -13.658 -5.597 -10.781 1.00 41.52 S ATOM 8 CE MET A2014 -13.518 -3.827 -10.597 1.00 42.23 C ATOM 0 HA MET A2014 -10.402 -7.172 -12.951 1.00 64.43 H new ATOM 0 HB2 MET A2014 -12.404 -5.329 -13.642 1.00 45.54 H new ATOM 0 HB3 MET A2014 -13.319 -6.754 -13.189 1.00 45.54 H new ATOM 0 HG2 MET A2014 -11.617 -6.791 -11.115 1.00 62.05 H new ATOM 0 HG3 MET A2014 -11.439 -5.091 -11.504 1.00 62.05 H new ATOM 0 HE1 MET A2014 -14.409 -3.441 -10.101 1.00 42.23 H new ATOM 0 HE2 MET A2014 -12.639 -3.592 -9.998 1.00 42.23 H new ATOM 0 HE3 MET A2014 -13.421 -3.366 -11.580 1.00 42.23 H new ATOM 18 N GLU A2015 -11.096 -9.505 -13.150 1.00 2.43 N ATOM 19 CA GLU A2015 -11.483 -10.904 -13.218 1.00 54.20 C ATOM 20 C GLU A2015 -12.566 -11.204 -12.179 1.00 51.14 C ATOM 21 O GLU A2015 -13.166 -12.277 -12.196 1.00 22.11 O ATOM 22 CB GLU A2015 -10.273 -11.819 -13.028 1.00 34.41 C ATOM 23 CG GLU A2015 -9.878 -12.487 -14.348 1.00 72.12 C ATOM 24 CD GLU A2015 -9.293 -13.879 -14.103 1.00 41.54 C ATOM 25 OE1 GLU A2015 -8.270 -14.010 -13.416 1.00 3.52 O ATOM 26 OE2 GLU A2015 -9.944 -14.848 -14.655 1.00 51.44 O ATOM 0 H GLU A2015 -10.280 -9.316 -12.568 1.00 2.43 H new ATOM 0 HA GLU A2015 -11.891 -11.100 -14.209 1.00 54.20 H new ATOM 0 HB2 GLU A2015 -9.433 -11.241 -12.643 1.00 34.41 H new ATOM 0 HB3 GLU A2015 -10.503 -12.582 -12.284 1.00 34.41 H new ATOM 0 HG2 GLU A2015 -10.751 -12.564 -14.996 1.00 72.12 H new ATOM 0 HG3 GLU A2015 -9.148 -11.868 -14.869 1.00 72.12 H new ATOM 34 N LEU A2016 -12.781 -10.239 -11.299 1.00 71.04 N ATOM 35 CA LEU A2016 -13.782 -10.387 -10.254 1.00 22.30 C ATOM 36 C LEU A2016 -13.314 -11.446 -9.255 1.00 30.31 C ATOM 37 O LEU A2016 -12.213 -11.980 -9.379 1.00 32.43 O ATOM 38 CB LEU A2016 -15.154 -10.678 -10.864 1.00 25.42 C ATOM 39 CG LEU A2016 -16.164 -9.531 -10.821 1.00 72.34 C ATOM 40 CD1 LEU A2016 -16.350 -8.911 -12.207 1.00 51.33 C ATOM 41 CD2 LEU A2016 -17.491 -9.992 -10.217 1.00 63.34 C ATOM 0 H LEU A2016 -12.280 -9.351 -11.287 1.00 71.04 H new ATOM 0 HA LEU A2016 -13.898 -9.455 -9.700 1.00 22.30 H new ATOM 0 HB2 LEU A2016 -15.012 -10.972 -11.904 1.00 25.42 H new ATOM 0 HB3 LEU A2016 -15.585 -11.535 -10.347 1.00 25.42 H new ATOM 0 HG LEU A2016 -15.767 -8.751 -10.171 1.00 72.34 H new ATOM 0 HD11 LEU A2016 -17.073 -8.098 -12.148 1.00 51.33 H new ATOM 0 HD12 LEU A2016 -15.396 -8.523 -12.563 1.00 51.33 H new ATOM 0 HD13 LEU A2016 -16.714 -9.670 -12.899 1.00 51.33 H new ATOM 0 HD21 LEU A2016 -18.192 -9.157 -10.198 1.00 63.34 H new ATOM 0 HD22 LEU A2016 -17.905 -10.799 -10.821 1.00 63.34 H new ATOM 0 HD23 LEU A2016 -17.324 -10.348 -9.201 1.00 63.34 H new ATOM 53 N ILE A2017 -14.175 -11.720 -8.286 1.00 72.52 N ATOM 54 CA ILE A2017 -13.865 -12.706 -7.265 1.00 61.44 C ATOM 55 C ILE A2017 -12.614 -12.268 -6.500 1.00 61.52 C ATOM 56 O ILE A2017 -11.755 -11.582 -7.051 1.00 32.24 O ATOM 57 CB ILE A2017 -13.750 -14.101 -7.885 1.00 1.41 C ATOM 58 CG1 ILE A2017 -15.125 -14.759 -8.016 1.00 11.03 C ATOM 59 CG2 ILE A2017 -12.770 -14.971 -7.096 1.00 24.14 C ATOM 60 CD1 ILE A2017 -15.726 -15.049 -6.640 1.00 34.32 C ATOM 0 H ILE A2017 -15.088 -11.276 -8.186 1.00 72.52 H new ATOM 0 HA ILE A2017 -14.676 -12.770 -6.539 1.00 61.44 H new ATOM 0 HB ILE A2017 -13.348 -13.995 -8.893 1.00 1.41 H new ATOM 0 HG12 ILE A2017 -15.793 -14.106 -8.578 1.00 11.03 H new ATOM 0 HG13 ILE A2017 -15.036 -15.687 -8.581 1.00 11.03 H new ATOM 0 HG21 ILE A2017 -12.706 -15.957 -7.557 1.00 24.14 H new ATOM 0 HG22 ILE A2017 -11.785 -14.504 -7.100 1.00 24.14 H new ATOM 0 HG23 ILE A2017 -13.120 -15.073 -6.069 1.00 24.14 H new ATOM 0 HD11 ILE A2017 -16.703 -15.517 -6.761 1.00 34.32 H new ATOM 0 HD12 ILE A2017 -15.068 -15.721 -6.090 1.00 34.32 H new ATOM 0 HD13 ILE A2017 -15.836 -14.116 -6.087 1.00 34.32 H new ATOM 72 N ARG A2018 -12.553 -12.679 -5.243 1.00 64.44 N ATOM 73 CA ARG A2018 -11.423 -12.339 -4.397 1.00 1.30 C ATOM 74 C ARG A2018 -11.592 -12.956 -3.008 1.00 63.41 C ATOM 75 O ARG A2018 -12.641 -12.809 -2.383 1.00 33.52 O ATOM 76 CB ARG A2018 -11.277 -10.822 -4.259 1.00 62.23 C ATOM 77 CG ARG A2018 -10.100 -10.464 -3.349 1.00 52.23 C ATOM 78 CD ARG A2018 -8.849 -10.150 -4.168 1.00 10.34 C ATOM 79 NE ARG A2018 -8.484 -11.317 -5.001 1.00 12.12 N ATOM 80 CZ ARG A2018 -8.809 -11.449 -6.304 1.00 2.11 C ATOM 81 NH1 ARG A2018 -9.511 -10.485 -6.936 1.00 70.15 N ATOM 82 NH2 ARG A2018 -8.431 -12.535 -6.953 1.00 24.41 N ATOM 0 H ARG A2018 -13.269 -13.246 -4.789 1.00 64.44 H new ATOM 0 HA ARG A2018 -10.525 -12.739 -4.868 1.00 1.30 H new ATOM 0 HB2 ARG A2018 -11.129 -10.377 -5.243 1.00 62.23 H new ATOM 0 HB3 ARG A2018 -12.196 -10.400 -3.853 1.00 62.23 H new ATOM 0 HG2 ARG A2018 -10.361 -9.603 -2.733 1.00 52.23 H new ATOM 0 HG3 ARG A2018 -9.896 -11.292 -2.670 1.00 52.23 H new ATOM 0 HD2 ARG A2018 -9.028 -9.282 -4.802 1.00 10.34 H new ATOM 0 HD3 ARG A2018 -8.024 -9.895 -3.503 1.00 10.34 H new ATOM 0 HE ARG A2018 -7.953 -12.069 -4.563 1.00 12.12 H new ATOM 0 HH11 ARG A2018 -9.800 -9.649 -6.429 1.00 70.15 H new ATOM 0 HH12 ARG A2018 -9.753 -10.593 -7.921 1.00 70.15 H new ATOM 0 HH21 ARG A2018 -7.901 -13.260 -6.469 1.00 24.41 H new ATOM 0 HH22 ARG A2018 -8.669 -12.649 -7.938 1.00 24.41 H new ATOM 94 N VAL A2019 -10.543 -13.633 -2.565 1.00 65.12 N ATOM 95 CA VAL A2019 -10.563 -14.275 -1.262 1.00 52.00 C ATOM 96 C VAL A2019 -11.005 -13.260 -0.205 1.00 60.43 C ATOM 97 O VAL A2019 -10.554 -12.116 -0.211 1.00 62.30 O ATOM 98 CB VAL A2019 -9.196 -14.893 -0.961 1.00 73.24 C ATOM 99 CG1 VAL A2019 -9.098 -15.319 0.506 1.00 20.32 C ATOM 100 CG2 VAL A2019 -8.909 -16.069 -1.896 1.00 21.02 C ATOM 0 H VAL A2019 -9.674 -13.751 -3.085 1.00 65.12 H new ATOM 0 HA VAL A2019 -11.284 -15.092 -1.251 1.00 52.00 H new ATOM 0 HB VAL A2019 -8.436 -14.132 -1.139 1.00 73.24 H new ATOM 0 HG11 VAL A2019 -8.117 -15.755 0.693 1.00 20.32 H new ATOM 0 HG12 VAL A2019 -9.237 -14.449 1.148 1.00 20.32 H new ATOM 0 HG13 VAL A2019 -9.870 -16.057 0.723 1.00 20.32 H new ATOM 0 HG21 VAL A2019 -7.932 -16.490 -1.661 1.00 21.02 H new ATOM 0 HG22 VAL A2019 -9.675 -16.834 -1.765 1.00 21.02 H new ATOM 0 HG23 VAL A2019 -8.916 -15.722 -2.929 1.00 21.02 H new ATOM 110 N PRO A2020 -11.907 -13.728 0.699 1.00 61.42 N ATOM 111 CA PRO A2020 -12.416 -12.874 1.757 1.00 74.24 C ATOM 112 C PRO A2020 -11.367 -12.675 2.855 1.00 30.24 C ATOM 113 O PRO A2020 -11.138 -11.554 3.304 1.00 24.54 O ATOM 114 CB PRO A2020 -13.672 -13.570 2.257 1.00 13.35 C ATOM 115 CG PRO A2020 -13.566 -15.010 1.783 1.00 63.10 C ATOM 116 CD PRO A2020 -12.465 -15.077 0.737 1.00 52.55 C ATOM 0 HA PRO A2020 -12.646 -11.867 1.409 1.00 74.24 H new ATOM 0 HB2 PRO A2020 -13.740 -13.520 3.344 1.00 13.35 H new ATOM 0 HB3 PRO A2020 -14.568 -13.093 1.860 1.00 13.35 H new ATOM 0 HG2 PRO A2020 -13.339 -15.671 2.619 1.00 63.10 H new ATOM 0 HG3 PRO A2020 -14.514 -15.344 1.361 1.00 63.10 H new ATOM 0 HD2 PRO A2020 -11.707 -15.812 1.007 1.00 52.55 H new ATOM 0 HD3 PRO A2020 -12.860 -15.370 -0.236 1.00 52.55 H new ATOM 124 N ILE A2021 -10.758 -13.782 3.253 1.00 61.40 N ATOM 125 CA ILE A2021 -9.739 -13.746 4.288 1.00 72.31 C ATOM 126 C ILE A2021 -8.360 -13.912 3.645 1.00 54.44 C ATOM 127 O ILE A2021 -7.922 -15.030 3.385 1.00 5.32 O ATOM 128 CB ILE A2021 -10.039 -14.781 5.373 1.00 64.15 C ATOM 129 CG1 ILE A2021 -9.964 -16.203 4.811 1.00 53.24 C ATOM 130 CG2 ILE A2021 -11.386 -14.499 6.042 1.00 5.11 C ATOM 131 CD1 ILE A2021 -8.736 -16.939 5.348 1.00 23.41 C ATOM 0 H ILE A2021 -10.951 -14.710 2.877 1.00 61.40 H new ATOM 0 HA ILE A2021 -9.743 -12.780 4.792 1.00 72.31 H new ATOM 0 HB ILE A2021 -9.273 -14.699 6.144 1.00 64.15 H new ATOM 0 HG12 ILE A2021 -10.867 -16.752 5.078 1.00 53.24 H new ATOM 0 HG13 ILE A2021 -9.923 -16.166 3.722 1.00 53.24 H new ATOM 0 HG21 ILE A2021 -11.575 -15.249 6.810 1.00 5.11 H new ATOM 0 HG22 ILE A2021 -11.365 -13.510 6.499 1.00 5.11 H new ATOM 0 HG23 ILE A2021 -12.178 -14.537 5.295 1.00 5.11 H new ATOM 0 HD11 ILE A2021 -8.706 -17.947 4.934 1.00 23.41 H new ATOM 0 HD12 ILE A2021 -7.834 -16.400 5.059 1.00 23.41 H new ATOM 0 HD13 ILE A2021 -8.792 -16.995 6.435 1.00 23.41 H new ATOM 143 N LEU A2022 -7.713 -12.779 3.410 1.00 11.10 N ATOM 144 CA LEU A2022 -6.392 -12.785 2.802 1.00 40.44 C ATOM 145 C LEU A2022 -5.766 -11.396 2.943 1.00 41.53 C ATOM 146 O LEU A2022 -6.391 -10.480 3.475 1.00 52.22 O ATOM 147 CB LEU A2022 -6.469 -13.282 1.357 1.00 74.11 C ATOM 148 CG LEU A2022 -5.404 -14.299 0.942 1.00 70.53 C ATOM 149 CD1 LEU A2022 -5.545 -15.597 1.738 1.00 61.42 C ATOM 150 CD2 LEU A2022 -5.443 -14.547 -0.567 1.00 12.13 C ATOM 0 H LEU A2022 -8.078 -11.852 3.629 1.00 11.10 H new ATOM 0 HA LEU A2022 -5.737 -13.485 3.320 1.00 40.44 H new ATOM 0 HB2 LEU A2022 -7.451 -13.728 1.199 1.00 74.11 H new ATOM 0 HB3 LEU A2022 -6.399 -12.421 0.693 1.00 74.11 H new ATOM 0 HG LEU A2022 -4.424 -13.882 1.176 1.00 70.53 H new ATOM 0 HD11 LEU A2022 -4.776 -16.302 1.423 1.00 61.42 H new ATOM 0 HD12 LEU A2022 -5.431 -15.386 2.801 1.00 61.42 H new ATOM 0 HD13 LEU A2022 -6.529 -16.029 1.558 1.00 61.42 H new ATOM 0 HD21 LEU A2022 -4.676 -15.274 -0.836 1.00 12.13 H new ATOM 0 HD22 LEU A2022 -6.423 -14.933 -0.847 1.00 12.13 H new ATOM 0 HD23 LEU A2022 -5.257 -13.611 -1.094 1.00 12.13 H new ATOM 162 N TRP A2023 -4.539 -11.283 2.455 1.00 22.54 N ATOM 163 CA TRP A2023 -3.821 -10.021 2.519 1.00 20.33 C ATOM 164 C TRP A2023 -4.432 -9.077 1.484 1.00 11.52 C ATOM 165 O TRP A2023 -4.787 -7.944 1.806 1.00 63.04 O ATOM 166 CB TRP A2023 -2.318 -10.235 2.323 1.00 42.31 C ATOM 167 CG TRP A2023 -1.541 -10.428 3.626 1.00 74.22 C ATOM 168 CD1 TRP A2023 -2.022 -10.751 4.834 1.00 34.22 C ATOM 169 CD2 TRP A2023 -0.115 -10.296 3.804 1.00 24.12 C ATOM 170 NE1 TRP A2023 -1.015 -10.837 5.773 1.00 51.13 N ATOM 171 CE2 TRP A2023 0.181 -10.552 5.126 1.00 55.00 C ATOM 172 CE3 TRP A2023 0.892 -9.971 2.877 1.00 45.50 C ATOM 173 CZ2 TRP A2023 1.482 -10.508 5.643 1.00 32.21 C ATOM 174 CZ3 TRP A2023 2.186 -9.933 3.408 1.00 44.53 C ATOM 175 CH2 TRP A2023 2.501 -10.188 4.738 1.00 53.23 C ATOM 0 H TRP A2023 -4.024 -12.045 2.014 1.00 22.54 H new ATOM 0 HA TRP A2023 -3.923 -9.568 3.505 1.00 20.33 H new ATOM 0 HB2 TRP A2023 -2.166 -11.108 1.689 1.00 42.31 H new ATOM 0 HB3 TRP A2023 -1.906 -9.378 1.790 1.00 42.31 H new ATOM 0 HD1 TRP A2023 -3.067 -10.923 5.046 1.00 34.22 H new ATOM 0 HE1 TRP A2023 -1.128 -11.067 6.760 1.00 51.13 H new ATOM 0 HE3 TRP A2023 0.683 -9.767 1.837 1.00 45.50 H new ATOM 0 HZ2 TRP A2023 1.688 -10.710 6.684 1.00 32.21 H new ATOM 0 HZ3 TRP A2023 2.997 -9.688 2.738 1.00 44.53 H new ATOM 0 HH2 TRP A2023 3.527 -10.139 5.071 1.00 53.23 H new ATOM 186 N HIS A2024 -4.535 -9.577 0.261 1.00 32.33 N ATOM 187 CA HIS A2024 -5.098 -8.792 -0.824 1.00 1.53 C ATOM 188 C HIS A2024 -6.404 -8.140 -0.365 1.00 32.25 C ATOM 189 O HIS A2024 -6.836 -7.139 -0.932 1.00 12.40 O ATOM 190 CB HIS A2024 -5.272 -9.648 -2.081 1.00 12.02 C ATOM 191 CG HIS A2024 -4.192 -10.687 -2.270 1.00 42.53 C ATOM 192 ND1 HIS A2024 -4.464 -12.039 -2.376 1.00 43.40 N ATOM 193 CD2 HIS A2024 -2.837 -10.557 -2.372 1.00 63.30 C ATOM 194 CE1 HIS A2024 -3.319 -12.685 -2.535 1.00 34.35 C ATOM 195 NE2 HIS A2024 -2.313 -11.765 -2.532 1.00 75.23 N ATOM 0 H HIS A2024 -4.238 -10.517 -0.002 1.00 32.33 H new ATOM 0 HA HIS A2024 -4.409 -7.991 -1.092 1.00 1.53 H new ATOM 0 HB2 HIS A2024 -6.239 -10.148 -2.037 1.00 12.02 H new ATOM 0 HB3 HIS A2024 -5.290 -8.995 -2.953 1.00 12.02 H new ATOM 0 HD2 HIS A2024 -2.286 -9.629 -2.330 1.00 63.30 H new ATOM 0 HE1 HIS A2024 -3.203 -13.753 -2.647 1.00 34.35 H new ATOM 0 HE2 HIS A2024 -1.320 -11.972 -2.636 1.00 75.23 H new ATOM 204 N GLU A2025 -6.996 -8.737 0.660 1.00 53.20 N ATOM 205 CA GLU A2025 -8.243 -8.228 1.204 1.00 30.00 C ATOM 206 C GLU A2025 -7.994 -6.938 1.987 1.00 21.43 C ATOM 207 O GLU A2025 -8.823 -6.030 1.975 1.00 74.10 O ATOM 208 CB GLU A2025 -8.928 -9.279 2.079 1.00 4.42 C ATOM 209 CG GLU A2025 -10.301 -8.789 2.549 1.00 61.52 C ATOM 210 CD GLU A2025 -11.303 -8.768 1.391 1.00 35.54 C ATOM 211 OE1 GLU A2025 -11.881 -9.812 1.054 1.00 30.43 O ATOM 212 OE2 GLU A2025 -11.470 -7.617 0.837 1.00 2.35 O ATOM 0 H GLU A2025 -6.635 -9.568 1.128 1.00 53.20 H new ATOM 0 HA GLU A2025 -8.913 -8.001 0.375 1.00 30.00 H new ATOM 0 HB2 GLU A2025 -9.041 -10.207 1.518 1.00 4.42 H new ATOM 0 HB3 GLU A2025 -8.302 -9.503 2.943 1.00 4.42 H new ATOM 0 HG2 GLU A2025 -10.671 -9.438 3.343 1.00 61.52 H new ATOM 0 HG3 GLU A2025 -10.209 -7.789 2.973 1.00 61.52 H new ATOM 220 N MET A2026 -6.848 -6.899 2.651 1.00 21.32 N ATOM 221 CA MET A2026 -6.479 -5.736 3.439 1.00 52.01 C ATOM 222 C MET A2026 -6.032 -4.583 2.540 1.00 44.32 C ATOM 223 O MET A2026 -6.236 -3.415 2.871 1.00 31.43 O ATOM 224 CB MET A2026 -5.344 -6.107 4.397 1.00 1.41 C ATOM 225 CG MET A2026 -3.984 -5.992 3.705 1.00 21.44 C ATOM 226 SD MET A2026 -3.327 -4.345 3.919 1.00 1.13 S ATOM 227 CE MET A2026 -1.581 -4.713 3.970 1.00 31.32 C ATOM 0 H MET A2026 -6.163 -7.655 2.659 1.00 21.32 H new ATOM 0 HA MET A2026 -7.353 -5.412 4.005 1.00 52.01 H new ATOM 0 HB2 MET A2026 -5.370 -5.452 5.268 1.00 1.41 H new ATOM 0 HB3 MET A2026 -5.487 -7.125 4.759 1.00 1.41 H new ATOM 0 HG2 MET A2026 -3.292 -6.725 4.120 1.00 21.44 H new ATOM 0 HG3 MET A2026 -4.087 -6.216 2.643 1.00 21.44 H new ATOM 0 HE1 MET A2026 -1.021 -3.882 3.541 1.00 31.32 H new ATOM 0 HE2 MET A2026 -1.271 -4.864 5.004 1.00 31.32 H new ATOM 0 HE3 MET A2026 -1.383 -5.618 3.396 1.00 31.32 H new ATOM 237 N TRP A2027 -5.430 -4.949 1.418 1.00 21.03 N ATOM 238 CA TRP A2027 -4.952 -3.961 0.467 1.00 74.40 C ATOM 239 C TRP A2027 -6.168 -3.350 -0.232 1.00 4.33 C ATOM 240 O TRP A2027 -6.293 -2.128 -0.316 1.00 41.33 O ATOM 241 CB TRP A2027 -3.947 -4.577 -0.509 1.00 11.32 C ATOM 242 CG TRP A2027 -2.639 -5.025 0.144 1.00 30.22 C ATOM 243 CD1 TRP A2027 -2.414 -6.133 0.863 1.00 13.03 C ATOM 244 CD2 TRP A2027 -1.378 -4.326 0.108 1.00 11.41 C ATOM 245 NE1 TRP A2027 -1.103 -6.199 1.292 1.00 14.00 N ATOM 246 CE2 TRP A2027 -0.452 -5.065 0.819 1.00 51.23 C ATOM 247 CE3 TRP A2027 -1.027 -3.108 -0.503 1.00 44.24 C ATOM 248 CZ2 TRP A2027 0.880 -4.669 0.983 1.00 63.35 C ATOM 249 CZ3 TRP A2027 0.307 -2.728 -0.328 1.00 34.10 C ATOM 250 CH2 TRP A2027 1.250 -3.460 0.384 1.00 23.25 C ATOM 0 H TRP A2027 -5.262 -5.918 1.146 1.00 21.03 H new ATOM 0 HA TRP A2027 -4.409 -3.166 0.978 1.00 74.40 H new ATOM 0 HB2 TRP A2027 -4.410 -5.435 -0.997 1.00 11.32 H new ATOM 0 HB3 TRP A2027 -3.721 -3.850 -1.289 1.00 11.32 H new ATOM 0 HD1 TRP A2027 -3.163 -6.880 1.080 1.00 13.03 H new ATOM 0 HE1 TRP A2027 -0.688 -6.943 1.853 1.00 14.00 H new ATOM 0 HE3 TRP A2027 -1.733 -2.513 -1.063 1.00 44.24 H new ATOM 0 HZ2 TRP A2027 1.585 -5.265 1.543 1.00 63.35 H new ATOM 0 HZ3 TRP A2027 0.628 -1.800 -0.778 1.00 34.10 H new ATOM 0 HH2 TRP A2027 2.263 -3.097 0.474 1.00 23.25 H new ATOM 261 N HIS A2028 -7.033 -4.227 -0.717 1.00 60.11 N ATOM 262 CA HIS A2028 -8.236 -3.790 -1.405 1.00 43.23 C ATOM 263 C HIS A2028 -9.040 -2.861 -0.496 1.00 33.21 C ATOM 264 O HIS A2028 -9.307 -1.714 -0.852 1.00 70.11 O ATOM 265 CB HIS A2028 -9.050 -4.991 -1.893 1.00 14.22 C ATOM 266 CG HIS A2028 -9.024 -5.182 -3.393 1.00 60.24 C ATOM 267 ND1 HIS A2028 -9.710 -4.354 -4.265 1.00 31.34 N ATOM 268 CD2 HIS A2028 -8.388 -6.111 -4.161 1.00 42.03 C ATOM 269 CE1 HIS A2028 -9.491 -4.777 -5.500 1.00 12.53 C ATOM 270 NE2 HIS A2028 -8.672 -5.867 -5.435 1.00 33.53 N ATOM 0 H HIS A2028 -6.925 -5.239 -0.647 1.00 60.11 H new ATOM 0 HA HIS A2028 -7.963 -3.223 -2.295 1.00 43.23 H new ATOM 0 HB2 HIS A2028 -8.669 -5.894 -1.415 1.00 14.22 H new ATOM 0 HB3 HIS A2028 -10.084 -4.872 -1.570 1.00 14.22 H new ATOM 0 HD2 HIS A2028 -7.760 -6.910 -3.796 1.00 42.03 H new ATOM 0 HE1 HIS A2028 -9.891 -4.337 -6.402 1.00 12.53 H new ATOM 0 HE2 HIS A2028 -8.334 -6.405 -6.233 1.00 33.53 H new ATOM 279 N GLU A2029 -9.407 -3.391 0.664 1.00 54.20 N ATOM 280 CA GLU A2029 -10.174 -2.622 1.627 1.00 74.21 C ATOM 281 C GLU A2029 -9.322 -1.491 2.207 1.00 21.44 C ATOM 282 O GLU A2029 -9.830 -0.408 2.491 1.00 45.30 O ATOM 283 CB GLU A2029 -10.718 -3.523 2.738 1.00 34.50 C ATOM 284 CG GLU A2029 -9.581 -4.079 3.599 1.00 63.42 C ATOM 285 CD GLU A2029 -9.426 -3.271 4.889 1.00 35.23 C ATOM 286 OE1 GLU A2029 -10.430 -2.868 5.494 1.00 43.14 O ATOM 287 OE2 GLU A2029 -8.206 -3.065 5.260 1.00 45.25 O ATOM 0 H GLU A2029 -9.187 -4.343 0.956 1.00 54.20 H new ATOM 0 HA GLU A2029 -11.026 -2.179 1.111 1.00 74.21 H new ATOM 0 HB2 GLU A2029 -11.410 -2.958 3.363 1.00 34.50 H new ATOM 0 HB3 GLU A2029 -11.283 -4.346 2.300 1.00 34.50 H new ATOM 0 HG2 GLU A2029 -9.780 -5.123 3.841 1.00 63.42 H new ATOM 0 HG3 GLU A2029 -8.648 -4.055 3.036 1.00 63.42 H new ATOM 295 N GLY A2030 -8.039 -1.784 2.368 1.00 11.44 N ATOM 296 CA GLY A2030 -7.110 -0.805 2.906 1.00 34.41 C ATOM 297 C GLY A2030 -7.093 0.464 2.055 1.00 44.13 C ATOM 298 O GLY A2030 -7.477 1.536 2.522 1.00 11.22 O ATOM 0 H GLY A2030 -7.622 -2.685 2.135 1.00 11.44 H new ATOM 0 HA2 GLY A2030 -7.391 -0.556 3.929 1.00 34.41 H new ATOM 0 HA3 GLY A2030 -6.108 -1.233 2.946 1.00 34.41 H new ATOM 302 N LEU A2031 -6.645 0.303 0.818 1.00 53.44 N ATOM 303 CA LEU A2031 -6.573 1.423 -0.105 1.00 65.14 C ATOM 304 C LEU A2031 -7.974 2.006 -0.303 1.00 71.33 C ATOM 305 O LEU A2031 -8.127 3.209 -0.506 1.00 15.15 O ATOM 306 CB LEU A2031 -5.893 0.999 -1.409 1.00 53.32 C ATOM 307 CG LEU A2031 -4.880 1.990 -1.986 1.00 5.54 C ATOM 308 CD1 LEU A2031 -3.980 2.558 -0.889 1.00 45.51 C ATOM 309 CD2 LEU A2031 -4.071 1.348 -3.117 1.00 52.52 C ATOM 0 H LEU A2031 -6.328 -0.587 0.433 1.00 53.44 H new ATOM 0 HA LEU A2031 -5.952 2.218 0.308 1.00 65.14 H new ATOM 0 HB2 LEU A2031 -5.387 0.048 -1.240 1.00 53.32 H new ATOM 0 HB3 LEU A2031 -6.665 0.821 -2.158 1.00 53.32 H new ATOM 0 HG LEU A2031 -5.429 2.828 -2.416 1.00 5.54 H new ATOM 0 HD11 LEU A2031 -3.270 3.259 -1.328 1.00 45.51 H new ATOM 0 HD12 LEU A2031 -4.591 3.075 -0.149 1.00 45.51 H new ATOM 0 HD13 LEU A2031 -3.437 1.745 -0.407 1.00 45.51 H new ATOM 0 HD21 LEU A2031 -3.358 2.072 -3.511 1.00 52.52 H new ATOM 0 HD22 LEU A2031 -3.533 0.481 -2.733 1.00 52.52 H new ATOM 0 HD23 LEU A2031 -4.745 1.033 -3.913 1.00 52.52 H new ATOM 321 N GLU A2032 -8.962 1.125 -0.237 1.00 72.01 N ATOM 322 CA GLU A2032 -10.345 1.537 -0.407 1.00 2.12 C ATOM 323 C GLU A2032 -10.680 2.679 0.553 1.00 55.32 C ATOM 324 O GLU A2032 -11.244 3.693 0.144 1.00 42.42 O ATOM 325 CB GLU A2032 -11.296 0.356 -0.208 1.00 63.23 C ATOM 326 CG GLU A2032 -11.676 -0.276 -1.549 1.00 53.04 C ATOM 327 CD GLU A2032 -12.641 0.623 -2.324 1.00 44.11 C ATOM 328 OE1 GLU A2032 -12.349 1.008 -3.466 1.00 12.53 O ATOM 329 OE2 GLU A2032 -13.730 0.921 -1.700 1.00 74.03 O ATOM 0 H GLU A2032 -8.832 0.128 -0.068 1.00 72.01 H new ATOM 0 HA GLU A2032 -10.474 1.897 -1.428 1.00 2.12 H new ATOM 0 HB2 GLU A2032 -10.824 -0.392 0.429 1.00 63.23 H new ATOM 0 HB3 GLU A2032 -12.196 0.692 0.307 1.00 63.23 H new ATOM 0 HG2 GLU A2032 -10.778 -0.448 -2.142 1.00 53.04 H new ATOM 0 HG3 GLU A2032 -12.137 -1.249 -1.379 1.00 53.04 H new ATOM 337 N GLU A2033 -10.316 2.478 1.811 1.00 72.13 N ATOM 338 CA GLU A2033 -10.572 3.480 2.834 1.00 25.54 C ATOM 339 C GLU A2033 -9.598 4.651 2.682 1.00 44.20 C ATOM 340 O GLU A2033 -10.015 5.808 2.659 1.00 33.34 O ATOM 341 CB GLU A2033 -10.482 2.868 4.234 1.00 52.24 C ATOM 342 CG GLU A2033 -11.370 3.629 5.221 1.00 3.53 C ATOM 343 CD GLU A2033 -11.808 2.723 6.373 1.00 43.54 C ATOM 344 OE1 GLU A2033 -11.175 2.729 7.440 1.00 73.45 O ATOM 345 OE2 GLU A2033 -12.846 1.997 6.132 1.00 23.12 O ATOM 0 H GLU A2033 -9.846 1.637 2.146 1.00 72.13 H new ATOM 0 HA GLU A2033 -11.586 3.857 2.703 1.00 25.54 H new ATOM 0 HB2 GLU A2033 -10.785 1.822 4.198 1.00 52.24 H new ATOM 0 HB3 GLU A2033 -9.448 2.889 4.578 1.00 52.24 H new ATOM 0 HG2 GLU A2033 -10.828 4.489 5.615 1.00 3.53 H new ATOM 0 HG3 GLU A2033 -12.248 4.015 4.703 1.00 3.53 H new ATOM 353 N ALA A2034 -8.322 4.310 2.585 1.00 22.14 N ATOM 354 CA ALA A2034 -7.287 5.319 2.437 1.00 22.34 C ATOM 355 C ALA A2034 -7.655 6.255 1.284 1.00 52.01 C ATOM 356 O ALA A2034 -7.456 7.466 1.375 1.00 32.22 O ATOM 357 CB ALA A2034 -5.935 4.635 2.224 1.00 52.13 C ATOM 0 H ALA A2034 -7.981 3.349 2.606 1.00 22.14 H new ATOM 0 HA ALA A2034 -7.208 5.924 3.340 1.00 22.34 H new ATOM 0 HB1 ALA A2034 -5.158 5.391 2.113 1.00 52.13 H new ATOM 0 HB2 ALA A2034 -5.707 4.004 3.083 1.00 52.13 H new ATOM 0 HB3 ALA A2034 -5.975 4.021 1.324 1.00 52.13 H new ATOM 363 N SER A2035 -8.185 5.659 0.226 1.00 32.20 N ATOM 364 CA SER A2035 -8.583 6.426 -0.944 1.00 10.14 C ATOM 365 C SER A2035 -9.906 7.142 -0.674 1.00 41.10 C ATOM 366 O SER A2035 -10.027 8.343 -0.915 1.00 43.40 O ATOM 367 CB SER A2035 -8.707 5.526 -2.175 1.00 34.14 C ATOM 368 OG SER A2035 -9.547 6.100 -3.173 1.00 31.31 O ATOM 0 H SER A2035 -8.348 4.655 0.154 1.00 32.20 H new ATOM 0 HA SER A2035 -7.811 7.168 -1.146 1.00 10.14 H new ATOM 0 HB2 SER A2035 -7.717 5.346 -2.594 1.00 34.14 H new ATOM 0 HB3 SER A2035 -9.108 4.557 -1.877 1.00 34.14 H new ATOM 0 HG SER A2035 -9.301 7.039 -3.307 1.00 31.31 H new ATOM 374 N ARG A2036 -10.867 6.376 -0.177 1.00 60.11 N ATOM 375 CA ARG A2036 -12.178 6.925 0.127 1.00 74.45 C ATOM 376 C ARG A2036 -12.041 8.198 0.963 1.00 11.44 C ATOM 377 O ARG A2036 -12.684 9.206 0.677 1.00 60.03 O ATOM 378 CB ARG A2036 -13.035 5.912 0.890 1.00 20.01 C ATOM 379 CG ARG A2036 -14.077 5.271 -0.029 1.00 33.03 C ATOM 380 CD ARG A2036 -15.132 4.515 0.781 1.00 55.34 C ATOM 381 NE ARG A2036 -16.487 4.867 0.300 1.00 11.22 N ATOM 382 CZ ARG A2036 -17.581 4.100 0.492 1.00 1.03 C ATOM 383 NH1 ARG A2036 -17.489 2.930 1.160 1.00 4.23 N ATOM 384 NH2 ARG A2036 -18.743 4.511 0.017 1.00 73.44 N ATOM 0 H ARG A2036 -10.764 5.381 0.022 1.00 60.11 H new ATOM 0 HA ARG A2036 -12.666 7.159 -0.819 1.00 74.45 H new ATOM 0 HB2 ARG A2036 -12.396 5.138 1.316 1.00 20.01 H new ATOM 0 HB3 ARG A2036 -13.535 6.407 1.722 1.00 20.01 H new ATOM 0 HG2 ARG A2036 -14.559 6.041 -0.631 1.00 33.03 H new ATOM 0 HG3 ARG A2036 -13.585 4.587 -0.721 1.00 33.03 H new ATOM 0 HD2 ARG A2036 -14.972 3.441 0.689 1.00 55.34 H new ATOM 0 HD3 ARG A2036 -15.037 4.762 1.838 1.00 55.34 H new ATOM 0 HE ARG A2036 -16.601 5.744 -0.208 1.00 11.22 H new ATOM 0 HH11 ARG A2036 -16.588 2.620 1.524 1.00 4.23 H new ATOM 0 HH12 ARG A2036 -18.321 2.356 1.301 1.00 4.23 H new ATOM 0 HH21 ARG A2036 -18.804 5.396 -0.486 1.00 73.44 H new ATOM 0 HH22 ARG A2036 -19.579 3.943 0.153 1.00 73.44 H new ATOM 396 N LEU A2037 -11.197 8.111 1.981 1.00 31.33 N ATOM 397 CA LEU A2037 -10.966 9.245 2.862 1.00 34.31 C ATOM 398 C LEU A2037 -10.181 10.318 2.107 1.00 35.22 C ATOM 399 O LEU A2037 -10.521 11.499 2.165 1.00 63.33 O ATOM 400 CB LEU A2037 -10.296 8.787 4.160 1.00 4.42 C ATOM 401 CG LEU A2037 -8.909 8.157 4.011 1.00 51.43 C ATOM 402 CD1 LEU A2037 -7.814 9.224 4.078 1.00 32.21 C ATOM 403 CD2 LEU A2037 -8.697 7.052 5.048 1.00 51.50 C ATOM 0 H LEU A2037 -10.665 7.273 2.216 1.00 31.33 H new ATOM 0 HA LEU A2037 -11.912 9.695 3.162 1.00 34.31 H new ATOM 0 HB2 LEU A2037 -10.214 9.646 4.826 1.00 4.42 H new ATOM 0 HB3 LEU A2037 -10.951 8.066 4.649 1.00 4.42 H new ATOM 0 HG LEU A2037 -8.846 7.692 3.027 1.00 51.43 H new ATOM 0 HD11 LEU A2037 -6.838 8.751 3.970 1.00 32.21 H new ATOM 0 HD12 LEU A2037 -7.959 9.945 3.274 1.00 32.21 H new ATOM 0 HD13 LEU A2037 -7.864 9.737 5.039 1.00 32.21 H new ATOM 0 HD21 LEU A2037 -7.704 6.620 4.922 1.00 51.50 H new ATOM 0 HD22 LEU A2037 -8.785 7.472 6.050 1.00 51.50 H new ATOM 0 HD23 LEU A2037 -9.450 6.276 4.912 1.00 51.50 H new ATOM 415 N TYR A2038 -9.141 9.871 1.417 1.00 21.31 N ATOM 416 CA TYR A2038 -8.303 10.778 0.653 1.00 71.11 C ATOM 417 C TYR A2038 -9.143 11.632 -0.298 1.00 3.20 C ATOM 418 O TYR A2038 -8.966 12.845 -0.372 1.00 74.32 O ATOM 419 CB TYR A2038 -7.362 9.894 -0.169 1.00 72.52 C ATOM 420 CG TYR A2038 -6.650 10.630 -1.304 1.00 32.20 C ATOM 421 CD1 TYR A2038 -5.535 11.399 -1.035 1.00 14.15 C ATOM 422 CD2 TYR A2038 -7.121 10.529 -2.598 1.00 31.43 C ATOM 423 CE1 TYR A2038 -4.864 12.091 -2.103 1.00 11.42 C ATOM 424 CE2 TYR A2038 -6.449 11.222 -3.665 1.00 63.41 C ATOM 425 CZ TYR A2038 -5.354 11.969 -3.366 1.00 3.34 C ATOM 426 OH TYR A2038 -4.719 12.623 -4.375 1.00 40.44 O ATOM 0 H TYR A2038 -8.860 8.891 1.372 1.00 21.31 H new ATOM 0 HA TYR A2038 -7.766 11.454 1.318 1.00 71.11 H new ATOM 0 HB2 TYR A2038 -6.614 9.461 0.495 1.00 72.52 H new ATOM 0 HB3 TYR A2038 -7.933 9.066 -0.589 1.00 72.52 H new ATOM 0 HD1 TYR A2038 -5.167 11.481 -0.023 1.00 14.15 H new ATOM 0 HD2 TYR A2038 -7.994 9.930 -2.809 1.00 31.43 H new ATOM 0 HE1 TYR A2038 -3.990 12.694 -1.906 1.00 11.42 H new ATOM 0 HE2 TYR A2038 -6.807 11.150 -4.681 1.00 63.41 H new ATOM 0 HH TYR A2038 -5.179 12.444 -5.222 1.00 40.44 H new ATOM 436 N PHE A2039 -10.045 10.962 -1.004 1.00 22.35 N ATOM 437 CA PHE A2039 -10.912 11.642 -1.948 1.00 44.24 C ATOM 438 C PHE A2039 -12.044 12.375 -1.223 1.00 22.42 C ATOM 439 O PHE A2039 -12.330 13.533 -1.521 1.00 73.20 O ATOM 440 CB PHE A2039 -11.516 10.568 -2.854 1.00 3.04 C ATOM 441 CG PHE A2039 -10.564 10.064 -3.940 1.00 24.13 C ATOM 442 CD1 PHE A2039 -10.200 10.885 -4.963 1.00 61.32 C ATOM 443 CD2 PHE A2039 -10.080 8.793 -3.884 1.00 14.34 C ATOM 444 CE1 PHE A2039 -9.318 10.417 -5.970 1.00 3.52 C ATOM 445 CE2 PHE A2039 -9.195 8.327 -4.892 1.00 21.33 C ATOM 446 CZ PHE A2039 -8.833 9.146 -5.913 1.00 52.42 C ATOM 0 H PHE A2039 -10.192 9.955 -0.939 1.00 22.35 H new ATOM 0 HA PHE A2039 -10.341 12.378 -2.514 1.00 44.24 H new ATOM 0 HB2 PHE A2039 -11.830 9.724 -2.240 1.00 3.04 H new ATOM 0 HB3 PHE A2039 -12.412 10.969 -3.328 1.00 3.04 H new ATOM 0 HD1 PHE A2039 -10.583 11.894 -5.008 1.00 61.32 H new ATOM 0 HD2 PHE A2039 -10.369 8.140 -3.074 1.00 14.34 H new ATOM 0 HE1 PHE A2039 -9.031 11.069 -6.782 1.00 3.52 H new ATOM 0 HE2 PHE A2039 -8.809 7.319 -4.847 1.00 21.33 H new ATOM 0 HZ PHE A2039 -8.161 8.789 -6.679 1.00 52.42 H new ATOM 456 N GLY A2040 -12.657 11.667 -0.285 1.00 14.13 N ATOM 457 CA GLY A2040 -13.750 12.234 0.485 1.00 41.44 C ATOM 458 C GLY A2040 -13.223 13.065 1.658 1.00 20.20 C ATOM 459 O GLY A2040 -13.284 14.293 1.631 1.00 61.43 O ATOM 0 H GLY A2040 -12.417 10.706 -0.041 1.00 14.13 H new ATOM 0 HA2 GLY A2040 -14.367 12.859 -0.160 1.00 41.44 H new ATOM 0 HA3 GLY A2040 -14.389 11.434 0.860 1.00 41.44 H new ATOM 463 N GLU A2041 -12.715 12.361 2.660 1.00 24.11 N ATOM 464 CA GLU A2041 -12.176 13.018 3.838 1.00 65.44 C ATOM 465 C GLU A2041 -11.232 14.150 3.431 1.00 4.25 C ATOM 466 O GLU A2041 -11.042 15.104 4.182 1.00 44.33 O ATOM 467 CB GLU A2041 -11.467 12.013 4.748 1.00 24.31 C ATOM 468 CG GLU A2041 -11.218 12.611 6.135 1.00 24.34 C ATOM 469 CD GLU A2041 -12.411 12.365 7.060 1.00 13.10 C ATOM 470 OE1 GLU A2041 -13.543 12.746 6.727 1.00 32.05 O ATOM 471 OE2 GLU A2041 -12.131 11.753 8.161 1.00 73.12 O ATOM 0 H GLU A2041 -12.666 11.342 2.680 1.00 24.11 H new ATOM 0 HA GLU A2041 -13.004 13.448 4.401 1.00 65.44 H new ATOM 0 HB2 GLU A2041 -12.071 11.111 4.840 1.00 24.31 H new ATOM 0 HB3 GLU A2041 -10.519 11.717 4.300 1.00 24.31 H new ATOM 0 HG2 GLU A2041 -10.320 12.171 6.569 1.00 24.34 H new ATOM 0 HG3 GLU A2041 -11.037 13.682 6.046 1.00 24.34 H new ATOM 479 N ARG A2042 -10.666 14.006 2.241 1.00 14.14 N ATOM 480 CA ARG A2042 -9.746 15.004 1.726 1.00 12.45 C ATOM 481 C ARG A2042 -8.504 15.093 2.614 1.00 34.04 C ATOM 482 O ARG A2042 -7.795 16.098 2.600 1.00 12.33 O ATOM 483 CB ARG A2042 -10.410 16.380 1.653 1.00 44.42 C ATOM 484 CG ARG A2042 -10.820 16.716 0.217 1.00 13.55 C ATOM 485 CD ARG A2042 -9.650 16.514 -0.749 1.00 63.24 C ATOM 486 NE ARG A2042 -9.775 17.440 -1.897 1.00 72.10 N ATOM 487 CZ ARG A2042 -8.970 17.416 -2.980 1.00 73.52 C ATOM 488 NH1 ARG A2042 -7.972 16.512 -3.072 1.00 62.50 N ATOM 489 NH2 ARG A2042 -9.172 18.290 -3.946 1.00 3.43 N ATOM 0 H ARG A2042 -10.827 13.213 1.620 1.00 14.14 H new ATOM 0 HA ARG A2042 -9.456 14.698 0.721 1.00 12.45 H new ATOM 0 HB2 ARG A2042 -11.287 16.399 2.299 1.00 44.42 H new ATOM 0 HB3 ARG A2042 -9.723 17.140 2.026 1.00 44.42 H new ATOM 0 HG2 ARG A2042 -11.657 16.085 -0.083 1.00 13.55 H new ATOM 0 HG3 ARG A2042 -11.165 17.749 0.166 1.00 13.55 H new ATOM 0 HD2 ARG A2042 -8.707 16.688 -0.232 1.00 63.24 H new ATOM 0 HD3 ARG A2042 -9.634 15.483 -1.103 1.00 63.24 H new ATOM 0 HE ARG A2042 -10.516 18.140 -1.868 1.00 72.10 H new ATOM 0 HH11 ARG A2042 -7.822 15.840 -2.320 1.00 62.50 H new ATOM 0 HH12 ARG A2042 -7.368 16.501 -3.894 1.00 62.50 H new ATOM 0 HH21 ARG A2042 -9.928 18.971 -3.868 1.00 3.43 H new ATOM 0 HH22 ARG A2042 -8.573 18.286 -4.771 1.00 3.43 H new ATOM 501 N ASN A2043 -8.278 14.027 3.368 1.00 73.12 N ATOM 502 CA ASN A2043 -7.133 13.971 4.263 1.00 50.35 C ATOM 503 C ASN A2043 -6.306 12.722 3.950 1.00 31.11 C ATOM 504 O ASN A2043 -6.839 11.614 3.909 1.00 45.32 O ATOM 505 CB ASN A2043 -7.580 13.888 5.725 1.00 3.31 C ATOM 506 CG ASN A2043 -7.295 15.199 6.460 1.00 33.20 C ATOM 507 OD1 ASN A2043 -6.553 16.051 5.999 1.00 70.22 O ATOM 508 ND2 ASN A2043 -7.925 15.312 7.625 1.00 1.01 N ATOM 0 H ASN A2043 -8.868 13.195 3.378 1.00 73.12 H new ATOM 0 HA ASN A2043 -6.546 14.877 4.116 1.00 50.35 H new ATOM 0 HB2 ASN A2043 -8.646 13.665 5.771 1.00 3.31 H new ATOM 0 HB3 ASN A2043 -7.061 13.068 6.222 1.00 3.31 H new ATOM 0 HD21 ASN A2043 -7.801 16.151 8.192 1.00 1.01 H new ATOM 0 HD22 ASN A2043 -8.532 14.560 7.952 1.00 1.01 H new ATOM 515 N VAL A2044 -5.018 12.943 3.736 1.00 32.21 N ATOM 516 CA VAL A2044 -4.113 11.849 3.428 1.00 24.20 C ATOM 517 C VAL A2044 -3.693 11.159 4.726 1.00 33.14 C ATOM 518 O VAL A2044 -3.126 10.067 4.698 1.00 53.23 O ATOM 519 CB VAL A2044 -2.923 12.368 2.616 1.00 63.15 C ATOM 520 CG1 VAL A2044 -3.388 12.977 1.292 1.00 3.23 C ATOM 521 CG2 VAL A2044 -2.104 13.374 3.426 1.00 34.34 C ATOM 0 H VAL A2044 -4.579 13.863 3.770 1.00 32.21 H new ATOM 0 HA VAL A2044 -4.613 11.103 2.810 1.00 24.20 H new ATOM 0 HB VAL A2044 -2.278 11.520 2.386 1.00 63.15 H new ATOM 0 HG11 VAL A2044 -2.524 13.338 0.734 1.00 3.23 H new ATOM 0 HG12 VAL A2044 -3.908 12.219 0.706 1.00 3.23 H new ATOM 0 HG13 VAL A2044 -4.064 13.808 1.491 1.00 3.23 H new ATOM 0 HG21 VAL A2044 -1.265 13.727 2.826 1.00 34.34 H new ATOM 0 HG22 VAL A2044 -2.735 14.219 3.701 1.00 34.34 H new ATOM 0 HG23 VAL A2044 -1.728 12.894 4.329 1.00 34.34 H new ATOM 531 N LYS A2045 -3.991 11.821 5.835 1.00 34.33 N ATOM 532 CA LYS A2045 -3.652 11.284 7.142 1.00 3.23 C ATOM 533 C LYS A2045 -4.261 9.887 7.287 1.00 21.33 C ATOM 534 O LYS A2045 -3.677 9.017 7.932 1.00 44.44 O ATOM 535 CB LYS A2045 -4.074 12.256 8.247 1.00 4.23 C ATOM 536 CG LYS A2045 -5.596 12.373 8.322 1.00 33.23 C ATOM 537 CD LYS A2045 -6.129 11.759 9.618 1.00 72.24 C ATOM 538 CE LYS A2045 -7.476 12.374 10.003 1.00 44.33 C ATOM 539 NZ LYS A2045 -7.274 13.606 10.798 1.00 44.15 N ATOM 0 H LYS A2045 -4.464 12.725 5.855 1.00 34.33 H new ATOM 0 HA LYS A2045 -2.572 11.175 7.241 1.00 3.23 H new ATOM 0 HB2 LYS A2045 -3.684 11.914 9.206 1.00 4.23 H new ATOM 0 HB3 LYS A2045 -3.639 13.238 8.058 1.00 4.23 H new ATOM 0 HG2 LYS A2045 -5.887 13.422 8.266 1.00 33.23 H new ATOM 0 HG3 LYS A2045 -6.046 11.871 7.465 1.00 33.23 H new ATOM 0 HD2 LYS A2045 -6.239 10.681 9.496 1.00 72.24 H new ATOM 0 HD3 LYS A2045 -5.410 11.917 10.422 1.00 72.24 H new ATOM 0 HE2 LYS A2045 -8.048 12.604 9.104 1.00 44.33 H new ATOM 0 HE3 LYS A2045 -8.060 11.655 10.577 1.00 44.33 H new ATOM 0 HZ1 LYS A2045 -8.198 14.011 11.051 1.00 44.15 H new ATOM 0 HZ2 LYS A2045 -6.747 13.377 11.665 1.00 44.15 H new ATOM 0 HZ3 LYS A2045 -6.735 14.297 10.237 1.00 44.15 H new ATOM 552 N GLY A2046 -5.425 9.718 6.678 1.00 50.21 N ATOM 553 CA GLY A2046 -6.118 8.442 6.733 1.00 14.24 C ATOM 554 C GLY A2046 -5.386 7.383 5.906 1.00 4.41 C ATOM 555 O GLY A2046 -5.290 6.226 6.314 1.00 73.34 O ATOM 0 H GLY A2046 -5.906 10.442 6.144 1.00 50.21 H new ATOM 0 HA2 GLY A2046 -6.195 8.110 7.769 1.00 14.24 H new ATOM 0 HA3 GLY A2046 -7.135 8.560 6.360 1.00 14.24 H new ATOM 559 N MET A2047 -4.885 7.818 4.757 1.00 74.11 N ATOM 560 CA MET A2047 -4.163 6.924 3.869 1.00 23.44 C ATOM 561 C MET A2047 -2.869 6.431 4.520 1.00 53.35 C ATOM 562 O MET A2047 -2.525 5.255 4.416 1.00 44.11 O ATOM 563 CB MET A2047 -3.836 7.653 2.565 1.00 22.15 C ATOM 564 CG MET A2047 -2.817 6.866 1.738 1.00 13.32 C ATOM 565 SD MET A2047 -1.160 7.262 2.274 1.00 4.32 S ATOM 566 CE MET A2047 -1.202 9.039 2.120 1.00 24.20 C ATOM 0 H MET A2047 -4.966 8.778 4.422 1.00 74.11 H new ATOM 0 HA MET A2047 -4.794 6.060 3.662 1.00 23.44 H new ATOM 0 HB2 MET A2047 -4.748 7.796 1.985 1.00 22.15 H new ATOM 0 HB3 MET A2047 -3.441 8.644 2.787 1.00 22.15 H new ATOM 0 HG2 MET A2047 -2.997 5.796 1.846 1.00 13.32 H new ATOM 0 HG3 MET A2047 -2.933 7.104 0.681 1.00 13.32 H new ATOM 0 HE1 MET A2047 -0.273 9.387 1.668 1.00 24.20 H new ATOM 0 HE2 MET A2047 -2.043 9.330 1.491 1.00 24.20 H new ATOM 0 HE3 MET A2047 -1.315 9.487 3.107 1.00 24.20 H new ATOM 576 N PHE A2048 -2.185 7.359 5.174 1.00 13.25 N ATOM 577 CA PHE A2048 -0.935 7.033 5.842 1.00 1.33 C ATOM 578 C PHE A2048 -1.187 6.219 7.111 1.00 33.11 C ATOM 579 O PHE A2048 -0.429 5.303 7.426 1.00 34.00 O ATOM 580 CB PHE A2048 -0.274 8.361 6.222 1.00 71.34 C ATOM 581 CG PHE A2048 0.346 9.109 5.040 1.00 23.31 C ATOM 582 CD1 PHE A2048 1.033 8.423 4.088 1.00 31.34 C ATOM 583 CD2 PHE A2048 0.213 10.458 4.945 1.00 62.12 C ATOM 584 CE1 PHE A2048 1.610 9.116 2.992 1.00 0.03 C ATOM 585 CE2 PHE A2048 0.789 11.152 3.847 1.00 12.40 C ATOM 586 CZ PHE A2048 1.476 10.466 2.893 1.00 34.12 C ATOM 0 H PHE A2048 -2.472 8.335 5.256 1.00 13.25 H new ATOM 0 HA PHE A2048 -0.304 6.438 5.183 1.00 1.33 H new ATOM 0 HB2 PHE A2048 -1.017 9.003 6.695 1.00 71.34 H new ATOM 0 HB3 PHE A2048 0.501 8.170 6.964 1.00 71.34 H new ATOM 0 HD1 PHE A2048 1.140 7.351 4.166 1.00 31.34 H new ATOM 0 HD2 PHE A2048 -0.330 11.002 5.703 1.00 62.12 H new ATOM 0 HE1 PHE A2048 2.156 8.571 2.236 1.00 0.03 H new ATOM 0 HE2 PHE A2048 0.682 12.224 3.769 1.00 12.40 H new ATOM 0 HZ PHE A2048 1.914 10.993 2.058 1.00 34.12 H new ATOM 596 N GLU A2049 -2.254 6.584 7.808 1.00 3.02 N ATOM 597 CA GLU A2049 -2.614 5.898 9.038 1.00 34.21 C ATOM 598 C GLU A2049 -3.261 4.547 8.722 1.00 72.22 C ATOM 599 O GLU A2049 -3.393 3.698 9.602 1.00 41.12 O ATOM 600 CB GLU A2049 -3.541 6.763 9.894 1.00 31.22 C ATOM 601 CG GLU A2049 -4.978 6.711 9.374 1.00 10.14 C ATOM 602 CD GLU A2049 -5.758 5.569 10.029 1.00 60.13 C ATOM 603 OE1 GLU A2049 -6.342 5.756 11.106 1.00 75.23 O ATOM 604 OE2 GLU A2049 -5.746 4.456 9.378 1.00 52.34 O ATOM 0 H GLU A2049 -2.880 7.345 7.545 1.00 3.02 H new ATOM 0 HA GLU A2049 -1.705 5.718 9.612 1.00 34.21 H new ATOM 0 HB2 GLU A2049 -3.512 6.419 10.928 1.00 31.22 H new ATOM 0 HB3 GLU A2049 -3.187 7.794 9.891 1.00 31.22 H new ATOM 0 HG2 GLU A2049 -5.476 7.659 9.576 1.00 10.14 H new ATOM 0 HG3 GLU A2049 -4.972 6.578 8.292 1.00 10.14 H new ATOM 612 N VAL A2050 -3.646 4.392 7.464 1.00 43.21 N ATOM 613 CA VAL A2050 -4.275 3.159 7.023 1.00 11.12 C ATOM 614 C VAL A2050 -3.192 2.140 6.659 1.00 73.34 C ATOM 615 O VAL A2050 -3.298 0.964 7.005 1.00 55.23 O ATOM 616 CB VAL A2050 -5.237 3.447 5.868 1.00 25.51 C ATOM 617 CG1 VAL A2050 -5.488 2.187 5.035 1.00 33.52 C ATOM 618 CG2 VAL A2050 -6.552 4.035 6.383 1.00 14.30 C ATOM 0 H VAL A2050 -3.535 5.099 6.737 1.00 43.21 H new ATOM 0 HA VAL A2050 -4.872 2.726 7.826 1.00 11.12 H new ATOM 0 HB VAL A2050 -4.770 4.189 5.220 1.00 25.51 H new ATOM 0 HG11 VAL A2050 -6.175 2.420 4.221 1.00 33.52 H new ATOM 0 HG12 VAL A2050 -4.544 1.830 4.623 1.00 33.52 H new ATOM 0 HG13 VAL A2050 -5.924 1.414 5.667 1.00 33.52 H new ATOM 0 HG21 VAL A2050 -7.217 4.230 5.542 1.00 14.30 H new ATOM 0 HG22 VAL A2050 -7.025 3.327 7.063 1.00 14.30 H new ATOM 0 HG23 VAL A2050 -6.352 4.967 6.911 1.00 14.30 H new ATOM 628 N LEU A2051 -2.174 2.629 5.964 1.00 45.12 N ATOM 629 CA LEU A2051 -1.072 1.776 5.550 1.00 50.40 C ATOM 630 C LEU A2051 -0.160 1.513 6.748 1.00 14.13 C ATOM 631 O LEU A2051 0.239 0.375 6.991 1.00 34.15 O ATOM 632 CB LEU A2051 -0.351 2.383 4.345 1.00 71.10 C ATOM 633 CG LEU A2051 -1.175 2.514 3.065 1.00 62.13 C ATOM 634 CD1 LEU A2051 -2.669 2.342 3.353 1.00 34.22 C ATOM 635 CD2 LEU A2051 -0.878 3.837 2.356 1.00 2.42 C ATOM 0 H LEU A2051 -2.090 3.604 5.678 1.00 45.12 H new ATOM 0 HA LEU A2051 -1.442 0.807 5.215 1.00 50.40 H new ATOM 0 HB2 LEU A2051 0.010 3.373 4.624 1.00 71.10 H new ATOM 0 HB3 LEU A2051 0.526 1.774 4.127 1.00 71.10 H new ATOM 0 HG LEU A2051 -0.883 1.711 2.388 1.00 62.13 H new ATOM 0 HD11 LEU A2051 -3.232 2.440 2.425 1.00 34.22 H new ATOM 0 HD12 LEU A2051 -2.846 1.356 3.782 1.00 34.22 H new ATOM 0 HD13 LEU A2051 -2.994 3.108 4.057 1.00 34.22 H new ATOM 0 HD21 LEU A2051 -1.477 3.906 1.448 1.00 2.42 H new ATOM 0 HD22 LEU A2051 -1.125 4.668 3.017 1.00 2.42 H new ATOM 0 HD23 LEU A2051 0.180 3.881 2.097 1.00 2.42 H new ATOM 647 N GLU A2052 0.147 2.585 7.464 1.00 33.35 N ATOM 648 CA GLU A2052 1.008 2.485 8.630 1.00 51.02 C ATOM 649 C GLU A2052 0.758 1.164 9.361 1.00 21.50 C ATOM 650 O GLU A2052 1.690 0.394 9.595 1.00 22.52 O ATOM 651 CB GLU A2052 0.802 3.677 9.568 1.00 52.01 C ATOM 652 CG GLU A2052 2.026 4.595 9.563 1.00 22.22 C ATOM 653 CD GLU A2052 1.993 5.545 8.364 1.00 15.14 C ATOM 654 OE1 GLU A2052 2.269 5.124 7.231 1.00 11.31 O ATOM 655 OE2 GLU A2052 1.665 6.761 8.642 1.00 41.53 O ATOM 0 H GLU A2052 -0.185 3.527 7.259 1.00 33.35 H new ATOM 0 HA GLU A2052 2.045 2.503 8.295 1.00 51.02 H new ATOM 0 HB2 GLU A2052 -0.080 4.239 9.260 1.00 52.01 H new ATOM 0 HB3 GLU A2052 0.615 3.320 10.581 1.00 52.01 H new ATOM 0 HG2 GLU A2052 2.057 5.171 10.488 1.00 22.22 H new ATOM 0 HG3 GLU A2052 2.935 3.995 9.531 1.00 22.22 H new ATOM 663 N PRO A2053 -0.535 0.935 9.711 1.00 64.21 N ATOM 664 CA PRO A2053 -0.919 -0.280 10.411 1.00 10.54 C ATOM 665 C PRO A2053 -0.927 -1.480 9.461 1.00 14.14 C ATOM 666 O PRO A2053 -0.313 -2.506 9.748 1.00 3.32 O ATOM 667 CB PRO A2053 -2.288 0.020 11.000 1.00 13.14 C ATOM 668 CG PRO A2053 -2.821 1.213 10.226 1.00 52.12 C ATOM 669 CD PRO A2053 -1.664 1.823 9.451 1.00 24.22 C ATOM 0 HA PRO A2053 -0.214 -0.554 11.196 1.00 10.54 H new ATOM 0 HB2 PRO A2053 -2.952 -0.838 10.901 1.00 13.14 H new ATOM 0 HB3 PRO A2053 -2.215 0.246 12.064 1.00 13.14 H new ATOM 0 HG2 PRO A2053 -3.614 0.903 9.546 1.00 52.12 H new ATOM 0 HG3 PRO A2053 -3.253 1.947 10.906 1.00 52.12 H new ATOM 0 HD2 PRO A2053 -1.887 1.879 8.385 1.00 24.22 H new ATOM 0 HD3 PRO A2053 -1.454 2.839 9.786 1.00 24.22 H new ATOM 677 N LEU A2054 -1.628 -1.311 8.350 1.00 42.15 N ATOM 678 CA LEU A2054 -1.724 -2.366 7.357 1.00 65.05 C ATOM 679 C LEU A2054 -0.323 -2.897 7.047 1.00 43.33 C ATOM 680 O LEU A2054 -0.069 -4.095 7.169 1.00 43.13 O ATOM 681 CB LEU A2054 -2.483 -1.874 6.123 1.00 61.13 C ATOM 682 CG LEU A2054 -4.009 -1.969 6.191 1.00 40.50 C ATOM 683 CD1 LEU A2054 -4.479 -2.219 7.624 1.00 72.45 C ATOM 684 CD2 LEU A2054 -4.663 -0.729 5.580 1.00 72.52 C ATOM 0 H LEU A2054 -2.136 -0.458 8.116 1.00 42.15 H new ATOM 0 HA LEU A2054 -2.304 -3.203 7.745 1.00 65.05 H new ATOM 0 HB2 LEU A2054 -2.211 -0.834 5.945 1.00 61.13 H new ATOM 0 HB3 LEU A2054 -2.142 -2.445 5.260 1.00 61.13 H new ATOM 0 HG LEU A2054 -4.325 -2.825 5.595 1.00 40.50 H new ATOM 0 HD11 LEU A2054 -5.567 -2.282 7.644 1.00 72.45 H new ATOM 0 HD12 LEU A2054 -4.054 -3.154 7.988 1.00 72.45 H new ATOM 0 HD13 LEU A2054 -4.151 -1.399 8.263 1.00 72.45 H new ATOM 0 HD21 LEU A2054 -5.747 -0.822 5.641 1.00 72.52 H new ATOM 0 HD22 LEU A2054 -4.344 0.158 6.127 1.00 72.52 H new ATOM 0 HD23 LEU A2054 -4.365 -0.638 4.536 1.00 72.52 H new ATOM 696 N HIS A2055 0.547 -1.982 6.652 1.00 10.51 N ATOM 697 CA HIS A2055 1.916 -2.342 6.324 1.00 14.43 C ATOM 698 C HIS A2055 2.592 -2.963 7.547 1.00 64.44 C ATOM 699 O HIS A2055 3.164 -4.048 7.462 1.00 22.31 O ATOM 700 CB HIS A2055 2.679 -1.137 5.774 1.00 14.25 C ATOM 701 CG HIS A2055 2.242 -0.709 4.392 1.00 52.02 C ATOM 702 ND1 HIS A2055 2.691 0.453 3.789 1.00 5.01 N ATOM 703 CD2 HIS A2055 1.393 -1.300 3.505 1.00 3.31 C ATOM 704 CE1 HIS A2055 2.130 0.547 2.594 1.00 32.02 C ATOM 705 NE2 HIS A2055 1.325 -0.540 2.418 1.00 52.02 N ATOM 0 H HIS A2055 0.331 -0.990 6.551 1.00 10.51 H new ATOM 0 HA HIS A2055 1.917 -3.091 5.532 1.00 14.43 H new ATOM 0 HB2 HIS A2055 2.555 -0.298 6.459 1.00 14.25 H new ATOM 0 HB3 HIS A2055 3.743 -1.374 5.750 1.00 14.25 H new ATOM 0 HD2 HIS A2055 0.865 -2.229 3.660 1.00 3.31 H new ATOM 0 HE1 HIS A2055 2.283 1.345 1.882 1.00 32.02 H new ATOM 0 HE2 HIS A2055 0.764 -0.737 1.589 1.00 52.02 H new ATOM 714 N ALA A2056 2.501 -2.249 8.659 1.00 71.21 N ATOM 715 CA ALA A2056 3.095 -2.717 9.899 1.00 14.03 C ATOM 716 C ALA A2056 2.630 -4.147 10.177 1.00 30.43 C ATOM 717 O ALA A2056 3.447 -5.036 10.414 1.00 2.12 O ATOM 718 CB ALA A2056 2.734 -1.757 11.035 1.00 51.54 C ATOM 0 H ALA A2056 2.025 -1.350 8.727 1.00 71.21 H new ATOM 0 HA ALA A2056 4.182 -2.733 9.819 1.00 14.03 H new ATOM 0 HB1 ALA A2056 3.180 -2.109 11.965 1.00 51.54 H new ATOM 0 HB2 ALA A2056 3.114 -0.762 10.805 1.00 51.54 H new ATOM 0 HB3 ALA A2056 1.650 -1.715 11.146 1.00 51.54 H new ATOM 724 N MET A2057 1.317 -4.326 10.137 1.00 21.05 N ATOM 725 CA MET A2057 0.733 -5.633 10.381 1.00 43.21 C ATOM 726 C MET A2057 1.393 -6.702 9.507 1.00 35.11 C ATOM 727 O MET A2057 1.596 -7.831 9.948 1.00 73.14 O ATOM 728 CB MET A2057 -0.768 -5.586 10.081 1.00 61.21 C ATOM 729 CG MET A2057 -1.154 -6.642 9.044 1.00 23.13 C ATOM 730 SD MET A2057 -2.928 -6.701 8.863 1.00 63.12 S ATOM 731 CE MET A2057 -3.052 -7.016 7.111 1.00 13.51 C ATOM 0 H MET A2057 0.642 -3.587 9.939 1.00 21.05 H new ATOM 0 HA MET A2057 0.897 -5.893 11.427 1.00 43.21 H new ATOM 0 HB2 MET A2057 -1.331 -5.751 11.000 1.00 61.21 H new ATOM 0 HB3 MET A2057 -1.038 -4.596 9.715 1.00 61.21 H new ATOM 0 HG2 MET A2057 -0.690 -6.409 8.086 1.00 23.13 H new ATOM 0 HG3 MET A2057 -0.779 -7.618 9.350 1.00 23.13 H new ATOM 0 HE1 MET A2057 -4.097 -7.171 6.842 1.00 13.51 H new ATOM 0 HE2 MET A2057 -2.658 -6.163 6.559 1.00 13.51 H new ATOM 0 HE3 MET A2057 -2.477 -7.907 6.860 1.00 13.51 H new ATOM 741 N MET A2058 1.712 -6.305 8.284 1.00 13.23 N ATOM 742 CA MET A2058 2.347 -7.215 7.344 1.00 52.02 C ATOM 743 C MET A2058 3.781 -7.533 7.773 1.00 53.31 C ATOM 744 O MET A2058 4.281 -8.627 7.516 1.00 1.21 O ATOM 745 CB MET A2058 2.358 -6.583 5.950 1.00 11.10 C ATOM 746 CG MET A2058 0.938 -6.248 5.489 1.00 35.14 C ATOM 747 SD MET A2058 0.453 -7.344 4.166 1.00 2.32 S ATOM 748 CE MET A2058 -1.207 -7.741 4.685 1.00 25.11 C ATOM 0 H MET A2058 1.543 -5.367 7.922 1.00 13.23 H new ATOM 0 HA MET A2058 1.779 -8.145 7.326 1.00 52.02 H new ATOM 0 HB2 MET A2058 2.964 -5.677 5.962 1.00 11.10 H new ATOM 0 HB3 MET A2058 2.823 -7.267 5.240 1.00 11.10 H new ATOM 0 HG2 MET A2058 0.244 -6.342 6.324 1.00 35.14 H new ATOM 0 HG3 MET A2058 0.891 -5.213 5.151 1.00 35.14 H new ATOM 0 HE1 MET A2058 -1.796 -8.044 3.819 1.00 25.11 H new ATOM 0 HE2 MET A2058 -1.177 -8.557 5.407 1.00 25.11 H new ATOM 0 HE3 MET A2058 -1.663 -6.865 5.146 1.00 25.11 H new ATOM 758 N GLU A2059 4.402 -6.556 8.419 1.00 3.51 N ATOM 759 CA GLU A2059 5.770 -6.719 8.885 1.00 51.34 C ATOM 760 C GLU A2059 5.798 -7.574 10.153 1.00 60.24 C ATOM 761 O GLU A2059 6.372 -8.662 10.158 1.00 73.31 O ATOM 762 CB GLU A2059 6.431 -5.360 9.123 1.00 22.35 C ATOM 763 CG GLU A2059 6.000 -4.347 8.062 1.00 52.35 C ATOM 764 CD GLU A2059 7.113 -3.333 7.787 1.00 2.03 C ATOM 765 OE1 GLU A2059 8.204 -3.719 7.339 1.00 63.21 O ATOM 766 OE2 GLU A2059 6.813 -2.107 8.053 1.00 0.33 O ATOM 0 H GLU A2059 3.984 -5.650 8.631 1.00 3.51 H new ATOM 0 HA GLU A2059 6.341 -7.233 8.112 1.00 51.34 H new ATOM 0 HB2 GLU A2059 6.164 -4.990 10.113 1.00 22.35 H new ATOM 0 HB3 GLU A2059 7.515 -5.471 9.106 1.00 22.35 H new ATOM 0 HG2 GLU A2059 5.742 -4.868 7.140 1.00 52.35 H new ATOM 0 HG3 GLU A2059 5.103 -3.826 8.395 1.00 52.35 H new ATOM 774 N ARG A2060 5.174 -7.050 11.198 1.00 3.14 N ATOM 775 CA ARG A2060 5.122 -7.752 12.469 1.00 44.31 C ATOM 776 C ARG A2060 4.176 -8.951 12.375 1.00 43.22 C ATOM 777 O ARG A2060 4.228 -9.853 13.208 1.00 3.42 O ATOM 778 CB ARG A2060 4.649 -6.824 13.590 1.00 41.11 C ATOM 779 CG ARG A2060 3.214 -6.353 13.343 1.00 42.01 C ATOM 780 CD ARG A2060 2.778 -5.342 14.406 1.00 41.23 C ATOM 781 NE ARG A2060 3.289 -3.996 14.063 1.00 71.04 N ATOM 782 CZ ARG A2060 3.145 -2.909 14.852 1.00 15.24 C ATOM 783 NH1 ARG A2060 2.507 -3.001 16.037 1.00 72.50 N ATOM 784 NH2 ARG A2060 3.639 -1.754 14.447 1.00 3.45 N ATOM 0 H ARG A2060 4.700 -6.147 11.190 1.00 3.14 H new ATOM 0 HA ARG A2060 6.130 -8.098 12.699 1.00 44.31 H new ATOM 0 HB2 ARG A2060 4.705 -7.345 14.546 1.00 41.11 H new ATOM 0 HB3 ARG A2060 5.312 -5.962 13.657 1.00 41.11 H new ATOM 0 HG2 ARG A2060 3.141 -5.900 12.354 1.00 42.01 H new ATOM 0 HG3 ARG A2060 2.540 -7.209 13.352 1.00 42.01 H new ATOM 0 HD2 ARG A2060 1.690 -5.321 14.475 1.00 41.23 H new ATOM 0 HD3 ARG A2060 3.154 -5.645 15.383 1.00 41.23 H new ATOM 0 HE ARG A2060 3.780 -3.882 13.176 1.00 71.04 H new ATOM 0 HH11 ARG A2060 2.128 -3.897 16.344 1.00 72.50 H new ATOM 0 HH12 ARG A2060 2.403 -2.175 16.626 1.00 72.50 H new ATOM 0 HH21 ARG A2060 4.121 -1.692 13.550 1.00 3.45 H new ATOM 0 HH22 ARG A2060 3.539 -0.924 15.031 1.00 3.45 H new ATOM 796 N GLY A2061 3.333 -8.920 11.352 1.00 23.13 N ATOM 797 CA GLY A2061 2.378 -9.994 11.139 1.00 24.33 C ATOM 798 C GLY A2061 2.587 -10.650 9.772 1.00 4.41 C ATOM 799 O GLY A2061 1.818 -10.414 8.840 1.00 61.12 O ATOM 0 H GLY A2061 3.292 -8.169 10.663 1.00 23.13 H new ATOM 0 HA2 GLY A2061 2.484 -10.741 11.925 1.00 24.33 H new ATOM 0 HA3 GLY A2061 1.363 -9.602 11.207 1.00 24.33 H new ATOM 803 N PRO A2062 3.658 -11.483 9.692 1.00 55.21 N ATOM 804 CA PRO A2062 3.979 -12.175 8.455 1.00 4.31 C ATOM 805 C PRO A2062 3.013 -13.337 8.211 1.00 34.02 C ATOM 806 O PRO A2062 1.936 -13.387 8.803 1.00 64.23 O ATOM 807 CB PRO A2062 5.422 -12.625 8.617 1.00 10.22 C ATOM 808 CG PRO A2062 5.707 -12.578 10.110 1.00 63.31 C ATOM 809 CD PRO A2062 4.592 -11.787 10.774 1.00 71.15 C ATOM 0 HA PRO A2062 3.872 -11.538 7.577 1.00 4.31 H new ATOM 0 HB2 PRO A2062 5.564 -13.632 8.224 1.00 10.22 H new ATOM 0 HB3 PRO A2062 6.099 -11.970 8.069 1.00 10.22 H new ATOM 0 HG2 PRO A2062 5.756 -13.586 10.521 1.00 63.31 H new ATOM 0 HG3 PRO A2062 6.673 -12.109 10.299 1.00 63.31 H new ATOM 0 HD2 PRO A2062 4.110 -12.366 11.562 1.00 71.15 H new ATOM 0 HD3 PRO A2062 4.973 -10.876 11.236 1.00 71.15 H new ATOM 817 N GLN A2063 3.436 -14.242 7.340 1.00 44.52 N ATOM 818 CA GLN A2063 2.621 -15.400 7.011 1.00 14.34 C ATOM 819 C GLN A2063 3.514 -16.611 6.729 1.00 24.00 C ATOM 820 O GLN A2063 3.555 -17.552 7.520 1.00 45.42 O ATOM 821 CB GLN A2063 1.704 -15.105 5.823 1.00 24.43 C ATOM 822 CG GLN A2063 0.652 -16.204 5.658 1.00 55.32 C ATOM 823 CD GLN A2063 -0.754 -15.607 5.568 1.00 64.43 C ATOM 824 OE1 GLN A2063 -1.567 -15.728 6.471 1.00 51.51 O ATOM 825 NE2 GLN A2063 -0.995 -14.958 4.433 1.00 4.21 N ATOM 0 H GLN A2063 4.331 -14.197 6.853 1.00 44.52 H new ATOM 0 HA GLN A2063 1.987 -15.631 7.867 1.00 14.34 H new ATOM 0 HB2 GLN A2063 1.211 -14.144 5.969 1.00 24.43 H new ATOM 0 HB3 GLN A2063 2.297 -15.024 4.912 1.00 24.43 H new ATOM 0 HG2 GLN A2063 0.863 -16.783 4.759 1.00 55.32 H new ATOM 0 HG3 GLN A2063 0.705 -16.893 6.501 1.00 55.32 H new ATOM 0 HE21 GLN A2063 -0.270 -14.894 3.718 1.00 4.21 H new ATOM 0 HE22 GLN A2063 -1.905 -14.524 4.277 1.00 4.21 H new ATOM 834 N THR A2064 4.202 -16.548 5.599 1.00 30.32 N ATOM 835 CA THR A2064 5.091 -17.629 5.204 1.00 42.33 C ATOM 836 C THR A2064 6.080 -17.144 4.142 1.00 53.10 C ATOM 837 O THR A2064 6.150 -15.950 3.852 1.00 63.20 O ATOM 838 CB THR A2064 4.227 -18.803 4.738 1.00 42.32 C ATOM 839 OG1 THR A2064 5.172 -19.799 4.358 1.00 1.22 O ATOM 840 CG2 THR A2064 3.470 -18.496 3.444 1.00 52.32 C ATOM 0 H THR A2064 4.163 -15.767 4.944 1.00 30.32 H new ATOM 0 HA THR A2064 5.701 -17.967 6.042 1.00 42.33 H new ATOM 0 HB THR A2064 3.516 -19.064 5.522 1.00 42.32 H new ATOM 0 HG1 THR A2064 4.698 -20.597 4.044 1.00 1.22 H new ATOM 0 HG21 THR A2064 2.873 -19.362 3.158 1.00 52.32 H new ATOM 0 HG22 THR A2064 2.815 -17.639 3.600 1.00 52.32 H new ATOM 0 HG23 THR A2064 4.182 -18.268 2.651 1.00 52.32 H new ATOM 848 N LEU A2065 6.822 -18.093 3.592 1.00 33.33 N ATOM 849 CA LEU A2065 7.805 -17.778 2.571 1.00 3.32 C ATOM 850 C LEU A2065 7.088 -17.265 1.320 1.00 61.02 C ATOM 851 O LEU A2065 7.600 -16.393 0.620 1.00 61.32 O ATOM 852 CB LEU A2065 8.712 -18.982 2.309 1.00 61.41 C ATOM 853 CG LEU A2065 10.166 -18.837 2.759 1.00 43.22 C ATOM 854 CD1 LEU A2065 10.583 -20.002 3.656 1.00 1.14 C ATOM 855 CD2 LEU A2065 11.099 -18.679 1.556 1.00 41.32 C ATOM 0 H LEU A2065 6.762 -19.082 3.835 1.00 33.33 H new ATOM 0 HA LEU A2065 8.465 -16.980 2.912 1.00 3.32 H new ATOM 0 HB2 LEU A2065 8.283 -19.850 2.809 1.00 61.41 H new ATOM 0 HB3 LEU A2065 8.703 -19.193 1.240 1.00 61.41 H new ATOM 0 HG LEU A2065 10.249 -17.928 3.354 1.00 43.22 H new ATOM 0 HD11 LEU A2065 11.621 -19.873 3.961 1.00 1.14 H new ATOM 0 HD12 LEU A2065 9.946 -20.027 4.540 1.00 1.14 H new ATOM 0 HD13 LEU A2065 10.480 -20.938 3.108 1.00 1.14 H new ATOM 0 HD21 LEU A2065 12.127 -18.578 1.904 1.00 41.32 H new ATOM 0 HD22 LEU A2065 11.018 -19.557 0.915 1.00 41.32 H new ATOM 0 HD23 LEU A2065 10.818 -17.790 0.992 1.00 41.32 H new ATOM 867 N LYS A2066 5.913 -17.828 1.078 1.00 51.40 N ATOM 868 CA LYS A2066 5.120 -17.439 -0.076 1.00 23.23 C ATOM 869 C LYS A2066 4.736 -15.964 0.050 1.00 43.01 C ATOM 870 O LYS A2066 4.617 -15.261 -0.953 1.00 2.23 O ATOM 871 CB LYS A2066 3.922 -18.375 -0.243 1.00 71.51 C ATOM 872 CG LYS A2066 4.273 -19.560 -1.146 1.00 51.00 C ATOM 873 CD LYS A2066 3.556 -20.830 -0.686 1.00 12.23 C ATOM 874 CE LYS A2066 4.178 -22.073 -1.328 1.00 50.11 C ATOM 875 NZ LYS A2066 5.037 -22.783 -0.356 1.00 33.45 N ATOM 0 H LYS A2066 5.491 -18.550 1.661 1.00 51.40 H new ATOM 0 HA LYS A2066 5.703 -17.540 -0.991 1.00 23.23 H new ATOM 0 HB2 LYS A2066 3.602 -18.739 0.733 1.00 71.51 H new ATOM 0 HB3 LYS A2066 3.083 -17.825 -0.669 1.00 71.51 H new ATOM 0 HG2 LYS A2066 3.994 -19.333 -2.175 1.00 51.00 H new ATOM 0 HG3 LYS A2066 5.351 -19.723 -1.136 1.00 51.00 H new ATOM 0 HD2 LYS A2066 3.611 -20.910 0.400 1.00 12.23 H new ATOM 0 HD3 LYS A2066 2.500 -20.771 -0.948 1.00 12.23 H new ATOM 0 HE2 LYS A2066 3.391 -22.739 -1.682 1.00 50.11 H new ATOM 0 HE3 LYS A2066 4.766 -21.784 -2.199 1.00 50.11 H new ATOM 0 HZ1 LYS A2066 5.451 -23.623 -0.808 1.00 33.45 H new ATOM 0 HZ2 LYS A2066 5.799 -22.150 -0.039 1.00 33.45 H new ATOM 0 HZ3 LYS A2066 4.466 -23.076 0.463 1.00 33.45 H new ATOM 888 N GLU A2067 4.550 -15.536 1.290 1.00 32.31 N ATOM 889 CA GLU A2067 4.182 -14.157 1.561 1.00 42.42 C ATOM 890 C GLU A2067 5.434 -13.285 1.671 1.00 3.12 C ATOM 891 O GLU A2067 5.358 -12.065 1.537 1.00 20.13 O ATOM 892 CB GLU A2067 3.328 -14.055 2.826 1.00 22.22 C ATOM 893 CG GLU A2067 2.247 -12.984 2.673 1.00 54.01 C ATOM 894 CD GLU A2067 1.057 -13.516 1.871 1.00 24.15 C ATOM 895 OE1 GLU A2067 0.888 -14.738 1.750 1.00 63.21 O ATOM 896 OE2 GLU A2067 0.293 -12.609 1.363 1.00 53.21 O ATOM 0 H GLU A2067 4.648 -16.121 2.120 1.00 32.31 H new ATOM 0 HA GLU A2067 3.582 -13.792 0.728 1.00 42.42 H new ATOM 0 HB2 GLU A2067 2.863 -15.019 3.034 1.00 22.22 H new ATOM 0 HB3 GLU A2067 3.963 -13.817 3.679 1.00 22.22 H new ATOM 0 HG2 GLU A2067 1.910 -12.659 3.657 1.00 54.01 H new ATOM 0 HG3 GLU A2067 2.665 -12.110 2.174 1.00 54.01 H new ATOM 904 N THR A2068 6.556 -13.945 1.917 1.00 4.23 N ATOM 905 CA THR A2068 7.823 -13.244 2.049 1.00 11.42 C ATOM 906 C THR A2068 8.199 -12.572 0.728 1.00 41.03 C ATOM 907 O THR A2068 8.791 -11.493 0.723 1.00 65.32 O ATOM 908 CB THR A2068 8.868 -14.248 2.539 1.00 13.53 C ATOM 909 OG1 THR A2068 8.568 -14.415 3.922 1.00 45.45 O ATOM 910 CG2 THR A2068 10.284 -13.668 2.533 1.00 34.10 C ATOM 0 H THR A2068 6.615 -14.957 2.028 1.00 4.23 H new ATOM 0 HA THR A2068 7.757 -12.438 2.780 1.00 11.42 H new ATOM 0 HB THR A2068 8.837 -15.139 1.912 1.00 13.53 H new ATOM 0 HG1 THR A2068 7.734 -14.921 4.017 1.00 45.45 H new ATOM 0 HG21 THR A2068 10.987 -14.421 2.889 1.00 34.10 H new ATOM 0 HG22 THR A2068 10.552 -13.373 1.519 1.00 34.10 H new ATOM 0 HG23 THR A2068 10.323 -12.797 3.187 1.00 34.10 H new ATOM 918 N SER A2069 7.840 -13.234 -0.361 1.00 25.33 N ATOM 919 CA SER A2069 8.133 -12.715 -1.685 1.00 1.21 C ATOM 920 C SER A2069 7.248 -11.502 -1.979 1.00 63.03 C ATOM 921 O SER A2069 7.670 -10.571 -2.666 1.00 63.03 O ATOM 922 CB SER A2069 7.933 -13.788 -2.757 1.00 65.34 C ATOM 923 OG SER A2069 8.511 -13.413 -4.005 1.00 55.34 O ATOM 0 H SER A2069 7.348 -14.127 -0.353 1.00 25.33 H new ATOM 0 HA SER A2069 9.179 -12.410 -1.707 1.00 1.21 H new ATOM 0 HB2 SER A2069 8.377 -14.725 -2.419 1.00 65.34 H new ATOM 0 HB3 SER A2069 6.867 -13.971 -2.892 1.00 65.34 H new ATOM 0 HG SER A2069 8.363 -14.125 -4.661 1.00 55.34 H new ATOM 929 N PHE A2070 6.037 -11.551 -1.444 1.00 44.43 N ATOM 930 CA PHE A2070 5.088 -10.467 -1.639 1.00 63.15 C ATOM 931 C PHE A2070 5.601 -9.168 -1.013 1.00 64.34 C ATOM 932 O PHE A2070 5.682 -8.142 -1.684 1.00 0.43 O ATOM 933 CB PHE A2070 3.789 -10.878 -0.941 1.00 10.34 C ATOM 934 CG PHE A2070 2.697 -9.807 -0.978 1.00 5.03 C ATOM 935 CD1 PHE A2070 2.838 -8.667 -0.250 1.00 63.24 C ATOM 936 CD2 PHE A2070 1.586 -9.995 -1.741 1.00 61.22 C ATOM 937 CE1 PHE A2070 1.824 -7.673 -0.284 1.00 20.12 C ATOM 938 CE2 PHE A2070 0.573 -9.001 -1.774 1.00 1.12 C ATOM 939 CZ PHE A2070 0.713 -7.862 -1.046 1.00 71.15 C ATOM 0 H PHE A2070 5.691 -12.324 -0.876 1.00 44.43 H new ATOM 0 HA PHE A2070 4.939 -10.291 -2.704 1.00 63.15 H new ATOM 0 HB2 PHE A2070 3.409 -11.786 -1.409 1.00 10.34 H new ATOM 0 HB3 PHE A2070 4.009 -11.123 0.098 1.00 10.34 H new ATOM 0 HD1 PHE A2070 3.721 -8.518 0.354 1.00 63.24 H new ATOM 0 HD2 PHE A2070 1.475 -10.899 -2.321 1.00 61.22 H new ATOM 0 HE1 PHE A2070 1.935 -6.768 0.295 1.00 20.12 H new ATOM 0 HE2 PHE A2070 -0.310 -9.150 -2.378 1.00 1.12 H new ATOM 0 HZ PHE A2070 -0.058 -7.106 -1.072 1.00 71.15 H new ATOM 949 N ASN A2071 5.934 -9.259 0.266 1.00 11.14 N ATOM 950 CA ASN A2071 6.438 -8.104 0.990 1.00 12.05 C ATOM 951 C ASN A2071 7.752 -7.642 0.357 1.00 45.05 C ATOM 952 O ASN A2071 8.089 -6.460 0.409 1.00 72.53 O ATOM 953 CB ASN A2071 6.717 -8.451 2.455 1.00 51.53 C ATOM 954 CG ASN A2071 6.087 -7.419 3.393 1.00 13.32 C ATOM 955 OD1 ASN A2071 5.149 -6.719 3.047 1.00 14.02 O ATOM 956 ND2 ASN A2071 6.653 -7.362 4.595 1.00 24.44 N ATOM 0 H ASN A2071 5.865 -10.113 0.819 1.00 11.14 H new ATOM 0 HA ASN A2071 5.682 -7.320 0.941 1.00 12.05 H new ATOM 0 HB2 ASN A2071 6.321 -9.441 2.680 1.00 51.53 H new ATOM 0 HB3 ASN A2071 7.793 -8.492 2.624 1.00 51.53 H new ATOM 0 HD21 ASN A2071 6.305 -6.704 5.292 1.00 24.44 H new ATOM 0 HD22 ASN A2071 7.435 -7.977 4.820 1.00 24.44 H new ATOM 963 N GLN A2072 8.457 -8.598 -0.230 1.00 33.30 N ATOM 964 CA GLN A2072 9.726 -8.304 -0.873 1.00 4.43 C ATOM 965 C GLN A2072 9.490 -7.676 -2.248 1.00 24.42 C ATOM 966 O GLN A2072 10.152 -6.706 -2.614 1.00 42.24 O ATOM 967 CB GLN A2072 10.588 -9.562 -0.985 1.00 12.33 C ATOM 968 CG GLN A2072 11.554 -9.672 0.196 1.00 31.13 C ATOM 969 CD GLN A2072 12.421 -10.927 0.082 1.00 21.24 C ATOM 970 OE1 GLN A2072 12.157 -11.826 -0.699 1.00 22.20 O ATOM 971 NE2 GLN A2072 13.469 -10.937 0.901 1.00 60.03 N ATOM 0 H GLN A2072 8.173 -9.577 -0.274 1.00 33.30 H new ATOM 0 HA GLN A2072 10.267 -7.587 -0.256 1.00 4.43 H new ATOM 0 HB2 GLN A2072 9.948 -10.444 -1.019 1.00 12.33 H new ATOM 0 HB3 GLN A2072 11.150 -9.540 -1.918 1.00 12.33 H new ATOM 0 HG2 GLN A2072 12.191 -8.788 0.233 1.00 31.13 H new ATOM 0 HG3 GLN A2072 10.991 -9.698 1.129 1.00 31.13 H new ATOM 0 HE21 GLN A2072 13.632 -10.151 1.530 1.00 60.03 H new ATOM 0 HE22 GLN A2072 14.110 -11.731 0.900 1.00 60.03 H new ATOM 980 N ALA A2073 8.546 -8.257 -2.974 1.00 11.45 N ATOM 981 CA ALA A2073 8.214 -7.767 -4.303 1.00 34.24 C ATOM 982 C ALA A2073 7.884 -6.276 -4.221 1.00 42.23 C ATOM 983 O ALA A2073 8.343 -5.489 -5.049 1.00 73.54 O ATOM 984 CB ALA A2073 7.062 -8.590 -4.876 1.00 3.10 C ATOM 0 H ALA A2073 8.000 -9.062 -2.668 1.00 11.45 H new ATOM 0 HA ALA A2073 9.061 -7.880 -4.979 1.00 34.24 H new ATOM 0 HB1 ALA A2073 6.813 -8.223 -5.872 1.00 3.10 H new ATOM 0 HB2 ALA A2073 7.359 -9.637 -4.939 1.00 3.10 H new ATOM 0 HB3 ALA A2073 6.191 -8.498 -4.227 1.00 3.10 H new ATOM 990 N TYR A2074 7.089 -5.931 -3.218 1.00 2.24 N ATOM 991 CA TYR A2074 6.692 -4.546 -3.021 1.00 64.21 C ATOM 992 C TYR A2074 7.551 -3.879 -1.946 1.00 33.32 C ATOM 993 O TYR A2074 7.480 -2.666 -1.756 1.00 51.30 O ATOM 994 CB TYR A2074 5.239 -4.591 -2.541 1.00 35.14 C ATOM 995 CG TYR A2074 4.308 -5.395 -3.450 1.00 0.33 C ATOM 996 CD1 TYR A2074 4.323 -5.182 -4.813 1.00 51.21 C ATOM 997 CD2 TYR A2074 3.452 -6.331 -2.908 1.00 65.42 C ATOM 998 CE1 TYR A2074 3.446 -5.937 -5.670 1.00 32.10 C ATOM 999 CE2 TYR A2074 2.575 -7.087 -3.764 1.00 34.24 C ATOM 1000 CZ TYR A2074 2.615 -6.852 -5.103 1.00 43.41 C ATOM 1001 OH TYR A2074 1.787 -7.567 -5.911 1.00 53.51 O ATOM 0 H TYR A2074 6.709 -6.585 -2.534 1.00 2.24 H new ATOM 0 HA TYR A2074 6.812 -3.976 -3.942 1.00 64.21 H new ATOM 0 HB2 TYR A2074 5.211 -5.020 -1.539 1.00 35.14 H new ATOM 0 HB3 TYR A2074 4.862 -3.572 -2.462 1.00 35.14 H new ATOM 0 HD1 TYR A2074 4.993 -4.449 -5.237 1.00 51.21 H new ATOM 0 HD2 TYR A2074 3.440 -6.497 -1.841 1.00 65.42 H new ATOM 0 HE1 TYR A2074 3.448 -5.780 -6.739 1.00 32.10 H new ATOM 0 HE2 TYR A2074 1.901 -7.824 -3.352 1.00 34.24 H new ATOM 0 HH TYR A2074 1.252 -8.183 -5.368 1.00 53.51 H new ATOM 1011 N GLY A2075 8.344 -4.699 -1.271 1.00 44.13 N ATOM 1012 CA GLY A2075 9.215 -4.201 -0.222 1.00 3.04 C ATOM 1013 C GLY A2075 9.924 -2.917 -0.659 1.00 4.23 C ATOM 1014 O GLY A2075 9.955 -1.938 0.085 1.00 12.52 O ATOM 0 H GLY A2075 8.401 -5.705 -1.431 1.00 44.13 H new ATOM 0 HA2 GLY A2075 8.632 -4.010 0.679 1.00 3.04 H new ATOM 0 HA3 GLY A2075 9.955 -4.960 0.032 1.00 3.04 H new ATOM 1018 N ARG A2076 10.476 -2.964 -1.863 1.00 44.34 N ATOM 1019 CA ARG A2076 11.180 -1.817 -2.407 1.00 52.44 C ATOM 1020 C ARG A2076 10.202 -0.673 -2.681 1.00 53.13 C ATOM 1021 O ARG A2076 10.585 0.497 -2.653 1.00 63.51 O ATOM 1022 CB ARG A2076 11.903 -2.180 -3.706 1.00 23.22 C ATOM 1023 CG ARG A2076 13.287 -1.528 -3.764 1.00 34.31 C ATOM 1024 CD ARG A2076 13.487 -0.782 -5.085 1.00 2.30 C ATOM 1025 NE ARG A2076 14.539 -1.445 -5.886 1.00 4.12 N ATOM 1026 CZ ARG A2076 14.324 -2.510 -6.687 1.00 21.23 C ATOM 1027 NH1 ARG A2076 13.088 -3.043 -6.800 1.00 42.40 N ATOM 1028 NH2 ARG A2076 15.338 -3.022 -7.357 1.00 1.24 N ATOM 0 H ARG A2076 10.449 -3.779 -2.476 1.00 44.34 H new ATOM 0 HA ARG A2076 11.917 -1.501 -1.669 1.00 52.44 H new ATOM 0 HB2 ARG A2076 12.004 -3.263 -3.780 1.00 23.22 H new ATOM 0 HB3 ARG A2076 11.308 -1.856 -4.560 1.00 23.22 H new ATOM 0 HG2 ARG A2076 13.402 -0.835 -2.930 1.00 34.31 H new ATOM 0 HG3 ARG A2076 14.057 -2.291 -3.653 1.00 34.31 H new ATOM 0 HD2 ARG A2076 12.552 -0.760 -5.645 1.00 2.30 H new ATOM 0 HD3 ARG A2076 13.766 0.253 -4.889 1.00 2.30 H new ATOM 0 HE ARG A2076 15.487 -1.074 -5.829 1.00 4.12 H new ATOM 0 HH11 ARG A2076 12.309 -2.641 -6.278 1.00 42.40 H new ATOM 0 HH12 ARG A2076 12.933 -3.848 -7.407 1.00 42.40 H new ATOM 0 HH21 ARG A2076 16.268 -2.613 -7.266 1.00 1.24 H new ATOM 0 HH22 ARG A2076 15.192 -3.827 -7.967 1.00 1.24 H new ATOM 1040 N ASP A2077 8.958 -1.049 -2.937 1.00 50.25 N ATOM 1041 CA ASP A2077 7.921 -0.069 -3.214 1.00 15.24 C ATOM 1042 C ASP A2077 7.408 0.511 -1.894 1.00 24.31 C ATOM 1043 O ASP A2077 7.331 1.728 -1.735 1.00 53.33 O ATOM 1044 CB ASP A2077 6.737 -0.709 -3.942 1.00 14.21 C ATOM 1045 CG ASP A2077 7.053 -1.255 -5.335 1.00 1.01 C ATOM 1046 OD1 ASP A2077 7.549 -2.382 -5.480 1.00 25.01 O ATOM 1047 OD2 ASP A2077 6.767 -0.461 -6.311 1.00 71.01 O ATOM 0 H ASP A2077 8.644 -2.019 -2.959 1.00 50.25 H new ATOM 0 HA ASP A2077 8.352 0.709 -3.844 1.00 15.24 H new ATOM 0 HB2 ASP A2077 6.350 -1.523 -3.329 1.00 14.21 H new ATOM 0 HB3 ASP A2077 5.941 0.031 -4.030 1.00 14.21 H new ATOM 1053 N LEU A2078 7.069 -0.388 -0.981 1.00 0.15 N ATOM 1054 CA LEU A2078 6.565 0.019 0.318 1.00 11.01 C ATOM 1055 C LEU A2078 7.620 0.873 1.026 1.00 2.03 C ATOM 1056 O LEU A2078 7.292 1.880 1.649 1.00 33.15 O ATOM 1057 CB LEU A2078 6.119 -1.201 1.126 1.00 11.11 C ATOM 1058 CG LEU A2078 4.898 -1.951 0.588 1.00 22.13 C ATOM 1059 CD1 LEU A2078 4.234 -2.779 1.690 1.00 72.43 C ATOM 1060 CD2 LEU A2078 3.913 -0.990 -0.078 1.00 2.41 C ATOM 0 H LEU A2078 7.134 -1.397 -1.116 1.00 0.15 H new ATOM 0 HA LEU A2078 5.676 0.640 0.204 1.00 11.01 H new ATOM 0 HB2 LEU A2078 6.954 -1.899 1.183 1.00 11.11 H new ATOM 0 HB3 LEU A2078 5.903 -0.879 2.145 1.00 11.11 H new ATOM 0 HG LEU A2078 5.236 -2.647 -0.179 1.00 22.13 H new ATOM 0 HD11 LEU A2078 3.369 -3.302 1.281 1.00 72.43 H new ATOM 0 HD12 LEU A2078 4.947 -3.506 2.079 1.00 72.43 H new ATOM 0 HD13 LEU A2078 3.912 -2.120 2.496 1.00 72.43 H new ATOM 0 HD21 LEU A2078 3.055 -1.549 -0.451 1.00 2.41 H new ATOM 0 HD22 LEU A2078 3.576 -0.252 0.650 1.00 2.41 H new ATOM 0 HD23 LEU A2078 4.405 -0.483 -0.908 1.00 2.41 H new ATOM 1072 N MET A2079 8.866 0.437 0.904 1.00 43.13 N ATOM 1073 CA MET A2079 9.970 1.149 1.523 1.00 72.41 C ATOM 1074 C MET A2079 10.209 2.495 0.837 1.00 11.32 C ATOM 1075 O MET A2079 10.439 3.503 1.504 1.00 45.15 O ATOM 1076 CB MET A2079 11.239 0.298 1.434 1.00 73.02 C ATOM 1077 CG MET A2079 11.920 0.470 0.075 1.00 52.00 C ATOM 1078 SD MET A2079 13.461 -0.429 0.047 1.00 34.42 S ATOM 1079 CE MET A2079 14.211 0.196 1.542 1.00 2.34 C ATOM 0 H MET A2079 9.134 -0.400 0.386 1.00 43.13 H new ATOM 0 HA MET A2079 9.718 1.335 2.567 1.00 72.41 H new ATOM 0 HB2 MET A2079 11.928 0.582 2.229 1.00 73.02 H new ATOM 0 HB3 MET A2079 10.989 -0.752 1.589 1.00 73.02 H new ATOM 0 HG2 MET A2079 11.265 0.109 -0.718 1.00 52.00 H new ATOM 0 HG3 MET A2079 12.102 1.527 -0.118 1.00 52.00 H new ATOM 0 HE1 MET A2079 15.296 0.161 1.447 1.00 2.34 H new ATOM 0 HE2 MET A2079 13.894 1.226 1.705 1.00 2.34 H new ATOM 0 HE3 MET A2079 13.901 -0.417 2.388 1.00 2.34 H new ATOM 1089 N GLU A2080 10.147 2.469 -0.486 1.00 42.03 N ATOM 1090 CA GLU A2080 10.354 3.675 -1.270 1.00 63.51 C ATOM 1091 C GLU A2080 9.212 4.666 -1.029 1.00 23.04 C ATOM 1092 O GLU A2080 9.449 5.805 -0.630 1.00 24.53 O ATOM 1093 CB GLU A2080 10.490 3.345 -2.758 1.00 74.51 C ATOM 1094 CG GLU A2080 10.878 4.588 -3.561 1.00 72.53 C ATOM 1095 CD GLU A2080 12.091 4.310 -4.449 1.00 12.33 C ATOM 1096 OE1 GLU A2080 11.992 4.401 -5.680 1.00 2.42 O ATOM 1097 OE2 GLU A2080 13.169 3.992 -3.815 1.00 13.22 O ATOM 0 H GLU A2080 9.956 1.631 -1.035 1.00 42.03 H new ATOM 0 HA GLU A2080 11.286 4.139 -0.949 1.00 63.51 H new ATOM 0 HB2 GLU A2080 11.243 2.569 -2.895 1.00 74.51 H new ATOM 0 HB3 GLU A2080 9.548 2.944 -3.133 1.00 74.51 H new ATOM 0 HG2 GLU A2080 10.037 4.904 -4.177 1.00 72.53 H new ATOM 0 HG3 GLU A2080 11.102 5.410 -2.881 1.00 72.53 H new ATOM 1105 N ALA A2081 8.000 4.196 -1.281 1.00 1.25 N ATOM 1106 CA ALA A2081 6.821 5.026 -1.098 1.00 13.14 C ATOM 1107 C ALA A2081 6.802 5.565 0.334 1.00 42.24 C ATOM 1108 O ALA A2081 6.485 6.732 0.557 1.00 63.52 O ATOM 1109 CB ALA A2081 5.568 4.216 -1.434 1.00 24.13 C ATOM 0 H ALA A2081 7.808 3.250 -1.611 1.00 1.25 H new ATOM 0 HA ALA A2081 6.844 5.882 -1.773 1.00 13.14 H new ATOM 0 HB1 ALA A2081 4.684 4.839 -1.297 1.00 24.13 H new ATOM 0 HB2 ALA A2081 5.618 3.881 -2.470 1.00 24.13 H new ATOM 0 HB3 ALA A2081 5.507 3.350 -0.775 1.00 24.13 H new ATOM 1115 N GLN A2082 7.144 4.689 1.266 1.00 22.40 N ATOM 1116 CA GLN A2082 7.169 5.062 2.671 1.00 23.21 C ATOM 1117 C GLN A2082 8.094 6.260 2.885 1.00 1.25 C ATOM 1118 O GLN A2082 7.761 7.183 3.627 1.00 3.42 O ATOM 1119 CB GLN A2082 7.592 3.880 3.545 1.00 4.20 C ATOM 1120 CG GLN A2082 7.767 4.310 5.003 1.00 65.12 C ATOM 1121 CD GLN A2082 6.720 3.645 5.900 1.00 55.35 C ATOM 1122 OE1 GLN A2082 6.729 2.447 6.126 1.00 24.40 O ATOM 1123 NE2 GLN A2082 5.820 4.488 6.397 1.00 44.03 N ATOM 0 H GLN A2082 7.406 3.722 1.077 1.00 22.40 H new ATOM 0 HA GLN A2082 6.160 5.349 2.969 1.00 23.21 H new ATOM 0 HB2 GLN A2082 6.843 3.091 3.482 1.00 4.20 H new ATOM 0 HB3 GLN A2082 8.527 3.463 3.171 1.00 4.20 H new ATOM 0 HG2 GLN A2082 8.767 4.045 5.347 1.00 65.12 H new ATOM 0 HG3 GLN A2082 7.681 5.394 5.079 1.00 65.12 H new ATOM 0 HE21 GLN A2082 5.870 5.481 6.168 1.00 44.03 H new ATOM 0 HE22 GLN A2082 5.080 4.142 7.008 1.00 44.03 H new ATOM 1132 N GLU A2083 9.241 6.209 2.222 1.00 64.23 N ATOM 1133 CA GLU A2083 10.218 7.277 2.330 1.00 71.25 C ATOM 1134 C GLU A2083 9.653 8.575 1.746 1.00 72.12 C ATOM 1135 O GLU A2083 9.889 9.656 2.282 1.00 53.14 O ATOM 1136 CB GLU A2083 11.530 6.893 1.644 1.00 31.02 C ATOM 1137 CG GLU A2083 11.919 7.929 0.587 1.00 52.10 C ATOM 1138 CD GLU A2083 13.309 7.635 0.017 1.00 52.24 C ATOM 1139 OE1 GLU A2083 14.295 8.265 0.430 1.00 23.32 O ATOM 1140 OE2 GLU A2083 13.344 6.715 -0.886 1.00 2.14 O ATOM 0 H GLU A2083 9.515 5.442 1.607 1.00 64.23 H new ATOM 0 HA GLU A2083 10.433 7.440 3.386 1.00 71.25 H new ATOM 0 HB2 GLU A2083 12.323 6.811 2.387 1.00 31.02 H new ATOM 0 HB3 GLU A2083 11.428 5.913 1.178 1.00 31.02 H new ATOM 0 HG2 GLU A2083 11.184 7.926 -0.218 1.00 52.10 H new ATOM 0 HG3 GLU A2083 11.906 8.926 1.027 1.00 52.10 H new ATOM 1148 N TRP A2084 8.919 8.423 0.654 1.00 63.14 N ATOM 1149 CA TRP A2084 8.318 9.568 -0.008 1.00 44.33 C ATOM 1150 C TRP A2084 7.266 10.160 0.931 1.00 62.03 C ATOM 1151 O TRP A2084 7.073 11.375 0.966 1.00 5.13 O ATOM 1152 CB TRP A2084 7.746 9.175 -1.372 1.00 53.01 C ATOM 1153 CG TRP A2084 8.809 8.815 -2.413 1.00 73.20 C ATOM 1154 CD1 TRP A2084 9.173 7.597 -2.833 1.00 71.11 C ATOM 1155 CD2 TRP A2084 9.636 9.740 -3.150 1.00 74.10 C ATOM 1156 NE1 TRP A2084 10.170 7.667 -3.785 1.00 43.22 N ATOM 1157 CE2 TRP A2084 10.461 9.012 -3.984 1.00 71.15 C ATOM 1158 CE3 TRP A2084 9.684 11.144 -3.115 1.00 15.33 C ATOM 1159 CZ2 TRP A2084 11.394 9.603 -4.844 1.00 4.02 C ATOM 1160 CZ3 TRP A2084 10.624 11.719 -3.981 1.00 74.23 C ATOM 1161 CH2 TRP A2084 11.461 11.001 -4.826 1.00 32.12 C ATOM 0 H TRP A2084 8.727 7.525 0.211 1.00 63.14 H new ATOM 0 HA TRP A2084 9.069 10.330 -0.215 1.00 44.33 H new ATOM 0 HB2 TRP A2084 7.077 8.325 -1.242 1.00 53.01 H new ATOM 0 HB3 TRP A2084 7.144 10.000 -1.753 1.00 53.01 H new ATOM 0 HD1 TRP A2084 8.741 6.675 -2.472 1.00 71.11 H new ATOM 0 HE1 TRP A2084 10.612 6.877 -4.256 1.00 43.22 H new ATOM 0 HE3 TRP A2084 9.047 11.733 -2.472 1.00 15.33 H new ATOM 0 HZ2 TRP A2084 12.029 9.012 -5.487 1.00 4.02 H new ATOM 0 HZ3 TRP A2084 10.703 12.796 -3.992 1.00 74.23 H new ATOM 0 HH2 TRP A2084 12.160 11.519 -5.466 1.00 32.12 H new ATOM 1172 N CYS A2085 6.612 9.276 1.672 1.00 64.10 N ATOM 1173 CA CYS A2085 5.587 9.695 2.609 1.00 73.31 C ATOM 1174 C CYS A2085 6.229 10.625 3.640 1.00 70.45 C ATOM 1175 O CYS A2085 5.782 11.755 3.827 1.00 31.23 O ATOM 1176 CB CYS A2085 4.899 8.499 3.269 1.00 32.25 C ATOM 1177 SG CYS A2085 3.967 9.047 4.745 1.00 74.45 S ATOM 0 H CYS A2085 6.774 8.269 1.641 1.00 64.10 H new ATOM 0 HA CYS A2085 4.802 10.232 2.076 1.00 73.31 H new ATOM 0 HB2 CYS A2085 4.224 8.021 2.560 1.00 32.25 H new ATOM 0 HB3 CYS A2085 5.642 7.754 3.554 1.00 32.25 H new ATOM 0 HG CYS A2085 2.708 9.167 4.444 1.00 74.45 H new ATOM 1183 N ARG A2086 7.268 10.114 4.285 1.00 1.54 N ATOM 1184 CA ARG A2086 7.978 10.883 5.294 1.00 3.51 C ATOM 1185 C ARG A2086 8.485 12.198 4.696 1.00 2.33 C ATOM 1186 O ARG A2086 8.568 13.208 5.394 1.00 3.25 O ATOM 1187 CB ARG A2086 9.163 10.095 5.855 1.00 64.15 C ATOM 1188 CG ARG A2086 8.755 9.312 7.106 1.00 15.44 C ATOM 1189 CD ARG A2086 8.094 7.985 6.730 1.00 61.24 C ATOM 1190 NE ARG A2086 6.967 7.701 7.647 1.00 15.40 N ATOM 1191 CZ ARG A2086 7.108 7.480 8.972 1.00 5.01 C ATOM 1192 NH1 ARG A2086 8.328 7.505 9.545 1.00 35.43 N ATOM 1193 NH2 ARG A2086 6.031 7.236 9.696 1.00 75.23 N ATOM 0 H ARG A2086 7.636 9.176 4.128 1.00 1.54 H new ATOM 0 HA ARG A2086 7.280 11.092 6.105 1.00 3.51 H new ATOM 0 HB2 ARG A2086 9.539 9.408 5.097 1.00 64.15 H new ATOM 0 HB3 ARG A2086 9.977 10.778 6.098 1.00 64.15 H new ATOM 0 HG2 ARG A2086 9.633 9.123 7.724 1.00 15.44 H new ATOM 0 HG3 ARG A2086 8.067 9.909 7.705 1.00 15.44 H new ATOM 0 HD2 ARG A2086 7.735 8.027 5.702 1.00 61.24 H new ATOM 0 HD3 ARG A2086 8.825 7.178 6.779 1.00 61.24 H new ATOM 0 HE ARG A2086 6.026 7.670 7.254 1.00 15.40 H new ATOM 0 HH11 ARG A2086 9.154 7.692 8.977 1.00 35.43 H new ATOM 0 HH12 ARG A2086 8.425 7.337 10.546 1.00 35.43 H new ATOM 0 HH21 ARG A2086 5.112 7.217 9.253 1.00 75.23 H new ATOM 0 HH22 ARG A2086 6.118 7.067 10.698 1.00 75.23 H new ATOM 1205 N LYS A2087 8.812 12.142 3.414 1.00 25.11 N ATOM 1206 CA LYS A2087 9.309 13.314 2.715 1.00 73.42 C ATOM 1207 C LYS A2087 8.238 14.407 2.736 1.00 55.12 C ATOM 1208 O LYS A2087 8.519 15.551 3.089 1.00 13.34 O ATOM 1209 CB LYS A2087 9.780 12.941 1.308 1.00 73.05 C ATOM 1210 CG LYS A2087 11.255 12.533 1.314 1.00 61.25 C ATOM 1211 CD LYS A2087 11.734 12.187 -0.096 1.00 41.01 C ATOM 1212 CE LYS A2087 12.643 10.956 -0.079 1.00 42.20 C ATOM 1213 NZ LYS A2087 13.910 11.241 -0.788 1.00 2.32 N ATOM 0 H LYS A2087 8.742 11.302 2.840 1.00 25.11 H new ATOM 0 HA LYS A2087 10.186 13.716 3.222 1.00 73.42 H new ATOM 0 HB2 LYS A2087 9.174 12.121 0.923 1.00 73.05 H new ATOM 0 HB3 LYS A2087 9.636 13.787 0.636 1.00 73.05 H new ATOM 0 HG2 LYS A2087 11.859 13.346 1.718 1.00 61.25 H new ATOM 0 HG3 LYS A2087 11.396 11.674 1.971 1.00 61.25 H new ATOM 0 HD2 LYS A2087 10.875 12.000 -0.740 1.00 41.01 H new ATOM 0 HD3 LYS A2087 12.272 13.035 -0.520 1.00 41.01 H new ATOM 0 HE2 LYS A2087 12.852 10.665 0.950 1.00 42.20 H new ATOM 0 HE3 LYS A2087 12.136 10.115 -0.551 1.00 42.20 H new ATOM 0 HZ1 LYS A2087 14.517 10.396 -0.768 1.00 2.32 H new ATOM 0 HZ2 LYS A2087 13.705 11.497 -1.775 1.00 2.32 H new ATOM 0 HZ3 LYS A2087 14.400 12.030 -0.320 1.00 2.32 H new ATOM 1226 N TYR A2088 7.032 14.016 2.354 1.00 14.11 N ATOM 1227 CA TYR A2088 5.918 14.948 2.322 1.00 51.03 C ATOM 1228 C TYR A2088 5.451 15.291 3.740 1.00 11.32 C ATOM 1229 O TYR A2088 4.988 16.403 3.991 1.00 33.03 O ATOM 1230 CB TYR A2088 4.785 14.228 1.588 1.00 21.25 C ATOM 1231 CG TYR A2088 3.389 14.750 1.932 1.00 50.13 C ATOM 1232 CD1 TYR A2088 2.857 15.813 1.231 1.00 1.21 C ATOM 1233 CD2 TYR A2088 2.660 14.158 2.943 1.00 23.34 C ATOM 1234 CE1 TYR A2088 1.542 16.303 1.555 1.00 34.41 C ATOM 1235 CE2 TYR A2088 1.346 14.648 3.268 1.00 61.41 C ATOM 1236 CZ TYR A2088 0.852 15.697 2.557 1.00 34.13 C ATOM 1237 OH TYR A2088 -0.390 16.160 2.864 1.00 1.44 O ATOM 0 H TYR A2088 6.801 13.066 2.064 1.00 14.11 H new ATOM 0 HA TYR A2088 6.209 15.877 1.832 1.00 51.03 H new ATOM 0 HB2 TYR A2088 4.943 14.324 0.514 1.00 21.25 H new ATOM 0 HB3 TYR A2088 4.832 13.165 1.823 1.00 21.25 H new ATOM 0 HD1 TYR A2088 3.427 16.277 0.440 1.00 1.21 H new ATOM 0 HD2 TYR A2088 3.076 13.326 3.491 1.00 23.34 H new ATOM 0 HE1 TYR A2088 1.114 17.134 1.014 1.00 34.41 H new ATOM 0 HE2 TYR A2088 0.766 14.193 4.058 1.00 61.41 H new ATOM 0 HH TYR A2088 -0.808 16.533 2.060 1.00 1.44 H new ATOM 1247 N MET A2089 5.591 14.319 4.627 1.00 2.31 N ATOM 1248 CA MET A2089 5.190 14.504 6.011 1.00 22.23 C ATOM 1249 C MET A2089 6.088 15.529 6.708 1.00 75.33 C ATOM 1250 O MET A2089 5.617 16.309 7.536 1.00 4.22 O ATOM 1251 CB MET A2089 5.273 13.168 6.750 1.00 23.03 C ATOM 1252 CG MET A2089 4.162 12.220 6.295 1.00 22.23 C ATOM 1253 SD MET A2089 3.412 11.431 7.711 1.00 5.44 S ATOM 1254 CE MET A2089 1.687 11.595 7.278 1.00 14.12 C ATOM 0 H MET A2089 5.977 13.399 4.415 1.00 2.31 H new ATOM 0 HA MET A2089 4.165 14.874 6.027 1.00 22.23 H new ATOM 0 HB2 MET A2089 6.245 12.708 6.570 1.00 23.03 H new ATOM 0 HB3 MET A2089 5.195 13.337 7.824 1.00 23.03 H new ATOM 0 HG2 MET A2089 3.408 12.773 5.735 1.00 22.23 H new ATOM 0 HG3 MET A2089 4.570 11.466 5.622 1.00 22.23 H new ATOM 0 HE1 MET A2089 1.180 12.203 8.027 1.00 14.12 H new ATOM 0 HE2 MET A2089 1.601 12.074 6.303 1.00 14.12 H new ATOM 0 HE3 MET A2089 1.226 10.608 7.240 1.00 14.12 H new ATOM 1264 N LYS A2090 7.363 15.493 6.349 1.00 0.33 N ATOM 1265 CA LYS A2090 8.328 16.411 6.929 1.00 22.44 C ATOM 1266 C LYS A2090 8.507 17.612 5.999 1.00 54.12 C ATOM 1267 O LYS A2090 8.304 18.754 6.411 1.00 33.10 O ATOM 1268 CB LYS A2090 9.635 15.680 7.248 1.00 4.24 C ATOM 1269 CG LYS A2090 9.917 15.690 8.751 1.00 42.43 C ATOM 1270 CD LYS A2090 10.175 17.112 9.251 1.00 53.12 C ATOM 1271 CE LYS A2090 9.240 17.467 10.409 1.00 5.15 C ATOM 1272 NZ LYS A2090 9.610 18.774 10.994 1.00 5.33 N ATOM 0 H LYS A2090 7.750 14.843 5.664 1.00 0.33 H new ATOM 0 HA LYS A2090 7.963 16.797 7.881 1.00 22.44 H new ATOM 0 HB2 LYS A2090 9.576 14.651 6.892 1.00 4.24 H new ATOM 0 HB3 LYS A2090 10.460 16.154 6.717 1.00 4.24 H new ATOM 0 HG2 LYS A2090 9.070 15.261 9.286 1.00 42.43 H new ATOM 0 HG3 LYS A2090 10.782 15.062 8.967 1.00 42.43 H new ATOM 0 HD2 LYS A2090 11.212 17.204 9.575 1.00 53.12 H new ATOM 0 HD3 LYS A2090 10.032 17.820 8.434 1.00 53.12 H new ATOM 0 HE2 LYS A2090 8.210 17.499 10.055 1.00 5.15 H new ATOM 0 HE3 LYS A2090 9.290 16.693 11.174 1.00 5.15 H new ATOM 0 HZ1 LYS A2090 8.965 18.998 11.778 1.00 5.33 H new ATOM 0 HZ2 LYS A2090 10.586 18.731 11.350 1.00 5.33 H new ATOM 0 HZ3 LYS A2090 9.540 19.513 10.265 1.00 5.33 H new ATOM 1285 N SER A2091 8.884 17.316 4.765 1.00 71.14 N ATOM 1286 CA SER A2091 9.091 18.358 3.776 1.00 51.10 C ATOM 1287 C SER A2091 7.776 19.091 3.504 1.00 15.31 C ATOM 1288 O SER A2091 7.658 20.285 3.779 1.00 32.35 O ATOM 1289 CB SER A2091 9.654 17.779 2.476 1.00 63.25 C ATOM 1290 OG SER A2091 10.389 18.748 1.733 1.00 13.01 O ATOM 0 H SER A2091 9.052 16.368 4.427 1.00 71.14 H new ATOM 0 HA SER A2091 9.819 19.066 4.173 1.00 51.10 H new ATOM 0 HB2 SER A2091 10.301 16.932 2.707 1.00 63.25 H new ATOM 0 HB3 SER A2091 8.836 17.398 1.865 1.00 63.25 H new ATOM 0 HG SER A2091 10.733 18.339 0.912 1.00 13.01 H new ATOM 1296 N GLY A2092 6.821 18.347 2.966 1.00 55.12 N ATOM 1297 CA GLY A2092 5.518 18.912 2.655 1.00 52.21 C ATOM 1298 C GLY A2092 5.406 19.242 1.165 1.00 22.34 C ATOM 1299 O GLY A2092 5.518 20.402 0.773 1.00 4.55 O ATOM 0 H GLY A2092 6.923 17.358 2.737 1.00 55.12 H new ATOM 0 HA2 GLY A2092 4.735 18.207 2.935 1.00 52.21 H new ATOM 0 HA3 GLY A2092 5.359 19.815 3.244 1.00 52.21 H new ATOM 1303 N ASN A2093 5.187 18.201 0.377 1.00 61.13 N ATOM 1304 CA ASN A2093 5.058 18.365 -1.061 1.00 62.22 C ATOM 1305 C ASN A2093 4.116 17.291 -1.611 1.00 52.31 C ATOM 1306 O ASN A2093 4.411 16.099 -1.525 1.00 41.45 O ATOM 1307 CB ASN A2093 6.411 18.207 -1.759 1.00 35.24 C ATOM 1308 CG ASN A2093 6.789 19.480 -2.518 1.00 52.13 C ATOM 1309 OD1 ASN A2093 5.991 20.068 -3.229 1.00 61.42 O ATOM 1310 ND2 ASN A2093 8.045 19.872 -2.329 1.00 21.04 N ATOM 0 H ASN A2093 5.095 17.240 0.707 1.00 61.13 H new ATOM 0 HA ASN A2093 4.669 19.365 -1.251 1.00 62.22 H new ATOM 0 HB2 ASN A2093 7.180 17.977 -1.021 1.00 35.24 H new ATOM 0 HB3 ASN A2093 6.371 17.365 -2.451 1.00 35.24 H new ATOM 0 HD21 ASN A2093 8.393 20.711 -2.793 1.00 21.04 H new ATOM 0 HD22 ASN A2093 8.661 19.333 -1.720 1.00 21.04 H new ATOM 1317 N VAL A2094 3.003 17.751 -2.164 1.00 30.44 N ATOM 1318 CA VAL A2094 2.017 16.845 -2.727 1.00 15.20 C ATOM 1319 C VAL A2094 2.693 15.941 -3.761 1.00 51.51 C ATOM 1320 O VAL A2094 2.344 14.768 -3.887 1.00 10.35 O ATOM 1321 CB VAL A2094 0.844 17.641 -3.303 1.00 12.33 C ATOM 1322 CG1 VAL A2094 0.126 16.844 -4.394 1.00 41.35 C ATOM 1323 CG2 VAL A2094 -0.128 18.061 -2.201 1.00 55.23 C ATOM 0 H VAL A2094 2.763 18.740 -2.234 1.00 30.44 H new ATOM 0 HA VAL A2094 1.604 16.199 -1.952 1.00 15.20 H new ATOM 0 HB VAL A2094 1.244 18.547 -3.758 1.00 12.33 H new ATOM 0 HG11 VAL A2094 -0.704 17.431 -4.787 1.00 41.35 H new ATOM 0 HG12 VAL A2094 0.825 16.618 -5.199 1.00 41.35 H new ATOM 0 HG13 VAL A2094 -0.255 15.914 -3.973 1.00 41.35 H new ATOM 0 HG21 VAL A2094 -0.952 18.625 -2.638 1.00 55.23 H new ATOM 0 HG22 VAL A2094 -0.519 17.174 -1.703 1.00 55.23 H new ATOM 0 HG23 VAL A2094 0.393 18.684 -1.474 1.00 55.23 H new ATOM 1333 N LYS A2095 3.646 16.522 -4.475 1.00 2.01 N ATOM 1334 CA LYS A2095 4.373 15.783 -5.493 1.00 54.34 C ATOM 1335 C LYS A2095 4.872 14.464 -4.901 1.00 53.54 C ATOM 1336 O LYS A2095 4.644 13.398 -5.471 1.00 50.31 O ATOM 1337 CB LYS A2095 5.484 16.650 -6.091 1.00 33.52 C ATOM 1338 CG LYS A2095 5.812 16.210 -7.520 1.00 73.33 C ATOM 1339 CD LYS A2095 7.006 16.992 -8.071 1.00 4.13 C ATOM 1340 CE LYS A2095 8.298 16.183 -7.938 1.00 13.30 C ATOM 1341 NZ LYS A2095 8.312 15.062 -8.905 1.00 70.11 N ATOM 0 H LYS A2095 3.931 17.495 -4.369 1.00 2.01 H new ATOM 0 HA LYS A2095 3.715 15.530 -6.324 1.00 54.34 H new ATOM 0 HB2 LYS A2095 5.175 17.695 -6.090 1.00 33.52 H new ATOM 0 HB3 LYS A2095 6.378 16.581 -5.471 1.00 33.52 H new ATOM 0 HG2 LYS A2095 6.033 15.143 -7.535 1.00 73.33 H new ATOM 0 HG3 LYS A2095 4.944 16.364 -8.161 1.00 73.33 H new ATOM 0 HD2 LYS A2095 6.832 17.238 -9.119 1.00 4.13 H new ATOM 0 HD3 LYS A2095 7.106 17.936 -7.535 1.00 4.13 H new ATOM 0 HE2 LYS A2095 9.158 16.830 -8.110 1.00 13.30 H new ATOM 0 HE3 LYS A2095 8.389 15.796 -6.923 1.00 13.30 H new ATOM 0 HZ1 LYS A2095 9.292 14.750 -9.060 1.00 70.11 H new ATOM 0 HZ2 LYS A2095 7.752 14.271 -8.528 1.00 70.11 H new ATOM 0 HZ3 LYS A2095 7.902 15.377 -9.807 1.00 70.11 H new ATOM 1354 N ASP A2096 5.543 14.579 -3.765 1.00 1.24 N ATOM 1355 CA ASP A2096 6.078 13.406 -3.090 1.00 72.24 C ATOM 1356 C ASP A2096 4.921 12.513 -2.639 1.00 71.35 C ATOM 1357 O ASP A2096 5.022 11.288 -2.686 1.00 15.12 O ATOM 1358 CB ASP A2096 6.879 13.805 -1.850 1.00 13.33 C ATOM 1359 CG ASP A2096 7.826 14.990 -2.045 1.00 62.13 C ATOM 1360 OD1 ASP A2096 8.151 15.370 -3.180 1.00 21.11 O ATOM 1361 OD2 ASP A2096 8.240 15.542 -0.954 1.00 3.01 O ATOM 0 H ASP A2096 5.729 15.465 -3.294 1.00 1.24 H new ATOM 0 HA ASP A2096 6.730 12.881 -3.788 1.00 72.24 H new ATOM 0 HB2 ASP A2096 6.182 14.045 -1.047 1.00 13.33 H new ATOM 0 HB3 ASP A2096 7.461 12.945 -1.520 1.00 13.33 H new ATOM 1367 N LEU A2097 3.846 13.161 -2.212 1.00 44.32 N ATOM 1368 CA LEU A2097 2.671 12.441 -1.752 1.00 52.03 C ATOM 1369 C LEU A2097 2.083 11.639 -2.915 1.00 63.11 C ATOM 1370 O LEU A2097 1.762 10.460 -2.762 1.00 73.33 O ATOM 1371 CB LEU A2097 1.675 13.400 -1.100 1.00 41.45 C ATOM 1372 CG LEU A2097 0.273 12.842 -0.847 1.00 65.41 C ATOM 1373 CD1 LEU A2097 0.339 11.390 -0.366 1.00 61.24 C ATOM 1374 CD2 LEU A2097 -0.506 13.733 0.124 1.00 1.20 C ATOM 0 H LEU A2097 3.765 14.177 -2.175 1.00 44.32 H new ATOM 0 HA LEU A2097 2.942 11.726 -0.975 1.00 52.03 H new ATOM 0 HB2 LEU A2097 2.090 13.731 -0.148 1.00 41.45 H new ATOM 0 HB3 LEU A2097 1.584 14.283 -1.732 1.00 41.45 H new ATOM 0 HG LEU A2097 -0.271 12.844 -1.792 1.00 65.41 H new ATOM 0 HD11 LEU A2097 -0.671 11.018 -0.194 1.00 61.24 H new ATOM 0 HD12 LEU A2097 0.827 10.777 -1.124 1.00 61.24 H new ATOM 0 HD13 LEU A2097 0.908 11.340 0.563 1.00 61.24 H new ATOM 0 HD21 LEU A2097 -1.499 13.313 0.286 1.00 1.20 H new ATOM 0 HD22 LEU A2097 0.025 13.787 1.074 1.00 1.20 H new ATOM 0 HD23 LEU A2097 -0.600 14.734 -0.296 1.00 1.20 H new ATOM 1386 N THR A2098 1.958 12.310 -4.050 1.00 4.02 N ATOM 1387 CA THR A2098 1.413 11.673 -5.239 1.00 13.31 C ATOM 1388 C THR A2098 2.257 10.458 -5.628 1.00 14.15 C ATOM 1389 O THR A2098 1.719 9.410 -5.979 1.00 64.42 O ATOM 1390 CB THR A2098 1.326 12.729 -6.341 1.00 4.30 C ATOM 1391 OG1 THR A2098 0.256 13.576 -5.929 1.00 70.45 O ATOM 1392 CG2 THR A2098 0.847 12.148 -7.674 1.00 73.12 C ATOM 0 H THR A2098 2.224 13.287 -4.173 1.00 4.02 H new ATOM 0 HA THR A2098 0.410 11.287 -5.057 1.00 13.31 H new ATOM 0 HB THR A2098 2.304 13.191 -6.476 1.00 4.30 H new ATOM 0 HG1 THR A2098 0.573 14.188 -5.232 1.00 70.45 H new ATOM 0 HG21 THR A2098 0.803 12.940 -8.421 1.00 73.12 H new ATOM 0 HG22 THR A2098 1.541 11.375 -8.004 1.00 73.12 H new ATOM 0 HG23 THR A2098 -0.145 11.714 -7.546 1.00 73.12 H new ATOM 1400 N GLN A2099 3.569 10.640 -5.552 1.00 1.11 N ATOM 1401 CA GLN A2099 4.492 9.570 -5.891 1.00 12.42 C ATOM 1402 C GLN A2099 4.259 8.359 -4.987 1.00 1.13 C ATOM 1403 O GLN A2099 4.232 7.223 -5.459 1.00 71.45 O ATOM 1404 CB GLN A2099 5.942 10.050 -5.804 1.00 34.42 C ATOM 1405 CG GLN A2099 6.623 9.997 -7.173 1.00 73.12 C ATOM 1406 CD GLN A2099 7.774 8.988 -7.173 1.00 22.25 C ATOM 1407 OE1 GLN A2099 8.760 9.132 -6.469 1.00 31.11 O ATOM 1408 NE2 GLN A2099 7.594 7.963 -8.002 1.00 72.51 N ATOM 0 H GLN A2099 4.013 11.511 -5.261 1.00 1.11 H new ATOM 0 HA GLN A2099 4.305 9.268 -6.922 1.00 12.42 H new ATOM 0 HB2 GLN A2099 5.968 11.070 -5.421 1.00 34.42 H new ATOM 0 HB3 GLN A2099 6.492 9.429 -5.097 1.00 34.42 H new ATOM 0 HG2 GLN A2099 5.894 9.723 -7.936 1.00 73.12 H new ATOM 0 HG3 GLN A2099 7.001 10.986 -7.434 1.00 73.12 H new ATOM 0 HE21 GLN A2099 6.744 7.904 -8.563 1.00 72.51 H new ATOM 0 HE22 GLN A2099 8.306 7.236 -8.076 1.00 72.51 H new ATOM 1417 N ALA A2100 4.096 8.643 -3.704 1.00 23.53 N ATOM 1418 CA ALA A2100 3.865 7.591 -2.727 1.00 34.14 C ATOM 1419 C ALA A2100 2.565 6.860 -3.068 1.00 11.40 C ATOM 1420 O ALA A2100 2.485 5.638 -2.954 1.00 71.21 O ATOM 1421 CB ALA A2100 3.844 8.193 -1.321 1.00 32.41 C ATOM 0 H ALA A2100 4.119 9.587 -3.317 1.00 23.53 H new ATOM 0 HA ALA A2100 4.672 6.859 -2.755 1.00 34.14 H new ATOM 0 HB1 ALA A2100 3.671 7.403 -0.590 1.00 32.41 H new ATOM 0 HB2 ALA A2100 4.801 8.673 -1.117 1.00 32.41 H new ATOM 0 HB3 ALA A2100 3.045 8.932 -1.253 1.00 32.41 H new ATOM 1427 N TRP A2101 1.577 7.641 -3.481 1.00 51.45 N ATOM 1428 CA TRP A2101 0.283 7.085 -3.838 1.00 53.21 C ATOM 1429 C TRP A2101 0.459 6.264 -5.118 1.00 33.14 C ATOM 1430 O TRP A2101 -0.252 5.285 -5.334 1.00 5.01 O ATOM 1431 CB TRP A2101 -0.770 8.187 -3.976 1.00 62.22 C ATOM 1432 CG TRP A2101 -1.880 8.121 -2.925 1.00 12.04 C ATOM 1433 CD1 TRP A2101 -2.185 9.029 -1.989 1.00 33.30 C ATOM 1434 CD2 TRP A2101 -2.827 7.047 -2.743 1.00 2.54 C ATOM 1435 NE1 TRP A2101 -3.255 8.622 -1.217 1.00 21.24 N ATOM 1436 CE2 TRP A2101 -3.658 7.378 -1.692 1.00 15.00 C ATOM 1437 CE3 TRP A2101 -2.978 5.837 -3.441 1.00 2.52 C ATOM 1438 CZ2 TRP A2101 -4.697 6.553 -1.245 1.00 12.33 C ATOM 1439 CZ3 TRP A2101 -4.020 5.022 -2.985 1.00 34.41 C ATOM 1440 CH2 TRP A2101 -4.866 5.341 -1.928 1.00 35.24 C ATOM 0 H TRP A2101 1.647 8.654 -3.576 1.00 51.45 H new ATOM 0 HA TRP A2101 -0.085 6.429 -3.049 1.00 53.21 H new ATOM 0 HB2 TRP A2101 -0.277 9.157 -3.909 1.00 62.22 H new ATOM 0 HB3 TRP A2101 -1.218 8.125 -4.968 1.00 62.22 H new ATOM 0 HD1 TRP A2101 -1.660 9.963 -1.855 1.00 33.30 H new ATOM 0 HE1 TRP A2101 -3.672 9.138 -0.442 1.00 21.24 H new ATOM 0 HE3 TRP A2101 -2.339 5.558 -4.266 1.00 2.52 H new ATOM 0 HZ2 TRP A2101 -5.333 6.835 -0.419 1.00 12.33 H new ATOM 0 HZ3 TRP A2101 -4.178 4.080 -3.489 1.00 34.41 H new ATOM 0 HH2 TRP A2101 -5.649 4.658 -1.635 1.00 35.24 H new ATOM 1451 N ASP A2102 1.411 6.695 -5.932 1.00 34.52 N ATOM 1452 CA ASP A2102 1.690 6.011 -7.185 1.00 74.34 C ATOM 1453 C ASP A2102 2.338 4.658 -6.888 1.00 10.24 C ATOM 1454 O ASP A2102 1.902 3.630 -7.405 1.00 11.30 O ATOM 1455 CB ASP A2102 2.659 6.821 -8.048 1.00 22.00 C ATOM 1456 CG ASP A2102 2.288 6.906 -9.531 1.00 63.52 C ATOM 1457 OD1 ASP A2102 1.848 5.916 -10.136 1.00 12.31 O ATOM 1458 OD2 ASP A2102 2.465 8.062 -10.073 1.00 73.41 O ATOM 0 H ASP A2102 1.999 7.508 -5.750 1.00 34.52 H new ATOM 0 HA ASP A2102 0.748 5.886 -7.720 1.00 74.34 H new ATOM 0 HB2 ASP A2102 2.722 7.832 -7.646 1.00 22.00 H new ATOM 0 HB3 ASP A2102 3.653 6.382 -7.962 1.00 22.00 H new ATOM 1464 N LEU A2103 3.369 4.700 -6.058 1.00 13.03 N ATOM 1465 CA LEU A2103 4.081 3.489 -5.688 1.00 15.33 C ATOM 1466 C LEU A2103 3.090 2.471 -5.123 1.00 64.04 C ATOM 1467 O LEU A2103 3.053 1.324 -5.567 1.00 31.14 O ATOM 1468 CB LEU A2103 5.235 3.817 -4.734 1.00 4.15 C ATOM 1469 CG LEU A2103 6.290 4.787 -5.267 1.00 11.45 C ATOM 1470 CD1 LEU A2103 7.018 5.489 -4.121 1.00 13.11 C ATOM 1471 CD2 LEU A2103 7.262 4.076 -6.213 1.00 23.11 C ATOM 0 H LEU A2103 3.729 5.554 -5.631 1.00 13.03 H new ATOM 0 HA LEU A2103 4.540 3.034 -6.566 1.00 15.33 H new ATOM 0 HB2 LEU A2103 4.816 4.234 -3.818 1.00 4.15 H new ATOM 0 HB3 LEU A2103 5.731 2.885 -4.462 1.00 4.15 H new ATOM 0 HG LEU A2103 5.782 5.558 -5.847 1.00 11.45 H new ATOM 0 HD11 LEU A2103 7.763 6.173 -4.528 1.00 13.11 H new ATOM 0 HD12 LEU A2103 6.300 6.049 -3.522 1.00 13.11 H new ATOM 0 HD13 LEU A2103 7.512 4.746 -3.494 1.00 13.11 H new ATOM 0 HD21 LEU A2103 8.002 4.789 -6.578 1.00 23.11 H new ATOM 0 HD22 LEU A2103 7.766 3.271 -5.679 1.00 23.11 H new ATOM 0 HD23 LEU A2103 6.711 3.662 -7.057 1.00 23.11 H new ATOM 1483 N TYR A2104 2.308 2.926 -4.155 1.00 24.24 N ATOM 1484 CA TYR A2104 1.317 2.069 -3.528 1.00 15.13 C ATOM 1485 C TYR A2104 0.402 1.431 -4.574 1.00 24.32 C ATOM 1486 O TYR A2104 0.285 0.207 -4.639 1.00 64.40 O ATOM 1487 CB TYR A2104 0.483 2.979 -2.624 1.00 54.31 C ATOM 1488 CG TYR A2104 1.250 3.538 -1.424 1.00 21.11 C ATOM 1489 CD1 TYR A2104 2.266 2.801 -0.850 1.00 43.45 C ATOM 1490 CD2 TYR A2104 0.927 4.780 -0.915 1.00 41.14 C ATOM 1491 CE1 TYR A2104 2.989 3.326 0.279 1.00 45.43 C ATOM 1492 CE2 TYR A2104 1.648 5.305 0.213 1.00 12.31 C ATOM 1493 CZ TYR A2104 2.643 4.552 0.754 1.00 71.41 C ATOM 1494 OH TYR A2104 3.326 5.048 1.822 1.00 43.05 O ATOM 0 H TYR A2104 2.341 3.878 -3.790 1.00 24.24 H new ATOM 0 HA TYR A2104 1.801 1.263 -2.977 1.00 15.13 H new ATOM 0 HB2 TYR A2104 0.100 3.810 -3.216 1.00 54.31 H new ATOM 0 HB3 TYR A2104 -0.381 2.421 -2.262 1.00 54.31 H new ATOM 0 HD1 TYR A2104 2.519 1.829 -1.248 1.00 43.45 H new ATOM 0 HD2 TYR A2104 0.133 5.358 -1.364 1.00 41.14 H new ATOM 0 HE1 TYR A2104 3.786 2.760 0.737 1.00 45.43 H new ATOM 0 HE2 TYR A2104 1.405 6.275 0.621 1.00 12.31 H new ATOM 0 HH TYR A2104 2.974 5.933 2.053 1.00 43.05 H new ATOM 1504 N TYR A2105 -0.224 2.288 -5.368 1.00 62.34 N ATOM 1505 CA TYR A2105 -1.125 1.823 -6.409 1.00 62.24 C ATOM 1506 C TYR A2105 -0.469 0.728 -7.253 1.00 54.44 C ATOM 1507 O TYR A2105 -1.132 -0.220 -7.669 1.00 41.34 O ATOM 1508 CB TYR A2105 -1.406 3.037 -7.297 1.00 13.21 C ATOM 1509 CG TYR A2105 -2.811 3.053 -7.902 1.00 23.14 C ATOM 1510 CD1 TYR A2105 -3.398 1.874 -8.314 1.00 73.25 C ATOM 1511 CD2 TYR A2105 -3.489 4.247 -8.037 1.00 64.23 C ATOM 1512 CE1 TYR A2105 -4.720 1.891 -8.882 1.00 44.42 C ATOM 1513 CE2 TYR A2105 -4.813 4.263 -8.608 1.00 12.12 C ATOM 1514 CZ TYR A2105 -5.362 3.084 -9.002 1.00 24.40 C ATOM 1515 OH TYR A2105 -6.611 3.098 -9.539 1.00 3.54 O ATOM 0 H TYR A2105 -0.125 3.302 -5.311 1.00 62.34 H new ATOM 0 HA TYR A2105 -2.033 1.406 -5.973 1.00 62.24 H new ATOM 0 HB2 TYR A2105 -1.264 3.944 -6.710 1.00 13.21 H new ATOM 0 HB3 TYR A2105 -0.674 3.061 -8.104 1.00 13.21 H new ATOM 0 HD1 TYR A2105 -2.866 0.940 -8.210 1.00 73.25 H new ATOM 0 HD2 TYR A2105 -3.028 5.169 -7.715 1.00 64.23 H new ATOM 0 HE1 TYR A2105 -5.193 0.976 -9.206 1.00 44.42 H new ATOM 0 HE2 TYR A2105 -5.356 5.190 -8.720 1.00 12.12 H new ATOM 0 HH TYR A2105 -6.947 4.018 -9.562 1.00 3.54 H new ATOM 1525 N HIS A2106 0.824 0.896 -7.481 1.00 32.25 N ATOM 1526 CA HIS A2106 1.576 -0.066 -8.270 1.00 33.42 C ATOM 1527 C HIS A2106 1.518 -1.438 -7.596 1.00 63.14 C ATOM 1528 O HIS A2106 1.223 -2.438 -8.245 1.00 21.44 O ATOM 1529 CB HIS A2106 3.009 0.422 -8.498 1.00 74.52 C ATOM 1530 CG HIS A2106 3.400 0.518 -9.952 1.00 43.43 C ATOM 1531 ND1 HIS A2106 4.648 0.144 -10.421 1.00 40.11 N ATOM 1532 CD2 HIS A2106 2.696 0.950 -11.037 1.00 53.20 C ATOM 1533 CE1 HIS A2106 4.681 0.347 -11.729 1.00 42.43 C ATOM 1534 NE2 HIS A2106 3.471 0.847 -12.111 1.00 64.41 N ATOM 0 H HIS A2106 1.371 1.684 -7.134 1.00 32.25 H new ATOM 0 HA HIS A2106 1.125 -0.165 -9.257 1.00 33.42 H new ATOM 0 HB2 HIS A2106 3.126 1.402 -8.035 1.00 74.52 H new ATOM 0 HB3 HIS A2106 3.697 -0.254 -7.991 1.00 74.52 H new ATOM 0 HD2 HIS A2106 1.679 1.315 -11.025 1.00 53.20 H new ATOM 0 HE1 HIS A2106 5.520 0.151 -12.380 1.00 42.43 H new ATOM 0 HE2 HIS A2106 3.205 1.100 -13.063 1.00 64.41 H new ATOM 1543 N VAL A2107 1.803 -1.439 -6.302 1.00 13.04 N ATOM 1544 CA VAL A2107 1.785 -2.673 -5.533 1.00 11.01 C ATOM 1545 C VAL A2107 0.338 -3.124 -5.333 1.00 22.45 C ATOM 1546 O VAL A2107 0.008 -4.288 -5.560 1.00 11.11 O ATOM 1547 CB VAL A2107 2.539 -2.480 -4.216 1.00 11.24 C ATOM 1548 CG1 VAL A2107 3.588 -1.372 -4.342 1.00 65.12 C ATOM 1549 CG2 VAL A2107 1.572 -2.190 -3.068 1.00 70.21 C ATOM 0 H VAL A2107 2.048 -0.606 -5.767 1.00 13.04 H new ATOM 0 HA VAL A2107 2.300 -3.467 -6.074 1.00 11.01 H new ATOM 0 HB VAL A2107 3.059 -3.410 -3.989 1.00 11.24 H new ATOM 0 HG11 VAL A2107 4.110 -1.255 -3.392 1.00 65.12 H new ATOM 0 HG12 VAL A2107 4.305 -1.636 -5.119 1.00 65.12 H new ATOM 0 HG13 VAL A2107 3.097 -0.435 -4.604 1.00 65.12 H new ATOM 0 HG21 VAL A2107 2.134 -2.057 -2.144 1.00 70.21 H new ATOM 0 HG22 VAL A2107 1.011 -1.281 -3.286 1.00 70.21 H new ATOM 0 HG23 VAL A2107 0.880 -3.025 -2.955 1.00 70.21 H new ATOM 1559 N PHE A2108 -0.489 -2.180 -4.908 1.00 31.03 N ATOM 1560 CA PHE A2108 -1.895 -2.466 -4.675 1.00 53.42 C ATOM 1561 C PHE A2108 -2.582 -2.925 -5.962 1.00 61.03 C ATOM 1562 O PHE A2108 -3.538 -3.698 -5.918 1.00 12.25 O ATOM 1563 CB PHE A2108 -2.542 -1.163 -4.201 1.00 74.41 C ATOM 1564 CG PHE A2108 -2.499 -0.962 -2.686 1.00 63.31 C ATOM 1565 CD1 PHE A2108 -1.397 -0.417 -2.103 1.00 33.53 C ATOM 1566 CD2 PHE A2108 -3.562 -1.329 -1.920 1.00 61.20 C ATOM 1567 CE1 PHE A2108 -1.357 -0.231 -0.695 1.00 11.41 C ATOM 1568 CE2 PHE A2108 -3.520 -1.143 -0.512 1.00 54.04 C ATOM 1569 CZ PHE A2108 -2.419 -0.598 0.070 1.00 64.03 C ATOM 0 H PHE A2108 -0.213 -1.217 -4.719 1.00 31.03 H new ATOM 0 HA PHE A2108 -1.996 -3.263 -3.938 1.00 53.42 H new ATOM 0 HB2 PHE A2108 -2.040 -0.324 -4.683 1.00 74.41 H new ATOM 0 HB3 PHE A2108 -3.581 -1.145 -4.530 1.00 74.41 H new ATOM 0 HD1 PHE A2108 -0.553 -0.126 -2.710 1.00 33.53 H new ATOM 0 HD2 PHE A2108 -4.437 -1.761 -2.382 1.00 61.20 H new ATOM 0 HE1 PHE A2108 -0.482 0.202 -0.232 1.00 11.41 H new ATOM 0 HE2 PHE A2108 -4.363 -1.435 0.096 1.00 54.04 H new ATOM 0 HZ PHE A2108 -2.388 -0.457 1.140 1.00 64.03 H new ATOM 1579 N ARG A2109 -2.070 -2.427 -7.078 1.00 45.41 N ATOM 1580 CA ARG A2109 -2.624 -2.776 -8.376 1.00 3.54 C ATOM 1581 C ARG A2109 -2.165 -4.176 -8.788 1.00 45.25 C ATOM 1582 O ARG A2109 -2.941 -4.944 -9.355 1.00 24.30 O ATOM 1583 CB ARG A2109 -2.194 -1.771 -9.447 1.00 51.21 C ATOM 1584 CG ARG A2109 -2.716 -2.181 -10.824 1.00 23.24 C ATOM 1585 CD ARG A2109 -4.088 -1.562 -11.099 1.00 31.41 C ATOM 1586 NE ARG A2109 -4.382 -1.605 -12.548 1.00 24.34 N ATOM 1587 CZ ARG A2109 -3.695 -0.914 -13.483 1.00 73.34 C ATOM 1588 NH1 ARG A2109 -2.667 -0.116 -13.124 1.00 61.22 N ATOM 1589 NH2 ARG A2109 -4.046 -1.028 -14.749 1.00 12.14 N ATOM 0 H ARG A2109 -1.278 -1.785 -7.111 1.00 45.41 H new ATOM 0 HA ARG A2109 -3.710 -2.755 -8.290 1.00 3.54 H new ATOM 0 HB2 ARG A2109 -2.569 -0.780 -9.192 1.00 51.21 H new ATOM 0 HB3 ARG A2109 -1.106 -1.703 -9.472 1.00 51.21 H new ATOM 0 HG2 ARG A2109 -2.010 -1.866 -11.593 1.00 23.24 H new ATOM 0 HG3 ARG A2109 -2.785 -3.267 -10.882 1.00 23.24 H new ATOM 0 HD2 ARG A2109 -4.857 -2.103 -10.547 1.00 31.41 H new ATOM 0 HD3 ARG A2109 -4.108 -0.531 -10.746 1.00 31.41 H new ATOM 0 HE ARG A2109 -5.153 -2.194 -12.861 1.00 24.34 H new ATOM 0 HH11 ARG A2109 -2.405 -0.032 -12.142 1.00 61.22 H new ATOM 0 HH12 ARG A2109 -2.152 0.403 -13.835 1.00 61.22 H new ATOM 0 HH21 ARG A2109 -4.826 -1.631 -15.010 1.00 12.14 H new ATOM 0 HH22 ARG A2109 -3.537 -0.513 -15.468 1.00 12.14 H new ATOM 1601 N ARG A2110 -0.908 -4.465 -8.490 1.00 60.42 N ATOM 1602 CA ARG A2110 -0.339 -5.761 -8.821 1.00 11.11 C ATOM 1603 C ARG A2110 -1.113 -6.877 -8.119 1.00 74.40 C ATOM 1604 O ARG A2110 -1.537 -7.840 -8.757 1.00 63.41 O ATOM 1605 CB ARG A2110 1.134 -5.836 -8.413 1.00 30.41 C ATOM 1606 CG ARG A2110 2.049 -5.724 -9.635 1.00 31.40 C ATOM 1607 CD ARG A2110 2.750 -7.055 -9.918 1.00 63.45 C ATOM 1608 NE ARG A2110 3.986 -7.156 -9.115 1.00 71.10 N ATOM 1609 CZ ARG A2110 4.783 -8.246 -9.085 1.00 52.20 C ATOM 1610 NH1 ARG A2110 4.478 -9.338 -9.818 1.00 45.33 N ATOM 1611 NH2 ARG A2110 5.866 -8.228 -8.331 1.00 62.02 N ATOM 0 H ARG A2110 -0.266 -3.824 -8.023 1.00 60.42 H new ATOM 0 HA ARG A2110 -0.412 -5.889 -9.901 1.00 11.11 H new ATOM 0 HB2 ARG A2110 1.361 -5.035 -7.710 1.00 30.41 H new ATOM 0 HB3 ARG A2110 1.324 -6.777 -7.897 1.00 30.41 H new ATOM 0 HG2 ARG A2110 1.465 -5.424 -10.505 1.00 31.40 H new ATOM 0 HG3 ARG A2110 2.793 -4.945 -9.467 1.00 31.40 H new ATOM 0 HD2 ARG A2110 2.084 -7.884 -9.681 1.00 63.45 H new ATOM 0 HD3 ARG A2110 2.988 -7.131 -10.979 1.00 63.45 H new ATOM 0 HE ARG A2110 4.254 -6.352 -8.548 1.00 71.10 H new ATOM 0 HH11 ARG A2110 3.640 -9.344 -10.400 1.00 45.33 H new ATOM 0 HH12 ARG A2110 5.085 -10.157 -9.790 1.00 45.33 H new ATOM 0 HH21 ARG A2110 6.091 -7.399 -7.781 1.00 62.02 H new ATOM 0 HH22 ARG A2110 6.478 -9.043 -8.298 1.00 62.02 H new ATOM 1623 N ILE A2111 -1.273 -6.712 -6.814 1.00 65.03 N ATOM 1624 CA ILE A2111 -1.989 -7.695 -6.018 1.00 44.03 C ATOM 1625 C ILE A2111 -3.294 -8.068 -6.728 1.00 2.24 C ATOM 1626 O ILE A2111 -3.800 -9.177 -6.560 1.00 14.23 O ATOM 1627 CB ILE A2111 -2.191 -7.184 -4.590 1.00 3.41 C ATOM 1628 CG1 ILE A2111 -2.754 -5.761 -4.591 1.00 54.12 C ATOM 1629 CG2 ILE A2111 -0.896 -7.288 -3.783 1.00 22.11 C ATOM 1630 CD1 ILE A2111 -2.993 -5.264 -3.164 1.00 20.14 C ATOM 0 H ILE A2111 -0.919 -5.913 -6.288 1.00 65.03 H new ATOM 0 HA ILE A2111 -1.403 -8.609 -5.925 1.00 44.03 H new ATOM 0 HB ILE A2111 -2.928 -7.821 -4.100 1.00 3.41 H new ATOM 0 HG12 ILE A2111 -2.061 -5.092 -5.101 1.00 54.12 H new ATOM 0 HG13 ILE A2111 -3.690 -5.737 -5.150 1.00 54.12 H new ATOM 0 HG21 ILE A2111 -1.067 -6.918 -2.772 1.00 22.11 H new ATOM 0 HG22 ILE A2111 -0.577 -8.329 -3.740 1.00 22.11 H new ATOM 0 HG23 ILE A2111 -0.120 -6.690 -4.262 1.00 22.11 H new ATOM 0 HD11 ILE A2111 -3.393 -4.251 -3.194 1.00 20.14 H new ATOM 0 HD12 ILE A2111 -3.705 -5.921 -2.665 1.00 20.14 H new ATOM 0 HD13 ILE A2111 -2.051 -5.266 -2.615 1.00 20.14 H new ATOM 1642 N SER A2112 -3.799 -7.121 -7.505 1.00 3.13 N ATOM 1643 CA SER A2112 -5.032 -7.336 -8.240 1.00 41.11 C ATOM 1644 C SER A2112 -4.720 -7.833 -9.652 1.00 24.22 C ATOM 1645 O SER A2112 -5.275 -8.838 -10.098 1.00 55.33 O ATOM 1646 CB SER A2112 -5.868 -6.056 -8.301 1.00 55.41 C ATOM 1647 OG SER A2112 -5.586 -5.290 -9.468 1.00 15.51 O ATOM 0 H SER A2112 -3.376 -6.203 -7.641 1.00 3.13 H new ATOM 0 HA SER A2112 -5.614 -8.093 -7.715 1.00 41.11 H new ATOM 0 HB2 SER A2112 -6.927 -6.313 -8.283 1.00 55.41 H new ATOM 0 HB3 SER A2112 -5.672 -5.452 -7.415 1.00 55.41 H new ATOM 0 HG SER A2112 -4.681 -4.920 -9.405 1.00 15.51 H new ATOM 1653 N LYS A2113 -3.833 -7.108 -10.317 1.00 44.52 N ATOM 1654 CA LYS A2113 -3.440 -7.463 -11.672 1.00 40.14 C ATOM 1655 C LYS A2113 -3.297 -8.983 -11.774 1.00 73.14 C ATOM 1656 O LYS A2113 -3.516 -9.560 -12.837 1.00 44.03 O ATOM 1657 CB LYS A2113 -2.181 -6.697 -12.082 1.00 13.52 C ATOM 1658 CG LYS A2113 -1.661 -7.182 -13.437 1.00 61.44 C ATOM 1659 CD LYS A2113 -1.900 -6.133 -14.525 1.00 62.34 C ATOM 1660 CE LYS A2113 -0.616 -5.362 -14.833 1.00 42.12 C ATOM 1661 NZ LYS A2113 -0.856 -4.360 -15.896 1.00 43.32 N ATOM 0 H LYS A2113 -3.375 -6.277 -9.944 1.00 44.52 H new ATOM 0 HA LYS A2113 -4.211 -7.167 -12.383 1.00 40.14 H new ATOM 0 HB2 LYS A2113 -2.400 -5.631 -12.133 1.00 13.52 H new ATOM 0 HB3 LYS A2113 -1.409 -6.828 -11.324 1.00 13.52 H new ATOM 0 HG2 LYS A2113 -0.595 -7.399 -13.365 1.00 61.44 H new ATOM 0 HG3 LYS A2113 -2.158 -8.113 -13.709 1.00 61.44 H new ATOM 0 HD2 LYS A2113 -2.263 -6.619 -15.431 1.00 62.34 H new ATOM 0 HD3 LYS A2113 -2.677 -5.439 -14.202 1.00 62.34 H new ATOM 0 HE2 LYS A2113 -0.258 -4.866 -13.931 1.00 42.12 H new ATOM 0 HE3 LYS A2113 0.165 -6.055 -15.147 1.00 42.12 H new ATOM 0 HZ1 LYS A2113 0.026 -3.845 -16.093 1.00 43.32 H new ATOM 0 HZ2 LYS A2113 -1.177 -4.841 -16.760 1.00 43.32 H new ATOM 0 HZ3 LYS A2113 -1.586 -3.689 -15.582 1.00 43.32 H new ATOM 1674 N GLN A2114 -2.928 -9.587 -10.654 1.00 62.32 N ATOM 1675 CA GLN A2114 -2.752 -11.029 -10.605 1.00 50.52 C ATOM 1676 C GLN A2114 -2.821 -11.523 -9.159 1.00 13.54 C ATOM 1677 O GLN A2114 -3.606 -12.415 -8.840 1.00 62.54 O ATOM 1678 CB GLN A2114 -1.434 -11.443 -11.264 1.00 53.22 C ATOM 1679 CG GLN A2114 -1.527 -12.861 -11.830 1.00 74.23 C ATOM 1680 CD GLN A2114 -0.555 -13.050 -12.996 1.00 44.11 C ATOM 1681 OE1 GLN A2114 0.556 -13.529 -12.840 1.00 1.22 O ATOM 1682 NE2 GLN A2114 -1.033 -12.648 -14.170 1.00 32.04 N ATOM 0 H GLN A2114 -2.746 -9.105 -9.774 1.00 62.32 H new ATOM 0 HA GLN A2114 -3.563 -11.494 -11.166 1.00 50.52 H new ATOM 0 HB2 GLN A2114 -1.187 -10.744 -12.063 1.00 53.22 H new ATOM 0 HB3 GLN A2114 -0.626 -11.391 -10.534 1.00 53.22 H new ATOM 0 HG2 GLN A2114 -1.305 -13.585 -11.046 1.00 74.23 H new ATOM 0 HG3 GLN A2114 -2.546 -13.057 -12.165 1.00 74.23 H new ATOM 0 HE21 GLN A2114 -1.973 -12.256 -14.231 1.00 32.04 H new ATOM 0 HE22 GLN A2114 -0.460 -12.732 -15.010 1.00 32.04 H new TER 1691 GLN A2114