USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2028 HIS : no HE2:sc= 0 X(o=0,f=-0.43) USER MOD Set 1.2: A2112 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A2026 MET CE :methyl 142:sc= -7.16! (180deg=-6.81!) USER MOD Set 2.2: A2057 MET CE :methyl -167:sc= -3.64 (180deg=-2.49!) USER MOD Set 2.3: A2058 MET CE :methyl 172:sc= -15.7! (180deg=-13.1!) USER MOD Set 3.1: A2055 HIS : no HD1:sc= -5.36! K(o=-5.4!,f=-1.2) USER MOD Set 3.2: A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-1.1) USER MOD Single : A2035 SER OG : rot 57:sc= 0.62 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -3.57 K(o=-3.6,f=-5.8!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -133:sc= -3.21 (180deg=-10.9!) USER MOD Single : A2063 GLN : amide:sc=-0.000699 X(o=-0.0007,f=-0.0084) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 71:sc= 0.354 USER MOD Single : A2069 SER OG : rot -67:sc= 0.43 USER MOD Single : A2071 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.024) USER MOD Single : A2072 GLN : amide:sc=-0.000288 K(o=-0.00029,f=-0.86) USER MOD Single : A2074 TYR OH : rot 180:sc= 0 USER MOD Single : A2079 MET CE :methyl -125:sc= 0 (180deg=-0.179) USER MOD Single : A2082 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.14) USER MOD Single : A2085 CYS SG : rot 88:sc= 0.193 USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl 138:sc= -6.37! (180deg=-8.3!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.2!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN : amide:sc= -0.0845 X(o=-0.085,f=-0.39) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.24) USER MOD Single : A2113 LYS NZ :NH3+ -168:sc= 0.627 (180deg=0.548) USER MOD Single : A2114 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -7.818 -15.599 -17.374 1.00 62.23 N ATOM 2 CA MET A2014 -8.134 -16.549 -16.321 1.00 53.11 C ATOM 3 C MET A2014 -7.154 -16.416 -15.151 1.00 2.34 C ATOM 4 O MET A2014 -5.940 -16.453 -15.349 1.00 14.41 O ATOM 5 CB MET A2014 -8.071 -17.971 -16.879 1.00 70.42 C ATOM 6 CG MET A2014 -9.428 -18.397 -17.443 1.00 65.31 C ATOM 7 SD MET A2014 -9.194 -19.433 -18.879 1.00 74.40 S ATOM 8 CE MET A2014 -8.979 -18.179 -20.132 1.00 71.21 C ATOM 0 HA MET A2014 -9.139 -16.337 -15.956 1.00 53.11 H new ATOM 0 HB2 MET A2014 -7.314 -18.026 -17.661 1.00 70.42 H new ATOM 0 HB3 MET A2014 -7.767 -18.661 -16.092 1.00 70.42 H new ATOM 0 HG2 MET A2014 -9.994 -18.936 -16.683 1.00 65.31 H new ATOM 0 HG3 MET A2014 -10.013 -17.517 -17.711 1.00 65.31 H new ATOM 0 HE1 MET A2014 -8.820 -18.655 -21.100 1.00 71.21 H new ATOM 0 HE2 MET A2014 -9.870 -17.553 -20.177 1.00 71.21 H new ATOM 0 HE3 MET A2014 -8.115 -17.562 -19.885 1.00 71.21 H new ATOM 18 N GLU A2015 -7.718 -16.265 -13.963 1.00 20.02 N ATOM 19 CA GLU A2015 -6.910 -16.127 -12.764 1.00 0.32 C ATOM 20 C GLU A2015 -7.216 -17.262 -11.784 1.00 1.24 C ATOM 21 O GLU A2015 -6.555 -17.393 -10.755 1.00 12.04 O ATOM 22 CB GLU A2015 -7.129 -14.762 -12.108 1.00 74.33 C ATOM 23 CG GLU A2015 -8.553 -14.641 -11.557 1.00 31.53 C ATOM 24 CD GLU A2015 -9.427 -13.789 -12.477 1.00 45.15 C ATOM 25 OE1 GLU A2015 -8.958 -12.771 -13.010 1.00 23.34 O ATOM 26 OE2 GLU A2015 -10.635 -14.214 -12.633 1.00 73.41 O ATOM 0 H GLU A2015 -8.725 -16.235 -13.805 1.00 20.02 H new ATOM 0 HA GLU A2015 -5.860 -16.192 -13.048 1.00 0.32 H new ATOM 0 HB2 GLU A2015 -6.410 -14.623 -11.301 1.00 74.33 H new ATOM 0 HB3 GLU A2015 -6.948 -13.971 -12.836 1.00 74.33 H new ATOM 0 HG2 GLU A2015 -8.991 -15.633 -11.450 1.00 31.53 H new ATOM 0 HG3 GLU A2015 -8.525 -14.196 -10.562 1.00 31.53 H new ATOM 34 N LEU A2016 -8.217 -18.053 -12.138 1.00 70.35 N ATOM 35 CA LEU A2016 -8.617 -19.173 -11.304 1.00 73.04 C ATOM 36 C LEU A2016 -9.146 -18.644 -9.969 1.00 75.31 C ATOM 37 O LEU A2016 -8.921 -17.485 -9.623 1.00 43.04 O ATOM 38 CB LEU A2016 -7.468 -20.170 -11.156 1.00 25.05 C ATOM 39 CG LEU A2016 -7.710 -21.565 -11.739 1.00 60.32 C ATOM 40 CD1 LEU A2016 -8.834 -22.284 -10.991 1.00 45.42 C ATOM 41 CD2 LEU A2016 -7.978 -21.490 -13.245 1.00 73.44 C ATOM 0 H LEU A2016 -8.764 -17.941 -12.992 1.00 70.35 H new ATOM 0 HA LEU A2016 -9.429 -19.727 -11.775 1.00 73.04 H new ATOM 0 HB2 LEU A2016 -6.583 -19.748 -11.632 1.00 25.05 H new ATOM 0 HB3 LEU A2016 -7.239 -20.276 -10.095 1.00 25.05 H new ATOM 0 HG LEU A2016 -6.804 -22.155 -11.602 1.00 60.32 H new ATOM 0 HD11 LEU A2016 -8.986 -23.272 -11.425 1.00 45.42 H new ATOM 0 HD12 LEU A2016 -8.564 -22.387 -9.940 1.00 45.42 H new ATOM 0 HD13 LEU A2016 -9.754 -21.706 -11.074 1.00 45.42 H new ATOM 0 HD21 LEU A2016 -8.147 -22.494 -13.635 1.00 73.44 H new ATOM 0 HD22 LEU A2016 -8.860 -20.877 -13.427 1.00 73.44 H new ATOM 0 HD23 LEU A2016 -7.118 -21.046 -13.746 1.00 73.44 H new ATOM 53 N ILE A2017 -9.840 -19.519 -9.255 1.00 0.21 N ATOM 54 CA ILE A2017 -10.402 -19.155 -7.966 1.00 65.45 C ATOM 55 C ILE A2017 -9.385 -18.320 -7.188 1.00 61.44 C ATOM 56 O ILE A2017 -8.180 -18.539 -7.301 1.00 72.32 O ATOM 57 CB ILE A2017 -10.877 -20.401 -7.217 1.00 30.14 C ATOM 58 CG1 ILE A2017 -11.885 -20.036 -6.125 1.00 30.15 C ATOM 59 CG2 ILE A2017 -9.691 -21.190 -6.660 1.00 12.15 C ATOM 60 CD1 ILE A2017 -12.705 -21.257 -5.703 1.00 43.32 C ATOM 0 H ILE A2017 -10.026 -20.479 -9.545 1.00 0.21 H new ATOM 0 HA ILE A2017 -11.288 -18.535 -8.099 1.00 65.45 H new ATOM 0 HB ILE A2017 -11.392 -21.049 -7.926 1.00 30.14 H new ATOM 0 HG12 ILE A2017 -11.359 -19.631 -5.261 1.00 30.15 H new ATOM 0 HG13 ILE A2017 -12.552 -19.254 -6.488 1.00 30.15 H new ATOM 0 HG21 ILE A2017 -10.056 -22.071 -6.132 1.00 12.15 H new ATOM 0 HG22 ILE A2017 -9.043 -21.501 -7.480 1.00 12.15 H new ATOM 0 HG23 ILE A2017 -9.127 -20.561 -5.971 1.00 12.15 H new ATOM 0 HD11 ILE A2017 -13.413 -20.969 -4.926 1.00 43.32 H new ATOM 0 HD12 ILE A2017 -13.249 -21.645 -6.564 1.00 43.32 H new ATOM 0 HD13 ILE A2017 -12.038 -22.028 -5.318 1.00 43.32 H new ATOM 72 N ARG A2018 -9.908 -17.378 -6.414 1.00 0.33 N ATOM 73 CA ARG A2018 -9.060 -16.508 -5.617 1.00 22.32 C ATOM 74 C ARG A2018 -9.546 -16.477 -4.167 1.00 11.40 C ATOM 75 O ARG A2018 -10.689 -16.108 -3.899 1.00 50.50 O ATOM 76 CB ARG A2018 -9.050 -15.083 -6.176 1.00 21.43 C ATOM 77 CG ARG A2018 -8.399 -14.113 -5.190 1.00 72.42 C ATOM 78 CD ARG A2018 -7.315 -13.279 -5.877 1.00 23.51 C ATOM 79 NE ARG A2018 -7.845 -12.689 -7.125 1.00 72.22 N ATOM 80 CZ ARG A2018 -8.575 -11.555 -7.174 1.00 54.14 C ATOM 81 NH1 ARG A2018 -8.869 -10.877 -6.044 1.00 30.14 N ATOM 82 NH2 ARG A2018 -8.998 -11.117 -8.346 1.00 23.31 N ATOM 0 H ARG A2018 -10.908 -17.199 -6.323 1.00 0.33 H new ATOM 0 HA ARG A2018 -8.046 -16.907 -5.656 1.00 22.32 H new ATOM 0 HB2 ARG A2018 -8.509 -15.063 -7.122 1.00 21.43 H new ATOM 0 HB3 ARG A2018 -10.071 -14.764 -6.386 1.00 21.43 H new ATOM 0 HG2 ARG A2018 -9.158 -13.454 -4.768 1.00 72.42 H new ATOM 0 HG3 ARG A2018 -7.964 -14.670 -4.360 1.00 72.42 H new ATOM 0 HD2 ARG A2018 -6.974 -12.489 -5.208 1.00 23.51 H new ATOM 0 HD3 ARG A2018 -6.450 -13.904 -6.099 1.00 23.51 H new ATOM 0 HE ARG A2018 -7.647 -13.169 -8.003 1.00 72.22 H new ATOM 0 HH11 ARG A2018 -8.539 -11.221 -5.142 1.00 30.14 H new ATOM 0 HH12 ARG A2018 -9.421 -10.021 -6.092 1.00 30.14 H new ATOM 0 HH21 ARG A2018 -8.772 -11.634 -9.196 1.00 23.31 H new ATOM 0 HH22 ARG A2018 -9.551 -10.262 -8.402 1.00 23.31 H new ATOM 94 N VAL A2019 -8.654 -16.869 -3.268 1.00 42.35 N ATOM 95 CA VAL A2019 -8.978 -16.890 -1.852 1.00 23.24 C ATOM 96 C VAL A2019 -9.806 -15.652 -1.504 1.00 12.50 C ATOM 97 O VAL A2019 -9.586 -14.578 -2.062 1.00 3.10 O ATOM 98 CB VAL A2019 -7.697 -17.005 -1.023 1.00 24.13 C ATOM 99 CG1 VAL A2019 -7.978 -16.756 0.459 1.00 71.40 C ATOM 100 CG2 VAL A2019 -7.029 -18.366 -1.233 1.00 63.04 C ATOM 0 H VAL A2019 -7.707 -17.174 -3.493 1.00 42.35 H new ATOM 0 HA VAL A2019 -9.584 -17.764 -1.612 1.00 23.24 H new ATOM 0 HB VAL A2019 -7.006 -16.235 -1.366 1.00 24.13 H new ATOM 0 HG11 VAL A2019 -7.051 -16.844 1.025 1.00 71.40 H new ATOM 0 HG12 VAL A2019 -8.388 -15.755 0.588 1.00 71.40 H new ATOM 0 HG13 VAL A2019 -8.696 -17.492 0.822 1.00 71.40 H new ATOM 0 HG21 VAL A2019 -6.121 -18.422 -0.633 1.00 63.04 H new ATOM 0 HG22 VAL A2019 -7.714 -19.158 -0.930 1.00 63.04 H new ATOM 0 HG23 VAL A2019 -6.776 -18.488 -2.286 1.00 63.04 H new ATOM 110 N PRO A2020 -10.763 -15.846 -0.560 1.00 33.41 N ATOM 111 CA PRO A2020 -11.623 -14.758 -0.130 1.00 70.34 C ATOM 112 C PRO A2020 -10.870 -13.791 0.786 1.00 41.34 C ATOM 113 O PRO A2020 -10.590 -12.656 0.399 1.00 31.03 O ATOM 114 CB PRO A2020 -12.800 -15.433 0.559 1.00 54.23 C ATOM 115 CG PRO A2020 -12.329 -16.837 0.902 1.00 64.23 C ATOM 116 CD PRO A2020 -11.052 -17.105 0.123 1.00 21.13 C ATOM 0 HA PRO A2020 -11.965 -14.141 -0.961 1.00 70.34 H new ATOM 0 HB2 PRO A2020 -13.092 -14.888 1.457 1.00 54.23 H new ATOM 0 HB3 PRO A2020 -13.672 -15.462 -0.095 1.00 54.23 H new ATOM 0 HG2 PRO A2020 -12.149 -16.928 1.973 1.00 64.23 H new ATOM 0 HG3 PRO A2020 -13.094 -17.570 0.644 1.00 64.23 H new ATOM 0 HD2 PRO A2020 -10.236 -17.392 0.787 1.00 21.13 H new ATOM 0 HD3 PRO A2020 -11.186 -17.920 -0.588 1.00 21.13 H new ATOM 124 N ILE A2021 -10.563 -14.272 1.981 1.00 64.01 N ATOM 125 CA ILE A2021 -9.847 -13.466 2.952 1.00 75.34 C ATOM 126 C ILE A2021 -8.344 -13.705 2.800 1.00 63.11 C ATOM 127 O ILE A2021 -7.876 -14.836 2.927 1.00 65.14 O ATOM 128 CB ILE A2021 -10.375 -13.734 4.364 1.00 3.41 C ATOM 129 CG1 ILE A2021 -10.072 -15.170 4.797 1.00 71.45 C ATOM 130 CG2 ILE A2021 -11.865 -13.405 4.465 1.00 31.22 C ATOM 131 CD1 ILE A2021 -8.995 -15.202 5.881 1.00 52.42 C ATOM 0 H ILE A2021 -10.798 -15.212 2.299 1.00 64.01 H new ATOM 0 HA ILE A2021 -10.020 -12.406 2.768 1.00 75.34 H new ATOM 0 HB ILE A2021 -9.854 -13.072 5.056 1.00 3.41 H new ATOM 0 HG12 ILE A2021 -10.982 -15.640 5.170 1.00 71.45 H new ATOM 0 HG13 ILE A2021 -9.743 -15.751 3.936 1.00 71.45 H new ATOM 0 HG21 ILE A2021 -12.214 -13.605 5.478 1.00 31.22 H new ATOM 0 HG22 ILE A2021 -12.022 -12.353 4.228 1.00 31.22 H new ATOM 0 HG23 ILE A2021 -12.423 -14.023 3.761 1.00 31.22 H new ATOM 0 HD11 ILE A2021 -8.800 -16.235 6.170 1.00 52.42 H new ATOM 0 HD12 ILE A2021 -8.079 -14.753 5.497 1.00 52.42 H new ATOM 0 HD13 ILE A2021 -9.337 -14.641 6.751 1.00 52.42 H new ATOM 143 N LEU A2022 -7.628 -12.623 2.531 1.00 73.11 N ATOM 144 CA LEU A2022 -6.187 -12.702 2.362 1.00 10.04 C ATOM 145 C LEU A2022 -5.589 -11.298 2.465 1.00 4.14 C ATOM 146 O LEU A2022 -6.320 -10.310 2.520 1.00 53.12 O ATOM 147 CB LEU A2022 -5.841 -13.425 1.059 1.00 42.25 C ATOM 148 CG LEU A2022 -6.509 -12.883 -0.207 1.00 24.20 C ATOM 149 CD1 LEU A2022 -7.781 -13.668 -0.534 1.00 24.44 C ATOM 150 CD2 LEU A2022 -6.778 -11.383 -0.086 1.00 54.43 C ATOM 0 H LEU A2022 -8.019 -11.687 2.426 1.00 73.11 H new ATOM 0 HA LEU A2022 -5.741 -13.298 3.158 1.00 10.04 H new ATOM 0 HB2 LEU A2022 -4.760 -13.386 0.921 1.00 42.25 H new ATOM 0 HB3 LEU A2022 -6.111 -14.476 1.167 1.00 42.25 H new ATOM 0 HG LEU A2022 -5.821 -13.020 -1.041 1.00 24.20 H new ATOM 0 HD11 LEU A2022 -8.236 -13.263 -1.438 1.00 24.44 H new ATOM 0 HD12 LEU A2022 -7.531 -14.717 -0.693 1.00 24.44 H new ATOM 0 HD13 LEU A2022 -8.484 -13.584 0.295 1.00 24.44 H new ATOM 0 HD21 LEU A2022 -7.253 -11.024 -0.999 1.00 54.43 H new ATOM 0 HD22 LEU A2022 -7.437 -11.199 0.763 1.00 54.43 H new ATOM 0 HD23 LEU A2022 -5.836 -10.855 0.065 1.00 54.43 H new ATOM 162 N TRP A2023 -4.265 -11.254 2.486 1.00 10.13 N ATOM 163 CA TRP A2023 -3.559 -9.988 2.580 1.00 43.21 C ATOM 164 C TRP A2023 -4.160 -9.033 1.547 1.00 72.55 C ATOM 165 O TRP A2023 -4.522 -7.903 1.877 1.00 32.54 O ATOM 166 CB TRP A2023 -2.052 -10.184 2.406 1.00 23.21 C ATOM 167 CG TRP A2023 -1.292 -10.371 3.721 1.00 2.42 C ATOM 168 CD1 TRP A2023 -1.788 -10.705 4.920 1.00 70.45 C ATOM 169 CD2 TRP A2023 0.129 -10.219 3.921 1.00 21.02 C ATOM 170 NE1 TRP A2023 -0.794 -10.779 5.876 1.00 44.03 N ATOM 171 CE2 TRP A2023 0.408 -10.475 5.248 1.00 53.44 C ATOM 172 CE3 TRP A2023 1.145 -9.877 3.011 1.00 31.32 C ATOM 173 CZ2 TRP A2023 1.699 -10.414 5.786 1.00 5.44 C ATOM 174 CZ3 TRP A2023 2.431 -9.821 3.564 1.00 23.40 C ATOM 175 CH2 TRP A2023 2.728 -10.075 4.898 1.00 23.21 C ATOM 0 H TRP A2023 -3.662 -12.076 2.439 1.00 10.13 H new ATOM 0 HA TRP A2023 -3.682 -9.552 3.571 1.00 43.21 H new ATOM 0 HB2 TRP A2023 -1.880 -11.054 1.772 1.00 23.21 H new ATOM 0 HB3 TRP A2023 -1.642 -9.321 1.881 1.00 23.21 H new ATOM 0 HD1 TRP A2023 -2.834 -10.893 5.114 1.00 70.45 H new ATOM 0 HE1 TRP A2023 -0.919 -11.013 6.861 1.00 44.03 H new ATOM 0 HE3 TRP A2023 0.949 -9.674 1.968 1.00 31.32 H new ATOM 0 HZ2 TRP A2023 1.891 -10.617 6.829 1.00 5.44 H new ATOM 0 HZ3 TRP A2023 3.249 -9.562 2.908 1.00 23.40 H new ATOM 0 HH2 TRP A2023 3.748 -10.011 5.248 1.00 23.21 H new ATOM 186 N HIS A2024 -4.251 -9.522 0.320 1.00 2.14 N ATOM 187 CA HIS A2024 -4.803 -8.725 -0.764 1.00 63.11 C ATOM 188 C HIS A2024 -6.073 -8.017 -0.285 1.00 2.25 C ATOM 189 O HIS A2024 -6.444 -6.974 -0.819 1.00 14.51 O ATOM 190 CB HIS A2024 -5.036 -9.588 -2.005 1.00 44.44 C ATOM 191 CG HIS A2024 -4.000 -10.666 -2.210 1.00 52.44 C ATOM 192 ND1 HIS A2024 -4.301 -11.899 -2.760 1.00 53.40 N ATOM 193 CD2 HIS A2024 -2.664 -10.682 -1.934 1.00 40.35 C ATOM 194 CE1 HIS A2024 -3.187 -12.619 -2.806 1.00 70.45 C ATOM 195 NE2 HIS A2024 -2.176 -11.861 -2.294 1.00 14.10 N ATOM 0 H HIS A2024 -3.952 -10.460 0.051 1.00 2.14 H new ATOM 0 HA HIS A2024 -4.089 -7.955 -1.057 1.00 63.11 H new ATOM 0 HB2 HIS A2024 -6.019 -10.053 -1.931 1.00 44.44 H new ATOM 0 HB3 HIS A2024 -5.053 -8.944 -2.884 1.00 44.44 H new ATOM 0 HD2 HIS A2024 -2.100 -9.872 -1.496 1.00 40.35 H new ATOM 0 HE1 HIS A2024 -3.097 -13.627 -3.183 1.00 70.45 H new ATOM 0 HE2 HIS A2024 -1.203 -12.153 -2.203 1.00 14.10 H new ATOM 204 N GLU A2025 -6.702 -8.614 0.716 1.00 71.32 N ATOM 205 CA GLU A2025 -7.923 -8.053 1.273 1.00 2.44 C ATOM 206 C GLU A2025 -7.613 -6.767 2.040 1.00 10.42 C ATOM 207 O GLU A2025 -8.398 -5.820 2.012 1.00 13.13 O ATOM 208 CB GLU A2025 -8.633 -9.069 2.168 1.00 41.33 C ATOM 209 CG GLU A2025 -10.067 -8.627 2.467 1.00 33.10 C ATOM 210 CD GLU A2025 -11.018 -9.057 1.348 1.00 23.13 C ATOM 211 OE1 GLU A2025 -11.517 -10.193 1.361 1.00 32.34 O ATOM 212 OE2 GLU A2025 -11.234 -8.165 0.442 1.00 32.33 O ATOM 0 H GLU A2025 -6.390 -9.480 1.156 1.00 71.32 H new ATOM 0 HA GLU A2025 -8.597 -7.809 0.452 1.00 2.44 H new ATOM 0 HB2 GLU A2025 -8.643 -10.044 1.681 1.00 41.33 H new ATOM 0 HB3 GLU A2025 -8.082 -9.185 3.101 1.00 41.33 H new ATOM 0 HG2 GLU A2025 -10.394 -9.058 3.413 1.00 33.10 H new ATOM 0 HG3 GLU A2025 -10.101 -7.544 2.582 1.00 33.10 H new ATOM 220 N MET A2026 -6.468 -6.774 2.706 1.00 34.14 N ATOM 221 CA MET A2026 -6.045 -5.620 3.480 1.00 52.55 C ATOM 222 C MET A2026 -5.649 -4.460 2.564 1.00 11.42 C ATOM 223 O MET A2026 -5.942 -3.302 2.859 1.00 74.23 O ATOM 224 CB MET A2026 -4.855 -6.002 4.361 1.00 11.13 C ATOM 225 CG MET A2026 -3.937 -4.800 4.597 1.00 2.32 C ATOM 226 SD MET A2026 -2.797 -4.627 3.233 1.00 52.30 S ATOM 227 CE MET A2026 -1.272 -4.391 4.132 1.00 52.25 C ATOM 0 H MET A2026 -5.820 -7.561 2.726 1.00 34.14 H new ATOM 0 HA MET A2026 -6.881 -5.299 4.102 1.00 52.55 H new ATOM 0 HB2 MET A2026 -5.214 -6.383 5.317 1.00 11.13 H new ATOM 0 HB3 MET A2026 -4.292 -6.807 3.888 1.00 11.13 H new ATOM 0 HG2 MET A2026 -4.532 -3.893 4.702 1.00 2.32 H new ATOM 0 HG3 MET A2026 -3.386 -4.930 5.528 1.00 2.32 H new ATOM 0 HE1 MET A2026 -0.462 -4.907 3.617 1.00 52.25 H new ATOM 0 HE2 MET A2026 -1.045 -3.327 4.190 1.00 52.25 H new ATOM 0 HE3 MET A2026 -1.377 -4.795 5.139 1.00 52.25 H new ATOM 237 N TRP A2027 -4.990 -4.811 1.469 1.00 55.21 N ATOM 238 CA TRP A2027 -4.551 -3.814 0.507 1.00 41.14 C ATOM 239 C TRP A2027 -5.797 -3.185 -0.123 1.00 11.24 C ATOM 240 O TRP A2027 -5.886 -1.964 -0.245 1.00 13.23 O ATOM 241 CB TRP A2027 -3.603 -4.426 -0.523 1.00 24.44 C ATOM 242 CG TRP A2027 -2.330 -5.025 0.079 1.00 51.52 C ATOM 243 CD1 TRP A2027 -2.213 -6.125 0.834 1.00 15.44 C ATOM 244 CD2 TRP A2027 -0.989 -4.506 -0.057 1.00 32.41 C ATOM 245 NE1 TRP A2027 -0.900 -6.352 1.195 1.00 73.41 N ATOM 246 CE2 TRP A2027 -0.133 -5.337 0.637 1.00 2.33 C ATOM 247 CE3 TRP A2027 -0.517 -3.373 -0.740 1.00 22.40 C ATOM 248 CZ2 TRP A2027 1.249 -5.122 0.711 1.00 3.11 C ATOM 249 CZ3 TRP A2027 0.866 -3.172 -0.657 1.00 75.50 C ATOM 250 CH2 TRP A2027 1.742 -3.999 0.037 1.00 54.31 C ATOM 0 H TRP A2027 -4.749 -5.772 1.227 1.00 55.21 H new ATOM 0 HA TRP A2027 -3.976 -3.029 0.999 1.00 41.14 H new ATOM 0 HB2 TRP A2027 -4.133 -5.204 -1.072 1.00 24.44 H new ATOM 0 HB3 TRP A2027 -3.324 -3.659 -1.246 1.00 24.44 H new ATOM 0 HD1 TRP A2027 -3.041 -6.755 1.124 1.00 15.44 H new ATOM 0 HE1 TRP A2027 -0.556 -7.124 1.767 1.00 73.41 H new ATOM 0 HE3 TRP A2027 -1.170 -2.709 -1.287 1.00 22.40 H new ATOM 0 HZ2 TRP A2027 1.900 -5.787 1.259 1.00 3.11 H new ATOM 0 HZ3 TRP A2027 1.281 -2.315 -1.167 1.00 75.50 H new ATOM 0 HH2 TRP A2027 2.798 -3.776 0.056 1.00 54.31 H new ATOM 261 N HIS A2028 -6.725 -4.048 -0.509 1.00 32.54 N ATOM 262 CA HIS A2028 -7.960 -3.593 -1.123 1.00 41.31 C ATOM 263 C HIS A2028 -8.737 -2.727 -0.133 1.00 33.31 C ATOM 264 O HIS A2028 -9.030 -1.565 -0.414 1.00 71.30 O ATOM 265 CB HIS A2028 -8.776 -4.778 -1.644 1.00 21.01 C ATOM 266 CG HIS A2028 -8.892 -4.832 -3.148 1.00 44.55 C ATOM 267 ND1 HIS A2028 -10.076 -4.578 -3.819 1.00 23.41 N ATOM 268 CD2 HIS A2028 -7.959 -5.110 -4.105 1.00 33.31 C ATOM 269 CE1 HIS A2028 -9.855 -4.702 -5.119 1.00 24.32 C ATOM 270 NE2 HIS A2028 -8.543 -5.032 -5.294 1.00 5.01 N ATOM 0 H HIS A2028 -6.646 -5.060 -0.408 1.00 32.54 H new ATOM 0 HA HIS A2028 -7.732 -2.974 -1.991 1.00 41.31 H new ATOM 0 HB2 HIS A2028 -8.319 -5.703 -1.292 1.00 21.01 H new ATOM 0 HB3 HIS A2028 -9.777 -4.733 -1.214 1.00 21.01 H new ATOM 0 HD1 HIS A2028 -10.967 -4.336 -3.386 1.00 23.41 H new ATOM 0 HD2 HIS A2028 -6.922 -5.352 -3.925 1.00 33.31 H new ATOM 0 HE1 HIS A2028 -10.585 -4.566 -5.903 1.00 24.32 H new ATOM 279 N GLU A2029 -9.051 -3.324 1.009 1.00 44.25 N ATOM 280 CA GLU A2029 -9.789 -2.620 2.043 1.00 41.32 C ATOM 281 C GLU A2029 -9.007 -1.392 2.512 1.00 15.24 C ATOM 282 O GLU A2029 -9.581 -0.321 2.705 1.00 62.15 O ATOM 283 CB GLU A2029 -10.108 -3.549 3.217 1.00 1.23 C ATOM 284 CG GLU A2029 -11.211 -4.541 2.847 1.00 22.22 C ATOM 285 CD GLU A2029 -12.538 -4.156 3.507 1.00 23.41 C ATOM 286 OE1 GLU A2029 -12.614 -4.070 4.741 1.00 3.34 O ATOM 287 OE2 GLU A2029 -13.512 -3.944 2.688 1.00 23.11 O ATOM 0 H GLU A2029 -8.807 -4.287 1.240 1.00 44.25 H new ATOM 0 HA GLU A2029 -10.736 -2.283 1.621 1.00 41.32 H new ATOM 0 HB2 GLU A2029 -9.209 -4.092 3.510 1.00 1.23 H new ATOM 0 HB3 GLU A2029 -10.419 -2.958 4.079 1.00 1.23 H new ATOM 0 HG2 GLU A2029 -11.333 -4.567 1.764 1.00 22.22 H new ATOM 0 HG3 GLU A2029 -10.923 -5.545 3.160 1.00 22.22 H new ATOM 295 N GLY A2030 -7.708 -1.587 2.683 1.00 31.40 N ATOM 296 CA GLY A2030 -6.840 -0.510 3.126 1.00 74.34 C ATOM 297 C GLY A2030 -7.024 0.734 2.256 1.00 4.45 C ATOM 298 O GLY A2030 -7.470 1.774 2.739 1.00 22.22 O ATOM 0 H GLY A2030 -7.235 -2.476 2.522 1.00 31.40 H new ATOM 0 HA2 GLY A2030 -7.058 -0.267 4.166 1.00 74.34 H new ATOM 0 HA3 GLY A2030 -5.801 -0.836 3.086 1.00 74.34 H new ATOM 302 N LEU A2031 -6.669 0.588 0.988 1.00 32.30 N ATOM 303 CA LEU A2031 -6.788 1.686 0.045 1.00 22.24 C ATOM 304 C LEU A2031 -8.236 2.182 0.027 1.00 73.42 C ATOM 305 O LEU A2031 -8.486 3.369 -0.180 1.00 42.11 O ATOM 306 CB LEU A2031 -6.264 1.271 -1.331 1.00 31.40 C ATOM 307 CG LEU A2031 -4.833 0.735 -1.370 1.00 11.55 C ATOM 308 CD1 LEU A2031 -4.193 0.978 -2.739 1.00 51.11 C ATOM 309 CD2 LEU A2031 -3.995 1.327 -0.234 1.00 4.23 C ATOM 0 H LEU A2031 -6.298 -0.276 0.592 1.00 32.30 H new ATOM 0 HA LEU A2031 -6.166 2.525 0.357 1.00 22.24 H new ATOM 0 HB2 LEU A2031 -6.928 0.507 -1.735 1.00 31.40 H new ATOM 0 HB3 LEU A2031 -6.326 2.132 -1.996 1.00 31.40 H new ATOM 0 HG LEU A2031 -4.868 -0.344 -1.217 1.00 11.55 H new ATOM 0 HD11 LEU A2031 -3.175 0.587 -2.739 1.00 51.11 H new ATOM 0 HD12 LEU A2031 -4.776 0.472 -3.508 1.00 51.11 H new ATOM 0 HD13 LEU A2031 -4.171 2.048 -2.945 1.00 51.11 H new ATOM 0 HD21 LEU A2031 -2.981 0.930 -0.284 1.00 4.23 H new ATOM 0 HD22 LEU A2031 -3.965 2.412 -0.332 1.00 4.23 H new ATOM 0 HD23 LEU A2031 -4.442 1.061 0.724 1.00 4.23 H new ATOM 321 N GLU A2032 -9.151 1.250 0.249 1.00 34.13 N ATOM 322 CA GLU A2032 -10.566 1.578 0.263 1.00 12.45 C ATOM 323 C GLU A2032 -10.833 2.740 1.223 1.00 34.30 C ATOM 324 O GLU A2032 -11.428 3.745 0.838 1.00 4.31 O ATOM 325 CB GLU A2032 -11.409 0.356 0.632 1.00 30.22 C ATOM 326 CG GLU A2032 -12.404 0.020 -0.479 1.00 65.05 C ATOM 327 CD GLU A2032 -13.377 1.178 -0.713 1.00 53.23 C ATOM 328 OE1 GLU A2032 -13.033 2.146 -1.406 1.00 10.30 O ATOM 329 OE2 GLU A2032 -14.527 1.047 -0.143 1.00 44.24 O ATOM 0 H GLU A2032 -8.940 0.267 0.421 1.00 34.13 H new ATOM 0 HA GLU A2032 -10.857 1.888 -0.741 1.00 12.45 H new ATOM 0 HB2 GLU A2032 -10.757 -0.499 0.812 1.00 30.22 H new ATOM 0 HB3 GLU A2032 -11.947 0.548 1.561 1.00 30.22 H new ATOM 0 HG2 GLU A2032 -11.865 -0.199 -1.401 1.00 65.05 H new ATOM 0 HG3 GLU A2032 -12.960 -0.879 -0.214 1.00 65.05 H new ATOM 337 N GLU A2033 -10.380 2.563 2.455 1.00 3.04 N ATOM 338 CA GLU A2033 -10.562 3.583 3.474 1.00 34.31 C ATOM 339 C GLU A2033 -9.621 4.762 3.219 1.00 71.21 C ATOM 340 O GLU A2033 -10.045 5.917 3.245 1.00 23.25 O ATOM 341 CB GLU A2033 -10.350 3.005 4.875 1.00 4.14 C ATOM 342 CG GLU A2033 -10.556 4.076 5.947 1.00 23.42 C ATOM 343 CD GLU A2033 -11.297 3.502 7.159 1.00 52.43 C ATOM 344 OE1 GLU A2033 -12.053 2.531 7.018 1.00 24.00 O ATOM 345 OE2 GLU A2033 -11.060 4.104 8.276 1.00 65.10 O ATOM 0 H GLU A2033 -9.887 1.728 2.771 1.00 3.04 H new ATOM 0 HA GLU A2033 -11.589 3.944 3.418 1.00 34.31 H new ATOM 0 HB2 GLU A2033 -11.044 2.181 5.041 1.00 4.14 H new ATOM 0 HB3 GLU A2033 -9.343 2.595 4.954 1.00 4.14 H new ATOM 0 HG2 GLU A2033 -9.590 4.473 6.261 1.00 23.42 H new ATOM 0 HG3 GLU A2033 -11.123 4.909 5.530 1.00 23.42 H new ATOM 353 N ALA A2034 -8.361 4.430 2.978 1.00 71.34 N ATOM 354 CA ALA A2034 -7.356 5.447 2.718 1.00 51.20 C ATOM 355 C ALA A2034 -7.846 6.369 1.599 1.00 64.42 C ATOM 356 O ALA A2034 -7.805 7.590 1.733 1.00 62.14 O ATOM 357 CB ALA A2034 -6.025 4.773 2.377 1.00 11.11 C ATOM 0 H ALA A2034 -8.013 3.471 2.957 1.00 71.34 H new ATOM 0 HA ALA A2034 -7.194 6.061 3.604 1.00 51.20 H new ATOM 0 HB1 ALA A2034 -5.271 5.535 2.182 1.00 11.11 H new ATOM 0 HB2 ALA A2034 -5.706 4.153 3.215 1.00 11.11 H new ATOM 0 HB3 ALA A2034 -6.149 4.150 1.491 1.00 11.11 H new ATOM 363 N SER A2035 -8.301 5.748 0.520 1.00 20.04 N ATOM 364 CA SER A2035 -8.798 6.496 -0.621 1.00 11.31 C ATOM 365 C SER A2035 -9.993 7.356 -0.202 1.00 34.01 C ATOM 366 O SER A2035 -10.046 8.545 -0.514 1.00 61.52 O ATOM 367 CB SER A2035 -9.194 5.560 -1.764 1.00 14.24 C ATOM 368 OG SER A2035 -10.030 6.208 -2.720 1.00 33.42 O ATOM 0 H SER A2035 -8.335 4.734 0.413 1.00 20.04 H new ATOM 0 HA SER A2035 -7.998 7.144 -0.979 1.00 11.31 H new ATOM 0 HB2 SER A2035 -8.295 5.192 -2.259 1.00 14.24 H new ATOM 0 HB3 SER A2035 -9.713 4.692 -1.358 1.00 14.24 H new ATOM 0 HG SER A2035 -9.575 7.004 -3.066 1.00 33.42 H new ATOM 374 N ARG A2036 -10.920 6.721 0.500 1.00 10.15 N ATOM 375 CA ARG A2036 -12.110 7.413 0.965 1.00 63.33 C ATOM 376 C ARG A2036 -11.725 8.702 1.694 1.00 40.03 C ATOM 377 O ARG A2036 -12.437 9.702 1.612 1.00 3.43 O ATOM 378 CB ARG A2036 -12.929 6.528 1.907 1.00 61.23 C ATOM 379 CG ARG A2036 -14.394 6.467 1.469 1.00 52.53 C ATOM 380 CD ARG A2036 -15.156 5.393 2.247 1.00 14.15 C ATOM 381 NE ARG A2036 -16.609 5.669 2.203 1.00 43.25 N ATOM 382 CZ ARG A2036 -17.195 6.735 2.788 1.00 55.42 C ATOM 383 NH1 ARG A2036 -16.455 7.635 3.469 1.00 32.11 N ATOM 384 NH2 ARG A2036 -18.502 6.883 2.684 1.00 55.31 N ATOM 0 H ARG A2036 -10.871 5.735 0.758 1.00 10.15 H new ATOM 0 HA ARG A2036 -12.716 7.653 0.091 1.00 63.33 H new ATOM 0 HB2 ARG A2036 -12.509 5.522 1.924 1.00 61.23 H new ATOM 0 HB3 ARG A2036 -12.866 6.917 2.923 1.00 61.23 H new ATOM 0 HG2 ARG A2036 -14.865 7.437 1.626 1.00 52.53 H new ATOM 0 HG3 ARG A2036 -14.449 6.255 0.401 1.00 52.53 H new ATOM 0 HD2 ARG A2036 -14.951 4.411 1.822 1.00 14.15 H new ATOM 0 HD3 ARG A2036 -14.813 5.370 3.281 1.00 14.15 H new ATOM 0 HE ARG A2036 -17.205 5.013 1.699 1.00 43.25 H new ATOM 0 HH11 ARG A2036 -15.445 7.512 3.544 1.00 32.11 H new ATOM 0 HH12 ARG A2036 -16.906 8.438 3.908 1.00 32.11 H new ATOM 0 HH21 ARG A2036 -19.053 6.198 2.168 1.00 55.31 H new ATOM 0 HH22 ARG A2036 -18.961 7.683 3.120 1.00 55.31 H new ATOM 396 N LEU A2037 -10.600 8.637 2.389 1.00 23.52 N ATOM 397 CA LEU A2037 -10.110 9.786 3.130 1.00 75.15 C ATOM 398 C LEU A2037 -9.598 10.842 2.149 1.00 30.42 C ATOM 399 O LEU A2037 -9.957 12.014 2.249 1.00 53.50 O ATOM 400 CB LEU A2037 -9.070 9.353 4.167 1.00 3.32 C ATOM 401 CG LEU A2037 -9.548 8.348 5.217 1.00 10.01 C ATOM 402 CD1 LEU A2037 -8.511 7.245 5.431 1.00 13.33 C ATOM 403 CD2 LEU A2037 -9.912 9.054 6.524 1.00 3.20 C ATOM 0 H LEU A2037 -10.013 7.805 2.455 1.00 23.52 H new ATOM 0 HA LEU A2037 -10.920 10.245 3.698 1.00 75.15 H new ATOM 0 HB2 LEU A2037 -8.219 8.921 3.640 1.00 3.32 H new ATOM 0 HB3 LEU A2037 -8.708 10.242 4.683 1.00 3.32 H new ATOM 0 HG LEU A2037 -10.454 7.870 4.846 1.00 10.01 H new ATOM 0 HD11 LEU A2037 -8.875 6.544 6.182 1.00 13.33 H new ATOM 0 HD12 LEU A2037 -8.343 6.717 4.493 1.00 13.33 H new ATOM 0 HD13 LEU A2037 -7.575 7.687 5.771 1.00 13.33 H new ATOM 0 HD21 LEU A2037 -10.249 8.318 7.254 1.00 3.20 H new ATOM 0 HD22 LEU A2037 -9.037 9.575 6.912 1.00 3.20 H new ATOM 0 HD23 LEU A2037 -10.710 9.773 6.339 1.00 3.20 H new ATOM 415 N TYR A2038 -8.766 10.388 1.223 1.00 4.55 N ATOM 416 CA TYR A2038 -8.200 11.279 0.224 1.00 25.41 C ATOM 417 C TYR A2038 -9.302 12.033 -0.526 1.00 31.42 C ATOM 418 O TYR A2038 -9.298 13.262 -0.567 1.00 32.00 O ATOM 419 CB TYR A2038 -7.452 10.383 -0.765 1.00 21.25 C ATOM 420 CG TYR A2038 -6.802 11.140 -1.923 1.00 43.34 C ATOM 421 CD1 TYR A2038 -5.683 11.917 -1.698 1.00 44.51 C ATOM 422 CD2 TYR A2038 -7.334 11.049 -3.193 1.00 21.40 C ATOM 423 CE1 TYR A2038 -5.070 12.630 -2.790 1.00 63.44 C ATOM 424 CE2 TYR A2038 -6.723 11.763 -4.284 1.00 13.15 C ATOM 425 CZ TYR A2038 -5.621 12.518 -4.029 1.00 42.41 C ATOM 426 OH TYR A2038 -5.043 13.193 -5.058 1.00 70.32 O ATOM 0 H TYR A2038 -8.470 9.415 1.143 1.00 4.55 H new ATOM 0 HA TYR A2038 -7.551 12.018 0.694 1.00 25.41 H new ATOM 0 HB2 TYR A2038 -6.681 9.831 -0.227 1.00 21.25 H new ATOM 0 HB3 TYR A2038 -8.147 9.648 -1.170 1.00 21.25 H new ATOM 0 HD1 TYR A2038 -5.267 11.990 -0.704 1.00 44.51 H new ATOM 0 HD2 TYR A2038 -8.210 10.442 -3.369 1.00 21.40 H new ATOM 0 HE1 TYR A2038 -4.193 13.239 -2.629 1.00 63.44 H new ATOM 0 HE2 TYR A2038 -7.131 11.700 -5.282 1.00 13.15 H new ATOM 0 HH TYR A2038 -5.541 13.020 -5.884 1.00 70.32 H new ATOM 436 N PHE A2039 -10.218 11.265 -1.095 1.00 12.12 N ATOM 437 CA PHE A2039 -11.322 11.846 -1.840 1.00 61.33 C ATOM 438 C PHE A2039 -12.361 12.454 -0.894 1.00 24.43 C ATOM 439 O PHE A2039 -13.019 13.434 -1.237 1.00 0.51 O ATOM 440 CB PHE A2039 -11.974 10.709 -2.632 1.00 13.13 C ATOM 441 CG PHE A2039 -11.147 10.232 -3.827 1.00 62.51 C ATOM 442 CD1 PHE A2039 -10.239 9.232 -3.670 1.00 23.32 C ATOM 443 CD2 PHE A2039 -11.321 10.806 -5.048 1.00 45.41 C ATOM 444 CE1 PHE A2039 -9.472 8.788 -4.779 1.00 1.54 C ATOM 445 CE2 PHE A2039 -10.554 10.364 -6.158 1.00 31.33 C ATOM 446 CZ PHE A2039 -9.646 9.363 -5.999 1.00 60.24 C ATOM 0 H PHE A2039 -10.219 10.246 -1.056 1.00 12.12 H new ATOM 0 HA PHE A2039 -10.955 12.639 -2.492 1.00 61.33 H new ATOM 0 HB2 PHE A2039 -12.147 9.866 -1.963 1.00 13.13 H new ATOM 0 HB3 PHE A2039 -12.950 11.040 -2.987 1.00 13.13 H new ATOM 0 HD1 PHE A2039 -10.101 8.775 -2.701 1.00 23.32 H new ATOM 0 HD2 PHE A2039 -12.043 11.599 -5.173 1.00 45.41 H new ATOM 0 HE1 PHE A2039 -8.751 7.994 -4.654 1.00 1.54 H new ATOM 0 HE2 PHE A2039 -10.691 10.821 -7.127 1.00 31.33 H new ATOM 0 HZ PHE A2039 -9.063 9.025 -6.843 1.00 60.24 H new ATOM 456 N GLY A2040 -12.477 11.844 0.277 1.00 20.35 N ATOM 457 CA GLY A2040 -13.424 12.311 1.273 1.00 51.32 C ATOM 458 C GLY A2040 -13.279 13.818 1.503 1.00 63.12 C ATOM 459 O GLY A2040 -14.162 14.591 1.140 1.00 23.40 O ATOM 0 H GLY A2040 -11.930 11.030 0.557 1.00 20.35 H new ATOM 0 HA2 GLY A2040 -14.440 12.085 0.949 1.00 51.32 H new ATOM 0 HA3 GLY A2040 -13.263 11.779 2.211 1.00 51.32 H new ATOM 463 N GLU A2041 -12.158 14.186 2.104 1.00 12.00 N ATOM 464 CA GLU A2041 -11.885 15.585 2.387 1.00 55.23 C ATOM 465 C GLU A2041 -10.391 15.875 2.248 1.00 25.14 C ATOM 466 O GLU A2041 -9.768 16.399 3.169 1.00 32.03 O ATOM 467 CB GLU A2041 -12.392 15.973 3.778 1.00 52.44 C ATOM 468 CG GLU A2041 -11.843 15.023 4.844 1.00 72.24 C ATOM 469 CD GLU A2041 -12.970 14.217 5.493 1.00 30.45 C ATOM 470 OE1 GLU A2041 -14.104 14.709 5.597 1.00 11.44 O ATOM 471 OE2 GLU A2041 -12.635 13.039 5.897 1.00 70.14 O ATOM 0 H GLU A2041 -11.428 13.540 2.403 1.00 12.00 H new ATOM 0 HA GLU A2041 -12.421 16.193 1.658 1.00 55.23 H new ATOM 0 HB2 GLU A2041 -12.091 16.995 4.007 1.00 52.44 H new ATOM 0 HB3 GLU A2041 -13.482 15.951 3.792 1.00 52.44 H new ATOM 0 HG2 GLU A2041 -11.119 14.344 4.393 1.00 72.24 H new ATOM 0 HG3 GLU A2041 -11.313 15.594 5.607 1.00 72.24 H new ATOM 479 N ARG A2042 -9.856 15.519 1.088 1.00 60.23 N ATOM 480 CA ARG A2042 -8.447 15.733 0.816 1.00 12.13 C ATOM 481 C ARG A2042 -7.623 15.522 2.088 1.00 61.24 C ATOM 482 O ARG A2042 -6.677 16.266 2.351 1.00 63.41 O ATOM 483 CB ARG A2042 -8.197 17.146 0.282 1.00 32.52 C ATOM 484 CG ARG A2042 -8.740 17.299 -1.139 1.00 1.20 C ATOM 485 CD ARG A2042 -8.002 16.376 -2.111 1.00 14.43 C ATOM 486 NE ARG A2042 -7.992 16.971 -3.466 1.00 72.21 N ATOM 487 CZ ARG A2042 -7.165 17.963 -3.854 1.00 13.41 C ATOM 488 NH1 ARG A2042 -6.267 18.483 -2.989 1.00 54.51 N ATOM 489 NH2 ARG A2042 -7.244 18.418 -5.089 1.00 45.01 N ATOM 0 H ARG A2042 -10.376 15.083 0.326 1.00 60.23 H new ATOM 0 HA ARG A2042 -8.142 15.012 0.058 1.00 12.13 H new ATOM 0 HB2 ARG A2042 -8.673 17.876 0.937 1.00 32.52 H new ATOM 0 HB3 ARG A2042 -7.128 17.358 0.291 1.00 32.52 H new ATOM 0 HG2 ARG A2042 -9.805 17.069 -1.152 1.00 1.20 H new ATOM 0 HG3 ARG A2042 -8.634 18.334 -1.463 1.00 1.20 H new ATOM 0 HD2 ARG A2042 -6.980 16.216 -1.768 1.00 14.43 H new ATOM 0 HD3 ARG A2042 -8.486 15.400 -2.137 1.00 14.43 H new ATOM 0 HE ARG A2042 -8.654 16.607 -4.151 1.00 72.21 H new ATOM 0 HH11 ARG A2042 -6.211 18.125 -2.035 1.00 54.51 H new ATOM 0 HH12 ARG A2042 -5.645 19.233 -3.290 1.00 54.51 H new ATOM 0 HH21 ARG A2042 -7.924 18.020 -5.737 1.00 45.01 H new ATOM 0 HH22 ARG A2042 -6.625 19.168 -5.397 1.00 45.01 H new ATOM 501 N ASN A2043 -8.010 14.506 2.844 1.00 45.02 N ATOM 502 CA ASN A2043 -7.320 14.188 4.082 1.00 23.34 C ATOM 503 C ASN A2043 -6.537 12.885 3.905 1.00 33.43 C ATOM 504 O ASN A2043 -7.055 11.803 4.186 1.00 44.52 O ATOM 505 CB ASN A2043 -8.310 13.992 5.232 1.00 45.14 C ATOM 506 CG ASN A2043 -8.767 15.339 5.798 1.00 10.04 C ATOM 507 OD1 ASN A2043 -8.534 16.391 5.227 1.00 54.14 O ATOM 508 ND2 ASN A2043 -9.423 15.246 6.950 1.00 60.14 N ATOM 0 H ASN A2043 -8.794 13.892 2.623 1.00 45.02 H new ATOM 0 HA ASN A2043 -6.654 15.018 4.318 1.00 23.34 H new ATOM 0 HB2 ASN A2043 -9.175 13.429 4.880 1.00 45.14 H new ATOM 0 HB3 ASN A2043 -7.844 13.401 6.021 1.00 45.14 H new ATOM 0 HD21 ASN A2043 -9.766 16.089 7.411 1.00 60.14 H new ATOM 0 HD22 ASN A2043 -9.583 14.332 7.373 1.00 60.14 H new ATOM 515 N VAL A2044 -5.306 13.029 3.441 1.00 62.13 N ATOM 516 CA VAL A2044 -4.448 11.877 3.222 1.00 60.11 C ATOM 517 C VAL A2044 -4.036 11.291 4.574 1.00 62.34 C ATOM 518 O VAL A2044 -3.572 10.154 4.645 1.00 14.21 O ATOM 519 CB VAL A2044 -3.253 12.270 2.352 1.00 14.03 C ATOM 520 CG1 VAL A2044 -3.715 12.773 0.982 1.00 74.13 C ATOM 521 CG2 VAL A2044 -2.383 13.314 3.055 1.00 62.34 C ATOM 0 H VAL A2044 -4.881 13.927 3.210 1.00 62.13 H new ATOM 0 HA VAL A2044 -4.985 11.099 2.679 1.00 60.11 H new ATOM 0 HB VAL A2044 -2.645 11.379 2.194 1.00 14.03 H new ATOM 0 HG11 VAL A2044 -2.846 13.046 0.383 1.00 74.13 H new ATOM 0 HG12 VAL A2044 -4.273 11.986 0.475 1.00 74.13 H new ATOM 0 HG13 VAL A2044 -4.355 13.646 1.112 1.00 74.13 H new ATOM 0 HG21 VAL A2044 -1.540 13.576 2.415 1.00 62.34 H new ATOM 0 HG22 VAL A2044 -2.976 14.206 3.257 1.00 62.34 H new ATOM 0 HG23 VAL A2044 -2.012 12.905 3.995 1.00 62.34 H new ATOM 531 N LYS A2045 -4.220 12.092 5.611 1.00 72.52 N ATOM 532 CA LYS A2045 -3.873 11.667 6.957 1.00 41.32 C ATOM 533 C LYS A2045 -4.500 10.298 7.232 1.00 15.15 C ATOM 534 O LYS A2045 -3.841 9.407 7.766 1.00 44.42 O ATOM 535 CB LYS A2045 -4.266 12.739 7.976 1.00 64.14 C ATOM 536 CG LYS A2045 -5.580 13.416 7.581 1.00 33.30 C ATOM 537 CD LYS A2045 -5.324 14.764 6.908 1.00 34.10 C ATOM 538 CE LYS A2045 -5.329 15.899 7.934 1.00 73.05 C ATOM 539 NZ LYS A2045 -4.226 16.848 7.663 1.00 53.21 N ATOM 0 H LYS A2045 -4.605 13.034 5.548 1.00 72.52 H new ATOM 0 HA LYS A2045 -2.794 11.550 7.053 1.00 41.32 H new ATOM 0 HB2 LYS A2045 -4.368 12.288 8.963 1.00 64.14 H new ATOM 0 HB3 LYS A2045 -3.475 13.486 8.047 1.00 64.14 H new ATOM 0 HG2 LYS A2045 -6.137 12.768 6.904 1.00 33.30 H new ATOM 0 HG3 LYS A2045 -6.199 13.560 8.467 1.00 33.30 H new ATOM 0 HD2 LYS A2045 -4.364 14.740 6.391 1.00 34.10 H new ATOM 0 HD3 LYS A2045 -6.088 14.948 6.153 1.00 34.10 H new ATOM 0 HE2 LYS A2045 -6.284 16.423 7.900 1.00 73.05 H new ATOM 0 HE3 LYS A2045 -5.225 15.489 8.939 1.00 73.05 H new ATOM 0 HZ1 LYS A2045 -4.244 17.612 8.369 1.00 53.21 H new ATOM 0 HZ2 LYS A2045 -3.316 16.347 7.718 1.00 53.21 H new ATOM 0 HZ3 LYS A2045 -4.342 17.252 6.712 1.00 53.21 H new ATOM 552 N GLY A2046 -5.763 10.175 6.858 1.00 45.35 N ATOM 553 CA GLY A2046 -6.487 8.931 7.056 1.00 1.23 C ATOM 554 C GLY A2046 -5.717 7.749 6.461 1.00 43.35 C ATOM 555 O GLY A2046 -5.453 6.764 7.149 1.00 51.43 O ATOM 0 H GLY A2046 -6.306 10.918 6.418 1.00 45.35 H new ATOM 0 HA2 GLY A2046 -6.649 8.765 8.121 1.00 1.23 H new ATOM 0 HA3 GLY A2046 -7.471 9.000 6.591 1.00 1.23 H new ATOM 559 N MET A2047 -5.380 7.886 5.187 1.00 14.34 N ATOM 560 CA MET A2047 -4.646 6.842 4.491 1.00 42.22 C ATOM 561 C MET A2047 -3.381 6.454 5.259 1.00 54.31 C ATOM 562 O MET A2047 -3.153 5.278 5.533 1.00 0.54 O ATOM 563 CB MET A2047 -4.264 7.333 3.093 1.00 11.34 C ATOM 564 CG MET A2047 -3.199 6.428 2.467 1.00 41.34 C ATOM 565 SD MET A2047 -1.571 7.003 2.915 1.00 24.32 S ATOM 566 CE MET A2047 -1.673 8.694 2.353 1.00 23.12 C ATOM 0 H MET A2047 -5.601 8.704 4.619 1.00 14.34 H new ATOM 0 HA MET A2047 -5.286 5.963 4.416 1.00 42.22 H new ATOM 0 HB2 MET A2047 -5.149 7.354 2.456 1.00 11.34 H new ATOM 0 HB3 MET A2047 -3.889 8.355 3.152 1.00 11.34 H new ATOM 0 HG2 MET A2047 -3.337 5.401 2.806 1.00 41.34 H new ATOM 0 HG3 MET A2047 -3.306 6.423 1.382 1.00 41.34 H new ATOM 0 HE1 MET A2047 -0.778 8.942 1.782 1.00 23.12 H new ATOM 0 HE2 MET A2047 -2.552 8.815 1.720 1.00 23.12 H new ATOM 0 HE3 MET A2047 -1.751 9.359 3.213 1.00 23.12 H new ATOM 576 N PHE A2048 -2.592 7.468 5.586 1.00 31.21 N ATOM 577 CA PHE A2048 -1.357 7.248 6.318 1.00 54.10 C ATOM 578 C PHE A2048 -1.606 6.418 7.579 1.00 1.20 C ATOM 579 O PHE A2048 -0.818 5.534 7.911 1.00 33.22 O ATOM 580 CB PHE A2048 -0.826 8.625 6.726 1.00 71.33 C ATOM 581 CG PHE A2048 -0.198 9.414 5.576 1.00 50.34 C ATOM 582 CD1 PHE A2048 0.554 8.773 4.642 1.00 62.20 C ATOM 583 CD2 PHE A2048 -0.390 10.757 5.489 1.00 50.44 C ATOM 584 CE1 PHE A2048 1.137 9.505 3.575 1.00 10.42 C ATOM 585 CE2 PHE A2048 0.194 11.491 4.422 1.00 24.24 C ATOM 586 CZ PHE A2048 0.946 10.849 3.487 1.00 53.32 C ATOM 0 H PHE A2048 -2.785 8.443 5.357 1.00 31.21 H new ATOM 0 HA PHE A2048 -0.647 6.706 5.693 1.00 54.10 H new ATOM 0 HB2 PHE A2048 -1.644 9.208 7.149 1.00 71.33 H new ATOM 0 HB3 PHE A2048 -0.084 8.498 7.514 1.00 71.33 H new ATOM 0 HD1 PHE A2048 0.708 7.706 4.712 1.00 62.20 H new ATOM 0 HD2 PHE A2048 -0.987 11.266 6.231 1.00 50.44 H new ATOM 0 HE1 PHE A2048 1.733 8.995 2.833 1.00 10.42 H new ATOM 0 HE2 PHE A2048 0.041 12.558 4.353 1.00 24.24 H new ATOM 0 HZ PHE A2048 1.391 11.406 2.676 1.00 53.32 H new ATOM 596 N GLU A2049 -2.706 6.732 8.248 1.00 5.21 N ATOM 597 CA GLU A2049 -3.070 6.025 9.464 1.00 52.22 C ATOM 598 C GLU A2049 -3.656 4.653 9.126 1.00 11.10 C ATOM 599 O GLU A2049 -3.765 3.790 9.996 1.00 53.11 O ATOM 600 CB GLU A2049 -4.049 6.848 10.302 1.00 75.51 C ATOM 601 CG GLU A2049 -3.497 8.249 10.575 1.00 4.01 C ATOM 602 CD GLU A2049 -4.583 9.165 11.143 1.00 40.33 C ATOM 603 OE1 GLU A2049 -4.727 9.268 12.371 1.00 42.02 O ATOM 604 OE2 GLU A2049 -5.289 9.787 10.261 1.00 62.34 O ATOM 0 H GLU A2049 -3.357 7.467 7.971 1.00 5.21 H new ATOM 0 HA GLU A2049 -2.169 5.876 10.059 1.00 52.22 H new ATOM 0 HB2 GLU A2049 -5.003 6.925 9.781 1.00 75.51 H new ATOM 0 HB3 GLU A2049 -4.241 6.339 11.246 1.00 75.51 H new ATOM 0 HG2 GLU A2049 -2.666 8.186 11.277 1.00 4.01 H new ATOM 0 HG3 GLU A2049 -3.103 8.675 9.652 1.00 4.01 H new ATOM 612 N VAL A2050 -4.016 4.494 7.861 1.00 32.44 N ATOM 613 CA VAL A2050 -4.588 3.242 7.399 1.00 4.13 C ATOM 614 C VAL A2050 -3.461 2.294 6.983 1.00 42.40 C ATOM 615 O VAL A2050 -3.492 1.107 7.299 1.00 65.41 O ATOM 616 CB VAL A2050 -5.591 3.507 6.276 1.00 42.44 C ATOM 617 CG1 VAL A2050 -5.814 2.251 5.430 1.00 63.55 C ATOM 618 CG2 VAL A2050 -6.914 4.033 6.835 1.00 53.15 C ATOM 0 H VAL A2050 -3.922 5.212 7.142 1.00 32.44 H new ATOM 0 HA VAL A2050 -5.142 2.756 8.202 1.00 4.13 H new ATOM 0 HB VAL A2050 -5.171 4.276 5.628 1.00 42.44 H new ATOM 0 HG11 VAL A2050 -6.532 2.468 4.639 1.00 63.55 H new ATOM 0 HG12 VAL A2050 -4.869 1.938 4.987 1.00 63.55 H new ATOM 0 HG13 VAL A2050 -6.201 1.451 6.061 1.00 63.55 H new ATOM 0 HG21 VAL A2050 -7.609 4.213 6.015 1.00 53.15 H new ATOM 0 HG22 VAL A2050 -7.340 3.296 7.517 1.00 53.15 H new ATOM 0 HG23 VAL A2050 -6.737 4.965 7.372 1.00 53.15 H new ATOM 628 N LEU A2051 -2.490 2.856 6.275 1.00 51.15 N ATOM 629 CA LEU A2051 -1.355 2.077 5.812 1.00 65.23 C ATOM 630 C LEU A2051 -0.390 1.846 6.976 1.00 30.13 C ATOM 631 O LEU A2051 0.170 0.759 7.116 1.00 11.54 O ATOM 632 CB LEU A2051 -0.705 2.747 4.599 1.00 42.30 C ATOM 633 CG LEU A2051 -1.632 3.591 3.722 1.00 50.05 C ATOM 634 CD1 LEU A2051 -1.039 3.784 2.324 1.00 31.40 C ATOM 635 CD2 LEU A2051 -3.038 2.988 3.671 1.00 13.43 C ATOM 0 H LEU A2051 -2.467 3.841 6.012 1.00 51.15 H new ATOM 0 HA LEU A2051 -1.682 1.095 5.469 1.00 65.23 H new ATOM 0 HB2 LEU A2051 0.107 3.383 4.952 1.00 42.30 H new ATOM 0 HB3 LEU A2051 -0.256 1.972 3.978 1.00 42.30 H new ATOM 0 HG LEU A2051 -1.722 4.580 4.172 1.00 50.05 H new ATOM 0 HD11 LEU A2051 -1.718 4.387 1.721 1.00 31.40 H new ATOM 0 HD12 LEU A2051 -0.077 4.290 2.404 1.00 31.40 H new ATOM 0 HD13 LEU A2051 -0.900 2.812 1.851 1.00 31.40 H new ATOM 0 HD21 LEU A2051 -3.677 3.607 3.041 1.00 13.43 H new ATOM 0 HD22 LEU A2051 -2.987 1.981 3.257 1.00 13.43 H new ATOM 0 HD23 LEU A2051 -3.453 2.946 4.678 1.00 13.43 H new ATOM 647 N GLU A2052 -0.228 2.884 7.784 1.00 1.33 N ATOM 648 CA GLU A2052 0.660 2.807 8.931 1.00 2.04 C ATOM 649 C GLU A2052 0.496 1.460 9.640 1.00 63.25 C ATOM 650 O GLU A2052 1.466 0.729 9.822 1.00 23.34 O ATOM 651 CB GLU A2052 0.409 3.968 9.895 1.00 11.34 C ATOM 652 CG GLU A2052 1.526 5.010 9.800 1.00 44.23 C ATOM 653 CD GLU A2052 2.520 4.856 10.952 1.00 75.01 C ATOM 654 OE1 GLU A2052 2.145 4.390 12.038 1.00 71.31 O ATOM 655 OE2 GLU A2052 3.723 5.241 10.690 1.00 52.33 O ATOM 0 H GLU A2052 -0.697 3.782 7.667 1.00 1.33 H new ATOM 0 HA GLU A2052 1.688 2.886 8.577 1.00 2.04 H new ATOM 0 HB2 GLU A2052 -0.549 4.435 9.666 1.00 11.34 H new ATOM 0 HB3 GLU A2052 0.344 3.591 10.916 1.00 11.34 H new ATOM 0 HG2 GLU A2052 2.047 4.903 8.849 1.00 44.23 H new ATOM 0 HG3 GLU A2052 1.096 6.012 9.818 1.00 44.23 H new ATOM 663 N PRO A2053 -0.775 1.167 10.031 1.00 12.55 N ATOM 664 CA PRO A2053 -1.079 -0.078 10.714 1.00 14.23 C ATOM 665 C PRO A2053 -1.069 -1.256 9.739 1.00 52.34 C ATOM 666 O PRO A2053 -0.419 -2.269 9.989 1.00 60.45 O ATOM 667 CB PRO A2053 -2.436 0.150 11.360 1.00 65.30 C ATOM 668 CG PRO A2053 -3.049 1.335 10.632 1.00 71.42 C ATOM 669 CD PRO A2053 -1.950 2.011 9.830 1.00 54.33 C ATOM 0 HA PRO A2053 -0.334 -0.339 11.466 1.00 14.23 H new ATOM 0 HB2 PRO A2053 -3.066 -0.734 11.267 1.00 65.30 H new ATOM 0 HB3 PRO A2053 -2.332 0.357 12.425 1.00 65.30 H new ATOM 0 HG2 PRO A2053 -3.853 1.004 9.974 1.00 71.42 H new ATOM 0 HG3 PRO A2053 -3.487 2.035 11.344 1.00 71.42 H new ATOM 0 HD2 PRO A2053 -2.214 2.079 8.775 1.00 54.33 H new ATOM 0 HD3 PRO A2053 -1.772 3.028 10.180 1.00 54.33 H new ATOM 677 N LEU A2054 -1.800 -1.084 8.646 1.00 72.40 N ATOM 678 CA LEU A2054 -1.884 -2.121 7.632 1.00 62.41 C ATOM 679 C LEU A2054 -0.475 -2.602 7.283 1.00 5.20 C ATOM 680 O LEU A2054 -0.184 -3.796 7.367 1.00 54.20 O ATOM 681 CB LEU A2054 -2.680 -1.624 6.424 1.00 41.33 C ATOM 682 CG LEU A2054 -4.203 -1.645 6.570 1.00 2.14 C ATOM 683 CD1 LEU A2054 -4.886 -1.368 5.228 1.00 23.14 C ATOM 684 CD2 LEU A2054 -4.677 -2.961 7.192 1.00 15.33 C ATOM 0 H LEU A2054 -2.339 -0.242 8.441 1.00 72.40 H new ATOM 0 HA LEU A2054 -2.431 -2.984 8.013 1.00 62.41 H new ATOM 0 HB2 LEU A2054 -2.370 -0.602 6.205 1.00 41.33 H new ATOM 0 HB3 LEU A2054 -2.409 -2.231 5.560 1.00 41.33 H new ATOM 0 HG LEU A2054 -4.491 -0.844 7.251 1.00 2.14 H new ATOM 0 HD11 LEU A2054 -5.968 -1.389 5.359 1.00 23.14 H new ATOM 0 HD12 LEU A2054 -4.584 -0.387 4.861 1.00 23.14 H new ATOM 0 HD13 LEU A2054 -4.594 -2.131 4.507 1.00 23.14 H new ATOM 0 HD21 LEU A2054 -5.763 -2.949 7.284 1.00 15.33 H new ATOM 0 HD22 LEU A2054 -4.376 -3.793 6.556 1.00 15.33 H new ATOM 0 HD23 LEU A2054 -4.230 -3.079 8.179 1.00 15.33 H new ATOM 696 N HIS A2055 0.364 -1.652 6.899 1.00 5.43 N ATOM 697 CA HIS A2055 1.735 -1.965 6.537 1.00 15.54 C ATOM 698 C HIS A2055 2.454 -2.587 7.736 1.00 71.30 C ATOM 699 O HIS A2055 3.024 -3.672 7.628 1.00 61.11 O ATOM 700 CB HIS A2055 2.452 -0.724 5.997 1.00 23.42 C ATOM 701 CG HIS A2055 1.964 -0.278 4.640 1.00 60.53 C ATOM 702 ND1 HIS A2055 2.183 0.998 4.147 1.00 64.12 N ATOM 703 CD2 HIS A2055 1.270 -0.948 3.676 1.00 32.43 C ATOM 704 CE1 HIS A2055 1.638 1.080 2.942 1.00 73.21 C ATOM 705 NE2 HIS A2055 1.073 -0.128 2.653 1.00 2.32 N ATOM 0 H HIS A2055 0.120 -0.664 6.831 1.00 5.43 H new ATOM 0 HA HIS A2055 1.742 -2.699 5.731 1.00 15.54 H new ATOM 0 HB2 HIS A2055 2.324 0.095 6.705 1.00 23.42 H new ATOM 0 HB3 HIS A2055 3.521 -0.931 5.938 1.00 23.42 H new ATOM 0 HD2 HIS A2055 0.937 -1.974 3.736 1.00 32.43 H new ATOM 0 HE1 HIS A2055 1.641 1.950 2.302 1.00 73.21 H new ATOM 0 HE2 HIS A2055 0.580 -0.362 1.791 1.00 2.32 H new ATOM 714 N ALA A2056 2.402 -1.875 8.853 1.00 63.24 N ATOM 715 CA ALA A2056 3.040 -2.344 10.070 1.00 23.23 C ATOM 716 C ALA A2056 2.624 -3.794 10.332 1.00 54.25 C ATOM 717 O ALA A2056 3.469 -4.648 10.593 1.00 23.34 O ATOM 718 CB ALA A2056 2.675 -1.414 11.229 1.00 64.53 C ATOM 0 H ALA A2056 1.927 -0.976 8.940 1.00 63.24 H new ATOM 0 HA ALA A2056 4.125 -2.325 9.967 1.00 23.23 H new ATOM 0 HB1 ALA A2056 3.154 -1.766 12.143 1.00 64.53 H new ATOM 0 HB2 ALA A2056 3.017 -0.403 11.006 1.00 64.53 H new ATOM 0 HB3 ALA A2056 1.594 -1.409 11.365 1.00 64.53 H new ATOM 724 N MET A2057 1.321 -4.026 10.255 1.00 62.13 N ATOM 725 CA MET A2057 0.783 -5.356 10.481 1.00 2.53 C ATOM 726 C MET A2057 1.491 -6.390 9.603 1.00 31.15 C ATOM 727 O MET A2057 1.771 -7.501 10.049 1.00 40.22 O ATOM 728 CB MET A2057 -0.715 -5.361 10.169 1.00 35.34 C ATOM 729 CG MET A2057 -1.033 -6.318 9.019 1.00 11.51 C ATOM 730 SD MET A2057 -2.791 -6.347 8.718 1.00 23.44 S ATOM 731 CE MET A2057 -2.806 -6.914 7.026 1.00 65.25 C ATOM 0 H MET A2057 0.623 -3.315 10.039 1.00 62.13 H new ATOM 0 HA MET A2057 0.946 -5.621 11.526 1.00 2.53 H new ATOM 0 HB2 MET A2057 -1.274 -5.656 11.057 1.00 35.34 H new ATOM 0 HB3 MET A2057 -1.039 -4.353 9.908 1.00 35.34 H new ATOM 0 HG2 MET A2057 -0.507 -6.004 8.118 1.00 11.51 H new ATOM 0 HG3 MET A2057 -0.681 -7.321 9.261 1.00 11.51 H new ATOM 0 HE1 MET A2057 -3.800 -6.771 6.603 1.00 65.25 H new ATOM 0 HE2 MET A2057 -2.080 -6.345 6.445 1.00 65.25 H new ATOM 0 HE3 MET A2057 -2.547 -7.972 6.995 1.00 65.25 H new ATOM 741 N MET A2058 1.757 -5.987 8.368 1.00 34.21 N ATOM 742 CA MET A2058 2.427 -6.864 7.424 1.00 3.15 C ATOM 743 C MET A2058 3.893 -7.070 7.810 1.00 44.51 C ATOM 744 O MET A2058 4.482 -8.106 7.502 1.00 72.11 O ATOM 745 CB MET A2058 2.349 -6.259 6.021 1.00 60.42 C ATOM 746 CG MET A2058 0.896 -6.165 5.547 1.00 0.44 C ATOM 747 SD MET A2058 0.668 -7.154 4.078 1.00 55.42 S ATOM 748 CE MET A2058 -1.043 -7.617 4.276 1.00 55.23 C ATOM 0 H MET A2058 1.520 -5.065 8.001 1.00 34.21 H new ATOM 0 HA MET A2058 1.927 -7.833 7.441 1.00 3.15 H new ATOM 0 HB2 MET A2058 2.800 -5.267 6.023 1.00 60.42 H new ATOM 0 HB3 MET A2058 2.924 -6.869 5.325 1.00 60.42 H new ATOM 0 HG2 MET A2058 0.225 -6.508 6.334 1.00 0.44 H new ATOM 0 HG3 MET A2058 0.639 -5.126 5.340 1.00 0.44 H new ATOM 0 HE1 MET A2058 -1.391 -8.120 3.374 1.00 55.23 H new ATOM 0 HE2 MET A2058 -1.142 -8.290 5.128 1.00 55.23 H new ATOM 0 HE3 MET A2058 -1.644 -6.724 4.448 1.00 55.23 H new ATOM 758 N GLU A2059 4.442 -6.066 8.478 1.00 1.02 N ATOM 759 CA GLU A2059 5.828 -6.124 8.909 1.00 15.24 C ATOM 760 C GLU A2059 5.965 -7.018 10.143 1.00 34.42 C ATOM 761 O GLU A2059 6.630 -8.049 10.096 1.00 34.35 O ATOM 762 CB GLU A2059 6.376 -4.722 9.186 1.00 71.13 C ATOM 763 CG GLU A2059 6.028 -3.763 8.044 1.00 14.10 C ATOM 764 CD GLU A2059 6.069 -4.482 6.694 1.00 11.54 C ATOM 765 OE1 GLU A2059 7.141 -4.586 6.080 1.00 44.34 O ATOM 766 OE2 GLU A2059 4.936 -4.941 6.287 1.00 45.11 O ATOM 0 H GLU A2059 3.952 -5.208 8.731 1.00 1.02 H new ATOM 0 HA GLU A2059 6.419 -6.558 8.103 1.00 15.24 H new ATOM 0 HB2 GLU A2059 5.963 -4.344 10.122 1.00 71.13 H new ATOM 0 HB3 GLU A2059 7.458 -4.768 9.310 1.00 71.13 H new ATOM 0 HG2 GLU A2059 5.035 -3.343 8.207 1.00 14.10 H new ATOM 0 HG3 GLU A2059 6.730 -2.929 8.038 1.00 14.10 H new ATOM 774 N ARG A2060 5.321 -6.588 11.219 1.00 74.43 N ATOM 775 CA ARG A2060 5.362 -7.338 12.465 1.00 41.31 C ATOM 776 C ARG A2060 4.470 -8.577 12.368 1.00 43.44 C ATOM 777 O ARG A2060 4.642 -9.530 13.126 1.00 23.13 O ATOM 778 CB ARG A2060 4.898 -6.476 13.641 1.00 42.33 C ATOM 779 CG ARG A2060 3.428 -6.084 13.489 1.00 63.31 C ATOM 780 CD ARG A2060 3.012 -5.082 14.566 1.00 71.24 C ATOM 781 NE ARG A2060 2.157 -5.749 15.574 1.00 0.11 N ATOM 782 CZ ARG A2060 1.827 -5.205 16.766 1.00 33.44 C ATOM 783 NH1 ARG A2060 2.279 -3.980 17.109 1.00 1.13 N ATOM 784 NH2 ARG A2060 1.056 -5.889 17.590 1.00 64.23 N ATOM 0 H ARG A2060 4.769 -5.731 11.254 1.00 74.43 H new ATOM 0 HA ARG A2060 6.395 -7.642 12.636 1.00 41.31 H new ATOM 0 HB2 ARG A2060 5.037 -7.022 14.574 1.00 42.33 H new ATOM 0 HB3 ARG A2060 5.513 -5.578 13.703 1.00 42.33 H new ATOM 0 HG2 ARG A2060 3.264 -5.651 12.502 1.00 63.31 H new ATOM 0 HG3 ARG A2060 2.802 -6.974 13.555 1.00 63.31 H new ATOM 0 HD2 ARG A2060 3.896 -4.664 15.047 1.00 71.24 H new ATOM 0 HD3 ARG A2060 2.473 -4.251 14.112 1.00 71.24 H new ATOM 0 HE ARG A2060 1.795 -6.677 15.355 1.00 0.11 H new ATOM 0 HH11 ARG A2060 2.874 -3.458 16.466 1.00 1.13 H new ATOM 0 HH12 ARG A2060 2.025 -3.577 18.011 1.00 1.13 H new ATOM 0 HH21 ARG A2060 0.719 -6.814 17.323 1.00 64.23 H new ATOM 0 HH22 ARG A2060 0.798 -5.493 18.494 1.00 64.23 H new ATOM 796 N GLY A2061 3.537 -8.522 11.429 1.00 65.30 N ATOM 797 CA GLY A2061 2.617 -9.630 11.222 1.00 71.24 C ATOM 798 C GLY A2061 2.808 -10.250 9.837 1.00 1.14 C ATOM 799 O GLY A2061 2.051 -9.959 8.913 1.00 15.32 O ATOM 0 H GLY A2061 3.398 -7.729 10.803 1.00 65.30 H new ATOM 0 HA2 GLY A2061 2.777 -10.388 11.989 1.00 71.24 H new ATOM 0 HA3 GLY A2061 1.590 -9.280 11.329 1.00 71.24 H new ATOM 803 N PRO A2062 3.851 -11.118 9.735 1.00 33.52 N ATOM 804 CA PRO A2062 4.151 -11.782 8.479 1.00 52.31 C ATOM 805 C PRO A2062 3.146 -12.903 8.196 1.00 55.53 C ATOM 806 O PRO A2062 2.066 -12.933 8.784 1.00 45.33 O ATOM 807 CB PRO A2062 5.577 -12.288 8.630 1.00 73.25 C ATOM 808 CG PRO A2062 5.858 -12.297 10.124 1.00 4.40 C ATOM 809 CD PRO A2062 4.767 -11.488 10.809 1.00 44.31 C ATOM 0 HA PRO A2062 4.068 -11.114 7.622 1.00 52.31 H new ATOM 0 HB2 PRO A2062 5.684 -13.286 8.206 1.00 73.25 H new ATOM 0 HB3 PRO A2062 6.279 -11.641 8.104 1.00 73.25 H new ATOM 0 HG2 PRO A2062 5.871 -13.319 10.504 1.00 4.40 H new ATOM 0 HG3 PRO A2062 6.838 -11.868 10.331 1.00 4.40 H new ATOM 0 HD2 PRO A2062 4.262 -12.075 11.576 1.00 44.31 H new ATOM 0 HD3 PRO A2062 5.177 -10.606 11.301 1.00 44.31 H new ATOM 817 N GLN A2063 3.540 -13.793 7.297 1.00 73.52 N ATOM 818 CA GLN A2063 2.687 -14.911 6.930 1.00 22.23 C ATOM 819 C GLN A2063 3.522 -16.183 6.765 1.00 15.34 C ATOM 820 O GLN A2063 3.334 -17.152 7.498 1.00 4.04 O ATOM 821 CB GLN A2063 1.899 -14.604 5.657 1.00 43.01 C ATOM 822 CG GLN A2063 0.393 -14.579 5.937 1.00 44.21 C ATOM 823 CD GLN A2063 -0.236 -15.948 5.668 1.00 73.21 C ATOM 824 OE1 GLN A2063 -0.483 -16.336 4.538 1.00 31.10 O ATOM 825 NE2 GLN A2063 -0.482 -16.655 6.767 1.00 50.34 N ATOM 0 H GLN A2063 4.437 -13.763 6.813 1.00 73.52 H new ATOM 0 HA GLN A2063 1.968 -15.073 7.733 1.00 22.23 H new ATOM 0 HB2 GLN A2063 2.214 -13.642 5.253 1.00 43.01 H new ATOM 0 HB3 GLN A2063 2.119 -15.355 4.898 1.00 43.01 H new ATOM 0 HG2 GLN A2063 0.217 -14.291 6.973 1.00 44.21 H new ATOM 0 HG3 GLN A2063 -0.085 -13.826 5.311 1.00 44.21 H new ATOM 0 HE21 GLN A2063 -0.250 -16.271 7.683 1.00 50.34 H new ATOM 0 HE22 GLN A2063 -0.902 -17.582 6.694 1.00 50.34 H new ATOM 834 N THR A2064 4.427 -16.136 5.799 1.00 4.15 N ATOM 835 CA THR A2064 5.292 -17.273 5.529 1.00 44.20 C ATOM 836 C THR A2064 6.233 -16.962 4.364 1.00 11.52 C ATOM 837 O THR A2064 6.065 -15.954 3.678 1.00 3.44 O ATOM 838 CB THR A2064 4.404 -18.494 5.280 1.00 11.53 C ATOM 839 OG1 THR A2064 5.282 -19.449 4.693 1.00 4.25 O ATOM 840 CG2 THR A2064 3.350 -18.242 4.199 1.00 21.23 C ATOM 0 H THR A2064 4.581 -15.329 5.194 1.00 4.15 H new ATOM 0 HA THR A2064 5.937 -17.489 6.380 1.00 44.20 H new ATOM 0 HB THR A2064 3.910 -18.778 6.209 1.00 11.53 H new ATOM 0 HG1 THR A2064 4.788 -20.273 4.501 1.00 4.25 H new ATOM 0 HG21 THR A2064 2.747 -19.140 4.062 1.00 21.23 H new ATOM 0 HG22 THR A2064 2.707 -17.416 4.503 1.00 21.23 H new ATOM 0 HG23 THR A2064 3.844 -17.990 3.261 1.00 21.23 H new ATOM 848 N LEU A2065 7.206 -17.843 4.178 1.00 53.44 N ATOM 849 CA LEU A2065 8.173 -17.675 3.109 1.00 15.43 C ATOM 850 C LEU A2065 7.437 -17.433 1.791 1.00 74.25 C ATOM 851 O LEU A2065 7.959 -16.772 0.895 1.00 52.45 O ATOM 852 CB LEU A2065 9.137 -18.863 3.067 1.00 53.23 C ATOM 853 CG LEU A2065 10.586 -18.540 2.697 1.00 10.21 C ATOM 854 CD1 LEU A2065 10.687 -18.052 1.249 1.00 31.34 C ATOM 855 CD2 LEU A2065 11.194 -17.539 3.683 1.00 40.14 C ATOM 0 H LEU A2065 7.344 -18.676 4.751 1.00 53.44 H new ATOM 0 HA LEU A2065 8.793 -16.797 3.292 1.00 15.43 H new ATOM 0 HB2 LEU A2065 9.132 -19.344 4.045 1.00 53.23 H new ATOM 0 HB3 LEU A2065 8.754 -19.591 2.352 1.00 53.23 H new ATOM 0 HG LEU A2065 11.169 -19.458 2.769 1.00 10.21 H new ATOM 0 HD11 LEU A2065 11.727 -17.829 1.012 1.00 31.34 H new ATOM 0 HD12 LEU A2065 10.320 -18.828 0.577 1.00 31.34 H new ATOM 0 HD13 LEU A2065 10.086 -17.151 1.126 1.00 31.34 H new ATOM 0 HD21 LEU A2065 12.224 -17.327 3.397 1.00 40.14 H new ATOM 0 HD22 LEU A2065 10.615 -16.615 3.667 1.00 40.14 H new ATOM 0 HD23 LEU A2065 11.176 -17.961 4.688 1.00 40.14 H new ATOM 867 N LYS A2066 6.233 -17.982 1.714 1.00 14.30 N ATOM 868 CA LYS A2066 5.418 -17.834 0.520 1.00 13.32 C ATOM 869 C LYS A2066 4.941 -16.385 0.409 1.00 31.24 C ATOM 870 O LYS A2066 4.824 -15.848 -0.692 1.00 35.34 O ATOM 871 CB LYS A2066 4.281 -18.857 0.519 1.00 64.45 C ATOM 872 CG LYS A2066 3.614 -18.934 -0.857 1.00 53.40 C ATOM 873 CD LYS A2066 2.615 -20.091 -0.919 1.00 5.32 C ATOM 874 CE LYS A2066 2.105 -20.299 -2.345 1.00 64.43 C ATOM 875 NZ LYS A2066 2.542 -21.613 -2.867 1.00 51.33 N ATOM 0 H LYS A2066 5.803 -18.530 2.459 1.00 14.30 H new ATOM 0 HA LYS A2066 6.007 -18.045 -0.372 1.00 13.32 H new ATOM 0 HB2 LYS A2066 4.669 -19.838 0.794 1.00 64.45 H new ATOM 0 HB3 LYS A2066 3.541 -18.584 1.271 1.00 64.45 H new ATOM 0 HG2 LYS A2066 3.102 -17.995 -1.070 1.00 53.40 H new ATOM 0 HG3 LYS A2066 4.375 -19.064 -1.627 1.00 53.40 H new ATOM 0 HD2 LYS A2066 3.089 -21.005 -0.562 1.00 5.32 H new ATOM 0 HD3 LYS A2066 1.775 -19.887 -0.255 1.00 5.32 H new ATOM 0 HE2 LYS A2066 1.017 -20.239 -2.360 1.00 64.43 H new ATOM 0 HE3 LYS A2066 2.477 -19.503 -2.990 1.00 64.43 H new ATOM 0 HZ1 LYS A2066 2.187 -21.737 -3.836 1.00 51.33 H new ATOM 0 HZ2 LYS A2066 3.581 -21.657 -2.871 1.00 51.33 H new ATOM 0 HZ3 LYS A2066 2.166 -22.370 -2.261 1.00 51.33 H new ATOM 888 N GLU A2067 4.679 -15.791 1.566 1.00 21.04 N ATOM 889 CA GLU A2067 4.217 -14.414 1.613 1.00 62.21 C ATOM 890 C GLU A2067 5.409 -13.455 1.628 1.00 12.11 C ATOM 891 O GLU A2067 5.265 -12.274 1.316 1.00 3.34 O ATOM 892 CB GLU A2067 3.309 -14.181 2.823 1.00 23.20 C ATOM 893 CG GLU A2067 1.836 -14.350 2.442 1.00 40.33 C ATOM 894 CD GLU A2067 1.417 -13.311 1.399 1.00 44.43 C ATOM 895 OE1 GLU A2067 1.868 -12.157 1.455 1.00 32.31 O ATOM 896 OE2 GLU A2067 0.592 -13.739 0.504 1.00 50.44 O ATOM 0 H GLU A2067 4.778 -16.239 2.477 1.00 21.04 H new ATOM 0 HA GLU A2067 3.629 -14.217 0.717 1.00 62.21 H new ATOM 0 HB2 GLU A2067 3.566 -14.883 3.616 1.00 23.20 H new ATOM 0 HB3 GLU A2067 3.474 -13.179 3.219 1.00 23.20 H new ATOM 0 HG2 GLU A2067 1.671 -15.353 2.048 1.00 40.33 H new ATOM 0 HG3 GLU A2067 1.213 -14.250 3.331 1.00 40.33 H new ATOM 904 N THR A2068 6.560 -13.998 1.998 1.00 53.22 N ATOM 905 CA THR A2068 7.777 -13.205 2.061 1.00 64.54 C ATOM 906 C THR A2068 8.074 -12.579 0.698 1.00 45.23 C ATOM 907 O THR A2068 8.669 -11.505 0.619 1.00 62.41 O ATOM 908 CB THR A2068 8.901 -14.105 2.574 1.00 64.32 C ATOM 909 OG1 THR A2068 8.587 -14.306 3.948 1.00 52.10 O ATOM 910 CG2 THR A2068 10.255 -13.393 2.600 1.00 13.24 C ATOM 0 H THR A2068 6.676 -14.978 2.257 1.00 53.22 H new ATOM 0 HA THR A2068 7.670 -12.369 2.752 1.00 64.54 H new ATOM 0 HB THR A2068 8.970 -14.993 1.945 1.00 64.32 H new ATOM 0 HG1 THR A2068 7.795 -14.879 4.022 1.00 52.10 H new ATOM 0 HG21 THR A2068 11.018 -14.076 2.972 1.00 13.24 H new ATOM 0 HG22 THR A2068 10.516 -13.071 1.592 1.00 13.24 H new ATOM 0 HG23 THR A2068 10.196 -12.523 3.255 1.00 13.24 H new ATOM 918 N SER A2069 7.645 -13.276 -0.346 1.00 44.01 N ATOM 919 CA SER A2069 7.859 -12.801 -1.703 1.00 33.21 C ATOM 920 C SER A2069 6.899 -11.649 -2.011 1.00 22.04 C ATOM 921 O SER A2069 7.249 -10.723 -2.742 1.00 3.24 O ATOM 922 CB SER A2069 7.674 -13.931 -2.717 1.00 10.41 C ATOM 923 OG SER A2069 6.331 -14.404 -2.752 1.00 73.23 O ATOM 0 H SER A2069 7.150 -14.166 -0.279 1.00 44.01 H new ATOM 0 HA SER A2069 8.885 -12.442 -1.783 1.00 33.21 H new ATOM 0 HB2 SER A2069 7.960 -13.579 -3.708 1.00 10.41 H new ATOM 0 HB3 SER A2069 8.342 -14.755 -2.467 1.00 10.41 H new ATOM 0 HG SER A2069 6.119 -14.851 -1.906 1.00 73.23 H new ATOM 929 N PHE A2070 5.710 -11.744 -1.437 1.00 41.33 N ATOM 930 CA PHE A2070 4.696 -10.721 -1.642 1.00 30.44 C ATOM 931 C PHE A2070 5.127 -9.392 -1.018 1.00 42.50 C ATOM 932 O PHE A2070 5.015 -8.341 -1.649 1.00 73.34 O ATOM 933 CB PHE A2070 3.424 -11.207 -0.947 1.00 42.53 C ATOM 934 CG PHE A2070 2.285 -10.186 -0.950 1.00 43.12 C ATOM 935 CD1 PHE A2070 2.217 -9.237 0.020 1.00 14.51 C ATOM 936 CD2 PHE A2070 1.336 -10.228 -1.925 1.00 43.52 C ATOM 937 CE1 PHE A2070 1.161 -8.289 0.018 1.00 45.12 C ATOM 938 CE2 PHE A2070 0.278 -9.281 -1.929 1.00 1.21 C ATOM 939 CZ PHE A2070 0.214 -8.332 -0.957 1.00 51.03 C ATOM 0 H PHE A2070 5.424 -12.512 -0.830 1.00 41.33 H new ATOM 0 HA PHE A2070 4.540 -10.559 -2.709 1.00 30.44 H new ATOM 0 HB2 PHE A2070 3.082 -12.120 -1.435 1.00 42.53 H new ATOM 0 HB3 PHE A2070 3.662 -11.467 0.084 1.00 42.53 H new ATOM 0 HD1 PHE A2070 2.969 -9.204 0.795 1.00 14.51 H new ATOM 0 HD2 PHE A2070 1.388 -10.982 -2.696 1.00 43.52 H new ATOM 0 HE1 PHE A2070 1.110 -7.535 0.789 1.00 45.12 H new ATOM 0 HE2 PHE A2070 -0.475 -9.314 -2.703 1.00 1.21 H new ATOM 0 HZ PHE A2070 -0.590 -7.611 -0.959 1.00 51.03 H new ATOM 949 N ASN A2071 5.612 -9.481 0.212 1.00 54.51 N ATOM 950 CA ASN A2071 6.061 -8.297 0.927 1.00 72.53 C ATOM 951 C ASN A2071 7.387 -7.820 0.335 1.00 5.10 C ATOM 952 O ASN A2071 7.703 -6.633 0.388 1.00 41.42 O ATOM 953 CB ASN A2071 6.288 -8.603 2.409 1.00 64.11 C ATOM 954 CG ASN A2071 6.375 -7.314 3.227 1.00 74.31 C ATOM 955 OD1 ASN A2071 5.461 -6.507 3.264 1.00 52.03 O ATOM 956 ND2 ASN A2071 7.523 -7.163 3.880 1.00 62.20 N ATOM 0 H ASN A2071 5.704 -10.354 0.732 1.00 54.51 H new ATOM 0 HA ASN A2071 5.291 -7.532 0.829 1.00 72.53 H new ATOM 0 HB2 ASN A2071 5.474 -9.222 2.785 1.00 64.11 H new ATOM 0 HB3 ASN A2071 7.207 -9.177 2.529 1.00 64.11 H new ATOM 0 HD21 ASN A2071 7.678 -6.334 4.454 1.00 62.20 H new ATOM 0 HD22 ASN A2071 8.249 -7.876 3.807 1.00 62.20 H new ATOM 963 N GLN A2072 8.128 -8.770 -0.217 1.00 22.02 N ATOM 964 CA GLN A2072 9.414 -8.462 -0.820 1.00 71.41 C ATOM 965 C GLN A2072 9.216 -7.856 -2.211 1.00 22.31 C ATOM 966 O GLN A2072 9.721 -6.771 -2.497 1.00 20.31 O ATOM 967 CB GLN A2072 10.303 -9.706 -0.883 1.00 54.34 C ATOM 968 CG GLN A2072 11.081 -9.891 0.419 1.00 32.22 C ATOM 969 CD GLN A2072 12.297 -10.797 0.209 1.00 74.04 C ATOM 970 OE1 GLN A2072 12.459 -11.431 -0.820 1.00 60.43 O ATOM 971 NE2 GLN A2072 13.139 -10.821 1.239 1.00 73.25 N ATOM 0 H GLN A2072 7.862 -9.754 -0.259 1.00 22.02 H new ATOM 0 HA GLN A2072 9.920 -7.727 -0.194 1.00 71.41 H new ATOM 0 HB2 GLN A2072 9.689 -10.587 -1.072 1.00 54.34 H new ATOM 0 HB3 GLN A2072 10.999 -9.618 -1.717 1.00 54.34 H new ATOM 0 HG2 GLN A2072 11.407 -8.920 0.793 1.00 32.22 H new ATOM 0 HG3 GLN A2072 10.429 -10.322 1.178 1.00 32.22 H new ATOM 0 HE21 GLN A2072 12.943 -10.265 2.071 1.00 73.25 H new ATOM 0 HE22 GLN A2072 13.981 -11.395 1.196 1.00 73.25 H new ATOM 980 N ALA A2073 8.482 -8.585 -3.040 1.00 74.01 N ATOM 981 CA ALA A2073 8.213 -8.135 -4.393 1.00 42.13 C ATOM 982 C ALA A2073 7.914 -6.634 -4.377 1.00 63.44 C ATOM 983 O ALA A2073 8.392 -5.892 -5.233 1.00 50.32 O ATOM 984 CB ALA A2073 7.062 -8.952 -4.985 1.00 51.03 C ATOM 0 H ALA A2073 8.066 -9.484 -2.799 1.00 74.01 H new ATOM 0 HA ALA A2073 9.084 -8.291 -5.029 1.00 42.13 H new ATOM 0 HB1 ALA A2073 6.861 -8.613 -6.001 1.00 51.03 H new ATOM 0 HB2 ALA A2073 7.336 -10.007 -5.002 1.00 51.03 H new ATOM 0 HB3 ALA A2073 6.169 -8.818 -4.374 1.00 51.03 H new ATOM 990 N TYR A2074 7.122 -6.232 -3.392 1.00 2.34 N ATOM 991 CA TYR A2074 6.753 -4.834 -3.253 1.00 43.11 C ATOM 992 C TYR A2074 7.609 -4.144 -2.188 1.00 22.30 C ATOM 993 O TYR A2074 7.699 -2.918 -2.156 1.00 24.04 O ATOM 994 CB TYR A2074 5.291 -4.826 -2.800 1.00 61.20 C ATOM 995 CG TYR A2074 4.361 -5.658 -3.686 1.00 4.42 C ATOM 996 CD1 TYR A2074 4.434 -5.544 -5.060 1.00 34.42 C ATOM 997 CD2 TYR A2074 3.449 -6.522 -3.112 1.00 13.32 C ATOM 998 CE1 TYR A2074 3.558 -6.326 -5.893 1.00 25.25 C ATOM 999 CE2 TYR A2074 2.575 -7.303 -3.945 1.00 2.40 C ATOM 1000 CZ TYR A2074 2.672 -7.168 -5.295 1.00 53.54 C ATOM 1001 OH TYR A2074 1.845 -7.906 -6.083 1.00 75.22 O ATOM 0 H TYR A2074 6.726 -6.850 -2.684 1.00 2.34 H new ATOM 0 HA TYR A2074 6.902 -4.303 -4.193 1.00 43.11 H new ATOM 0 HB2 TYR A2074 5.236 -5.202 -1.778 1.00 61.20 H new ATOM 0 HB3 TYR A2074 4.933 -3.797 -2.780 1.00 61.20 H new ATOM 0 HD1 TYR A2074 5.147 -4.869 -5.509 1.00 34.42 H new ATOM 0 HD2 TYR A2074 3.392 -6.611 -2.037 1.00 13.32 H new ATOM 0 HE1 TYR A2074 3.603 -6.246 -6.969 1.00 25.25 H new ATOM 0 HE2 TYR A2074 1.857 -7.982 -3.508 1.00 2.40 H new ATOM 0 HH TYR A2074 1.267 -8.463 -5.520 1.00 75.22 H new ATOM 1011 N GLY A2075 8.213 -4.964 -1.340 1.00 12.25 N ATOM 1012 CA GLY A2075 9.057 -4.449 -0.277 1.00 11.10 C ATOM 1013 C GLY A2075 9.917 -3.284 -0.774 1.00 3.11 C ATOM 1014 O GLY A2075 10.268 -2.392 -0.003 1.00 74.04 O ATOM 0 H GLY A2075 8.134 -5.981 -1.368 1.00 12.25 H new ATOM 0 HA2 GLY A2075 8.437 -4.118 0.556 1.00 11.10 H new ATOM 0 HA3 GLY A2075 9.699 -5.245 0.100 1.00 11.10 H new ATOM 1018 N ARG A2076 10.233 -3.330 -2.060 1.00 5.54 N ATOM 1019 CA ARG A2076 11.044 -2.291 -2.668 1.00 0.44 C ATOM 1020 C ARG A2076 10.200 -1.043 -2.934 1.00 75.32 C ATOM 1021 O ARG A2076 10.618 0.070 -2.625 1.00 54.11 O ATOM 1022 CB ARG A2076 11.659 -2.772 -3.985 1.00 45.34 C ATOM 1023 CG ARG A2076 13.073 -2.219 -4.166 1.00 73.21 C ATOM 1024 CD ARG A2076 13.399 -2.018 -5.648 1.00 32.24 C ATOM 1025 NE ARG A2076 13.735 -3.317 -6.272 1.00 51.51 N ATOM 1026 CZ ARG A2076 14.344 -3.446 -7.470 1.00 14.15 C ATOM 1027 NH1 ARG A2076 14.690 -2.353 -8.183 1.00 62.12 N ATOM 1028 NH2 ARG A2076 14.597 -4.655 -7.932 1.00 52.23 N ATOM 0 H ARG A2076 9.941 -4.071 -2.697 1.00 5.54 H new ATOM 0 HA ARG A2076 11.846 -2.048 -1.971 1.00 0.44 H new ATOM 0 HB2 ARG A2076 11.686 -3.862 -4.001 1.00 45.34 H new ATOM 0 HB3 ARG A2076 11.032 -2.457 -4.819 1.00 45.34 H new ATOM 0 HG2 ARG A2076 13.166 -1.270 -3.638 1.00 73.21 H new ATOM 0 HG3 ARG A2076 13.795 -2.904 -3.721 1.00 73.21 H new ATOM 0 HD2 ARG A2076 12.547 -1.569 -6.159 1.00 32.24 H new ATOM 0 HD3 ARG A2076 14.235 -1.327 -5.755 1.00 32.24 H new ATOM 0 HE ARG A2076 13.491 -4.168 -5.765 1.00 51.51 H new ATOM 0 HH11 ARG A2076 14.492 -1.422 -7.817 1.00 62.12 H new ATOM 0 HH12 ARG A2076 15.150 -2.459 -9.087 1.00 62.12 H new ATOM 0 HH21 ARG A2076 14.333 -5.475 -7.386 1.00 52.23 H new ATOM 0 HH22 ARG A2076 15.056 -4.770 -8.835 1.00 52.23 H new ATOM 1040 N ASP A2077 9.025 -1.272 -3.501 1.00 33.30 N ATOM 1041 CA ASP A2077 8.117 -0.182 -3.810 1.00 41.12 C ATOM 1042 C ASP A2077 7.695 0.510 -2.511 1.00 31.34 C ATOM 1043 O ASP A2077 7.892 1.713 -2.354 1.00 74.23 O ATOM 1044 CB ASP A2077 6.853 -0.696 -4.503 1.00 2.24 C ATOM 1045 CG ASP A2077 7.097 -1.473 -5.799 1.00 33.33 C ATOM 1046 OD1 ASP A2077 7.102 -2.713 -5.808 1.00 23.32 O ATOM 1047 OD2 ASP A2077 7.289 -0.743 -6.845 1.00 34.13 O ATOM 0 H ASP A2077 8.681 -2.198 -3.755 1.00 33.30 H new ATOM 0 HA ASP A2077 8.636 0.510 -4.473 1.00 41.12 H new ATOM 0 HB2 ASP A2077 6.311 -1.338 -3.808 1.00 2.24 H new ATOM 0 HB3 ASP A2077 6.206 0.153 -4.722 1.00 2.24 H new ATOM 1053 N LEU A2078 7.127 -0.284 -1.614 1.00 74.21 N ATOM 1054 CA LEU A2078 6.677 0.236 -0.335 1.00 61.05 C ATOM 1055 C LEU A2078 7.814 1.021 0.321 1.00 5.55 C ATOM 1056 O LEU A2078 7.603 2.120 0.830 1.00 31.05 O ATOM 1057 CB LEU A2078 6.123 -0.891 0.538 1.00 14.34 C ATOM 1058 CG LEU A2078 4.713 -1.375 0.196 1.00 74.30 C ATOM 1059 CD1 LEU A2078 4.676 -2.020 -1.191 1.00 75.42 C ATOM 1060 CD2 LEU A2078 4.176 -2.312 1.280 1.00 0.34 C ATOM 0 H LEU A2078 6.969 -1.283 -1.748 1.00 74.21 H new ATOM 0 HA LEU A2078 5.850 0.932 -0.477 1.00 61.05 H new ATOM 0 HB2 LEU A2078 6.803 -1.741 0.474 1.00 14.34 H new ATOM 0 HB3 LEU A2078 6.129 -0.556 1.575 1.00 14.34 H new ATOM 0 HG LEU A2078 4.053 -0.508 0.165 1.00 74.30 H new ATOM 0 HD11 LEU A2078 3.662 -2.355 -1.409 1.00 75.42 H new ATOM 0 HD12 LEU A2078 4.986 -1.291 -1.940 1.00 75.42 H new ATOM 0 HD13 LEU A2078 5.353 -2.874 -1.213 1.00 75.42 H new ATOM 0 HD21 LEU A2078 3.172 -2.641 1.012 1.00 0.34 H new ATOM 0 HD22 LEU A2078 4.831 -3.179 1.369 1.00 0.34 H new ATOM 0 HD23 LEU A2078 4.142 -1.784 2.233 1.00 0.34 H new ATOM 1072 N MET A2079 8.997 0.423 0.288 1.00 52.40 N ATOM 1073 CA MET A2079 10.170 1.051 0.873 1.00 75.01 C ATOM 1074 C MET A2079 10.334 2.487 0.366 1.00 21.32 C ATOM 1075 O MET A2079 10.486 3.415 1.159 1.00 33.14 O ATOM 1076 CB MET A2079 11.415 0.239 0.516 1.00 55.03 C ATOM 1077 CG MET A2079 11.815 -0.686 1.668 1.00 42.44 C ATOM 1078 SD MET A2079 12.241 0.279 3.106 1.00 12.22 S ATOM 1079 CE MET A2079 13.879 0.818 2.645 1.00 73.13 C ATOM 0 H MET A2079 9.168 -0.489 -0.135 1.00 52.40 H new ATOM 0 HA MET A2079 10.042 1.080 1.955 1.00 75.01 H new ATOM 0 HB2 MET A2079 11.224 -0.352 -0.380 1.00 55.03 H new ATOM 0 HB3 MET A2079 12.239 0.913 0.283 1.00 55.03 H new ATOM 0 HG2 MET A2079 10.993 -1.362 1.904 1.00 42.44 H new ATOM 0 HG3 MET A2079 12.662 -1.305 1.371 1.00 42.44 H new ATOM 0 HE1 MET A2079 14.588 0.535 3.423 1.00 73.13 H new ATOM 0 HE2 MET A2079 14.166 0.347 1.705 1.00 73.13 H new ATOM 0 HE3 MET A2079 13.885 1.901 2.525 1.00 73.13 H new ATOM 1089 N GLU A2080 10.295 2.624 -0.951 1.00 24.34 N ATOM 1090 CA GLU A2080 10.436 3.929 -1.572 1.00 11.22 C ATOM 1091 C GLU A2080 9.181 4.771 -1.332 1.00 23.31 C ATOM 1092 O GLU A2080 9.271 5.926 -0.922 1.00 50.52 O ATOM 1093 CB GLU A2080 10.729 3.796 -3.068 1.00 4.34 C ATOM 1094 CG GLU A2080 10.876 5.171 -3.722 1.00 1.41 C ATOM 1095 CD GLU A2080 11.709 5.082 -5.004 1.00 30.41 C ATOM 1096 OE1 GLU A2080 12.625 4.249 -5.091 1.00 71.32 O ATOM 1097 OE2 GLU A2080 11.377 5.916 -5.929 1.00 63.13 O ATOM 0 H GLU A2080 10.168 1.852 -1.605 1.00 24.34 H new ATOM 0 HA GLU A2080 11.284 4.438 -1.113 1.00 11.22 H new ATOM 0 HB2 GLU A2080 11.643 3.221 -3.213 1.00 4.34 H new ATOM 0 HB3 GLU A2080 9.924 3.243 -3.552 1.00 4.34 H new ATOM 0 HG2 GLU A2080 9.890 5.576 -3.952 1.00 1.41 H new ATOM 0 HG3 GLU A2080 11.349 5.861 -3.024 1.00 1.41 H new ATOM 1105 N ALA A2081 8.037 4.157 -1.599 1.00 63.33 N ATOM 1106 CA ALA A2081 6.765 4.835 -1.417 1.00 70.33 C ATOM 1107 C ALA A2081 6.690 5.398 0.004 1.00 44.52 C ATOM 1108 O ALA A2081 6.238 6.525 0.205 1.00 4.43 O ATOM 1109 CB ALA A2081 5.621 3.865 -1.722 1.00 30.12 C ATOM 0 H ALA A2081 7.965 3.198 -1.940 1.00 63.33 H new ATOM 0 HA ALA A2081 6.675 5.673 -2.108 1.00 70.33 H new ATOM 0 HB1 ALA A2081 4.667 4.374 -1.585 1.00 30.12 H new ATOM 0 HB2 ALA A2081 5.703 3.518 -2.752 1.00 30.12 H new ATOM 0 HB3 ALA A2081 5.677 3.012 -1.046 1.00 30.12 H new ATOM 1115 N GLN A2082 7.140 4.588 0.950 1.00 55.34 N ATOM 1116 CA GLN A2082 7.129 4.993 2.346 1.00 5.13 C ATOM 1117 C GLN A2082 8.048 6.198 2.557 1.00 35.23 C ATOM 1118 O GLN A2082 7.715 7.114 3.307 1.00 71.24 O ATOM 1119 CB GLN A2082 7.532 3.830 3.256 1.00 54.32 C ATOM 1120 CG GLN A2082 7.607 4.279 4.717 1.00 73.40 C ATOM 1121 CD GLN A2082 6.728 3.397 5.607 1.00 65.44 C ATOM 1122 OE1 GLN A2082 6.707 2.184 5.496 1.00 1.33 O ATOM 1123 NE2 GLN A2082 6.003 4.075 6.493 1.00 51.00 N ATOM 0 H GLN A2082 7.514 3.655 0.779 1.00 55.34 H new ATOM 0 HA GLN A2082 6.113 5.285 2.612 1.00 5.13 H new ATOM 0 HB2 GLN A2082 6.810 3.019 3.157 1.00 54.32 H new ATOM 0 HB3 GLN A2082 8.499 3.436 2.943 1.00 54.32 H new ATOM 0 HG2 GLN A2082 8.640 4.235 5.062 1.00 73.40 H new ATOM 0 HG3 GLN A2082 7.287 5.318 4.799 1.00 73.40 H new ATOM 0 HE21 GLN A2082 6.068 5.092 6.533 1.00 51.00 H new ATOM 0 HE22 GLN A2082 5.383 3.578 7.132 1.00 51.00 H new ATOM 1132 N GLU A2083 9.188 6.158 1.882 1.00 1.35 N ATOM 1133 CA GLU A2083 10.157 7.235 1.986 1.00 52.54 C ATOM 1134 C GLU A2083 9.522 8.564 1.571 1.00 33.21 C ATOM 1135 O GLU A2083 9.778 9.597 2.186 1.00 54.34 O ATOM 1136 CB GLU A2083 11.400 6.936 1.147 1.00 0.43 C ATOM 1137 CG GLU A2083 11.627 8.025 0.095 1.00 53.22 C ATOM 1138 CD GLU A2083 12.931 7.787 -0.669 1.00 64.21 C ATOM 1139 OE1 GLU A2083 13.935 8.466 -0.410 1.00 42.13 O ATOM 1140 OE2 GLU A2083 12.878 6.855 -1.559 1.00 42.30 O ATOM 0 H GLU A2083 9.462 5.396 1.261 1.00 1.35 H new ATOM 0 HA GLU A2083 10.471 7.315 3.027 1.00 52.54 H new ATOM 0 HB2 GLU A2083 12.273 6.865 1.796 1.00 0.43 H new ATOM 0 HB3 GLU A2083 11.288 5.969 0.656 1.00 0.43 H new ATOM 0 HG2 GLU A2083 10.790 8.041 -0.603 1.00 53.22 H new ATOM 0 HG3 GLU A2083 11.658 9.002 0.578 1.00 53.22 H new ATOM 1148 N TRP A2084 8.704 8.491 0.531 1.00 53.53 N ATOM 1149 CA TRP A2084 8.029 9.677 0.027 1.00 1.10 C ATOM 1150 C TRP A2084 6.954 10.074 1.038 1.00 53.40 C ATOM 1151 O TRP A2084 6.649 11.257 1.191 1.00 25.32 O ATOM 1152 CB TRP A2084 7.470 9.433 -1.376 1.00 62.21 C ATOM 1153 CG TRP A2084 8.541 9.178 -2.439 1.00 2.33 C ATOM 1154 CD1 TRP A2084 8.971 8.000 -2.911 1.00 55.22 C ATOM 1155 CD2 TRP A2084 9.304 10.178 -3.147 1.00 73.41 C ATOM 1156 NE1 TRP A2084 9.952 8.166 -3.867 1.00 53.21 N ATOM 1157 CE2 TRP A2084 10.162 9.533 -4.016 1.00 33.52 C ATOM 1158 CE3 TRP A2084 9.273 11.581 -3.056 1.00 23.42 C ATOM 1159 CZ2 TRP A2084 11.050 10.210 -4.860 1.00 73.10 C ATOM 1160 CZ3 TRP A2084 10.168 12.242 -3.906 1.00 61.55 C ATOM 1161 CH2 TRP A2084 11.036 11.607 -4.786 1.00 54.12 C ATOM 0 H TRP A2084 8.493 7.631 0.024 1.00 53.53 H new ATOM 0 HA TRP A2084 8.730 10.505 -0.078 1.00 1.10 H new ATOM 0 HB2 TRP A2084 6.795 8.578 -1.343 1.00 62.21 H new ATOM 0 HB3 TRP A2084 6.876 10.297 -1.674 1.00 62.21 H new ATOM 0 HD1 TRP A2084 8.597 7.041 -2.584 1.00 55.22 H new ATOM 0 HE1 TRP A2084 10.435 7.423 -4.372 1.00 53.21 H new ATOM 0 HE3 TRP A2084 8.611 12.107 -2.384 1.00 23.42 H new ATOM 0 HZ2 TRP A2084 11.710 9.682 -5.532 1.00 73.10 H new ATOM 0 HZ3 TRP A2084 10.185 13.321 -3.876 1.00 61.55 H new ATOM 0 HH2 TRP A2084 11.697 12.190 -5.410 1.00 54.12 H new ATOM 1172 N CYS A2085 6.410 9.066 1.704 1.00 33.02 N ATOM 1173 CA CYS A2085 5.375 9.298 2.697 1.00 14.04 C ATOM 1174 C CYS A2085 6.007 10.018 3.890 1.00 35.21 C ATOM 1175 O CYS A2085 5.595 11.121 4.242 1.00 43.41 O ATOM 1176 CB CYS A2085 4.691 7.994 3.114 1.00 53.22 C ATOM 1177 SG CYS A2085 3.676 8.271 4.611 1.00 54.04 S ATOM 0 H CYS A2085 6.666 8.087 1.575 1.00 33.02 H new ATOM 0 HA CYS A2085 4.591 9.924 2.271 1.00 14.04 H new ATOM 0 HB2 CYS A2085 4.063 7.627 2.302 1.00 53.22 H new ATOM 0 HB3 CYS A2085 5.440 7.227 3.309 1.00 53.22 H new ATOM 0 HG CYS A2085 2.483 8.653 4.262 1.00 54.04 H new ATOM 1183 N ARG A2086 6.994 9.361 4.481 1.00 44.41 N ATOM 1184 CA ARG A2086 7.688 9.925 5.628 1.00 63.42 C ATOM 1185 C ARG A2086 8.383 11.231 5.239 1.00 31.13 C ATOM 1186 O ARG A2086 8.452 12.163 6.038 1.00 13.53 O ATOM 1187 CB ARG A2086 8.726 8.947 6.179 1.00 33.32 C ATOM 1188 CG ARG A2086 9.689 8.490 5.081 1.00 61.33 C ATOM 1189 CD ARG A2086 10.024 7.005 5.230 1.00 42.42 C ATOM 1190 NE ARG A2086 11.472 6.789 5.011 1.00 54.43 N ATOM 1191 CZ ARG A2086 12.161 5.734 5.495 1.00 3.33 C ATOM 1192 NH1 ARG A2086 11.538 4.787 6.229 1.00 12.24 N ATOM 1193 NH2 ARG A2086 13.453 5.643 5.240 1.00 40.24 N ATOM 0 H ARG A2086 7.330 8.444 4.188 1.00 44.41 H new ATOM 0 HA ARG A2086 6.945 10.122 6.401 1.00 63.42 H new ATOM 0 HB2 ARG A2086 9.287 9.422 6.984 1.00 33.32 H new ATOM 0 HB3 ARG A2086 8.222 8.081 6.609 1.00 33.32 H new ATOM 0 HG2 ARG A2086 9.243 8.670 4.103 1.00 61.33 H new ATOM 0 HG3 ARG A2086 10.605 9.080 5.127 1.00 61.33 H new ATOM 0 HD2 ARG A2086 9.742 6.658 6.224 1.00 42.42 H new ATOM 0 HD3 ARG A2086 9.448 6.420 4.513 1.00 42.42 H new ATOM 0 HE ARG A2086 11.981 7.480 4.460 1.00 54.43 H new ATOM 0 HH11 ARG A2086 10.539 4.866 6.421 1.00 12.24 H new ATOM 0 HH12 ARG A2086 12.066 3.993 6.591 1.00 12.24 H new ATOM 0 HH21 ARG A2086 13.915 6.363 4.685 1.00 40.24 H new ATOM 0 HH22 ARG A2086 13.989 4.852 5.598 1.00 40.24 H new ATOM 1205 N LYS A2087 8.881 11.256 4.011 1.00 62.22 N ATOM 1206 CA LYS A2087 9.569 12.432 3.506 1.00 74.14 C ATOM 1207 C LYS A2087 8.567 13.580 3.362 1.00 22.13 C ATOM 1208 O LYS A2087 8.927 14.746 3.520 1.00 72.31 O ATOM 1209 CB LYS A2087 10.316 12.102 2.214 1.00 42.04 C ATOM 1210 CG LYS A2087 10.948 13.357 1.609 1.00 72.21 C ATOM 1211 CD LYS A2087 10.266 13.737 0.293 1.00 2.31 C ATOM 1212 CE LYS A2087 11.267 13.728 -0.864 1.00 4.01 C ATOM 1213 NZ LYS A2087 11.784 15.094 -1.111 1.00 71.51 N ATOM 0 H LYS A2087 8.822 10.480 3.351 1.00 62.22 H new ATOM 0 HA LYS A2087 10.332 12.760 4.212 1.00 74.14 H new ATOM 0 HB2 LYS A2087 11.090 11.362 2.417 1.00 42.04 H new ATOM 0 HB3 LYS A2087 9.628 11.655 1.496 1.00 42.04 H new ATOM 0 HG2 LYS A2087 10.870 14.184 2.315 1.00 72.21 H new ATOM 0 HG3 LYS A2087 12.010 13.186 1.435 1.00 72.21 H new ATOM 0 HD2 LYS A2087 9.456 13.038 0.084 1.00 2.31 H new ATOM 0 HD3 LYS A2087 9.818 14.726 0.384 1.00 2.31 H new ATOM 0 HE2 LYS A2087 12.093 13.056 -0.633 1.00 4.01 H new ATOM 0 HE3 LYS A2087 10.787 13.345 -1.765 1.00 4.01 H new ATOM 0 HZ1 LYS A2087 12.462 15.071 -1.899 1.00 71.51 H new ATOM 0 HZ2 LYS A2087 10.994 15.726 -1.352 1.00 71.51 H new ATOM 0 HZ3 LYS A2087 12.259 15.445 -0.255 1.00 71.51 H new ATOM 1226 N TYR A2088 7.330 13.211 3.063 1.00 24.04 N ATOM 1227 CA TYR A2088 6.276 14.194 2.896 1.00 40.12 C ATOM 1228 C TYR A2088 5.756 14.679 4.251 1.00 20.15 C ATOM 1229 O TYR A2088 5.354 15.832 4.389 1.00 1.21 O ATOM 1230 CB TYR A2088 5.143 13.478 2.156 1.00 33.00 C ATOM 1231 CG TYR A2088 3.757 14.076 2.410 1.00 14.34 C ATOM 1232 CD1 TYR A2088 3.157 13.925 3.642 1.00 64.52 C ATOM 1233 CD2 TYR A2088 3.110 14.766 1.406 1.00 22.41 C ATOM 1234 CE1 TYR A2088 1.852 14.486 3.882 1.00 11.13 C ATOM 1235 CE2 TYR A2088 1.806 15.329 1.646 1.00 4.00 C ATOM 1236 CZ TYR A2088 1.241 15.161 2.871 1.00 13.41 C ATOM 1237 OH TYR A2088 0.010 15.693 3.097 1.00 5.00 O ATOM 0 H TYR A2088 7.035 12.243 2.932 1.00 24.04 H new ATOM 0 HA TYR A2088 6.647 15.063 2.353 1.00 40.12 H new ATOM 0 HB2 TYR A2088 5.348 13.505 1.086 1.00 33.00 H new ATOM 0 HB3 TYR A2088 5.135 12.429 2.453 1.00 33.00 H new ATOM 0 HD1 TYR A2088 3.666 13.386 4.428 1.00 64.52 H new ATOM 0 HD2 TYR A2088 3.581 14.884 0.441 1.00 22.41 H new ATOM 0 HE1 TYR A2088 1.370 14.373 4.842 1.00 11.13 H new ATOM 0 HE2 TYR A2088 1.288 15.873 0.870 1.00 4.00 H new ATOM 0 HH TYR A2088 -0.304 16.147 2.287 1.00 5.00 H new ATOM 1247 N MET A2089 5.784 13.772 5.217 1.00 31.20 N ATOM 1248 CA MET A2089 5.322 14.092 6.557 1.00 22.21 C ATOM 1249 C MET A2089 6.306 15.021 7.268 1.00 71.35 C ATOM 1250 O MET A2089 5.899 15.875 8.057 1.00 30.03 O ATOM 1251 CB MET A2089 5.162 12.802 7.363 1.00 50.05 C ATOM 1252 CG MET A2089 4.040 11.932 6.793 1.00 70.33 C ATOM 1253 SD MET A2089 3.184 11.095 8.118 1.00 64.30 S ATOM 1254 CE MET A2089 1.493 11.387 7.628 1.00 73.44 C ATOM 0 H MET A2089 6.119 12.816 5.098 1.00 31.20 H new ATOM 0 HA MET A2089 4.362 14.603 6.479 1.00 22.21 H new ATOM 0 HB2 MET A2089 6.099 12.245 7.353 1.00 50.05 H new ATOM 0 HB3 MET A2089 4.946 13.044 8.404 1.00 50.05 H new ATOM 0 HG2 MET A2089 3.340 12.549 6.230 1.00 70.33 H new ATOM 0 HG3 MET A2089 4.453 11.202 6.097 1.00 70.33 H new ATOM 0 HE1 MET A2089 0.909 10.478 7.776 1.00 73.44 H new ATOM 0 HE2 MET A2089 1.073 12.191 8.233 1.00 73.44 H new ATOM 0 HE3 MET A2089 1.463 11.671 6.576 1.00 73.44 H new ATOM 1264 N LYS A2090 7.580 14.828 6.965 1.00 62.41 N ATOM 1265 CA LYS A2090 8.626 15.637 7.568 1.00 4.21 C ATOM 1266 C LYS A2090 8.837 16.896 6.722 1.00 3.31 C ATOM 1267 O LYS A2090 9.362 17.896 7.212 1.00 1.13 O ATOM 1268 CB LYS A2090 9.897 14.810 7.767 1.00 74.21 C ATOM 1269 CG LYS A2090 10.466 15.013 9.173 1.00 61.42 C ATOM 1270 CD LYS A2090 11.247 16.325 9.264 1.00 61.50 C ATOM 1271 CE LYS A2090 11.070 16.974 10.640 1.00 5.44 C ATOM 1272 NZ LYS A2090 12.362 17.021 11.359 1.00 12.34 N ATOM 0 H LYS A2090 7.913 14.122 6.309 1.00 62.41 H new ATOM 0 HA LYS A2090 8.330 15.965 8.564 1.00 4.21 H new ATOM 0 HB2 LYS A2090 9.677 13.754 7.608 1.00 74.21 H new ATOM 0 HB3 LYS A2090 10.642 15.096 7.024 1.00 74.21 H new ATOM 0 HG2 LYS A2090 9.654 15.018 9.901 1.00 61.42 H new ATOM 0 HG3 LYS A2090 11.119 14.178 9.429 1.00 61.42 H new ATOM 0 HD2 LYS A2090 12.305 16.136 9.080 1.00 61.50 H new ATOM 0 HD3 LYS A2090 10.906 17.010 8.488 1.00 61.50 H new ATOM 0 HE2 LYS A2090 10.674 17.983 10.525 1.00 5.44 H new ATOM 0 HE3 LYS A2090 10.342 16.411 11.224 1.00 5.44 H new ATOM 0 HZ1 LYS A2090 12.225 17.464 12.290 1.00 12.34 H new ATOM 0 HZ2 LYS A2090 12.724 16.054 11.485 1.00 12.34 H new ATOM 0 HZ3 LYS A2090 13.046 17.578 10.808 1.00 12.34 H new ATOM 1285 N SER A2091 8.418 16.806 5.469 1.00 1.15 N ATOM 1286 CA SER A2091 8.557 17.926 4.552 1.00 21.41 C ATOM 1287 C SER A2091 7.177 18.472 4.182 1.00 42.23 C ATOM 1288 O SER A2091 6.771 19.527 4.668 1.00 45.14 O ATOM 1289 CB SER A2091 9.320 17.515 3.290 1.00 32.35 C ATOM 1290 OG SER A2091 9.606 18.629 2.452 1.00 72.33 O ATOM 0 H SER A2091 7.982 15.976 5.067 1.00 1.15 H new ATOM 0 HA SER A2091 9.130 18.708 5.051 1.00 21.41 H new ATOM 0 HB2 SER A2091 10.252 17.026 3.573 1.00 32.35 H new ATOM 0 HB3 SER A2091 8.733 16.784 2.734 1.00 32.35 H new ATOM 0 HG SER A2091 10.095 18.325 1.659 1.00 72.33 H new ATOM 1296 N GLY A2092 6.492 17.729 3.325 1.00 73.24 N ATOM 1297 CA GLY A2092 5.163 18.125 2.884 1.00 15.54 C ATOM 1298 C GLY A2092 5.180 18.548 1.415 1.00 62.04 C ATOM 1299 O GLY A2092 5.737 19.590 1.069 1.00 43.44 O ATOM 0 H GLY A2092 6.831 16.855 2.924 1.00 73.24 H new ATOM 0 HA2 GLY A2092 4.468 17.296 3.020 1.00 15.54 H new ATOM 0 HA3 GLY A2092 4.801 18.949 3.500 1.00 15.54 H new ATOM 1303 N ASN A2093 4.558 17.722 0.588 1.00 24.34 N ATOM 1304 CA ASN A2093 4.494 17.996 -0.838 1.00 61.12 C ATOM 1305 C ASN A2093 3.521 17.017 -1.498 1.00 61.33 C ATOM 1306 O ASN A2093 3.781 15.815 -1.547 1.00 51.15 O ATOM 1307 CB ASN A2093 5.862 17.818 -1.497 1.00 24.43 C ATOM 1308 CG ASN A2093 6.319 19.113 -2.172 1.00 31.34 C ATOM 1309 OD1 ASN A2093 5.546 20.028 -2.403 1.00 11.25 O ATOM 1310 ND2 ASN A2093 7.613 19.137 -2.474 1.00 41.13 N ATOM 0 H ASN A2093 4.093 16.862 0.878 1.00 24.34 H new ATOM 0 HA ASN A2093 4.164 19.027 -0.967 1.00 61.12 H new ATOM 0 HB2 ASN A2093 6.594 17.517 -0.748 1.00 24.43 H new ATOM 0 HB3 ASN A2093 5.813 17.017 -2.235 1.00 24.43 H new ATOM 0 HD21 ASN A2093 8.016 19.957 -2.928 1.00 41.13 H new ATOM 0 HD22 ASN A2093 8.203 18.335 -2.252 1.00 41.13 H new ATOM 1317 N VAL A2094 2.419 17.567 -1.988 1.00 34.14 N ATOM 1318 CA VAL A2094 1.406 16.755 -2.643 1.00 12.12 C ATOM 1319 C VAL A2094 2.058 15.930 -3.754 1.00 44.04 C ATOM 1320 O VAL A2094 1.777 14.742 -3.896 1.00 3.04 O ATOM 1321 CB VAL A2094 0.269 17.647 -3.148 1.00 15.44 C ATOM 1322 CG1 VAL A2094 0.593 18.221 -4.528 1.00 65.12 C ATOM 1323 CG2 VAL A2094 -1.057 16.884 -3.169 1.00 44.23 C ATOM 0 H VAL A2094 2.205 18.563 -1.945 1.00 34.14 H new ATOM 0 HA VAL A2094 0.963 16.053 -1.937 1.00 12.12 H new ATOM 0 HB VAL A2094 0.165 18.482 -2.455 1.00 15.44 H new ATOM 0 HG11 VAL A2094 -0.231 18.851 -4.863 1.00 65.12 H new ATOM 0 HG12 VAL A2094 1.504 18.817 -4.470 1.00 65.12 H new ATOM 0 HG13 VAL A2094 0.738 17.405 -5.237 1.00 65.12 H new ATOM 0 HG21 VAL A2094 -1.848 17.540 -3.532 1.00 44.23 H new ATOM 0 HG22 VAL A2094 -0.970 16.021 -3.829 1.00 44.23 H new ATOM 0 HG23 VAL A2094 -1.299 16.547 -2.161 1.00 44.23 H new ATOM 1333 N LYS A2095 2.916 16.595 -4.515 1.00 52.31 N ATOM 1334 CA LYS A2095 3.610 15.940 -5.609 1.00 4.43 C ATOM 1335 C LYS A2095 4.221 14.630 -5.108 1.00 12.22 C ATOM 1336 O LYS A2095 4.084 13.590 -5.752 1.00 24.41 O ATOM 1337 CB LYS A2095 4.629 16.889 -6.244 1.00 62.20 C ATOM 1338 CG LYS A2095 5.512 17.539 -5.178 1.00 33.44 C ATOM 1339 CD LYS A2095 6.924 16.949 -5.201 1.00 21.44 C ATOM 1340 CE LYS A2095 7.966 18.033 -5.479 1.00 11.30 C ATOM 1341 NZ LYS A2095 8.233 18.136 -6.930 1.00 44.40 N ATOM 0 H LYS A2095 3.146 17.581 -4.394 1.00 52.31 H new ATOM 0 HA LYS A2095 2.909 15.684 -6.404 1.00 4.43 H new ATOM 0 HB2 LYS A2095 5.251 16.340 -6.951 1.00 62.20 H new ATOM 0 HB3 LYS A2095 4.108 17.661 -6.810 1.00 62.20 H new ATOM 0 HG2 LYS A2095 5.561 18.615 -5.347 1.00 33.44 H new ATOM 0 HG3 LYS A2095 5.068 17.391 -4.193 1.00 33.44 H new ATOM 0 HD2 LYS A2095 7.138 16.471 -4.245 1.00 21.44 H new ATOM 0 HD3 LYS A2095 6.986 16.175 -5.966 1.00 21.44 H new ATOM 0 HE2 LYS A2095 7.612 18.992 -5.100 1.00 11.30 H new ATOM 0 HE3 LYS A2095 8.890 17.802 -4.949 1.00 11.30 H new ATOM 0 HZ1 LYS A2095 8.943 18.877 -7.101 1.00 44.40 H new ATOM 0 HZ2 LYS A2095 8.591 17.225 -7.283 1.00 44.40 H new ATOM 0 HZ3 LYS A2095 7.353 18.378 -7.429 1.00 44.40 H new ATOM 1354 N ASP A2096 4.883 14.722 -3.965 1.00 71.34 N ATOM 1355 CA ASP A2096 5.515 13.556 -3.369 1.00 71.55 C ATOM 1356 C ASP A2096 4.439 12.536 -2.990 1.00 13.33 C ATOM 1357 O ASP A2096 4.627 11.334 -3.173 1.00 4.42 O ATOM 1358 CB ASP A2096 6.277 13.932 -2.097 1.00 54.31 C ATOM 1359 CG ASP A2096 6.392 12.815 -1.056 1.00 45.52 C ATOM 1360 OD1 ASP A2096 7.498 12.462 -0.621 1.00 14.34 O ATOM 1361 OD2 ASP A2096 5.270 12.295 -0.690 1.00 10.21 O ATOM 0 H ASP A2096 4.996 15.586 -3.435 1.00 71.34 H new ATOM 0 HA ASP A2096 6.211 13.141 -4.098 1.00 71.55 H new ATOM 0 HB2 ASP A2096 7.281 14.254 -2.375 1.00 54.31 H new ATOM 0 HB3 ASP A2096 5.784 14.788 -1.636 1.00 54.31 H new ATOM 1367 N LEU A2097 3.335 13.051 -2.470 1.00 13.32 N ATOM 1368 CA LEU A2097 2.230 12.201 -2.065 1.00 34.20 C ATOM 1369 C LEU A2097 1.759 11.376 -3.267 1.00 75.23 C ATOM 1370 O LEU A2097 1.567 10.167 -3.156 1.00 15.21 O ATOM 1371 CB LEU A2097 1.121 13.033 -1.419 1.00 62.41 C ATOM 1372 CG LEU A2097 0.429 12.404 -0.207 1.00 51.33 C ATOM 1373 CD1 LEU A2097 -0.596 13.365 0.399 1.00 4.54 C ATOM 1374 CD2 LEU A2097 -0.196 11.056 -0.572 1.00 1.01 C ATOM 0 H LEU A2097 3.182 14.048 -2.320 1.00 13.32 H new ATOM 0 HA LEU A2097 2.554 11.496 -1.300 1.00 34.20 H new ATOM 0 HB2 LEU A2097 1.543 13.991 -1.115 1.00 62.41 H new ATOM 0 HB3 LEU A2097 0.365 13.244 -2.175 1.00 62.41 H new ATOM 0 HG LEU A2097 1.183 12.214 0.557 1.00 51.33 H new ATOM 0 HD11 LEU A2097 -1.073 12.894 1.258 1.00 4.54 H new ATOM 0 HD12 LEU A2097 -0.094 14.278 0.718 1.00 4.54 H new ATOM 0 HD13 LEU A2097 -1.352 13.609 -0.347 1.00 4.54 H new ATOM 0 HD21 LEU A2097 -0.681 10.630 0.306 1.00 1.01 H new ATOM 0 HD22 LEU A2097 -0.934 11.199 -1.361 1.00 1.01 H new ATOM 0 HD23 LEU A2097 0.582 10.377 -0.922 1.00 1.01 H new ATOM 1386 N THR A2098 1.587 12.066 -4.384 1.00 12.33 N ATOM 1387 CA THR A2098 1.143 11.413 -5.605 1.00 33.23 C ATOM 1388 C THR A2098 2.138 10.329 -6.021 1.00 43.34 C ATOM 1389 O THR A2098 1.740 9.229 -6.404 1.00 53.11 O ATOM 1390 CB THR A2098 0.936 12.492 -6.669 1.00 53.43 C ATOM 1391 OG1 THR A2098 -0.231 13.187 -6.237 1.00 0.52 O ATOM 1392 CG2 THR A2098 0.540 11.907 -8.026 1.00 61.41 C ATOM 0 H THR A2098 1.747 13.070 -4.470 1.00 12.33 H new ATOM 0 HA THR A2098 0.194 10.898 -5.457 1.00 33.23 H new ATOM 0 HB THR A2098 1.851 13.075 -6.777 1.00 53.43 H new ATOM 0 HG1 THR A2098 -0.436 13.906 -6.870 1.00 0.52 H new ATOM 0 HG21 THR A2098 0.405 12.715 -8.745 1.00 61.41 H new ATOM 0 HG22 THR A2098 1.325 11.237 -8.376 1.00 61.41 H new ATOM 0 HG23 THR A2098 -0.393 11.352 -7.925 1.00 61.41 H new ATOM 1400 N GLN A2099 3.414 10.678 -5.935 1.00 45.12 N ATOM 1401 CA GLN A2099 4.468 9.748 -6.300 1.00 14.24 C ATOM 1402 C GLN A2099 4.413 8.505 -5.411 1.00 30.03 C ATOM 1403 O GLN A2099 4.439 7.379 -5.908 1.00 70.34 O ATOM 1404 CB GLN A2099 5.843 10.418 -6.218 1.00 34.33 C ATOM 1405 CG GLN A2099 6.578 10.329 -7.557 1.00 11.21 C ATOM 1406 CD GLN A2099 7.338 11.622 -7.851 1.00 4.44 C ATOM 1407 OE1 GLN A2099 6.831 12.720 -7.696 1.00 73.03 O ATOM 1408 NE2 GLN A2099 8.581 11.432 -8.284 1.00 34.30 N ATOM 0 H GLN A2099 3.741 11.591 -5.618 1.00 45.12 H new ATOM 0 HA GLN A2099 4.310 9.439 -7.333 1.00 14.24 H new ATOM 0 HB2 GLN A2099 5.725 11.463 -5.933 1.00 34.33 H new ATOM 0 HB3 GLN A2099 6.438 9.940 -5.440 1.00 34.33 H new ATOM 0 HG2 GLN A2099 7.274 9.490 -7.539 1.00 11.21 H new ATOM 0 HG3 GLN A2099 5.863 10.133 -8.356 1.00 11.21 H new ATOM 0 HE21 GLN A2099 8.944 10.485 -8.392 1.00 34.30 H new ATOM 0 HE22 GLN A2099 9.171 12.233 -8.508 1.00 34.30 H new ATOM 1417 N ALA A2100 4.336 8.748 -4.111 1.00 54.21 N ATOM 1418 CA ALA A2100 4.274 7.661 -3.148 1.00 33.02 C ATOM 1419 C ALA A2100 3.050 6.792 -3.443 1.00 70.13 C ATOM 1420 O ALA A2100 3.158 5.570 -3.536 1.00 53.41 O ATOM 1421 CB ALA A2100 4.252 8.236 -1.730 1.00 11.24 C ATOM 0 H ALA A2100 4.315 9.682 -3.702 1.00 54.21 H new ATOM 0 HA ALA A2100 5.156 7.026 -3.229 1.00 33.02 H new ATOM 0 HB1 ALA A2100 4.205 7.421 -1.008 1.00 11.24 H new ATOM 0 HB2 ALA A2100 5.156 8.820 -1.560 1.00 11.24 H new ATOM 0 HB3 ALA A2100 3.378 8.877 -1.611 1.00 11.24 H new ATOM 1427 N TRP A2101 1.912 7.457 -3.583 1.00 72.43 N ATOM 1428 CA TRP A2101 0.668 6.761 -3.866 1.00 34.04 C ATOM 1429 C TRP A2101 0.851 5.976 -5.166 1.00 54.31 C ATOM 1430 O TRP A2101 0.264 4.909 -5.339 1.00 74.22 O ATOM 1431 CB TRP A2101 -0.508 7.739 -3.917 1.00 72.32 C ATOM 1432 CG TRP A2101 -1.559 7.506 -2.829 1.00 4.55 C ATOM 1433 CD1 TRP A2101 -1.928 8.341 -1.848 1.00 1.23 C ATOM 1434 CD2 TRP A2101 -2.365 6.323 -2.652 1.00 52.04 C ATOM 1435 NE1 TRP A2101 -2.909 7.785 -1.054 1.00 30.21 N ATOM 1436 CE2 TRP A2101 -3.185 6.518 -1.558 1.00 13.15 C ATOM 1437 CE3 TRP A2101 -2.402 5.128 -3.391 1.00 31.52 C ATOM 1438 CZ2 TRP A2101 -4.099 5.561 -1.106 1.00 53.14 C ATOM 1439 CZ3 TRP A2101 -3.323 4.180 -2.926 1.00 1.20 C ATOM 1440 CH2 TRP A2101 -4.154 4.362 -1.826 1.00 41.44 C ATOM 0 H TRP A2101 1.826 8.470 -3.506 1.00 72.43 H new ATOM 0 HA TRP A2101 0.428 6.059 -3.067 1.00 34.04 H new ATOM 0 HB2 TRP A2101 -0.126 8.756 -3.827 1.00 72.32 H new ATOM 0 HB3 TRP A2101 -0.987 7.664 -4.893 1.00 72.32 H new ATOM 0 HD1 TRP A2101 -1.510 9.325 -1.698 1.00 1.23 H new ATOM 0 HE1 TRP A2101 -3.351 8.222 -0.246 1.00 30.21 H new ATOM 0 HE3 TRP A2101 -1.770 4.954 -4.250 1.00 31.52 H new ATOM 0 HZ2 TRP A2101 -4.729 5.738 -0.247 1.00 53.14 H new ATOM 0 HZ3 TRP A2101 -3.392 3.243 -3.459 1.00 1.20 H new ATOM 0 HH2 TRP A2101 -4.839 3.582 -1.529 1.00 41.44 H new ATOM 1451 N ASP A2102 1.668 6.534 -6.046 1.00 52.31 N ATOM 1452 CA ASP A2102 1.936 5.899 -7.326 1.00 31.31 C ATOM 1453 C ASP A2102 2.581 4.533 -7.088 1.00 31.35 C ATOM 1454 O ASP A2102 2.124 3.523 -7.621 1.00 53.44 O ATOM 1455 CB ASP A2102 2.901 6.738 -8.165 1.00 21.11 C ATOM 1456 CG ASP A2102 2.494 6.919 -9.630 1.00 60.21 C ATOM 1457 OD1 ASP A2102 1.751 6.101 -10.192 1.00 1.03 O ATOM 1458 OD2 ASP A2102 2.980 7.966 -10.205 1.00 53.54 O ATOM 0 H ASP A2102 2.154 7.419 -5.899 1.00 52.31 H new ATOM 0 HA ASP A2102 0.990 5.799 -7.857 1.00 31.31 H new ATOM 0 HB2 ASP A2102 2.997 7.722 -7.706 1.00 21.11 H new ATOM 0 HB3 ASP A2102 3.886 6.273 -8.132 1.00 21.11 H new ATOM 1464 N LEU A2103 3.635 4.543 -6.285 1.00 74.12 N ATOM 1465 CA LEU A2103 4.349 3.319 -5.968 1.00 42.21 C ATOM 1466 C LEU A2103 3.362 2.284 -5.425 1.00 61.21 C ATOM 1467 O LEU A2103 3.300 1.160 -5.920 1.00 54.41 O ATOM 1468 CB LEU A2103 5.519 3.607 -5.025 1.00 75.54 C ATOM 1469 CG LEU A2103 6.777 4.186 -5.674 1.00 32.24 C ATOM 1470 CD1 LEU A2103 6.601 5.674 -5.981 1.00 52.23 C ATOM 1471 CD2 LEU A2103 8.011 3.921 -4.808 1.00 2.33 C ATOM 0 H LEU A2103 4.012 5.382 -5.844 1.00 74.12 H new ATOM 0 HA LEU A2103 4.794 2.895 -6.868 1.00 42.21 H new ATOM 0 HB2 LEU A2103 5.178 4.301 -4.257 1.00 75.54 H new ATOM 0 HB3 LEU A2103 5.789 2.680 -4.519 1.00 75.54 H new ATOM 0 HG LEU A2103 6.935 3.678 -6.625 1.00 32.24 H new ATOM 0 HD11 LEU A2103 7.510 6.060 -6.442 1.00 52.23 H new ATOM 0 HD12 LEU A2103 5.763 5.808 -6.664 1.00 52.23 H new ATOM 0 HD13 LEU A2103 6.405 6.216 -5.056 1.00 52.23 H new ATOM 0 HD21 LEU A2103 8.892 4.343 -5.292 1.00 2.33 H new ATOM 0 HD22 LEU A2103 7.876 4.385 -3.831 1.00 2.33 H new ATOM 0 HD23 LEU A2103 8.144 2.846 -4.684 1.00 2.33 H new ATOM 1483 N TYR A2104 2.613 2.701 -4.415 1.00 22.51 N ATOM 1484 CA TYR A2104 1.631 1.825 -3.800 1.00 12.24 C ATOM 1485 C TYR A2104 0.660 1.271 -4.843 1.00 60.14 C ATOM 1486 O TYR A2104 0.514 0.056 -4.978 1.00 72.22 O ATOM 1487 CB TYR A2104 0.855 2.693 -2.806 1.00 42.45 C ATOM 1488 CG TYR A2104 1.599 2.958 -1.496 1.00 73.35 C ATOM 1489 CD1 TYR A2104 2.253 1.927 -0.854 1.00 15.23 C ATOM 1490 CD2 TYR A2104 1.616 4.228 -0.957 1.00 4.41 C ATOM 1491 CE1 TYR A2104 2.954 2.176 0.380 1.00 54.45 C ATOM 1492 CE2 TYR A2104 2.316 4.479 0.276 1.00 21.05 C ATOM 1493 CZ TYR A2104 2.952 3.439 0.884 1.00 45.33 C ATOM 1494 OH TYR A2104 3.612 3.675 2.048 1.00 3.41 O ATOM 0 H TYR A2104 2.667 3.634 -4.007 1.00 22.51 H new ATOM 0 HA TYR A2104 2.120 0.977 -3.321 1.00 12.24 H new ATOM 0 HB2 TYR A2104 0.621 3.647 -3.278 1.00 42.45 H new ATOM 0 HB3 TYR A2104 -0.095 2.208 -2.580 1.00 42.45 H new ATOM 0 HD1 TYR A2104 2.240 0.933 -1.276 1.00 15.23 H new ATOM 0 HD2 TYR A2104 1.104 5.035 -1.460 1.00 4.41 H new ATOM 0 HE1 TYR A2104 3.469 1.378 0.893 1.00 54.45 H new ATOM 0 HE2 TYR A2104 2.336 5.468 0.709 1.00 21.05 H new ATOM 0 HH TYR A2104 3.526 4.622 2.287 1.00 3.41 H new ATOM 1504 N TYR A2105 0.019 2.188 -5.553 1.00 45.33 N ATOM 1505 CA TYR A2105 -0.934 1.807 -6.581 1.00 4.02 C ATOM 1506 C TYR A2105 -0.355 0.721 -7.492 1.00 52.33 C ATOM 1507 O TYR A2105 -1.078 -0.164 -7.948 1.00 14.42 O ATOM 1508 CB TYR A2105 -1.190 3.067 -7.409 1.00 41.43 C ATOM 1509 CG TYR A2105 -2.601 3.154 -7.994 1.00 3.03 C ATOM 1510 CD1 TYR A2105 -3.276 2.000 -8.340 1.00 13.02 C ATOM 1511 CD2 TYR A2105 -3.199 4.384 -8.174 1.00 23.34 C ATOM 1512 CE1 TYR A2105 -4.605 2.081 -8.889 1.00 52.21 C ATOM 1513 CE2 TYR A2105 -4.527 4.464 -8.723 1.00 75.24 C ATOM 1514 CZ TYR A2105 -5.165 3.309 -9.055 1.00 55.13 C ATOM 1515 OH TYR A2105 -6.420 3.386 -9.573 1.00 32.11 O ATOM 0 H TYR A2105 0.141 3.194 -5.436 1.00 45.33 H new ATOM 0 HA TYR A2105 -1.844 1.411 -6.131 1.00 4.02 H new ATOM 0 HB2 TYR A2105 -1.013 3.942 -6.784 1.00 41.43 H new ATOM 0 HB3 TYR A2105 -0.467 3.106 -8.224 1.00 41.43 H new ATOM 0 HD1 TYR A2105 -2.807 1.037 -8.199 1.00 13.02 H new ATOM 0 HD2 TYR A2105 -2.671 5.286 -7.903 1.00 23.34 H new ATOM 0 HE1 TYR A2105 -5.145 1.186 -9.163 1.00 52.21 H new ATOM 0 HE2 TYR A2105 -5.007 5.421 -8.868 1.00 75.24 H new ATOM 0 HH TYR A2105 -6.692 4.326 -9.634 1.00 32.11 H new ATOM 1525 N HIS A2106 0.944 0.827 -7.730 1.00 5.20 N ATOM 1526 CA HIS A2106 1.629 -0.135 -8.578 1.00 2.43 C ATOM 1527 C HIS A2106 1.554 -1.525 -7.942 1.00 1.51 C ATOM 1528 O HIS A2106 1.103 -2.477 -8.577 1.00 43.31 O ATOM 1529 CB HIS A2106 3.066 0.313 -8.856 1.00 41.03 C ATOM 1530 CG HIS A2106 3.418 0.373 -10.325 1.00 61.21 C ATOM 1531 ND1 HIS A2106 4.520 1.056 -10.805 1.00 55.30 N ATOM 1532 CD2 HIS A2106 2.800 -0.173 -11.412 1.00 74.22 C ATOM 1533 CE1 HIS A2106 4.555 0.922 -12.122 1.00 24.53 C ATOM 1534 NE2 HIS A2106 3.488 0.160 -12.496 1.00 52.03 N ATOM 0 H HIS A2106 1.540 1.563 -7.351 1.00 5.20 H new ATOM 0 HA HIS A2106 1.133 -0.190 -9.547 1.00 2.43 H new ATOM 0 HB2 HIS A2106 3.220 1.298 -8.415 1.00 41.03 H new ATOM 0 HB3 HIS A2106 3.752 -0.371 -8.356 1.00 41.03 H new ATOM 0 HD2 HIS A2106 1.903 -0.774 -11.393 1.00 74.22 H new ATOM 0 HE1 HIS A2106 5.298 1.342 -12.783 1.00 24.53 H new ATOM 0 HE2 HIS A2106 3.257 -0.110 -13.452 1.00 52.03 H new ATOM 1543 N VAL A2107 2.004 -1.596 -6.699 1.00 24.30 N ATOM 1544 CA VAL A2107 1.994 -2.853 -5.971 1.00 23.24 C ATOM 1545 C VAL A2107 0.547 -3.263 -5.687 1.00 73.12 C ATOM 1546 O VAL A2107 0.163 -4.405 -5.931 1.00 65.44 O ATOM 1547 CB VAL A2107 2.840 -2.732 -4.702 1.00 63.03 C ATOM 1548 CG1 VAL A2107 4.075 -1.863 -4.950 1.00 50.51 C ATOM 1549 CG2 VAL A2107 2.009 -2.185 -3.539 1.00 43.42 C ATOM 0 H VAL A2107 2.378 -0.804 -6.177 1.00 24.30 H new ATOM 0 HA VAL A2107 2.444 -3.643 -6.571 1.00 23.24 H new ATOM 0 HB VAL A2107 3.181 -3.731 -4.429 1.00 63.03 H new ATOM 0 HG11 VAL A2107 4.660 -1.792 -4.033 1.00 50.51 H new ATOM 0 HG12 VAL A2107 4.684 -2.311 -5.735 1.00 50.51 H new ATOM 0 HG13 VAL A2107 3.762 -0.866 -5.259 1.00 50.51 H new ATOM 0 HG21 VAL A2107 2.634 -2.109 -2.649 1.00 43.42 H new ATOM 0 HG22 VAL A2107 1.625 -1.198 -3.798 1.00 43.42 H new ATOM 0 HG23 VAL A2107 1.175 -2.858 -3.340 1.00 43.42 H new ATOM 1559 N PHE A2108 -0.215 -2.306 -5.177 1.00 45.55 N ATOM 1560 CA PHE A2108 -1.610 -2.552 -4.858 1.00 71.31 C ATOM 1561 C PHE A2108 -2.398 -2.950 -6.108 1.00 3.34 C ATOM 1562 O PHE A2108 -3.377 -3.691 -6.020 1.00 52.52 O ATOM 1563 CB PHE A2108 -2.181 -1.242 -4.308 1.00 65.31 C ATOM 1564 CG PHE A2108 -1.969 -1.053 -2.804 1.00 3.05 C ATOM 1565 CD1 PHE A2108 -0.758 -0.650 -2.335 1.00 1.30 C ATOM 1566 CD2 PHE A2108 -2.989 -1.291 -1.939 1.00 34.01 C ATOM 1567 CE1 PHE A2108 -0.559 -0.474 -0.940 1.00 71.01 C ATOM 1568 CE2 PHE A2108 -2.791 -1.116 -0.543 1.00 65.41 C ATOM 1569 CZ PHE A2108 -1.582 -0.712 -0.073 1.00 22.42 C ATOM 0 H PHE A2108 0.108 -1.359 -4.977 1.00 45.55 H new ATOM 0 HA PHE A2108 -1.688 -3.366 -4.137 1.00 71.31 H new ATOM 0 HB2 PHE A2108 -1.722 -0.407 -4.837 1.00 65.31 H new ATOM 0 HB3 PHE A2108 -3.249 -1.205 -4.521 1.00 65.31 H new ATOM 0 HD1 PHE A2108 0.053 -0.464 -3.024 1.00 1.30 H new ATOM 0 HD2 PHE A2108 -3.950 -1.613 -2.312 1.00 34.01 H new ATOM 0 HE1 PHE A2108 0.402 -0.152 -0.567 1.00 71.01 H new ATOM 0 HE2 PHE A2108 -3.602 -1.304 0.145 1.00 65.41 H new ATOM 0 HZ PHE A2108 -1.432 -0.580 0.988 1.00 22.42 H new ATOM 1579 N ARG A2109 -1.939 -2.444 -7.243 1.00 30.01 N ATOM 1580 CA ARG A2109 -2.588 -2.740 -8.510 1.00 0.11 C ATOM 1581 C ARG A2109 -2.271 -4.171 -8.949 1.00 15.03 C ATOM 1582 O ARG A2109 -3.134 -4.866 -9.482 1.00 13.12 O ATOM 1583 CB ARG A2109 -2.133 -1.768 -9.601 1.00 61.12 C ATOM 1584 CG ARG A2109 -2.544 -2.269 -10.987 1.00 43.52 C ATOM 1585 CD ARG A2109 -2.229 -1.225 -12.061 1.00 3.22 C ATOM 1586 NE ARG A2109 -3.485 -0.719 -12.660 1.00 65.53 N ATOM 1587 CZ ARG A2109 -3.576 -0.197 -13.900 1.00 52.41 C ATOM 1588 NH1 ARG A2109 -2.483 -0.106 -14.687 1.00 24.11 N ATOM 1589 NH2 ARG A2109 -4.749 0.224 -14.334 1.00 72.02 N ATOM 0 H ARG A2109 -1.126 -1.831 -7.312 1.00 30.01 H new ATOM 0 HA ARG A2109 -3.663 -2.631 -8.365 1.00 0.11 H new ATOM 0 HB2 ARG A2109 -2.568 -0.785 -9.422 1.00 61.12 H new ATOM 0 HB3 ARG A2109 -1.050 -1.650 -9.559 1.00 61.12 H new ATOM 0 HG2 ARG A2109 -2.020 -3.198 -11.212 1.00 43.52 H new ATOM 0 HG3 ARG A2109 -3.610 -2.494 -10.995 1.00 43.52 H new ATOM 0 HD2 ARG A2109 -1.667 -0.400 -11.624 1.00 3.22 H new ATOM 0 HD3 ARG A2109 -1.599 -1.665 -12.834 1.00 3.22 H new ATOM 0 HE ARG A2109 -4.335 -0.768 -12.099 1.00 65.53 H new ATOM 0 HH11 ARG A2109 -1.580 -0.433 -14.345 1.00 24.11 H new ATOM 0 HH12 ARG A2109 -2.561 0.290 -15.624 1.00 24.11 H new ATOM 0 HH21 ARG A2109 -5.571 0.152 -13.734 1.00 72.02 H new ATOM 0 HH22 ARG A2109 -4.834 0.621 -15.270 1.00 72.02 H new ATOM 1601 N ARG A2110 -1.031 -4.570 -8.706 1.00 51.12 N ATOM 1602 CA ARG A2110 -0.590 -5.906 -9.068 1.00 35.21 C ATOM 1603 C ARG A2110 -1.371 -6.955 -8.276 1.00 4.43 C ATOM 1604 O ARG A2110 -1.921 -7.892 -8.853 1.00 41.22 O ATOM 1605 CB ARG A2110 0.906 -6.083 -8.801 1.00 61.14 C ATOM 1606 CG ARG A2110 1.740 -5.281 -9.801 1.00 12.11 C ATOM 1607 CD ARG A2110 1.803 -5.989 -11.156 1.00 14.12 C ATOM 1608 NE ARG A2110 2.162 -5.022 -12.216 1.00 33.14 N ATOM 1609 CZ ARG A2110 2.132 -5.299 -13.537 1.00 22.43 C ATOM 1610 NH1 ARG A2110 1.754 -6.522 -13.971 1.00 52.41 N ATOM 1611 NH2 ARG A2110 2.474 -4.360 -14.398 1.00 31.42 N ATOM 0 H ARG A2110 -0.318 -3.991 -8.263 1.00 51.12 H new ATOM 0 HA ARG A2110 -0.775 -6.039 -10.134 1.00 35.21 H new ATOM 0 HB2 ARG A2110 1.139 -5.760 -7.786 1.00 61.14 H new ATOM 0 HB3 ARG A2110 1.168 -7.139 -8.867 1.00 61.14 H new ATOM 0 HG2 ARG A2110 1.309 -4.288 -9.926 1.00 12.11 H new ATOM 0 HG3 ARG A2110 2.749 -5.144 -9.411 1.00 12.11 H new ATOM 0 HD2 ARG A2110 2.538 -6.793 -11.122 1.00 14.12 H new ATOM 0 HD3 ARG A2110 0.840 -6.447 -11.381 1.00 14.12 H new ATOM 0 HE ARG A2110 2.451 -4.086 -11.931 1.00 33.14 H new ATOM 0 HH11 ARG A2110 1.489 -7.242 -13.299 1.00 52.41 H new ATOM 0 HH12 ARG A2110 1.734 -6.725 -14.970 1.00 52.41 H new ATOM 0 HH21 ARG A2110 2.756 -3.439 -14.063 1.00 31.42 H new ATOM 0 HH22 ARG A2110 2.456 -4.555 -15.399 1.00 31.42 H new ATOM 1623 N ILE A2111 -1.394 -6.765 -6.965 1.00 32.35 N ATOM 1624 CA ILE A2111 -2.098 -7.683 -6.087 1.00 20.12 C ATOM 1625 C ILE A2111 -3.498 -7.945 -6.646 1.00 3.44 C ATOM 1626 O ILE A2111 -4.045 -9.034 -6.479 1.00 41.34 O ATOM 1627 CB ILE A2111 -2.097 -7.159 -4.650 1.00 25.01 C ATOM 1628 CG1 ILE A2111 -2.600 -5.715 -4.593 1.00 34.33 C ATOM 1629 CG2 ILE A2111 -0.716 -7.311 -4.012 1.00 12.52 C ATOM 1630 CD1 ILE A2111 -2.713 -5.232 -3.147 1.00 54.14 C ATOM 0 H ILE A2111 -0.936 -5.988 -6.489 1.00 32.35 H new ATOM 0 HA ILE A2111 -1.584 -8.644 -6.051 1.00 20.12 H new ATOM 0 HB ILE A2111 -2.789 -7.764 -4.065 1.00 25.01 H new ATOM 0 HG12 ILE A2111 -1.919 -5.067 -5.145 1.00 34.33 H new ATOM 0 HG13 ILE A2111 -3.572 -5.645 -5.081 1.00 34.33 H new ATOM 0 HG21 ILE A2111 -0.743 -6.931 -2.991 1.00 12.52 H new ATOM 0 HG22 ILE A2111 -0.435 -8.364 -4.000 1.00 12.52 H new ATOM 0 HG23 ILE A2111 0.016 -6.747 -4.590 1.00 12.52 H new ATOM 0 HD11 ILE A2111 -3.072 -4.203 -3.134 1.00 54.14 H new ATOM 0 HD12 ILE A2111 -3.413 -5.868 -2.605 1.00 54.14 H new ATOM 0 HD13 ILE A2111 -1.734 -5.280 -2.670 1.00 54.14 H new ATOM 1642 N SER A2112 -4.038 -6.926 -7.300 1.00 30.22 N ATOM 1643 CA SER A2112 -5.365 -7.030 -7.884 1.00 1.55 C ATOM 1644 C SER A2112 -5.268 -7.589 -9.306 1.00 12.24 C ATOM 1645 O SER A2112 -5.841 -8.636 -9.606 1.00 53.12 O ATOM 1646 CB SER A2112 -6.072 -5.674 -7.894 1.00 31.43 C ATOM 1647 OG SER A2112 -7.325 -5.729 -8.571 1.00 13.32 O ATOM 0 H SER A2112 -3.581 -6.025 -7.438 1.00 30.22 H new ATOM 0 HA SER A2112 -5.955 -7.711 -7.271 1.00 1.55 H new ATOM 0 HB2 SER A2112 -6.229 -5.339 -6.868 1.00 31.43 H new ATOM 0 HB3 SER A2112 -5.432 -4.935 -8.376 1.00 31.43 H new ATOM 0 HG SER A2112 -7.745 -4.844 -8.554 1.00 13.32 H new ATOM 1653 N LYS A2113 -4.538 -6.866 -10.141 1.00 5.12 N ATOM 1654 CA LYS A2113 -4.358 -7.276 -11.525 1.00 20.01 C ATOM 1655 C LYS A2113 -4.159 -8.793 -11.581 1.00 10.35 C ATOM 1656 O LYS A2113 -4.519 -9.433 -12.567 1.00 62.50 O ATOM 1657 CB LYS A2113 -3.223 -6.483 -12.176 1.00 53.35 C ATOM 1658 CG LYS A2113 -2.611 -7.260 -13.343 1.00 14.31 C ATOM 1659 CD LYS A2113 -3.620 -7.430 -14.479 1.00 60.11 C ATOM 1660 CE LYS A2113 -3.244 -8.613 -15.374 1.00 12.04 C ATOM 1661 NZ LYS A2113 -4.360 -9.582 -15.449 1.00 3.40 N ATOM 0 H LYS A2113 -4.064 -5.999 -9.887 1.00 5.12 H new ATOM 0 HA LYS A2113 -5.250 -7.049 -12.109 1.00 20.01 H new ATOM 0 HB2 LYS A2113 -3.601 -5.524 -12.531 1.00 53.35 H new ATOM 0 HB3 LYS A2113 -2.454 -6.267 -11.435 1.00 53.35 H new ATOM 0 HG2 LYS A2113 -1.729 -6.735 -13.711 1.00 14.31 H new ATOM 0 HG3 LYS A2113 -2.279 -8.239 -12.998 1.00 14.31 H new ATOM 0 HD2 LYS A2113 -4.616 -7.585 -14.065 1.00 60.11 H new ATOM 0 HD3 LYS A2113 -3.660 -6.518 -15.074 1.00 60.11 H new ATOM 0 HE2 LYS A2113 -2.997 -8.256 -16.374 1.00 12.04 H new ATOM 0 HE3 LYS A2113 -2.354 -9.105 -14.982 1.00 12.04 H new ATOM 0 HZ1 LYS A2113 -4.025 -10.465 -15.885 1.00 3.40 H new ATOM 0 HZ2 LYS A2113 -4.712 -9.781 -14.491 1.00 3.40 H new ATOM 0 HZ3 LYS A2113 -5.129 -9.182 -16.024 1.00 3.40 H new ATOM 1674 N GLN A2114 -3.583 -9.322 -10.510 1.00 62.23 N ATOM 1675 CA GLN A2114 -3.332 -10.750 -10.426 1.00 34.23 C ATOM 1676 C GLN A2114 -3.451 -11.224 -8.974 1.00 31.35 C ATOM 1677 O GLN A2114 -2.645 -10.845 -8.126 1.00 44.14 O ATOM 1678 CB GLN A2114 -1.962 -11.100 -11.006 1.00 23.11 C ATOM 1679 CG GLN A2114 -1.883 -12.585 -11.369 1.00 13.13 C ATOM 1680 CD GLN A2114 -2.012 -12.789 -12.880 1.00 43.43 C ATOM 1681 OE1 GLN A2114 -1.291 -12.206 -13.673 1.00 43.21 O ATOM 1682 NE2 GLN A2114 -2.967 -13.644 -13.231 1.00 42.22 N ATOM 0 H GLN A2114 -3.284 -8.787 -9.695 1.00 62.23 H new ATOM 0 HA GLN A2114 -4.084 -11.268 -11.021 1.00 34.23 H new ATOM 0 HB2 GLN A2114 -1.773 -10.495 -11.893 1.00 23.11 H new ATOM 0 HB3 GLN A2114 -1.184 -10.857 -10.282 1.00 23.11 H new ATOM 0 HG2 GLN A2114 -0.935 -12.998 -11.023 1.00 13.13 H new ATOM 0 HG3 GLN A2114 -2.675 -13.131 -10.856 1.00 13.13 H new ATOM 0 HE21 GLN A2114 -3.534 -14.097 -12.515 1.00 42.22 H new ATOM 0 HE22 GLN A2114 -3.133 -13.847 -14.217 1.00 42.22 H new TER 1691 GLN A2114