USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2026 MET CE :methyl 139:sc= -7.85! (180deg=-7.08!) USER MOD Set 1.2: A2057 MET CE :methyl -179:sc= -4.13! (180deg=-0.426) USER MOD Set 1.3: A2058 MET CE :methyl 155:sc= -21.7! (180deg=-16.4!) USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.82) USER MOD Single : A2028 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-0.17) USER MOD Single : A2035 SER OG : rot -50:sc= 0.977 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -0.507 K(o=-0.51,f=-3.6) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -140:sc= -11.3! (180deg=-19.4!) USER MOD Single : A2055 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-2.1!) USER MOD Single : A2063 GLN : amide:sc= -0.0363 K(o=-0.036,f=-2) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 76:sc= 0.226 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.64 X(o=-0.64,f=-0.36!) USER MOD Single : A2072 GLN : amide:sc= -0.0635 K(o=-0.063,f=-1.8!) USER MOD Single : A2074 TYR OH : rot 165:sc= -0.435 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc=-0.00333 X(o=-0.0033,f=0) USER MOD Single : A2085 CYS SG : rot 100:sc= -0.735! USER MOD Single : A2087 LYS NZ :NH3+ -123:sc= 1.04 (180deg=-1.02) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -110:sc= -6.49! (180deg=-11.1!) 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= -0.0325 K(o=-0.032,f=1) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 80:sc= 0.23 USER MOD Single : A2099 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.03) USER MOD Single : A2112 SER OG : rot -50:sc= 0.544 USER MOD Single : A2113 LYS NZ :NH3+ -149:sc= -1.66 (180deg=-2.67!) USER MOD Single : A2114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 4.300 -16.513 -9.481 1.00 54.24 N ATOM 2 CA MET A2014 3.040 -17.195 -9.717 1.00 23.32 C ATOM 3 C MET A2014 1.854 -16.267 -9.453 1.00 64.04 C ATOM 4 O MET A2014 2.037 -15.112 -9.070 1.00 23.33 O ATOM 5 CB MET A2014 2.944 -18.420 -8.805 1.00 15.14 C ATOM 6 CG MET A2014 3.521 -19.659 -9.488 1.00 25.15 C ATOM 7 SD MET A2014 5.018 -20.171 -8.660 1.00 24.40 S ATOM 8 CE MET A2014 4.948 -21.932 -8.953 1.00 50.13 C ATOM 0 HA MET A2014 3.007 -17.505 -10.762 1.00 23.32 H new ATOM 0 HB2 MET A2014 3.482 -18.229 -7.876 1.00 15.14 H new ATOM 0 HB3 MET A2014 1.902 -18.599 -8.539 1.00 15.14 H new ATOM 0 HG2 MET A2014 2.791 -20.468 -9.470 1.00 25.15 H new ATOM 0 HG3 MET A2014 3.731 -19.443 -10.536 1.00 25.15 H new ATOM 0 HE1 MET A2014 5.816 -22.411 -8.499 1.00 50.13 H new ATOM 0 HE2 MET A2014 4.037 -22.338 -8.513 1.00 50.13 H new ATOM 0 HE3 MET A2014 4.948 -22.123 -10.026 1.00 50.13 H new ATOM 18 N GLU A2015 0.661 -16.805 -9.669 1.00 13.33 N ATOM 19 CA GLU A2015 -0.554 -16.039 -9.458 1.00 13.12 C ATOM 20 C GLU A2015 -0.770 -15.784 -7.965 1.00 15.23 C ATOM 21 O GLU A2015 -1.543 -14.905 -7.586 1.00 12.13 O ATOM 22 CB GLU A2015 -1.763 -16.746 -10.074 1.00 13.44 C ATOM 23 CG GLU A2015 -1.920 -18.158 -9.505 1.00 43.33 C ATOM 24 CD GLU A2015 -1.958 -19.199 -10.626 1.00 21.53 C ATOM 25 OE1 GLU A2015 -1.081 -20.072 -10.691 1.00 2.30 O ATOM 26 OE2 GLU A2015 -2.947 -19.079 -11.447 1.00 35.31 O ATOM 0 H GLU A2015 0.512 -17.762 -9.988 1.00 13.33 H new ATOM 0 HA GLU A2015 -0.444 -15.077 -9.958 1.00 13.12 H new ATOM 0 HB2 GLU A2015 -2.666 -16.168 -9.877 1.00 13.44 H new ATOM 0 HB3 GLU A2015 -1.647 -16.797 -11.157 1.00 13.44 H new ATOM 0 HG2 GLU A2015 -1.093 -18.376 -8.829 1.00 43.33 H new ATOM 0 HG3 GLU A2015 -2.836 -18.217 -8.917 1.00 43.33 H new ATOM 34 N LEU A2016 -0.073 -16.570 -7.157 1.00 55.10 N ATOM 35 CA LEU A2016 -0.179 -16.442 -5.712 1.00 62.33 C ATOM 36 C LEU A2016 -1.604 -16.793 -5.278 1.00 54.31 C ATOM 37 O LEU A2016 -1.989 -16.535 -4.137 1.00 44.24 O ATOM 38 CB LEU A2016 0.275 -15.052 -5.265 1.00 3.22 C ATOM 39 CG LEU A2016 1.473 -15.014 -4.313 1.00 4.11 C ATOM 40 CD1 LEU A2016 2.563 -14.079 -4.839 1.00 52.42 C ATOM 41 CD2 LEU A2016 1.036 -14.643 -2.894 1.00 42.42 C ATOM 0 H LEU A2016 0.567 -17.298 -7.475 1.00 55.10 H new ATOM 0 HA LEU A2016 0.489 -17.146 -5.215 1.00 62.33 H new ATOM 0 HB2 LEU A2016 0.522 -14.469 -6.152 1.00 3.22 H new ATOM 0 HB3 LEU A2016 -0.565 -14.555 -4.781 1.00 3.22 H new ATOM 0 HG LEU A2016 1.902 -16.015 -4.266 1.00 4.11 H new ATOM 0 HD11 LEU A2016 3.402 -14.071 -4.143 1.00 52.42 H new ATOM 0 HD12 LEU A2016 2.903 -14.429 -5.814 1.00 52.42 H new ATOM 0 HD13 LEU A2016 2.162 -13.070 -4.935 1.00 52.42 H new ATOM 0 HD21 LEU A2016 1.907 -14.623 -2.239 1.00 42.42 H new ATOM 0 HD22 LEU A2016 0.567 -13.659 -2.903 1.00 42.42 H new ATOM 0 HD23 LEU A2016 0.323 -15.382 -2.528 1.00 42.42 H new ATOM 53 N ILE A2017 -2.346 -17.374 -6.207 1.00 73.32 N ATOM 54 CA ILE A2017 -3.719 -17.764 -5.933 1.00 63.24 C ATOM 55 C ILE A2017 -4.541 -16.515 -5.601 1.00 24.40 C ATOM 56 O ILE A2017 -4.073 -15.632 -4.887 1.00 55.11 O ATOM 57 CB ILE A2017 -3.765 -18.837 -4.845 1.00 64.23 C ATOM 58 CG1 ILE A2017 -2.993 -20.086 -5.273 1.00 65.43 C ATOM 59 CG2 ILE A2017 -5.208 -19.161 -4.454 1.00 61.42 C ATOM 60 CD1 ILE A2017 -1.551 -20.043 -4.764 1.00 21.40 C ATOM 0 H ILE A2017 -2.023 -17.585 -7.151 1.00 73.32 H new ATOM 0 HA ILE A2017 -4.169 -18.219 -6.815 1.00 63.24 H new ATOM 0 HB ILE A2017 -3.272 -18.443 -3.956 1.00 64.23 H new ATOM 0 HG12 ILE A2017 -3.492 -20.975 -4.888 1.00 65.43 H new ATOM 0 HG13 ILE A2017 -2.996 -20.165 -6.360 1.00 65.43 H new ATOM 0 HG21 ILE A2017 -5.212 -19.927 -3.679 1.00 61.42 H new ATOM 0 HG22 ILE A2017 -5.694 -18.261 -4.077 1.00 61.42 H new ATOM 0 HG23 ILE A2017 -5.748 -19.526 -5.327 1.00 61.42 H new ATOM 0 HD11 ILE A2017 -1.026 -20.943 -5.083 1.00 21.40 H new ATOM 0 HD12 ILE A2017 -1.048 -19.166 -5.171 1.00 21.40 H new ATOM 0 HD13 ILE A2017 -1.551 -19.989 -3.675 1.00 21.40 H new ATOM 72 N ARG A2018 -5.752 -16.486 -6.138 1.00 51.14 N ATOM 73 CA ARG A2018 -6.644 -15.362 -5.908 1.00 41.12 C ATOM 74 C ARG A2018 -7.667 -15.707 -4.824 1.00 24.40 C ATOM 75 O ARG A2018 -8.515 -16.577 -5.021 1.00 51.14 O ATOM 76 CB ARG A2018 -7.383 -14.974 -7.191 1.00 62.31 C ATOM 77 CG ARG A2018 -8.128 -13.648 -7.015 1.00 4.12 C ATOM 78 CD ARG A2018 -7.200 -12.458 -7.279 1.00 33.43 C ATOM 79 NE ARG A2018 -7.996 -11.274 -7.670 1.00 11.34 N ATOM 80 CZ ARG A2018 -8.794 -10.587 -6.826 1.00 52.52 C ATOM 81 NH1 ARG A2018 -8.912 -10.963 -5.535 1.00 51.22 N ATOM 82 NH2 ARG A2018 -9.461 -9.543 -7.282 1.00 43.25 N ATOM 0 H ARG A2018 -6.136 -17.222 -6.731 1.00 51.14 H new ATOM 0 HA ARG A2018 -6.036 -14.518 -5.582 1.00 41.12 H new ATOM 0 HB2 ARG A2018 -6.672 -14.890 -8.013 1.00 62.31 H new ATOM 0 HB3 ARG A2018 -8.089 -15.759 -7.460 1.00 62.31 H new ATOM 0 HG2 ARG A2018 -8.977 -13.610 -7.698 1.00 4.12 H new ATOM 0 HG3 ARG A2018 -8.529 -13.584 -6.004 1.00 4.12 H new ATOM 0 HD2 ARG A2018 -6.617 -12.236 -6.385 1.00 33.43 H new ATOM 0 HD3 ARG A2018 -6.491 -12.707 -8.069 1.00 33.43 H new ATOM 0 HE ARG A2018 -7.938 -10.957 -8.638 1.00 11.34 H new ATOM 0 HH11 ARG A2018 -8.396 -11.772 -5.190 1.00 51.22 H new ATOM 0 HH12 ARG A2018 -9.517 -10.438 -4.904 1.00 51.22 H new ATOM 0 HH21 ARG A2018 -9.369 -9.266 -8.259 1.00 43.25 H new ATOM 0 HH22 ARG A2018 -10.068 -9.013 -6.657 1.00 43.25 H new ATOM 94 N VAL A2019 -7.553 -15.010 -3.704 1.00 14.35 N ATOM 95 CA VAL A2019 -8.457 -15.234 -2.587 1.00 64.14 C ATOM 96 C VAL A2019 -8.973 -13.887 -2.079 1.00 11.04 C ATOM 97 O VAL A2019 -8.204 -12.937 -1.936 1.00 62.10 O ATOM 98 CB VAL A2019 -7.757 -16.055 -1.504 1.00 1.52 C ATOM 99 CG1 VAL A2019 -6.252 -15.777 -1.491 1.00 73.12 C ATOM 100 CG2 VAL A2019 -8.375 -15.789 -0.130 1.00 14.44 C ATOM 0 H VAL A2019 -6.849 -14.290 -3.545 1.00 14.35 H new ATOM 0 HA VAL A2019 -9.323 -15.815 -2.905 1.00 64.14 H new ATOM 0 HB VAL A2019 -7.901 -17.110 -1.738 1.00 1.52 H new ATOM 0 HG11 VAL A2019 -5.778 -16.374 -0.711 1.00 73.12 H new ATOM 0 HG12 VAL A2019 -5.825 -16.040 -2.459 1.00 73.12 H new ATOM 0 HG13 VAL A2019 -6.079 -14.719 -1.293 1.00 73.12 H new ATOM 0 HG21 VAL A2019 -7.859 -16.385 0.623 1.00 14.44 H new ATOM 0 HG22 VAL A2019 -8.276 -14.731 0.115 1.00 14.44 H new ATOM 0 HG23 VAL A2019 -9.430 -16.061 -0.147 1.00 14.44 H new ATOM 110 N PRO A2020 -10.305 -13.846 -1.811 1.00 71.02 N ATOM 111 CA PRO A2020 -10.934 -12.631 -1.319 1.00 31.20 C ATOM 112 C PRO A2020 -10.595 -12.396 0.154 1.00 51.21 C ATOM 113 O PRO A2020 -10.657 -11.265 0.637 1.00 63.03 O ATOM 114 CB PRO A2020 -12.420 -12.831 -1.561 1.00 45.22 C ATOM 115 CG PRO A2020 -12.614 -14.326 -1.748 1.00 32.41 C ATOM 116 CD PRO A2020 -11.246 -14.951 -1.966 1.00 63.10 C ATOM 0 HA PRO A2020 -10.578 -11.737 -1.830 1.00 31.20 H new ATOM 0 HB2 PRO A2020 -13.006 -12.464 -0.718 1.00 45.22 H new ATOM 0 HB3 PRO A2020 -12.750 -12.281 -2.442 1.00 45.22 H new ATOM 0 HG2 PRO A2020 -13.097 -14.760 -0.873 1.00 32.41 H new ATOM 0 HG3 PRO A2020 -13.264 -14.523 -2.601 1.00 32.41 H new ATOM 0 HD2 PRO A2020 -11.052 -15.741 -1.241 1.00 63.10 H new ATOM 0 HD3 PRO A2020 -11.169 -15.401 -2.956 1.00 63.10 H new ATOM 124 N ILE A2021 -10.242 -13.481 0.828 1.00 71.21 N ATOM 125 CA ILE A2021 -9.894 -13.407 2.238 1.00 5.31 C ATOM 126 C ILE A2021 -8.395 -13.672 2.402 1.00 42.02 C ATOM 127 O ILE A2021 -7.965 -14.823 2.422 1.00 43.24 O ATOM 128 CB ILE A2021 -10.778 -14.347 3.058 1.00 60.55 C ATOM 129 CG1 ILE A2021 -10.985 -15.678 2.334 1.00 22.31 C ATOM 130 CG2 ILE A2021 -12.106 -13.677 3.417 1.00 75.20 C ATOM 131 CD1 ILE A2021 -12.206 -15.618 1.412 1.00 44.31 C ATOM 0 H ILE A2021 -10.189 -14.416 0.424 1.00 71.21 H new ATOM 0 HA ILE A2021 -10.087 -12.407 2.627 1.00 5.31 H new ATOM 0 HB ILE A2021 -10.265 -14.567 3.994 1.00 60.55 H new ATOM 0 HG12 ILE A2021 -10.097 -15.921 1.751 1.00 22.31 H new ATOM 0 HG13 ILE A2021 -11.115 -16.477 3.064 1.00 22.31 H new ATOM 0 HG21 ILE A2021 -12.716 -14.367 4.000 1.00 75.20 H new ATOM 0 HG22 ILE A2021 -11.913 -12.779 4.003 1.00 75.20 H new ATOM 0 HG23 ILE A2021 -12.636 -13.407 2.504 1.00 75.20 H new ATOM 0 HD11 ILE A2021 -12.330 -16.577 0.910 1.00 44.31 H new ATOM 0 HD12 ILE A2021 -13.096 -15.399 2.001 1.00 44.31 H new ATOM 0 HD13 ILE A2021 -12.062 -14.835 0.668 1.00 44.31 H new ATOM 143 N LEU A2022 -7.645 -12.587 2.515 1.00 2.01 N ATOM 144 CA LEU A2022 -6.204 -12.686 2.679 1.00 64.43 C ATOM 145 C LEU A2022 -5.609 -11.281 2.789 1.00 12.42 C ATOM 146 O LEU A2022 -6.314 -10.330 3.119 1.00 53.31 O ATOM 147 CB LEU A2022 -5.596 -13.526 1.552 1.00 55.21 C ATOM 148 CG LEU A2022 -4.708 -14.692 1.991 1.00 15.23 C ATOM 149 CD1 LEU A2022 -3.583 -14.211 2.911 1.00 52.32 C ATOM 150 CD2 LEU A2022 -5.539 -15.803 2.636 1.00 71.13 C ATOM 0 H LEU A2022 -8.007 -11.634 2.496 1.00 2.01 H new ATOM 0 HA LEU A2022 -5.959 -13.208 3.604 1.00 64.43 H new ATOM 0 HB2 LEU A2022 -6.408 -13.923 0.942 1.00 55.21 H new ATOM 0 HB3 LEU A2022 -5.008 -12.868 0.912 1.00 55.21 H new ATOM 0 HG LEU A2022 -4.239 -15.115 1.103 1.00 15.23 H new ATOM 0 HD11 LEU A2022 -2.967 -15.060 3.208 1.00 52.32 H new ATOM 0 HD12 LEU A2022 -2.967 -13.483 2.383 1.00 52.32 H new ATOM 0 HD13 LEU A2022 -4.012 -13.746 3.799 1.00 52.32 H new ATOM 0 HD21 LEU A2022 -4.883 -16.619 2.939 1.00 71.13 H new ATOM 0 HD22 LEU A2022 -6.056 -15.409 3.511 1.00 71.13 H new ATOM 0 HD23 LEU A2022 -6.271 -16.173 1.918 1.00 71.13 H new ATOM 162 N TRP A2023 -4.317 -11.198 2.507 1.00 64.43 N ATOM 163 CA TRP A2023 -3.619 -9.925 2.571 1.00 64.34 C ATOM 164 C TRP A2023 -4.224 -9.001 1.511 1.00 52.11 C ATOM 165 O TRP A2023 -4.616 -7.875 1.817 1.00 63.31 O ATOM 166 CB TRP A2023 -2.111 -10.119 2.403 1.00 14.51 C ATOM 167 CG TRP A2023 -1.370 -10.397 3.712 1.00 23.44 C ATOM 168 CD1 TRP A2023 -1.892 -10.735 4.901 1.00 44.35 C ATOM 169 CD2 TRP A2023 0.057 -10.353 3.920 1.00 75.21 C ATOM 170 NE1 TRP A2023 -0.911 -10.908 5.854 1.00 31.04 N ATOM 171 CE2 TRP A2023 0.313 -10.669 5.239 1.00 73.35 C ATOM 172 CE3 TRP A2023 1.098 -10.054 3.024 1.00 52.32 C ATOM 173 CZ2 TRP A2023 1.604 -10.716 5.780 1.00 22.13 C ATOM 174 CZ3 TRP A2023 2.382 -10.108 3.580 1.00 23.02 C ATOM 175 CH2 TRP A2023 2.656 -10.423 4.904 1.00 41.40 C ATOM 0 H TRP A2023 -3.736 -11.991 2.234 1.00 64.43 H new ATOM 0 HA TRP A2023 -3.747 -9.463 3.550 1.00 64.34 H new ATOM 0 HB2 TRP A2023 -1.936 -10.946 1.715 1.00 14.51 H new ATOM 0 HB3 TRP A2023 -1.689 -9.226 1.941 1.00 14.51 H new ATOM 0 HD1 TRP A2023 -2.949 -10.856 5.088 1.00 44.35 H new ATOM 0 HE1 TRP A2023 -1.056 -11.164 6.831 1.00 31.04 H new ATOM 0 HE3 TRP A2023 0.921 -9.803 1.989 1.00 52.32 H new ATOM 0 HZ2 TRP A2023 1.778 -10.965 6.816 1.00 22.13 H new ATOM 0 HZ3 TRP A2023 3.219 -9.889 2.933 1.00 23.02 H new ATOM 0 HH2 TRP A2023 3.677 -10.442 5.257 1.00 41.40 H new ATOM 186 N HIS A2024 -4.278 -9.509 0.288 1.00 74.40 N ATOM 187 CA HIS A2024 -4.830 -8.743 -0.817 1.00 54.42 C ATOM 188 C HIS A2024 -6.143 -8.089 -0.384 1.00 71.40 C ATOM 189 O HIS A2024 -6.531 -7.053 -0.920 1.00 72.22 O ATOM 190 CB HIS A2024 -4.984 -9.618 -2.061 1.00 13.05 C ATOM 191 CG HIS A2024 -3.891 -10.647 -2.227 1.00 3.40 C ATOM 192 ND1 HIS A2024 -4.014 -11.951 -1.779 1.00 13.10 N ATOM 193 CD2 HIS A2024 -2.656 -10.551 -2.797 1.00 25.22 C ATOM 194 CE1 HIS A2024 -2.896 -12.601 -2.071 1.00 62.44 C ATOM 195 NE2 HIS A2024 -2.056 -11.731 -2.702 1.00 10.02 N ATOM 0 H HIS A2024 -3.949 -10.441 0.038 1.00 74.40 H new ATOM 0 HA HIS A2024 -4.141 -7.944 -1.090 1.00 54.42 H new ATOM 0 HB2 HIS A2024 -5.946 -10.129 -2.017 1.00 13.05 H new ATOM 0 HB3 HIS A2024 -5.003 -8.978 -2.943 1.00 13.05 H new ATOM 0 HD2 HIS A2024 -2.237 -9.664 -3.249 1.00 25.22 H new ATOM 0 HE1 HIS A2024 -2.687 -13.637 -1.848 1.00 62.44 H new ATOM 0 HE2 HIS A2024 -1.121 -11.951 -3.044 1.00 10.02 H new ATOM 204 N GLU A2025 -6.792 -8.722 0.582 1.00 62.33 N ATOM 205 CA GLU A2025 -8.055 -8.217 1.093 1.00 2.33 C ATOM 206 C GLU A2025 -7.823 -6.943 1.910 1.00 24.45 C ATOM 207 O GLU A2025 -8.653 -6.035 1.896 1.00 55.14 O ATOM 208 CB GLU A2025 -8.775 -9.280 1.924 1.00 55.13 C ATOM 209 CG GLU A2025 -10.235 -8.889 2.168 1.00 15.01 C ATOM 210 CD GLU A2025 -10.378 -8.079 3.458 1.00 54.42 C ATOM 211 OE1 GLU A2025 -9.520 -8.173 4.348 1.00 62.44 O ATOM 212 OE2 GLU A2025 -11.426 -7.328 3.517 1.00 5.22 O ATOM 0 H GLU A2025 -6.466 -9.581 1.025 1.00 62.33 H new ATOM 0 HA GLU A2025 -8.697 -7.971 0.247 1.00 2.33 H new ATOM 0 HB2 GLU A2025 -8.733 -10.240 1.409 1.00 55.13 H new ATOM 0 HB3 GLU A2025 -8.265 -9.408 2.879 1.00 55.13 H new ATOM 0 HG2 GLU A2025 -10.604 -8.305 1.325 1.00 15.01 H new ATOM 0 HG3 GLU A2025 -10.850 -9.787 2.228 1.00 15.01 H new ATOM 220 N MET A2026 -6.695 -6.920 2.602 1.00 52.54 N ATOM 221 CA MET A2026 -6.345 -5.773 3.424 1.00 61.12 C ATOM 222 C MET A2026 -5.967 -4.571 2.556 1.00 72.50 C ATOM 223 O MET A2026 -6.187 -3.426 2.946 1.00 13.41 O ATOM 224 CB MET A2026 -5.168 -6.136 4.332 1.00 61.32 C ATOM 225 CG MET A2026 -3.835 -5.934 3.611 1.00 22.23 C ATOM 226 SD MET A2026 -3.159 -4.332 4.014 1.00 0.23 S ATOM 227 CE MET A2026 -1.415 -4.699 3.912 1.00 12.15 C ATOM 0 H MET A2026 -6.011 -7.676 2.611 1.00 52.54 H new ATOM 0 HA MET A2026 -7.212 -5.504 4.027 1.00 61.12 H new ATOM 0 HB2 MET A2026 -5.195 -5.521 5.232 1.00 61.32 H new ATOM 0 HB3 MET A2026 -5.258 -7.174 4.652 1.00 61.32 H new ATOM 0 HG2 MET A2026 -3.134 -6.717 3.900 1.00 22.23 H new ATOM 0 HG3 MET A2026 -3.979 -6.017 2.534 1.00 22.23 H new ATOM 0 HE1 MET A2026 -0.897 -3.873 3.423 1.00 12.15 H new ATOM 0 HE2 MET A2026 -1.013 -4.836 4.916 1.00 12.15 H new ATOM 0 HE3 MET A2026 -1.268 -5.612 3.335 1.00 12.15 H new ATOM 237 N TRP A2027 -5.408 -4.872 1.393 1.00 62.10 N ATOM 238 CA TRP A2027 -4.999 -3.832 0.467 1.00 4.42 C ATOM 239 C TRP A2027 -6.260 -3.229 -0.154 1.00 64.22 C ATOM 240 O TRP A2027 -6.434 -2.011 -0.159 1.00 32.55 O ATOM 241 CB TRP A2027 -4.021 -4.379 -0.575 1.00 3.43 C ATOM 242 CG TRP A2027 -2.685 -4.844 0.008 1.00 12.43 C ATOM 243 CD1 TRP A2027 -2.431 -5.967 0.693 1.00 24.44 C ATOM 244 CD2 TRP A2027 -1.424 -4.150 -0.070 1.00 44.25 C ATOM 245 NE1 TRP A2027 -1.104 -6.048 1.061 1.00 65.45 N ATOM 246 CE2 TRP A2027 -0.470 -4.906 0.581 1.00 73.52 C ATOM 247 CE3 TRP A2027 -1.097 -2.921 -0.670 1.00 5.32 C ATOM 248 CZ2 TRP A2027 0.869 -4.520 0.695 1.00 3.42 C ATOM 249 CZ3 TRP A2027 0.247 -2.549 -0.549 1.00 50.30 C ATOM 250 CH2 TRP A2027 1.218 -3.299 0.102 1.00 14.12 C ATOM 0 H TRP A2027 -5.229 -5.823 1.071 1.00 62.10 H new ATOM 0 HA TRP A2027 -4.457 -3.043 0.988 1.00 4.42 H new ATOM 0 HB2 TRP A2027 -4.490 -5.215 -1.094 1.00 3.43 H new ATOM 0 HB3 TRP A2027 -3.831 -3.607 -1.320 1.00 3.43 H new ATOM 0 HD1 TRP A2027 -3.173 -6.716 0.928 1.00 24.44 H new ATOM 0 HE1 TRP A2027 -0.668 -6.805 1.588 1.00 65.45 H new ATOM 0 HE3 TRP A2027 -1.826 -2.312 -1.184 1.00 5.32 H new ATOM 0 HZ2 TRP A2027 1.595 -5.130 1.212 1.00 3.42 H new ATOM 0 HZ3 TRP A2027 0.550 -1.613 -0.993 1.00 50.30 H new ATOM 0 HH2 TRP A2027 2.237 -2.943 0.151 1.00 14.12 H new ATOM 261 N HIS A2028 -7.108 -4.110 -0.665 1.00 12.33 N ATOM 262 CA HIS A2028 -8.347 -3.681 -1.289 1.00 75.04 C ATOM 263 C HIS A2028 -9.120 -2.777 -0.325 1.00 32.52 C ATOM 264 O HIS A2028 -9.411 -1.626 -0.645 1.00 25.45 O ATOM 265 CB HIS A2028 -9.166 -4.886 -1.757 1.00 21.03 C ATOM 266 CG HIS A2028 -10.659 -4.713 -1.600 1.00 43.20 C ATOM 267 ND1 HIS A2028 -11.463 -4.200 -2.602 1.00 61.42 N ATOM 268 CD2 HIS A2028 -11.483 -4.991 -0.549 1.00 1.41 C ATOM 269 CE1 HIS A2028 -12.713 -4.175 -2.162 1.00 22.21 C ATOM 270 NE2 HIS A2028 -12.722 -4.664 -0.890 1.00 4.23 N ATOM 0 H HIS A2028 -6.961 -5.119 -0.659 1.00 12.33 H new ATOM 0 HA HIS A2028 -8.126 -3.097 -2.182 1.00 75.04 H new ATOM 0 HB2 HIS A2028 -8.941 -5.080 -2.806 1.00 21.03 H new ATOM 0 HB3 HIS A2028 -8.852 -5.766 -1.196 1.00 21.03 H new ATOM 0 HD2 HIS A2028 -11.178 -5.407 0.400 1.00 1.41 H new ATOM 0 HE1 HIS A2028 -13.574 -3.828 -2.715 1.00 22.21 H new ATOM 0 HE2 HIS A2028 -13.546 -4.762 -0.298 1.00 4.23 H new ATOM 279 N GLU A2029 -9.430 -3.334 0.837 1.00 62.31 N ATOM 280 CA GLU A2029 -10.164 -2.593 1.849 1.00 32.14 C ATOM 281 C GLU A2029 -9.302 -1.456 2.403 1.00 22.20 C ATOM 282 O GLU A2029 -9.815 -0.385 2.728 1.00 65.41 O ATOM 283 CB GLU A2029 -10.637 -3.519 2.972 1.00 1.12 C ATOM 284 CG GLU A2029 -9.503 -3.809 3.956 1.00 31.21 C ATOM 285 CD GLU A2029 -9.348 -2.669 4.965 1.00 10.10 C ATOM 286 OE1 GLU A2029 -10.353 -2.119 5.439 1.00 53.51 O ATOM 287 OE2 GLU A2029 -8.128 -2.361 5.255 1.00 73.42 O ATOM 0 H GLU A2029 -9.186 -4.289 1.100 1.00 62.31 H new ATOM 0 HA GLU A2029 -11.049 -2.159 1.383 1.00 32.14 H new ATOM 0 HB2 GLU A2029 -11.473 -3.059 3.500 1.00 1.12 H new ATOM 0 HB3 GLU A2029 -11.003 -4.454 2.548 1.00 1.12 H new ATOM 0 HG2 GLU A2029 -9.704 -4.742 4.483 1.00 31.21 H new ATOM 0 HG3 GLU A2029 -8.569 -3.946 3.410 1.00 31.21 H new ATOM 295 N GLY A2030 -8.009 -1.727 2.493 1.00 52.05 N ATOM 296 CA GLY A2030 -7.071 -0.740 3.002 1.00 2.24 C ATOM 297 C GLY A2030 -7.104 0.536 2.156 1.00 25.34 C ATOM 298 O GLY A2030 -7.467 1.602 2.648 1.00 13.32 O ATOM 0 H GLY A2030 -7.588 -2.616 2.222 1.00 52.05 H new ATOM 0 HA2 GLY A2030 -7.315 -0.501 4.037 1.00 2.24 H new ATOM 0 HA3 GLY A2030 -6.063 -1.156 3.000 1.00 2.24 H new ATOM 302 N LEU A2031 -6.720 0.381 0.898 1.00 51.21 N ATOM 303 CA LEU A2031 -6.701 1.506 -0.022 1.00 44.12 C ATOM 304 C LEU A2031 -8.107 2.098 -0.127 1.00 60.23 C ATOM 305 O LEU A2031 -8.266 3.305 -0.302 1.00 12.23 O ATOM 306 CB LEU A2031 -6.108 1.089 -1.368 1.00 22.13 C ATOM 307 CG LEU A2031 -5.122 2.071 -2.001 1.00 30.04 C ATOM 308 CD1 LEU A2031 -4.116 2.581 -0.967 1.00 53.43 C ATOM 309 CD2 LEU A2031 -4.430 1.448 -3.216 1.00 14.53 C ATOM 0 H LEU A2031 -6.420 -0.506 0.494 1.00 51.21 H new ATOM 0 HA LEU A2031 -6.050 2.294 0.356 1.00 44.12 H new ATOM 0 HB2 LEU A2031 -5.604 0.131 -1.239 1.00 22.13 H new ATOM 0 HB3 LEU A2031 -6.927 0.926 -2.068 1.00 22.13 H new ATOM 0 HG LEU A2031 -5.683 2.935 -2.358 1.00 30.04 H new ATOM 0 HD11 LEU A2031 -3.426 3.278 -1.443 1.00 53.43 H new ATOM 0 HD12 LEU A2031 -4.647 3.089 -0.162 1.00 53.43 H new ATOM 0 HD13 LEU A2031 -3.557 1.740 -0.558 1.00 53.43 H new ATOM 0 HD21 LEU A2031 -3.734 2.168 -3.647 1.00 14.53 H new ATOM 0 HD22 LEU A2031 -3.885 0.556 -2.907 1.00 14.53 H new ATOM 0 HD23 LEU A2031 -5.178 1.176 -3.961 1.00 14.53 H new ATOM 321 N GLU A2032 -9.094 1.220 -0.014 1.00 64.22 N ATOM 322 CA GLU A2032 -10.482 1.641 -0.094 1.00 23.41 C ATOM 323 C GLU A2032 -10.755 2.766 0.906 1.00 41.33 C ATOM 324 O GLU A2032 -11.254 3.825 0.532 1.00 54.14 O ATOM 325 CB GLU A2032 -11.427 0.460 0.140 1.00 64.03 C ATOM 326 CG GLU A2032 -11.957 -0.089 -1.187 1.00 42.52 C ATOM 327 CD GLU A2032 -13.484 -0.024 -1.237 1.00 54.45 C ATOM 328 OE1 GLU A2032 -14.160 -0.758 -0.503 1.00 12.14 O ATOM 329 OE2 GLU A2032 -13.967 0.829 -2.076 1.00 24.00 O ATOM 0 H GLU A2032 -8.959 0.220 0.132 1.00 64.22 H new ATOM 0 HA GLU A2032 -10.668 2.021 -1.099 1.00 23.41 H new ATOM 0 HB2 GLU A2032 -10.903 -0.328 0.681 1.00 64.03 H new ATOM 0 HB3 GLU A2032 -12.261 0.776 0.766 1.00 64.03 H new ATOM 0 HG2 GLU A2032 -11.538 0.483 -2.015 1.00 42.52 H new ATOM 0 HG3 GLU A2032 -11.629 -1.121 -1.315 1.00 42.52 H new ATOM 337 N GLU A2033 -10.414 2.496 2.158 1.00 45.05 N ATOM 338 CA GLU A2033 -10.616 3.474 3.214 1.00 71.41 C ATOM 339 C GLU A2033 -9.670 4.662 3.027 1.00 30.04 C ATOM 340 O GLU A2033 -10.103 5.812 3.039 1.00 74.23 O ATOM 341 CB GLU A2033 -10.429 2.836 4.594 1.00 30.40 C ATOM 342 CG GLU A2033 -11.367 3.472 5.623 1.00 23.22 C ATOM 343 CD GLU A2033 -11.731 2.473 6.722 1.00 75.40 C ATOM 344 OE1 GLU A2033 -11.812 1.264 6.460 1.00 60.23 O ATOM 345 OE2 GLU A2033 -11.934 2.992 7.884 1.00 14.35 O ATOM 0 H GLU A2033 -10.000 1.616 2.464 1.00 45.05 H new ATOM 0 HA GLU A2033 -11.641 3.839 3.153 1.00 71.41 H new ATOM 0 HB2 GLU A2033 -10.623 1.765 4.533 1.00 30.40 H new ATOM 0 HB3 GLU A2033 -9.395 2.955 4.917 1.00 30.40 H new ATOM 0 HG2 GLU A2033 -10.889 4.346 6.065 1.00 23.22 H new ATOM 0 HG3 GLU A2033 -12.274 3.820 5.128 1.00 23.22 H new ATOM 353 N ALA A2034 -8.395 4.341 2.859 1.00 72.31 N ATOM 354 CA ALA A2034 -7.385 5.367 2.669 1.00 54.25 C ATOM 355 C ALA A2034 -7.825 6.310 1.546 1.00 15.53 C ATOM 356 O ALA A2034 -7.796 7.528 1.709 1.00 53.03 O ATOM 357 CB ALA A2034 -6.034 4.707 2.380 1.00 74.45 C ATOM 0 H ALA A2034 -8.039 3.385 2.851 1.00 72.31 H new ATOM 0 HA ALA A2034 -7.270 5.964 3.574 1.00 54.25 H new ATOM 0 HB1 ALA A2034 -5.276 5.477 2.237 1.00 74.45 H new ATOM 0 HB2 ALA A2034 -5.752 4.072 3.220 1.00 74.45 H new ATOM 0 HB3 ALA A2034 -6.111 4.102 1.477 1.00 74.45 H new ATOM 363 N SER A2035 -8.223 5.709 0.435 1.00 74.21 N ATOM 364 CA SER A2035 -8.668 6.480 -0.713 1.00 23.34 C ATOM 365 C SER A2035 -9.897 7.311 -0.340 1.00 63.01 C ATOM 366 O SER A2035 -10.037 8.451 -0.783 1.00 62.33 O ATOM 367 CB SER A2035 -8.985 5.566 -1.900 1.00 14.44 C ATOM 368 OG SER A2035 -10.287 4.997 -1.802 1.00 32.40 O ATOM 0 H SER A2035 -8.247 4.698 0.305 1.00 74.21 H new ATOM 0 HA SER A2035 -7.861 7.150 -1.010 1.00 23.34 H new ATOM 0 HB2 SER A2035 -8.907 6.135 -2.827 1.00 14.44 H new ATOM 0 HB3 SER A2035 -8.244 4.769 -1.952 1.00 14.44 H new ATOM 0 HG SER A2035 -10.404 4.598 -0.914 1.00 32.40 H new ATOM 374 N ARG A2036 -10.755 6.709 0.468 1.00 15.34 N ATOM 375 CA ARG A2036 -11.969 7.380 0.907 1.00 4.14 C ATOM 376 C ARG A2036 -11.620 8.652 1.684 1.00 14.12 C ATOM 377 O ARG A2036 -12.332 9.651 1.598 1.00 70.31 O ATOM 378 CB ARG A2036 -12.815 6.466 1.793 1.00 61.53 C ATOM 379 CG ARG A2036 -14.197 7.072 2.047 1.00 42.32 C ATOM 380 CD ARG A2036 -15.298 6.028 1.853 1.00 1.53 C ATOM 381 NE ARG A2036 -16.199 6.443 0.754 1.00 44.55 N ATOM 382 CZ ARG A2036 -17.309 5.767 0.389 1.00 73.34 C ATOM 383 NH1 ARG A2036 -17.666 4.636 1.035 1.00 52.24 N ATOM 384 NH2 ARG A2036 -18.040 6.227 -0.609 1.00 31.45 N ATOM 0 H ARG A2036 -10.635 5.763 0.831 1.00 15.34 H new ATOM 0 HA ARG A2036 -12.545 7.638 0.018 1.00 4.14 H new ATOM 0 HB2 ARG A2036 -12.924 5.491 1.317 1.00 61.53 H new ATOM 0 HB3 ARG A2036 -12.306 6.302 2.743 1.00 61.53 H new ATOM 0 HG2 ARG A2036 -14.243 7.470 3.061 1.00 42.32 H new ATOM 0 HG3 ARG A2036 -14.361 7.909 1.368 1.00 42.32 H new ATOM 0 HD2 ARG A2036 -14.855 5.058 1.625 1.00 1.53 H new ATOM 0 HD3 ARG A2036 -15.866 5.910 2.776 1.00 1.53 H new ATOM 0 HE ARG A2036 -15.966 7.293 0.240 1.00 44.55 H new ATOM 0 HH11 ARG A2036 -17.095 4.287 1.805 1.00 52.24 H new ATOM 0 HH12 ARG A2036 -18.506 4.131 0.753 1.00 52.24 H new ATOM 0 HH21 ARG A2036 -17.763 7.082 -1.092 1.00 31.45 H new ATOM 0 HH22 ARG A2036 -18.882 5.728 -0.897 1.00 31.45 H new ATOM 396 N LEU A2037 -10.524 8.573 2.425 1.00 32.32 N ATOM 397 CA LEU A2037 -10.074 9.704 3.217 1.00 14.55 C ATOM 398 C LEU A2037 -9.548 10.797 2.284 1.00 1.12 C ATOM 399 O LEU A2037 -9.899 11.966 2.432 1.00 13.21 O ATOM 400 CB LEU A2037 -9.058 9.253 4.268 1.00 11.34 C ATOM 401 CG LEU A2037 -9.548 8.200 5.265 1.00 11.41 C ATOM 402 CD1 LEU A2037 -8.553 7.043 5.375 1.00 70.02 C ATOM 403 CD2 LEU A2037 -9.844 8.833 6.627 1.00 23.13 C ATOM 0 H LEU A2037 -9.935 7.743 2.493 1.00 32.32 H new ATOM 0 HA LEU A2037 -10.906 10.133 3.775 1.00 14.55 H new ATOM 0 HB2 LEU A2037 -8.183 8.857 3.753 1.00 11.34 H new ATOM 0 HB3 LEU A2037 -8.730 10.129 4.827 1.00 11.34 H new ATOM 0 HG LEU A2037 -10.484 7.784 4.891 1.00 11.41 H new ATOM 0 HD11 LEU A2037 -8.926 6.309 6.090 1.00 70.02 H new ATOM 0 HD12 LEU A2037 -8.434 6.571 4.400 1.00 70.02 H new ATOM 0 HD13 LEU A2037 -7.589 7.423 5.714 1.00 70.02 H new ATOM 0 HD21 LEU A2037 -10.191 8.064 7.318 1.00 23.13 H new ATOM 0 HD22 LEU A2037 -8.937 9.292 7.020 1.00 23.13 H new ATOM 0 HD23 LEU A2037 -10.616 9.594 6.514 1.00 23.13 H new ATOM 415 N TYR A2038 -8.713 10.377 1.344 1.00 61.32 N ATOM 416 CA TYR A2038 -8.137 11.305 0.387 1.00 32.12 C ATOM 417 C TYR A2038 -9.229 12.022 -0.410 1.00 23.24 C ATOM 418 O TYR A2038 -9.277 13.250 -0.437 1.00 75.40 O ATOM 419 CB TYR A2038 -7.298 10.456 -0.571 1.00 23.22 C ATOM 420 CG TYR A2038 -6.537 11.269 -1.619 1.00 51.31 C ATOM 421 CD1 TYR A2038 -5.609 12.210 -1.222 1.00 14.33 C ATOM 422 CD2 TYR A2038 -6.777 11.061 -2.964 1.00 14.42 C ATOM 423 CE1 TYR A2038 -4.892 12.977 -2.209 1.00 21.45 C ATOM 424 CE2 TYR A2038 -6.060 11.826 -3.948 1.00 42.42 C ATOM 425 CZ TYR A2038 -5.152 12.745 -3.523 1.00 53.43 C ATOM 426 OH TYR A2038 -4.475 13.470 -4.455 1.00 20.41 O ATOM 0 H TYR A2038 -8.422 9.407 1.225 1.00 61.32 H new ATOM 0 HA TYR A2038 -7.547 12.066 0.899 1.00 32.12 H new ATOM 0 HB2 TYR A2038 -6.584 9.871 0.009 1.00 23.22 H new ATOM 0 HB3 TYR A2038 -7.952 9.748 -1.080 1.00 23.22 H new ATOM 0 HD1 TYR A2038 -5.420 12.372 -0.171 1.00 14.33 H new ATOM 0 HD2 TYR A2038 -7.503 10.324 -3.276 1.00 14.42 H new ATOM 0 HE1 TYR A2038 -4.165 13.719 -1.912 1.00 21.45 H new ATOM 0 HE2 TYR A2038 -6.239 11.674 -5.002 1.00 42.42 H new ATOM 0 HH TYR A2038 -4.761 13.198 -5.352 1.00 20.41 H new ATOM 436 N PHE A2039 -10.078 11.223 -1.039 1.00 75.43 N ATOM 437 CA PHE A2039 -11.167 11.766 -1.834 1.00 54.44 C ATOM 438 C PHE A2039 -12.260 12.355 -0.939 1.00 41.43 C ATOM 439 O PHE A2039 -12.749 13.454 -1.192 1.00 72.04 O ATOM 440 CB PHE A2039 -11.754 10.607 -2.641 1.00 13.35 C ATOM 441 CG PHE A2039 -10.905 10.195 -3.845 1.00 64.42 C ATOM 442 CD1 PHE A2039 -9.706 9.583 -3.656 1.00 32.21 C ATOM 443 CD2 PHE A2039 -11.353 10.439 -5.107 1.00 22.24 C ATOM 444 CE1 PHE A2039 -8.919 9.201 -4.775 1.00 14.53 C ATOM 445 CE2 PHE A2039 -10.567 10.057 -6.225 1.00 70.12 C ATOM 446 CZ PHE A2039 -9.365 9.446 -6.036 1.00 63.14 C ATOM 0 H PHE A2039 -10.034 10.204 -1.015 1.00 75.43 H new ATOM 0 HA PHE A2039 -10.795 12.562 -2.478 1.00 54.44 H new ATOM 0 HB2 PHE A2039 -11.877 9.746 -1.984 1.00 13.35 H new ATOM 0 HB3 PHE A2039 -12.748 10.887 -2.989 1.00 13.35 H new ATOM 0 HD1 PHE A2039 -9.352 9.387 -2.655 1.00 32.21 H new ATOM 0 HD2 PHE A2039 -12.307 10.923 -5.257 1.00 22.24 H new ATOM 0 HE1 PHE A2039 -7.966 8.716 -4.624 1.00 14.53 H new ATOM 0 HE2 PHE A2039 -10.922 10.251 -7.226 1.00 70.12 H new ATOM 0 HZ PHE A2039 -8.766 9.156 -6.887 1.00 63.14 H new ATOM 456 N GLY A2040 -12.608 11.596 0.091 1.00 4.20 N ATOM 457 CA GLY A2040 -13.633 12.028 1.025 1.00 0.04 C ATOM 458 C GLY A2040 -13.330 13.427 1.563 1.00 53.44 C ATOM 459 O GLY A2040 -14.077 14.370 1.310 1.00 31.35 O ATOM 0 H GLY A2040 -12.198 10.685 0.298 1.00 4.20 H new ATOM 0 HA2 GLY A2040 -14.604 12.027 0.530 1.00 0.04 H new ATOM 0 HA3 GLY A2040 -13.696 11.322 1.853 1.00 0.04 H new ATOM 463 N GLU A2041 -12.230 13.518 2.299 1.00 0.15 N ATOM 464 CA GLU A2041 -11.818 14.787 2.874 1.00 62.10 C ATOM 465 C GLU A2041 -10.357 15.079 2.528 1.00 21.43 C ATOM 466 O GLU A2041 -9.801 14.473 1.614 1.00 13.41 O ATOM 467 CB GLU A2041 -12.034 14.796 4.390 1.00 51.10 C ATOM 468 CG GLU A2041 -11.043 13.864 5.090 1.00 72.23 C ATOM 469 CD GLU A2041 -11.770 12.895 6.024 1.00 41.41 C ATOM 470 OE1 GLU A2041 -11.955 13.199 7.212 1.00 74.40 O ATOM 471 OE2 GLU A2041 -12.148 11.790 5.477 1.00 34.14 O ATOM 0 H GLU A2041 -11.613 12.734 2.509 1.00 0.15 H new ATOM 0 HA GLU A2041 -12.436 15.576 2.445 1.00 62.10 H new ATOM 0 HB2 GLU A2041 -11.917 15.810 4.772 1.00 51.10 H new ATOM 0 HB3 GLU A2041 -13.054 14.486 4.618 1.00 51.10 H new ATOM 0 HG2 GLU A2041 -10.478 13.303 4.346 1.00 72.23 H new ATOM 0 HG3 GLU A2041 -10.324 14.453 5.659 1.00 72.23 H new ATOM 479 N ARG A2042 -9.779 16.007 3.276 1.00 64.11 N ATOM 480 CA ARG A2042 -8.392 16.385 3.058 1.00 72.12 C ATOM 481 C ARG A2042 -7.517 15.874 4.204 1.00 32.21 C ATOM 482 O ARG A2042 -6.499 16.484 4.531 1.00 1.42 O ATOM 483 CB ARG A2042 -8.248 17.905 2.952 1.00 61.42 C ATOM 484 CG ARG A2042 -9.394 18.616 3.673 1.00 75.22 C ATOM 485 CD ARG A2042 -9.372 18.313 5.172 1.00 34.14 C ATOM 486 NE ARG A2042 -8.987 19.524 5.929 1.00 33.31 N ATOM 487 CZ ARG A2042 -7.715 19.858 6.229 1.00 42.55 C ATOM 488 NH1 ARG A2042 -6.690 19.071 5.836 1.00 55.31 N ATOM 489 NH2 ARG A2042 -7.486 20.965 6.910 1.00 40.15 N ATOM 0 H ARG A2042 -10.244 16.508 4.033 1.00 64.11 H new ATOM 0 HA ARG A2042 -8.067 15.934 2.120 1.00 72.12 H new ATOM 0 HB2 ARG A2042 -7.295 18.214 3.382 1.00 61.42 H new ATOM 0 HB3 ARG A2042 -8.235 18.200 1.903 1.00 61.42 H new ATOM 0 HG2 ARG A2042 -9.316 19.692 3.515 1.00 75.22 H new ATOM 0 HG3 ARG A2042 -10.347 18.300 3.249 1.00 75.22 H new ATOM 0 HD2 ARG A2042 -10.354 17.969 5.496 1.00 34.14 H new ATOM 0 HD3 ARG A2042 -8.668 17.507 5.378 1.00 34.14 H new ATOM 0 HE ARG A2042 -9.731 20.146 6.244 1.00 33.31 H new ATOM 0 HH11 ARG A2042 -6.875 18.218 5.309 1.00 55.31 H new ATOM 0 HH12 ARG A2042 -5.731 19.330 6.066 1.00 55.31 H new ATOM 0 HH21 ARG A2042 -8.265 21.555 7.202 1.00 40.15 H new ATOM 0 HH22 ARG A2042 -6.530 21.231 7.144 1.00 40.15 H new ATOM 501 N ASN A2043 -7.944 14.762 4.781 1.00 11.55 N ATOM 502 CA ASN A2043 -7.210 14.162 5.884 1.00 61.44 C ATOM 503 C ASN A2043 -6.415 12.961 5.368 1.00 71.21 C ATOM 504 O ASN A2043 -6.869 11.822 5.473 1.00 63.14 O ATOM 505 CB ASN A2043 -8.163 13.667 6.973 1.00 24.45 C ATOM 506 CG ASN A2043 -8.728 14.837 7.783 1.00 62.53 C ATOM 507 OD1 ASN A2043 -8.675 15.988 7.378 1.00 3.45 O ATOM 508 ND2 ASN A2043 -9.273 14.482 8.942 1.00 4.04 N ATOM 0 H ASN A2043 -8.788 14.260 4.507 1.00 11.55 H new ATOM 0 HA ASN A2043 -6.548 14.920 6.302 1.00 61.44 H new ATOM 0 HB2 ASN A2043 -8.980 13.107 6.519 1.00 24.45 H new ATOM 0 HB3 ASN A2043 -7.637 12.981 7.637 1.00 24.45 H new ATOM 0 HD21 ASN A2043 -9.680 15.191 9.552 1.00 4.04 H new ATOM 0 HD22 ASN A2043 -9.284 13.501 9.221 1.00 4.04 H new ATOM 515 N VAL A2044 -5.244 13.256 4.825 1.00 41.44 N ATOM 516 CA VAL A2044 -4.382 12.213 4.293 1.00 60.42 C ATOM 517 C VAL A2044 -3.951 11.286 5.430 1.00 64.34 C ATOM 518 O VAL A2044 -3.525 10.157 5.187 1.00 13.13 O ATOM 519 CB VAL A2044 -3.198 12.842 3.553 1.00 25.33 C ATOM 520 CG1 VAL A2044 -2.114 11.799 3.272 1.00 3.23 C ATOM 521 CG2 VAL A2044 -3.658 13.518 2.259 1.00 15.41 C ATOM 0 H VAL A2044 -4.871 14.202 4.741 1.00 41.44 H new ATOM 0 HA VAL A2044 -4.920 11.606 3.565 1.00 60.42 H new ATOM 0 HB VAL A2044 -2.767 13.609 4.196 1.00 25.33 H new ATOM 0 HG11 VAL A2044 -1.284 12.270 2.746 1.00 3.23 H new ATOM 0 HG12 VAL A2044 -1.757 11.382 4.214 1.00 3.23 H new ATOM 0 HG13 VAL A2044 -2.528 11.001 2.656 1.00 3.23 H new ATOM 0 HG21 VAL A2044 -2.798 13.957 1.752 1.00 15.41 H new ATOM 0 HG22 VAL A2044 -4.124 12.778 1.608 1.00 15.41 H new ATOM 0 HG23 VAL A2044 -4.379 14.301 2.494 1.00 15.41 H new ATOM 531 N LYS A2045 -4.079 11.794 6.648 1.00 43.32 N ATOM 532 CA LYS A2045 -3.708 11.023 7.822 1.00 55.44 C ATOM 533 C LYS A2045 -4.378 9.650 7.759 1.00 32.54 C ATOM 534 O LYS A2045 -3.797 8.651 8.180 1.00 24.32 O ATOM 535 CB LYS A2045 -4.028 11.806 9.097 1.00 1.52 C ATOM 536 CG LYS A2045 -5.407 12.463 9.008 1.00 45.23 C ATOM 537 CD LYS A2045 -5.281 13.958 8.708 1.00 61.25 C ATOM 538 CE LYS A2045 -5.275 14.776 10.000 1.00 14.33 C ATOM 539 NZ LYS A2045 -4.251 15.844 9.933 1.00 11.04 N ATOM 0 H LYS A2045 -4.434 12.729 6.846 1.00 43.32 H new ATOM 0 HA LYS A2045 -2.632 10.851 7.841 1.00 55.44 H new ATOM 0 HB2 LYS A2045 -3.995 11.136 9.957 1.00 1.52 H new ATOM 0 HB3 LYS A2045 -3.267 12.570 9.259 1.00 1.52 H new ATOM 0 HG2 LYS A2045 -5.995 11.980 8.228 1.00 45.23 H new ATOM 0 HG3 LYS A2045 -5.944 12.320 9.946 1.00 45.23 H new ATOM 0 HD2 LYS A2045 -4.363 14.145 8.150 1.00 61.25 H new ATOM 0 HD3 LYS A2045 -6.109 14.277 8.075 1.00 61.25 H new ATOM 0 HE2 LYS A2045 -6.259 15.217 10.163 1.00 14.33 H new ATOM 0 HE3 LYS A2045 -5.073 14.124 10.850 1.00 14.33 H new ATOM 0 HZ1 LYS A2045 -4.260 16.390 10.818 1.00 11.04 H new ATOM 0 HZ2 LYS A2045 -3.312 15.417 9.799 1.00 11.04 H new ATOM 0 HZ3 LYS A2045 -4.460 16.476 9.134 1.00 11.04 H new ATOM 552 N GLY A2046 -5.593 9.644 7.230 1.00 3.01 N ATOM 553 CA GLY A2046 -6.349 8.408 7.106 1.00 10.10 C ATOM 554 C GLY A2046 -5.592 7.386 6.254 1.00 4.04 C ATOM 555 O GLY A2046 -5.439 6.232 6.654 1.00 4.12 O ATOM 0 H GLY A2046 -6.073 10.474 6.882 1.00 3.01 H new ATOM 0 HA2 GLY A2046 -6.539 7.993 8.096 1.00 10.10 H new ATOM 0 HA3 GLY A2046 -7.320 8.615 6.656 1.00 10.10 H new ATOM 559 N MET A2047 -5.139 7.846 5.097 1.00 42.25 N ATOM 560 CA MET A2047 -4.402 6.986 4.187 1.00 5.45 C ATOM 561 C MET A2047 -3.096 6.505 4.823 1.00 52.30 C ATOM 562 O MET A2047 -2.728 5.339 4.687 1.00 52.30 O ATOM 563 CB MET A2047 -4.092 7.752 2.901 1.00 2.33 C ATOM 564 CG MET A2047 -3.166 6.940 1.990 1.00 73.13 C ATOM 565 SD MET A2047 -1.463 7.237 2.431 1.00 2.14 S ATOM 566 CE MET A2047 -1.417 9.017 2.315 1.00 53.35 C ATOM 0 H MET A2047 -5.268 8.803 4.769 1.00 42.25 H new ATOM 0 HA MET A2047 -5.017 6.114 3.962 1.00 5.45 H new ATOM 0 HB2 MET A2047 -5.020 7.978 2.375 1.00 2.33 H new ATOM 0 HB3 MET A2047 -3.624 8.706 3.145 1.00 2.33 H new ATOM 0 HG2 MET A2047 -3.394 5.878 2.080 1.00 73.13 H new ATOM 0 HG3 MET A2047 -3.334 7.215 0.949 1.00 73.13 H new ATOM 0 HE1 MET A2047 -0.476 9.328 1.862 1.00 53.35 H new ATOM 0 HE2 MET A2047 -2.247 9.363 1.700 1.00 53.35 H new ATOM 0 HE3 MET A2047 -1.500 9.449 3.312 1.00 53.35 H new ATOM 576 N PHE A2048 -2.431 7.427 5.504 1.00 50.01 N ATOM 577 CA PHE A2048 -1.174 7.113 6.161 1.00 22.21 C ATOM 578 C PHE A2048 -1.406 6.253 7.404 1.00 21.21 C ATOM 579 O PHE A2048 -0.637 5.333 7.679 1.00 14.13 O ATOM 580 CB PHE A2048 -0.546 8.443 6.584 1.00 12.21 C ATOM 581 CG PHE A2048 0.091 9.223 5.434 1.00 14.21 C ATOM 582 CD1 PHE A2048 0.800 8.569 4.477 1.00 62.42 C ATOM 583 CD2 PHE A2048 -0.050 10.576 5.370 1.00 32.21 C ATOM 584 CE1 PHE A2048 1.391 9.294 3.409 1.00 13.44 C ATOM 585 CE2 PHE A2048 0.541 11.302 4.303 1.00 42.21 C ATOM 586 CZ PHE A2048 1.250 10.644 3.345 1.00 51.11 C ATOM 0 H PHE A2048 -2.740 8.393 5.615 1.00 50.01 H new ATOM 0 HA PHE A2048 -0.528 6.556 5.482 1.00 22.21 H new ATOM 0 HB2 PHE A2048 -1.312 9.063 7.050 1.00 12.21 H new ATOM 0 HB3 PHE A2048 0.212 8.250 7.343 1.00 12.21 H new ATOM 0 HD1 PHE A2048 0.914 7.496 4.529 1.00 62.42 H new ATOM 0 HD2 PHE A2048 -0.612 11.097 6.131 1.00 32.21 H new ATOM 0 HE1 PHE A2048 1.952 8.773 2.648 1.00 13.44 H new ATOM 0 HE2 PHE A2048 0.428 12.375 4.251 1.00 42.21 H new ATOM 0 HZ PHE A2048 1.701 11.196 2.533 1.00 51.11 H new ATOM 596 N GLU A2049 -2.469 6.581 8.123 1.00 23.01 N ATOM 597 CA GLU A2049 -2.812 5.849 9.329 1.00 74.40 C ATOM 598 C GLU A2049 -3.431 4.496 8.975 1.00 64.25 C ATOM 599 O GLU A2049 -3.552 3.621 9.829 1.00 13.33 O ATOM 600 CB GLU A2049 -3.753 6.668 10.217 1.00 31.24 C ATOM 601 CG GLU A2049 -5.195 6.582 9.713 1.00 13.54 C ATOM 602 CD GLU A2049 -5.900 5.343 10.275 1.00 43.23 C ATOM 603 OE1 GLU A2049 -5.923 4.292 9.617 1.00 34.33 O ATOM 604 OE2 GLU A2049 -6.435 5.501 11.438 1.00 41.31 O ATOM 0 H GLU A2049 -3.105 7.345 7.893 1.00 23.01 H new ATOM 0 HA GLU A2049 -1.897 5.669 9.893 1.00 74.40 H new ATOM 0 HB2 GLU A2049 -3.700 6.303 11.243 1.00 31.24 H new ATOM 0 HB3 GLU A2049 -3.431 7.709 10.232 1.00 31.24 H new ATOM 0 HG2 GLU A2049 -5.740 7.479 10.006 1.00 13.54 H new ATOM 0 HG3 GLU A2049 -5.202 6.546 8.624 1.00 13.54 H new ATOM 612 N VAL A2050 -3.807 4.369 7.709 1.00 74.22 N ATOM 613 CA VAL A2050 -4.412 3.137 7.230 1.00 43.10 C ATOM 614 C VAL A2050 -3.309 2.151 6.842 1.00 13.54 C ATOM 615 O VAL A2050 -3.388 0.967 7.165 1.00 21.33 O ATOM 616 CB VAL A2050 -5.374 3.440 6.080 1.00 64.34 C ATOM 617 CG1 VAL A2050 -5.614 2.195 5.223 1.00 15.02 C ATOM 618 CG2 VAL A2050 -6.694 4.008 6.604 1.00 33.13 C ATOM 0 H VAL A2050 -3.704 5.098 7.003 1.00 74.22 H new ATOM 0 HA VAL A2050 -5.004 2.670 8.017 1.00 43.10 H new ATOM 0 HB VAL A2050 -4.911 4.198 5.448 1.00 64.34 H new ATOM 0 HG11 VAL A2050 -6.301 2.438 4.413 1.00 15.02 H new ATOM 0 HG12 VAL A2050 -4.667 1.853 4.805 1.00 15.02 H new ATOM 0 HG13 VAL A2050 -6.045 1.406 5.840 1.00 15.02 H new ATOM 0 HG21 VAL A2050 -7.359 4.215 5.766 1.00 33.13 H new ATOM 0 HG22 VAL A2050 -7.163 3.284 7.270 1.00 33.13 H new ATOM 0 HG23 VAL A2050 -6.501 4.931 7.150 1.00 33.13 H new ATOM 628 N LEU A2051 -2.304 2.676 6.157 1.00 72.13 N ATOM 629 CA LEU A2051 -1.185 1.856 5.721 1.00 41.02 C ATOM 630 C LEU A2051 -0.264 1.583 6.913 1.00 10.01 C ATOM 631 O LEU A2051 0.144 0.445 7.138 1.00 2.22 O ATOM 632 CB LEU A2051 -0.476 2.505 4.532 1.00 23.32 C ATOM 633 CG LEU A2051 -1.323 2.707 3.274 1.00 2.12 C ATOM 634 CD1 LEU A2051 -2.804 2.456 3.564 1.00 31.23 C ATOM 635 CD2 LEU A2051 -1.084 4.092 2.669 1.00 74.32 C ATOM 0 H LEU A2051 -2.241 3.659 5.893 1.00 72.13 H new ATOM 0 HA LEU A2051 -1.538 0.889 5.362 1.00 41.02 H new ATOM 0 HB2 LEU A2051 -0.094 3.476 4.848 1.00 23.32 H new ATOM 0 HB3 LEU A2051 0.387 1.892 4.270 1.00 23.32 H new ATOM 0 HG LEU A2051 -1.012 1.973 2.531 1.00 2.12 H new ATOM 0 HD11 LEU A2051 -3.384 2.606 2.653 1.00 31.23 H new ATOM 0 HD12 LEU A2051 -2.938 1.433 3.914 1.00 31.23 H new ATOM 0 HD13 LEU A2051 -3.147 3.150 4.331 1.00 31.23 H new ATOM 0 HD21 LEU A2051 -1.698 4.210 1.776 1.00 74.32 H new ATOM 0 HD22 LEU A2051 -1.351 4.858 3.397 1.00 74.32 H new ATOM 0 HD23 LEU A2051 -0.032 4.196 2.402 1.00 74.32 H new ATOM 647 N GLU A2052 0.035 2.647 7.645 1.00 21.10 N ATOM 648 CA GLU A2052 0.899 2.536 8.807 1.00 70.11 C ATOM 649 C GLU A2052 0.677 1.194 9.508 1.00 25.34 C ATOM 650 O GLU A2052 1.623 0.437 9.721 1.00 10.01 O ATOM 651 CB GLU A2052 0.673 3.702 9.772 1.00 22.14 C ATOM 652 CG GLU A2052 1.863 4.663 9.758 1.00 42.12 C ATOM 653 CD GLU A2052 2.989 4.154 10.660 1.00 44.24 C ATOM 654 OE1 GLU A2052 4.012 3.668 10.156 1.00 3.43 O ATOM 655 OE2 GLU A2052 2.774 4.279 11.924 1.00 22.15 O ATOM 0 H GLU A2052 -0.306 3.589 7.455 1.00 21.10 H new ATOM 0 HA GLU A2052 1.935 2.581 8.470 1.00 70.11 H new ATOM 0 HB2 GLU A2052 -0.235 4.238 9.495 1.00 22.14 H new ATOM 0 HB3 GLU A2052 0.522 3.319 10.781 1.00 22.14 H new ATOM 0 HG2 GLU A2052 2.232 4.776 8.739 1.00 42.12 H new ATOM 0 HG3 GLU A2052 1.542 5.650 10.092 1.00 42.12 H new ATOM 663 N PRO A2053 -0.612 0.933 9.855 1.00 22.21 N ATOM 664 CA PRO A2053 -0.969 -0.305 10.527 1.00 61.31 C ATOM 665 C PRO A2053 -0.958 -1.482 9.551 1.00 1.01 C ATOM 666 O PRO A2053 -0.322 -2.504 9.810 1.00 73.14 O ATOM 667 CB PRO A2053 -2.341 -0.044 11.127 1.00 75.20 C ATOM 668 CG PRO A2053 -2.901 1.157 10.382 1.00 71.12 C ATOM 669 CD PRO A2053 -1.757 1.805 9.619 1.00 31.34 C ATOM 0 HA PRO A2053 -0.255 -0.584 11.302 1.00 61.31 H new ATOM 0 HB2 PRO A2053 -2.989 -0.912 11.011 1.00 75.20 H new ATOM 0 HB3 PRO A2053 -2.268 0.159 12.195 1.00 75.20 H new ATOM 0 HG2 PRO A2053 -3.690 0.848 9.697 1.00 71.12 H new ATOM 0 HG3 PRO A2053 -3.345 1.867 11.080 1.00 71.12 H new ATOM 0 HD2 PRO A2053 -1.984 1.881 8.556 1.00 31.34 H new ATOM 0 HD3 PRO A2053 -1.565 2.816 9.977 1.00 31.34 H new ATOM 677 N LEU A2054 -1.670 -1.302 8.447 1.00 52.23 N ATOM 678 CA LEU A2054 -1.750 -2.337 7.431 1.00 44.02 C ATOM 679 C LEU A2054 -0.342 -2.844 7.114 1.00 14.31 C ATOM 680 O LEU A2054 -0.073 -4.041 7.213 1.00 51.03 O ATOM 681 CB LEU A2054 -2.509 -1.826 6.204 1.00 50.25 C ATOM 682 CG LEU A2054 -4.032 -1.963 6.253 1.00 33.33 C ATOM 683 CD1 LEU A2054 -4.512 -2.253 7.678 1.00 40.33 C ATOM 684 CD2 LEU A2054 -4.715 -0.728 5.660 1.00 62.31 C ATOM 0 H LEU A2054 -2.196 -0.454 8.235 1.00 52.23 H new ATOM 0 HA LEU A2054 -2.321 -3.189 7.800 1.00 44.02 H new ATOM 0 HB2 LEU A2054 -2.263 -0.774 6.061 1.00 50.25 H new ATOM 0 HB3 LEU A2054 -2.144 -2.360 5.327 1.00 50.25 H new ATOM 0 HG LEU A2054 -4.316 -2.816 5.636 1.00 33.33 H new ATOM 0 HD11 LEU A2054 -5.598 -2.346 7.684 1.00 40.33 H new ATOM 0 HD12 LEU A2054 -4.066 -3.183 8.030 1.00 40.33 H new ATOM 0 HD13 LEU A2054 -4.214 -1.437 8.336 1.00 40.33 H new ATOM 0 HD21 LEU A2054 -5.797 -0.852 5.708 1.00 62.31 H new ATOM 0 HD22 LEU A2054 -4.426 0.156 6.229 1.00 62.31 H new ATOM 0 HD23 LEU A2054 -4.409 -0.607 4.621 1.00 62.31 H new ATOM 696 N HIS A2055 0.520 -1.910 6.738 1.00 71.23 N ATOM 697 CA HIS A2055 1.892 -2.248 6.406 1.00 31.22 C ATOM 698 C HIS A2055 2.575 -2.878 7.623 1.00 65.23 C ATOM 699 O HIS A2055 3.139 -3.968 7.527 1.00 73.03 O ATOM 700 CB HIS A2055 2.641 -1.022 5.876 1.00 21.42 C ATOM 701 CG HIS A2055 2.200 -0.583 4.500 1.00 42.31 C ATOM 702 ND1 HIS A2055 2.456 0.682 3.999 1.00 54.33 N ATOM 703 CD2 HIS A2055 1.519 -1.252 3.526 1.00 3.45 C ATOM 704 CE1 HIS A2055 1.948 0.761 2.779 1.00 33.34 C ATOM 705 NE2 HIS A2055 1.368 -0.439 2.487 1.00 40.11 N ATOM 0 H HIS A2055 0.293 -0.919 6.656 1.00 71.23 H new ATOM 0 HA HIS A2055 1.904 -2.985 5.603 1.00 31.22 H new ATOM 0 HB2 HIS A2055 2.503 -0.195 6.572 1.00 21.42 H new ATOM 0 HB3 HIS A2055 3.708 -1.243 5.852 1.00 21.42 H new ATOM 0 HD2 HIS A2055 1.163 -2.270 3.589 1.00 3.45 H new ATOM 0 HE1 HIS A2055 1.986 1.623 2.130 1.00 33.34 H new ATOM 0 HE2 HIS A2055 0.896 -0.673 1.614 1.00 40.11 H new ATOM 714 N ALA A2056 2.500 -2.166 8.737 1.00 4.41 N ATOM 715 CA ALA A2056 3.103 -2.643 9.970 1.00 32.33 C ATOM 716 C ALA A2056 2.654 -4.083 10.231 1.00 41.22 C ATOM 717 O ALA A2056 3.481 -4.961 10.463 1.00 54.10 O ATOM 718 CB ALA A2056 2.731 -1.700 11.117 1.00 33.51 C ATOM 0 H ALA A2056 2.031 -1.263 8.812 1.00 4.41 H new ATOM 0 HA ALA A2056 4.190 -2.647 9.889 1.00 32.33 H new ATOM 0 HB1 ALA A2056 3.183 -2.057 12.043 1.00 33.51 H new ATOM 0 HB2 ALA A2056 3.098 -0.697 10.897 1.00 33.51 H new ATOM 0 HB3 ALA A2056 1.647 -1.673 11.229 1.00 33.51 H new ATOM 724 N MET A2057 1.345 -4.278 10.181 1.00 23.42 N ATOM 725 CA MET A2057 0.775 -5.597 10.407 1.00 14.50 C ATOM 726 C MET A2057 1.463 -6.647 9.534 1.00 32.11 C ATOM 727 O MET A2057 1.701 -7.769 9.979 1.00 51.13 O ATOM 728 CB MET A2057 -0.721 -5.567 10.092 1.00 65.35 C ATOM 729 CG MET A2057 -1.072 -6.588 9.007 1.00 4.51 C ATOM 730 SD MET A2057 -2.834 -6.605 8.731 1.00 21.24 S ATOM 731 CE MET A2057 -2.870 -6.722 6.950 1.00 11.23 C ATOM 0 H MET A2057 0.662 -3.546 9.987 1.00 23.42 H new ATOM 0 HA MET A2057 0.928 -5.866 11.452 1.00 14.50 H new ATOM 0 HB2 MET A2057 -1.291 -5.781 10.996 1.00 65.35 H new ATOM 0 HB3 MET A2057 -1.007 -4.568 9.763 1.00 65.35 H new ATOM 0 HG2 MET A2057 -0.553 -6.340 8.081 1.00 4.51 H new ATOM 0 HG3 MET A2057 -0.733 -7.580 9.306 1.00 4.51 H new ATOM 0 HE1 MET A2057 -3.904 -6.726 6.606 1.00 11.23 H new ATOM 0 HE2 MET A2057 -2.348 -5.868 6.519 1.00 11.23 H new ATOM 0 HE3 MET A2057 -2.380 -7.644 6.636 1.00 11.23 H new ATOM 741 N MET A2058 1.761 -6.247 8.307 1.00 1.13 N ATOM 742 CA MET A2058 2.417 -7.141 7.367 1.00 61.33 C ATOM 743 C MET A2058 3.844 -7.455 7.814 1.00 4.41 C ATOM 744 O MET A2058 4.350 -8.549 7.563 1.00 45.51 O ATOM 745 CB MET A2058 2.447 -6.493 5.982 1.00 65.43 C ATOM 746 CG MET A2058 1.029 -6.226 5.471 1.00 54.23 C ATOM 747 SD MET A2058 0.631 -7.362 4.153 1.00 2.02 S ATOM 748 CE MET A2058 -1.075 -7.710 4.549 1.00 3.51 C ATOM 0 H MET A2058 1.561 -5.316 7.941 1.00 1.13 H new ATOM 0 HA MET A2058 1.855 -8.074 7.329 1.00 61.33 H new ATOM 0 HB2 MET A2058 3.004 -5.557 6.026 1.00 65.43 H new ATOM 0 HB3 MET A2058 2.973 -7.144 5.283 1.00 65.43 H new ATOM 0 HG2 MET A2058 0.313 -6.336 6.286 1.00 54.23 H new ATOM 0 HG3 MET A2058 0.950 -5.199 5.114 1.00 54.23 H new ATOM 0 HE1 MET A2058 -1.603 -8.018 3.646 1.00 3.51 H new ATOM 0 HE2 MET A2058 -1.121 -8.511 5.287 1.00 3.51 H new ATOM 0 HE3 MET A2058 -1.544 -6.814 4.956 1.00 3.51 H new ATOM 758 N GLU A2059 4.454 -6.481 8.470 1.00 40.41 N ATOM 759 CA GLU A2059 5.815 -6.639 8.957 1.00 25.12 C ATOM 760 C GLU A2059 5.829 -7.492 10.226 1.00 2.33 C ATOM 761 O GLU A2059 6.382 -8.591 10.233 1.00 50.51 O ATOM 762 CB GLU A2059 6.471 -5.279 9.202 1.00 1.41 C ATOM 763 CG GLU A2059 6.063 -4.270 8.129 1.00 31.22 C ATOM 764 CD GLU A2059 5.979 -4.936 6.753 1.00 64.23 C ATOM 765 OE1 GLU A2059 6.761 -5.851 6.459 1.00 14.10 O ATOM 766 OE2 GLU A2059 5.059 -4.471 5.978 1.00 24.40 O ATOM 0 H GLU A2059 4.031 -5.576 8.677 1.00 40.41 H new ATOM 0 HA GLU A2059 6.397 -7.153 8.192 1.00 25.12 H new ATOM 0 HB2 GLU A2059 6.184 -4.905 10.185 1.00 1.41 H new ATOM 0 HB3 GLU A2059 7.555 -5.390 9.207 1.00 1.41 H new ATOM 0 HG2 GLU A2059 5.098 -3.832 8.385 1.00 31.22 H new ATOM 0 HG3 GLU A2059 6.785 -3.454 8.099 1.00 31.22 H new ATOM 774 N ARG A2060 5.213 -6.956 11.269 1.00 71.22 N ATOM 775 CA ARG A2060 5.148 -7.654 12.541 1.00 51.00 C ATOM 776 C ARG A2060 4.222 -8.868 12.434 1.00 62.34 C ATOM 777 O ARG A2060 4.317 -9.799 13.231 1.00 62.10 O ATOM 778 CB ARG A2060 4.642 -6.731 13.651 1.00 72.20 C ATOM 779 CG ARG A2060 3.204 -6.285 13.380 1.00 63.21 C ATOM 780 CD ARG A2060 2.748 -5.250 14.410 1.00 43.13 C ATOM 781 NE ARG A2060 2.110 -5.928 15.561 1.00 64.13 N ATOM 782 CZ ARG A2060 1.341 -5.303 16.476 1.00 74.14 C ATOM 783 NH1 ARG A2060 1.106 -3.975 16.383 1.00 64.14 N ATOM 784 NH2 ARG A2060 0.820 -6.006 17.464 1.00 73.01 N ATOM 0 H ARG A2060 4.754 -6.045 11.259 1.00 71.22 H new ATOM 0 HA ARG A2060 6.157 -7.983 12.790 1.00 51.00 H new ATOM 0 HB2 ARG A2060 4.692 -7.248 14.609 1.00 72.20 H new ATOM 0 HB3 ARG A2060 5.290 -5.857 13.726 1.00 72.20 H new ATOM 0 HG2 ARG A2060 3.133 -5.862 12.378 1.00 63.21 H new ATOM 0 HG3 ARG A2060 2.540 -7.149 13.409 1.00 63.21 H new ATOM 0 HD2 ARG A2060 3.601 -4.663 14.750 1.00 43.13 H new ATOM 0 HD3 ARG A2060 2.045 -4.554 13.952 1.00 43.13 H new ATOM 0 HE ARG A2060 2.261 -6.931 15.669 1.00 64.13 H new ATOM 0 HH11 ARG A2060 1.511 -3.438 15.617 1.00 64.14 H new ATOM 0 HH12 ARG A2060 0.523 -3.510 17.079 1.00 64.14 H new ATOM 0 HH21 ARG A2060 1.001 -7.008 17.528 1.00 73.01 H new ATOM 0 HH22 ARG A2060 0.236 -5.548 18.164 1.00 73.01 H new ATOM 796 N GLY A2061 3.346 -8.817 11.440 1.00 23.12 N ATOM 797 CA GLY A2061 2.403 -9.900 11.218 1.00 70.42 C ATOM 798 C GLY A2061 2.652 -10.575 9.869 1.00 45.01 C ATOM 799 O GLY A2061 1.964 -10.288 8.889 1.00 73.31 O ATOM 0 H GLY A2061 3.270 -8.043 10.780 1.00 23.12 H new ATOM 0 HA2 GLY A2061 2.492 -10.635 12.018 1.00 70.42 H new ATOM 0 HA3 GLY A2061 1.385 -9.513 11.253 1.00 70.42 H new ATOM 803 N PRO A2062 3.664 -11.484 9.857 1.00 31.31 N ATOM 804 CA PRO A2062 4.013 -12.202 8.642 1.00 75.20 C ATOM 805 C PRO A2062 2.985 -13.292 8.338 1.00 23.55 C ATOM 806 O PRO A2062 1.869 -13.263 8.858 1.00 1.32 O ATOM 807 CB PRO A2062 5.406 -12.753 8.899 1.00 62.13 C ATOM 808 CG PRO A2062 5.597 -12.721 10.406 1.00 12.31 C ATOM 809 CD PRO A2062 4.501 -11.849 10.996 1.00 24.03 C ATOM 0 HA PRO A2062 4.009 -11.564 7.758 1.00 75.20 H new ATOM 0 HB2 PRO A2062 5.501 -13.769 8.515 1.00 62.13 H new ATOM 0 HB3 PRO A2062 6.163 -12.150 8.397 1.00 62.13 H new ATOM 0 HG2 PRO A2062 5.547 -13.729 10.819 1.00 12.31 H new ATOM 0 HG3 PRO A2062 6.580 -12.322 10.658 1.00 12.31 H new ATOM 0 HD2 PRO A2062 3.929 -12.389 11.751 1.00 24.03 H new ATOM 0 HD3 PRO A2062 4.916 -10.966 11.482 1.00 24.03 H new ATOM 817 N GLN A2063 3.396 -14.230 7.495 1.00 15.41 N ATOM 818 CA GLN A2063 2.525 -15.328 7.115 1.00 64.22 C ATOM 819 C GLN A2063 3.333 -16.618 6.958 1.00 32.14 C ATOM 820 O GLN A2063 3.323 -17.472 7.845 1.00 60.14 O ATOM 821 CB GLN A2063 1.760 -15.002 5.830 1.00 63.10 C ATOM 822 CG GLN A2063 0.276 -14.768 6.120 1.00 64.41 C ATOM 823 CD GLN A2063 -0.482 -16.095 6.211 1.00 41.11 C ATOM 824 OE1 GLN A2063 0.021 -17.093 6.697 1.00 34.40 O ATOM 825 NE2 GLN A2063 -1.715 -16.047 5.714 1.00 34.52 N ATOM 0 H GLN A2063 4.321 -14.251 7.065 1.00 15.41 H new ATOM 0 HA GLN A2063 1.792 -15.475 7.909 1.00 64.22 H new ATOM 0 HB2 GLN A2063 2.187 -14.115 5.363 1.00 63.10 H new ATOM 0 HB3 GLN A2063 1.871 -15.821 5.119 1.00 63.10 H new ATOM 0 HG2 GLN A2063 0.167 -14.218 7.055 1.00 64.41 H new ATOM 0 HG3 GLN A2063 -0.159 -14.150 5.334 1.00 64.41 H new ATOM 0 HE21 GLN A2063 -2.073 -15.176 5.322 1.00 34.52 H new ATOM 0 HE22 GLN A2063 -2.302 -16.881 5.725 1.00 34.52 H new ATOM 834 N THR A2064 4.014 -16.719 5.828 1.00 74.00 N ATOM 835 CA THR A2064 4.827 -17.890 5.544 1.00 60.02 C ATOM 836 C THR A2064 5.904 -17.554 4.511 1.00 72.12 C ATOM 837 O THR A2064 6.032 -16.404 4.094 1.00 62.33 O ATOM 838 CB THR A2064 3.892 -19.018 5.104 1.00 61.51 C ATOM 839 OG1 THR A2064 3.029 -18.403 4.151 1.00 32.02 O ATOM 840 CG2 THR A2064 2.951 -19.470 6.222 1.00 52.31 C ATOM 0 H THR A2064 4.020 -16.008 5.096 1.00 74.00 H new ATOM 0 HA THR A2064 5.366 -18.223 6.431 1.00 60.02 H new ATOM 0 HB THR A2064 4.485 -19.867 4.764 1.00 61.51 H new ATOM 0 HG1 THR A2064 2.391 -19.065 3.813 1.00 32.02 H new ATOM 0 HG21 THR A2064 2.310 -20.272 5.856 1.00 52.31 H new ATOM 0 HG22 THR A2064 3.537 -19.831 7.067 1.00 52.31 H new ATOM 0 HG23 THR A2064 2.335 -18.629 6.541 1.00 52.31 H new ATOM 848 N LEU A2065 6.652 -18.579 4.129 1.00 72.41 N ATOM 849 CA LEU A2065 7.714 -18.407 3.153 1.00 21.15 C ATOM 850 C LEU A2065 7.122 -17.858 1.854 1.00 64.32 C ATOM 851 O LEU A2065 7.807 -17.169 1.097 1.00 34.13 O ATOM 852 CB LEU A2065 8.488 -19.714 2.969 1.00 15.54 C ATOM 853 CG LEU A2065 10.002 -19.575 2.784 1.00 51.12 C ATOM 854 CD1 LEU A2065 10.328 -18.728 1.553 1.00 21.02 C ATOM 855 CD2 LEU A2065 10.661 -19.022 4.050 1.00 43.11 C ATOM 0 H LEU A2065 6.543 -19.531 4.478 1.00 72.41 H new ATOM 0 HA LEU A2065 8.442 -17.677 3.507 1.00 21.15 H new ATOM 0 HB2 LEU A2065 8.304 -20.348 3.837 1.00 15.54 H new ATOM 0 HB3 LEU A2065 8.082 -20.235 2.102 1.00 15.54 H new ATOM 0 HG LEU A2065 10.417 -20.568 2.612 1.00 51.12 H new ATOM 0 HD11 LEU A2065 11.409 -18.645 1.445 1.00 21.02 H new ATOM 0 HD12 LEU A2065 9.909 -19.201 0.665 1.00 21.02 H new ATOM 0 HD13 LEU A2065 9.898 -17.734 1.671 1.00 21.02 H new ATOM 0 HD21 LEU A2065 11.736 -18.933 3.892 1.00 43.11 H new ATOM 0 HD22 LEU A2065 10.245 -18.040 4.277 1.00 43.11 H new ATOM 0 HD23 LEU A2065 10.472 -19.698 4.884 1.00 43.11 H new ATOM 867 N LYS A2066 5.855 -18.180 1.633 1.00 24.41 N ATOM 868 CA LYS A2066 5.164 -17.726 0.440 1.00 20.44 C ATOM 869 C LYS A2066 4.896 -16.223 0.549 1.00 22.13 C ATOM 870 O LYS A2066 5.079 -15.484 -0.416 1.00 4.02 O ATOM 871 CB LYS A2066 3.903 -18.559 0.201 1.00 30.11 C ATOM 872 CG LYS A2066 4.136 -19.607 -0.891 1.00 70.31 C ATOM 873 CD LYS A2066 4.698 -20.901 -0.297 1.00 71.25 C ATOM 874 CE LYS A2066 4.592 -22.053 -1.298 1.00 24.14 C ATOM 875 NZ LYS A2066 4.365 -23.334 -0.591 1.00 71.04 N ATOM 0 H LYS A2066 5.290 -18.751 2.262 1.00 24.41 H new ATOM 0 HA LYS A2066 5.789 -17.875 -0.440 1.00 20.44 H new ATOM 0 HB2 LYS A2066 3.608 -19.053 1.127 1.00 30.11 H new ATOM 0 HB3 LYS A2066 3.080 -17.905 -0.087 1.00 30.11 H new ATOM 0 HG2 LYS A2066 3.198 -19.816 -1.406 1.00 70.31 H new ATOM 0 HG3 LYS A2066 4.828 -19.214 -1.636 1.00 70.31 H new ATOM 0 HD2 LYS A2066 5.741 -20.754 -0.015 1.00 71.25 H new ATOM 0 HD3 LYS A2066 4.155 -21.154 0.613 1.00 71.25 H new ATOM 0 HE2 LYS A2066 3.774 -21.864 -1.993 1.00 24.14 H new ATOM 0 HE3 LYS A2066 5.505 -22.114 -1.890 1.00 24.14 H new ATOM 0 HZ1 LYS A2066 4.295 -24.106 -1.285 1.00 71.04 H new ATOM 0 HZ2 LYS A2066 5.159 -23.519 0.055 1.00 71.04 H new ATOM 0 HZ3 LYS A2066 3.481 -23.278 -0.046 1.00 71.04 H new ATOM 888 N GLU A2067 4.468 -15.817 1.735 1.00 74.23 N ATOM 889 CA GLU A2067 4.174 -14.416 1.984 1.00 51.12 C ATOM 890 C GLU A2067 5.471 -13.618 2.123 1.00 12.41 C ATOM 891 O GLU A2067 5.472 -12.397 1.975 1.00 43.52 O ATOM 892 CB GLU A2067 3.294 -14.253 3.226 1.00 41.24 C ATOM 893 CG GLU A2067 2.023 -13.467 2.898 1.00 32.05 C ATOM 894 CD GLU A2067 0.855 -14.414 2.605 1.00 53.45 C ATOM 895 OE1 GLU A2067 0.443 -15.180 3.486 1.00 72.12 O ATOM 896 OE2 GLU A2067 0.374 -14.331 1.410 1.00 54.34 O ATOM 0 H GLU A2067 4.318 -16.433 2.534 1.00 74.23 H new ATOM 0 HA GLU A2067 3.619 -14.024 1.132 1.00 51.12 H new ATOM 0 HB2 GLU A2067 3.028 -15.234 3.619 1.00 41.24 H new ATOM 0 HB3 GLU A2067 3.853 -13.738 4.007 1.00 41.24 H new ATOM 0 HG2 GLU A2067 1.767 -12.816 3.734 1.00 32.05 H new ATOM 0 HG3 GLU A2067 2.200 -12.824 2.036 1.00 32.05 H new ATOM 904 N THR A2068 6.546 -14.339 2.406 1.00 44.32 N ATOM 905 CA THR A2068 7.846 -13.713 2.566 1.00 3.02 C ATOM 906 C THR A2068 8.268 -13.019 1.270 1.00 44.50 C ATOM 907 O THR A2068 8.852 -11.938 1.301 1.00 1.33 O ATOM 908 CB THR A2068 8.834 -14.787 3.030 1.00 0.43 C ATOM 909 OG1 THR A2068 8.638 -14.854 4.440 1.00 23.25 O ATOM 910 CG2 THR A2068 10.291 -14.346 2.878 1.00 20.13 C ATOM 0 H THR A2068 6.542 -15.352 2.529 1.00 44.32 H new ATOM 0 HA THR A2068 7.816 -12.929 3.322 1.00 3.02 H new ATOM 0 HB THR A2068 8.669 -15.702 2.460 1.00 0.43 H new ATOM 0 HG1 THR A2068 7.807 -15.336 4.632 1.00 23.25 H new ATOM 0 HG21 THR A2068 10.950 -15.143 3.221 1.00 20.13 H new ATOM 0 HG22 THR A2068 10.498 -14.130 1.830 1.00 20.13 H new ATOM 0 HG23 THR A2068 10.464 -13.450 3.475 1.00 20.13 H new ATOM 918 N SER A2069 7.955 -13.671 0.159 1.00 54.32 N ATOM 919 CA SER A2069 8.293 -13.130 -1.146 1.00 14.53 C ATOM 920 C SER A2069 7.368 -11.961 -1.485 1.00 54.33 C ATOM 921 O SER A2069 7.760 -11.040 -2.199 1.00 64.23 O ATOM 922 CB SER A2069 8.206 -14.208 -2.230 1.00 12.51 C ATOM 923 OG SER A2069 8.918 -15.388 -1.866 1.00 41.21 O ATOM 0 H SER A2069 7.471 -14.569 0.136 1.00 54.32 H new ATOM 0 HA SER A2069 9.322 -12.771 -1.110 1.00 14.53 H new ATOM 0 HB2 SER A2069 7.160 -14.457 -2.411 1.00 12.51 H new ATOM 0 HB3 SER A2069 8.607 -13.816 -3.165 1.00 12.51 H new ATOM 0 HG SER A2069 8.838 -16.053 -2.582 1.00 41.21 H new ATOM 929 N PHE A2070 6.156 -12.035 -0.955 1.00 63.53 N ATOM 930 CA PHE A2070 5.170 -10.994 -1.193 1.00 65.22 C ATOM 931 C PHE A2070 5.570 -9.691 -0.500 1.00 43.03 C ATOM 932 O PHE A2070 5.636 -8.640 -1.138 1.00 1.01 O ATOM 933 CB PHE A2070 3.848 -11.487 -0.599 1.00 71.34 C ATOM 934 CG PHE A2070 2.708 -10.468 -0.685 1.00 44.33 C ATOM 935 CD1 PHE A2070 2.742 -9.346 0.082 1.00 41.32 C ATOM 936 CD2 PHE A2070 1.665 -10.686 -1.530 1.00 11.53 C ATOM 937 CE1 PHE A2070 1.685 -8.400 0.000 1.00 23.54 C ATOM 938 CE2 PHE A2070 0.608 -9.741 -1.609 1.00 42.32 C ATOM 939 CZ PHE A2070 0.641 -8.617 -0.843 1.00 32.31 C ATOM 0 H PHE A2070 5.834 -12.800 -0.362 1.00 63.53 H new ATOM 0 HA PHE A2070 5.089 -10.796 -2.262 1.00 65.22 H new ATOM 0 HB2 PHE A2070 3.547 -12.398 -1.116 1.00 71.34 H new ATOM 0 HB3 PHE A2070 4.007 -11.751 0.446 1.00 71.34 H new ATOM 0 HD1 PHE A2070 3.571 -9.174 0.752 1.00 41.32 H new ATOM 0 HD2 PHE A2070 1.641 -11.577 -2.140 1.00 11.53 H new ATOM 0 HE1 PHE A2070 1.711 -7.508 0.608 1.00 23.54 H new ATOM 0 HE2 PHE A2070 -0.222 -9.915 -2.277 1.00 42.32 H new ATOM 0 HZ PHE A2070 -0.162 -7.897 -0.905 1.00 32.31 H new ATOM 949 N ASN A2071 5.831 -9.801 0.794 1.00 1.32 N ATOM 950 CA ASN A2071 6.225 -8.643 1.578 1.00 64.31 C ATOM 951 C ASN A2071 7.529 -8.071 1.018 1.00 42.31 C ATOM 952 O ASN A2071 7.771 -6.869 1.105 1.00 44.40 O ATOM 953 CB ASN A2071 6.468 -9.026 3.041 1.00 72.11 C ATOM 954 CG ASN A2071 6.641 -7.780 3.911 1.00 71.31 C ATOM 955 OD1 ASN A2071 5.705 -7.270 4.506 1.00 31.24 O ATOM 956 ND2 ASN A2071 7.887 -7.319 3.953 1.00 11.31 N ATOM 0 H ASN A2071 5.777 -10.674 1.319 1.00 1.32 H new ATOM 0 HA ASN A2071 5.420 -7.910 1.524 1.00 64.31 H new ATOM 0 HB2 ASN A2071 5.631 -9.618 3.410 1.00 72.11 H new ATOM 0 HB3 ASN A2071 7.358 -9.652 3.114 1.00 72.11 H new ATOM 0 HD21 ASN A2071 8.106 -6.491 4.507 1.00 11.31 H new ATOM 0 HD22 ASN A2071 8.624 -7.793 3.431 1.00 11.31 H new ATOM 963 N GLN A2072 8.334 -8.960 0.454 1.00 41.14 N ATOM 964 CA GLN A2072 9.606 -8.559 -0.122 1.00 61.42 C ATOM 965 C GLN A2072 9.389 -7.914 -1.492 1.00 33.13 C ATOM 966 O GLN A2072 9.997 -6.892 -1.805 1.00 54.10 O ATOM 967 CB GLN A2072 10.562 -9.750 -0.221 1.00 32.21 C ATOM 968 CG GLN A2072 11.217 -10.040 1.130 1.00 44.42 C ATOM 969 CD GLN A2072 12.495 -10.866 0.954 1.00 40.42 C ATOM 970 OE1 GLN A2072 13.089 -10.916 -0.109 1.00 12.21 O ATOM 971 NE2 GLN A2072 12.880 -11.506 2.056 1.00 43.54 N ATOM 0 H GLN A2072 8.130 -9.957 0.384 1.00 41.14 H new ATOM 0 HA GLN A2072 10.064 -7.821 0.536 1.00 61.42 H new ATOM 0 HB2 GLN A2072 10.018 -10.631 -0.562 1.00 32.21 H new ATOM 0 HB3 GLN A2072 11.331 -9.543 -0.965 1.00 32.21 H new ATOM 0 HG2 GLN A2072 11.452 -9.102 1.633 1.00 44.42 H new ATOM 0 HG3 GLN A2072 10.517 -10.578 1.770 1.00 44.42 H new ATOM 0 HE21 GLN A2072 12.334 -11.419 2.913 1.00 43.54 H new ATOM 0 HE22 GLN A2072 13.721 -12.083 2.043 1.00 43.54 H new ATOM 980 N ALA A2073 8.519 -8.539 -2.273 1.00 33.01 N ATOM 981 CA ALA A2073 8.215 -8.040 -3.603 1.00 70.41 C ATOM 982 C ALA A2073 7.952 -6.533 -3.530 1.00 62.45 C ATOM 983 O ALA A2073 8.564 -5.756 -4.260 1.00 0.11 O ATOM 984 CB ALA A2073 7.026 -8.811 -4.179 1.00 75.21 C ATOM 0 H ALA A2073 8.016 -9.386 -2.010 1.00 33.01 H new ATOM 0 HA ALA A2073 9.060 -8.196 -4.273 1.00 70.41 H new ATOM 0 HB1 ALA A2073 6.798 -8.436 -5.177 1.00 75.21 H new ATOM 0 HB2 ALA A2073 7.273 -9.871 -4.237 1.00 75.21 H new ATOM 0 HB3 ALA A2073 6.158 -8.676 -3.534 1.00 75.21 H new ATOM 990 N TYR A2074 7.039 -6.167 -2.641 1.00 42.33 N ATOM 991 CA TYR A2074 6.686 -4.769 -2.463 1.00 11.44 C ATOM 992 C TYR A2074 7.600 -4.101 -1.431 1.00 75.20 C ATOM 993 O TYR A2074 7.765 -2.883 -1.440 1.00 43.01 O ATOM 994 CB TYR A2074 5.251 -4.759 -1.937 1.00 4.43 C ATOM 995 CG TYR A2074 4.311 -5.714 -2.676 1.00 11.23 C ATOM 996 CD1 TYR A2074 3.941 -5.448 -3.979 1.00 12.52 C ATOM 997 CD2 TYR A2074 3.833 -6.841 -2.040 1.00 2.21 C ATOM 998 CE1 TYR A2074 3.057 -6.345 -4.674 1.00 3.34 C ATOM 999 CE2 TYR A2074 2.950 -7.740 -2.736 1.00 33.51 C ATOM 1000 CZ TYR A2074 2.605 -7.449 -4.019 1.00 63.54 C ATOM 1001 OH TYR A2074 1.770 -8.297 -4.675 1.00 4.00 O ATOM 0 H TYR A2074 6.534 -6.815 -2.037 1.00 42.33 H new ATOM 0 HA TYR A2074 6.790 -4.224 -3.401 1.00 11.44 H new ATOM 0 HB2 TYR A2074 5.261 -5.021 -0.879 1.00 4.43 H new ATOM 0 HB3 TYR A2074 4.855 -3.746 -2.011 1.00 4.43 H new ATOM 0 HD1 TYR A2074 4.315 -4.566 -4.477 1.00 12.52 H new ATOM 0 HD2 TYR A2074 4.121 -7.049 -1.020 1.00 2.21 H new ATOM 0 HE1 TYR A2074 2.759 -6.147 -5.693 1.00 3.34 H new ATOM 0 HE2 TYR A2074 2.570 -8.626 -2.250 1.00 33.51 H new ATOM 0 HH TYR A2074 1.718 -9.146 -4.188 1.00 4.00 H new ATOM 1011 N GLY A2075 8.167 -4.929 -0.567 1.00 24.42 N ATOM 1012 CA GLY A2075 9.059 -4.436 0.469 1.00 52.21 C ATOM 1013 C GLY A2075 9.904 -3.268 -0.047 1.00 54.14 C ATOM 1014 O GLY A2075 10.203 -2.337 0.699 1.00 60.34 O ATOM 0 H GLY A2075 8.026 -5.939 -0.563 1.00 24.42 H new ATOM 0 HA2 GLY A2075 8.477 -4.115 1.333 1.00 52.21 H new ATOM 0 HA3 GLY A2075 9.712 -5.241 0.806 1.00 52.21 H new ATOM 1018 N ARG A2076 10.264 -3.356 -1.319 1.00 32.54 N ATOM 1019 CA ARG A2076 11.068 -2.320 -1.941 1.00 42.42 C ATOM 1020 C ARG A2076 10.188 -1.132 -2.340 1.00 44.42 C ATOM 1021 O ARG A2076 10.435 -0.003 -1.919 1.00 41.51 O ATOM 1022 CB ARG A2076 11.787 -2.851 -3.182 1.00 24.14 C ATOM 1023 CG ARG A2076 12.486 -1.719 -3.939 1.00 14.51 C ATOM 1024 CD ARG A2076 13.512 -1.017 -3.048 1.00 51.33 C ATOM 1025 NE ARG A2076 14.855 -1.088 -3.668 1.00 31.14 N ATOM 1026 CZ ARG A2076 15.178 -0.509 -4.844 1.00 15.35 C ATOM 1027 NH1 ARG A2076 14.258 0.192 -5.537 1.00 60.10 N ATOM 1028 NH2 ARG A2076 16.408 -0.638 -5.303 1.00 24.04 N ATOM 0 H ARG A2076 10.013 -4.129 -1.935 1.00 32.54 H new ATOM 0 HA ARG A2076 11.813 -1.997 -1.213 1.00 42.42 H new ATOM 0 HB2 ARG A2076 12.519 -3.603 -2.888 1.00 24.14 H new ATOM 0 HB3 ARG A2076 11.070 -3.344 -3.839 1.00 24.14 H new ATOM 0 HG2 ARG A2076 12.981 -2.119 -4.824 1.00 14.51 H new ATOM 0 HG3 ARG A2076 11.746 -0.998 -4.286 1.00 14.51 H new ATOM 0 HD2 ARG A2076 13.225 0.024 -2.900 1.00 51.33 H new ATOM 0 HD3 ARG A2076 13.532 -1.485 -2.064 1.00 51.33 H new ATOM 0 HE ARG A2076 15.582 -1.607 -3.175 1.00 31.14 H new ATOM 0 HH11 ARG A2076 13.310 0.288 -5.173 1.00 60.10 H new ATOM 0 HH12 ARG A2076 14.510 0.626 -6.425 1.00 60.10 H new ATOM 0 HH21 ARG A2076 17.098 -1.169 -4.771 1.00 24.04 H new ATOM 0 HH22 ARG A2076 16.669 -0.207 -6.190 1.00 24.04 H new ATOM 1040 N ASP A2077 9.179 -1.429 -3.147 1.00 21.13 N ATOM 1041 CA ASP A2077 8.261 -0.401 -3.607 1.00 2.13 C ATOM 1042 C ASP A2077 7.741 0.387 -2.403 1.00 51.43 C ATOM 1043 O ASP A2077 7.868 1.609 -2.356 1.00 62.14 O ATOM 1044 CB ASP A2077 7.060 -1.018 -4.324 1.00 70.12 C ATOM 1045 CG ASP A2077 7.372 -1.656 -5.679 1.00 61.32 C ATOM 1046 OD1 ASP A2077 7.911 -2.769 -5.752 1.00 11.23 O ATOM 1047 OD2 ASP A2077 7.035 -0.950 -6.706 1.00 71.41 O ATOM 0 H ASP A2077 8.978 -2.367 -3.494 1.00 21.13 H new ATOM 0 HA ASP A2077 8.799 0.248 -4.298 1.00 2.13 H new ATOM 0 HB2 ASP A2077 6.619 -1.775 -3.676 1.00 70.12 H new ATOM 0 HB3 ASP A2077 6.306 -0.244 -4.469 1.00 70.12 H new ATOM 1053 N LEU A2078 7.165 -0.345 -1.461 1.00 20.15 N ATOM 1054 CA LEU A2078 6.625 0.271 -0.261 1.00 0.32 C ATOM 1055 C LEU A2078 7.699 1.150 0.384 1.00 24.43 C ATOM 1056 O LEU A2078 7.396 2.218 0.913 1.00 3.41 O ATOM 1057 CB LEU A2078 6.057 -0.795 0.678 1.00 14.13 C ATOM 1058 CG LEU A2078 4.777 -1.489 0.210 1.00 71.12 C ATOM 1059 CD1 LEU A2078 4.141 -2.295 1.344 1.00 15.01 C ATOM 1060 CD2 LEU A2078 3.797 -0.482 -0.395 1.00 74.12 C ATOM 0 H LEU A2078 7.060 -1.359 -1.504 1.00 20.15 H new ATOM 0 HA LEU A2078 5.788 0.923 -0.511 1.00 0.32 H new ATOM 0 HB2 LEU A2078 6.822 -1.556 0.837 1.00 14.13 H new ATOM 0 HB3 LEU A2078 5.863 -0.332 1.645 1.00 14.13 H new ATOM 0 HG LEU A2078 5.042 -2.195 -0.577 1.00 71.12 H new ATOM 0 HD11 LEU A2078 3.233 -2.777 0.983 1.00 15.01 H new ATOM 0 HD12 LEU A2078 4.843 -3.054 1.689 1.00 15.01 H new ATOM 0 HD13 LEU A2078 3.894 -1.628 2.170 1.00 15.01 H new ATOM 0 HD21 LEU A2078 2.896 -1.002 -0.720 1.00 74.12 H new ATOM 0 HD22 LEU A2078 3.535 0.266 0.354 1.00 74.12 H new ATOM 0 HD23 LEU A2078 4.261 0.008 -1.251 1.00 74.12 H new ATOM 1072 N MET A2079 8.931 0.667 0.318 1.00 12.41 N ATOM 1073 CA MET A2079 10.050 1.395 0.889 1.00 51.32 C ATOM 1074 C MET A2079 10.207 2.768 0.229 1.00 14.13 C ATOM 1075 O MET A2079 10.360 3.776 0.916 1.00 14.14 O ATOM 1076 CB MET A2079 11.336 0.588 0.700 1.00 2.11 C ATOM 1077 CG MET A2079 12.055 0.378 2.034 1.00 52.21 C ATOM 1078 SD MET A2079 12.318 -1.363 2.320 1.00 4.32 S ATOM 1079 CE MET A2079 11.940 -1.454 4.061 1.00 22.13 C ATOM 0 H MET A2079 9.178 -0.219 -0.122 1.00 12.41 H new ATOM 0 HA MET A2079 9.857 1.543 1.951 1.00 51.32 H new ATOM 0 HB2 MET A2079 11.100 -0.378 0.254 1.00 2.11 H new ATOM 0 HB3 MET A2079 11.996 1.107 0.005 1.00 2.11 H new ATOM 0 HG2 MET A2079 13.011 0.902 2.027 1.00 52.21 H new ATOM 0 HG3 MET A2079 11.464 0.803 2.845 1.00 52.21 H new ATOM 0 HE1 MET A2079 12.055 -2.482 4.405 1.00 22.13 H new ATOM 0 HE2 MET A2079 12.620 -0.807 4.615 1.00 22.13 H new ATOM 0 HE3 MET A2079 10.913 -1.129 4.228 1.00 22.13 H new ATOM 1089 N GLU A2080 10.162 2.759 -1.093 1.00 63.14 N ATOM 1090 CA GLU A2080 10.296 3.989 -1.854 1.00 65.33 C ATOM 1091 C GLU A2080 9.136 4.937 -1.543 1.00 35.25 C ATOM 1092 O GLU A2080 9.351 6.050 -1.066 1.00 51.43 O ATOM 1093 CB GLU A2080 10.378 3.700 -3.355 1.00 70.23 C ATOM 1094 CG GLU A2080 10.626 4.986 -4.148 1.00 4.02 C ATOM 1095 CD GLU A2080 11.698 4.771 -5.220 1.00 10.14 C ATOM 1096 OE1 GLU A2080 12.779 4.242 -4.918 1.00 71.23 O ATOM 1097 OE2 GLU A2080 11.374 5.172 -6.403 1.00 1.40 O ATOM 0 H GLU A2080 10.035 1.919 -1.658 1.00 63.14 H new ATOM 0 HA GLU A2080 11.226 4.474 -1.558 1.00 65.33 H new ATOM 0 HB2 GLU A2080 11.181 2.988 -3.549 1.00 70.23 H new ATOM 0 HB3 GLU A2080 9.451 3.234 -3.691 1.00 70.23 H new ATOM 0 HG2 GLU A2080 9.698 5.313 -4.617 1.00 4.02 H new ATOM 0 HG3 GLU A2080 10.938 5.781 -3.471 1.00 4.02 H new ATOM 1105 N ALA A2081 7.933 4.460 -1.822 1.00 62.31 N ATOM 1106 CA ALA A2081 6.738 5.250 -1.577 1.00 2.12 C ATOM 1107 C ALA A2081 6.747 5.743 -0.128 1.00 22.04 C ATOM 1108 O ALA A2081 6.401 6.890 0.144 1.00 55.13 O ATOM 1109 CB ALA A2081 5.498 4.415 -1.900 1.00 62.24 C ATOM 0 H ALA A2081 7.759 3.535 -2.216 1.00 62.31 H new ATOM 0 HA ALA A2081 6.718 6.127 -2.225 1.00 2.12 H new ATOM 0 HB1 ALA A2081 4.602 5.008 -1.716 1.00 62.24 H new ATOM 0 HB2 ALA A2081 5.525 4.114 -2.947 1.00 62.24 H new ATOM 0 HB3 ALA A2081 5.482 3.528 -1.267 1.00 62.24 H new ATOM 1115 N GLN A2082 7.146 4.847 0.765 1.00 53.34 N ATOM 1116 CA GLN A2082 7.206 5.177 2.179 1.00 64.15 C ATOM 1117 C GLN A2082 8.113 6.387 2.405 1.00 24.14 C ATOM 1118 O GLN A2082 7.778 7.284 3.176 1.00 1.12 O ATOM 1119 CB GLN A2082 7.675 3.976 3.003 1.00 24.05 C ATOM 1120 CG GLN A2082 7.765 4.332 4.487 1.00 31.43 C ATOM 1121 CD GLN A2082 6.808 3.471 5.316 1.00 13.22 C ATOM 1122 OE1 GLN A2082 5.602 3.652 5.307 1.00 0.50 O ATOM 1123 NE2 GLN A2082 7.412 2.525 6.030 1.00 3.43 N ATOM 0 H GLN A2082 7.430 3.894 0.536 1.00 53.34 H new ATOM 0 HA GLN A2082 6.202 5.435 2.514 1.00 64.15 H new ATOM 0 HB2 GLN A2082 6.984 3.144 2.866 1.00 24.05 H new ATOM 0 HB3 GLN A2082 8.649 3.643 2.645 1.00 24.05 H new ATOM 0 HG2 GLN A2082 8.787 4.188 4.838 1.00 31.43 H new ATOM 0 HG3 GLN A2082 7.526 5.386 4.627 1.00 31.43 H new ATOM 0 HE21 GLN A2082 8.427 2.427 5.992 1.00 3.43 H new ATOM 0 HE22 GLN A2082 6.861 1.897 6.615 1.00 3.43 H new ATOM 1132 N GLU A2083 9.247 6.373 1.719 1.00 25.32 N ATOM 1133 CA GLU A2083 10.206 7.458 1.835 1.00 32.14 C ATOM 1134 C GLU A2083 9.585 8.770 1.350 1.00 60.33 C ATOM 1135 O GLU A2083 9.827 9.826 1.931 1.00 23.33 O ATOM 1136 CB GLU A2083 11.488 7.139 1.064 1.00 51.54 C ATOM 1137 CG GLU A2083 11.776 8.211 0.011 1.00 52.21 C ATOM 1138 CD GLU A2083 13.089 7.925 -0.719 1.00 53.34 C ATOM 1139 OE1 GLU A2083 14.124 7.711 -0.069 1.00 44.53 O ATOM 1140 OE2 GLU A2083 13.012 7.931 -2.005 1.00 45.12 O ATOM 0 H GLU A2083 9.523 5.627 1.081 1.00 25.32 H new ATOM 0 HA GLU A2083 10.472 7.573 2.886 1.00 32.14 H new ATOM 0 HB2 GLU A2083 12.326 7.071 1.757 1.00 51.54 H new ATOM 0 HB3 GLU A2083 11.394 6.166 0.581 1.00 51.54 H new ATOM 0 HG2 GLU A2083 10.957 8.249 -0.708 1.00 52.21 H new ATOM 0 HG3 GLU A2083 11.827 9.190 0.488 1.00 52.21 H new ATOM 1148 N TRP A2084 8.798 8.658 0.290 1.00 12.31 N ATOM 1149 CA TRP A2084 8.142 9.821 -0.280 1.00 61.33 C ATOM 1150 C TRP A2084 7.146 10.355 0.751 1.00 12.10 C ATOM 1151 O TRP A2084 6.923 11.561 0.839 1.00 54.53 O ATOM 1152 CB TRP A2084 7.488 9.482 -1.623 1.00 14.53 C ATOM 1153 CG TRP A2084 8.486 9.156 -2.734 1.00 43.42 C ATOM 1154 CD1 TRP A2084 8.857 7.950 -3.185 1.00 62.21 C ATOM 1155 CD2 TRP A2084 9.232 10.107 -3.525 1.00 25.33 C ATOM 1156 NE1 TRP A2084 9.782 8.054 -4.204 1.00 5.44 N ATOM 1157 CE2 TRP A2084 10.017 9.406 -4.418 1.00 44.31 C ATOM 1158 CE3 TRP A2084 9.241 11.513 -3.489 1.00 32.01 C ATOM 1159 CZ2 TRP A2084 10.871 10.025 -5.340 1.00 32.34 C ATOM 1160 CZ3 TRP A2084 10.099 12.116 -4.416 1.00 71.15 C ATOM 1161 CH2 TRP A2084 10.896 11.424 -5.319 1.00 42.22 C ATOM 0 H TRP A2084 8.600 7.779 -0.189 1.00 12.31 H new ATOM 0 HA TRP A2084 8.869 10.603 -0.500 1.00 61.33 H new ATOM 0 HB2 TRP A2084 6.821 8.631 -1.486 1.00 14.53 H new ATOM 0 HB3 TRP A2084 6.871 10.323 -1.938 1.00 14.53 H new ATOM 0 HD1 TRP A2084 8.480 7.014 -2.800 1.00 62.21 H new ATOM 0 HE1 TRP A2084 10.214 7.279 -4.708 1.00 5.44 H new ATOM 0 HE3 TRP A2084 8.634 12.082 -2.801 1.00 32.01 H new ATOM 0 HZ2 TRP A2084 11.476 9.454 -6.029 1.00 32.34 H new ATOM 0 HZ3 TRP A2084 10.145 13.195 -4.430 1.00 71.15 H new ATOM 0 HH2 TRP A2084 11.533 11.964 -6.003 1.00 42.22 H new ATOM 1172 N CYS A2085 6.571 9.430 1.506 1.00 2.05 N ATOM 1173 CA CYS A2085 5.604 9.791 2.528 1.00 40.42 C ATOM 1174 C CYS A2085 6.325 10.606 3.604 1.00 32.53 C ATOM 1175 O CYS A2085 5.950 11.745 3.882 1.00 23.54 O ATOM 1176 CB CYS A2085 4.911 8.559 3.112 1.00 0.14 C ATOM 1177 SG CYS A2085 4.037 9.007 4.657 1.00 63.24 S ATOM 0 H CYS A2085 6.757 8.430 1.430 1.00 2.05 H new ATOM 0 HA CYS A2085 4.812 10.395 2.086 1.00 40.42 H new ATOM 0 HB2 CYS A2085 4.204 8.152 2.389 1.00 0.14 H new ATOM 0 HB3 CYS A2085 5.646 7.779 3.313 1.00 0.14 H new ATOM 0 HG CYS A2085 2.773 9.178 4.406 1.00 63.24 H new ATOM 1183 N ARG A2086 7.346 9.991 4.183 1.00 30.12 N ATOM 1184 CA ARG A2086 8.122 10.643 5.222 1.00 52.40 C ATOM 1185 C ARG A2086 8.648 11.991 4.725 1.00 61.03 C ATOM 1186 O ARG A2086 8.646 12.975 5.463 1.00 42.42 O ATOM 1187 CB ARG A2086 9.301 9.773 5.660 1.00 33.42 C ATOM 1188 CG ARG A2086 8.814 8.494 6.346 1.00 61.33 C ATOM 1189 CD ARG A2086 9.426 7.254 5.692 1.00 53.13 C ATOM 1190 NE ARG A2086 10.812 7.062 6.169 1.00 0.44 N ATOM 1191 CZ ARG A2086 11.134 6.637 7.411 1.00 61.21 C ATOM 1192 NH1 ARG A2086 10.168 6.356 8.310 1.00 3.31 N ATOM 1193 NH2 ARG A2086 12.407 6.501 7.730 1.00 2.24 N ATOM 0 H ARG A2086 7.653 9.046 3.951 1.00 30.12 H new ATOM 0 HA ARG A2086 7.464 10.798 6.077 1.00 52.40 H new ATOM 0 HB2 ARG A2086 9.910 9.516 4.793 1.00 33.42 H new ATOM 0 HB3 ARG A2086 9.939 10.335 6.342 1.00 33.42 H new ATOM 0 HG2 ARG A2086 9.079 8.520 7.403 1.00 61.33 H new ATOM 0 HG3 ARG A2086 7.727 8.439 6.291 1.00 61.33 H new ATOM 0 HD2 ARG A2086 8.826 6.375 5.928 1.00 53.13 H new ATOM 0 HD3 ARG A2086 9.418 7.363 4.608 1.00 53.13 H new ATOM 0 HE ARG A2086 11.573 7.263 5.520 1.00 0.44 H new ATOM 0 HH11 ARG A2086 9.186 6.464 8.054 1.00 3.31 H new ATOM 0 HH12 ARG A2086 10.419 6.036 9.245 1.00 3.31 H new ATOM 0 HH21 ARG A2086 13.130 6.716 7.044 1.00 2.24 H new ATOM 0 HH22 ARG A2086 12.668 6.181 8.663 1.00 2.24 H new ATOM 1205 N LYS A2087 9.089 11.992 3.474 1.00 75.11 N ATOM 1206 CA LYS A2087 9.618 13.203 2.868 1.00 31.24 C ATOM 1207 C LYS A2087 8.521 14.267 2.824 1.00 64.24 C ATOM 1208 O LYS A2087 8.788 15.448 3.033 1.00 73.43 O ATOM 1209 CB LYS A2087 10.233 12.893 1.502 1.00 15.14 C ATOM 1210 CG LYS A2087 10.498 14.178 0.716 1.00 15.33 C ATOM 1211 CD LYS A2087 9.649 14.228 -0.556 1.00 44.22 C ATOM 1212 CE LYS A2087 10.523 14.074 -1.803 1.00 63.11 C ATOM 1213 NZ LYS A2087 11.223 12.770 -1.790 1.00 33.11 N ATOM 0 H LYS A2087 9.091 11.174 2.865 1.00 75.11 H new ATOM 0 HA LYS A2087 10.430 13.609 3.471 1.00 31.24 H new ATOM 0 HB2 LYS A2087 11.166 12.345 1.635 1.00 15.14 H new ATOM 0 HB3 LYS A2087 9.562 12.248 0.935 1.00 15.14 H new ATOM 0 HG2 LYS A2087 10.275 15.043 1.341 1.00 15.33 H new ATOM 0 HG3 LYS A2087 11.555 14.237 0.455 1.00 15.33 H new ATOM 0 HD2 LYS A2087 8.902 13.435 -0.531 1.00 44.22 H new ATOM 0 HD3 LYS A2087 9.109 15.174 -0.600 1.00 44.22 H new ATOM 0 HE2 LYS A2087 9.906 14.153 -2.698 1.00 63.11 H new ATOM 0 HE3 LYS A2087 11.252 14.884 -1.846 1.00 63.11 H new ATOM 0 HZ1 LYS A2087 12.249 12.926 -1.853 1.00 33.11 H new ATOM 0 HZ2 LYS A2087 11.003 12.267 -0.907 1.00 33.11 H new ATOM 0 HZ3 LYS A2087 10.909 12.199 -2.601 1.00 33.11 H new ATOM 1226 N TYR A2088 7.308 13.809 2.543 1.00 11.14 N ATOM 1227 CA TYR A2088 6.169 14.707 2.467 1.00 3.50 C ATOM 1228 C TYR A2088 5.728 15.154 3.862 1.00 32.44 C ATOM 1229 O TYR A2088 5.592 16.348 4.121 1.00 71.02 O ATOM 1230 CB TYR A2088 5.039 13.900 1.823 1.00 44.44 C ATOM 1231 CG TYR A2088 3.640 14.437 2.126 1.00 74.12 C ATOM 1232 CD1 TYR A2088 2.981 14.037 3.271 1.00 13.52 C ATOM 1233 CD2 TYR A2088 3.035 15.321 1.256 1.00 40.34 C ATOM 1234 CE1 TYR A2088 1.663 14.542 3.557 1.00 33.25 C ATOM 1235 CE2 TYR A2088 1.718 15.827 1.542 1.00 70.41 C ATOM 1236 CZ TYR A2088 1.096 15.412 2.679 1.00 22.41 C ATOM 1237 OH TYR A2088 -0.148 15.889 2.950 1.00 23.03 O ATOM 0 H TYR A2088 7.091 12.828 2.366 1.00 11.14 H new ATOM 0 HA TYR A2088 6.423 15.601 1.898 1.00 3.50 H new ATOM 0 HB2 TYR A2088 5.186 13.887 0.743 1.00 44.44 H new ATOM 0 HB3 TYR A2088 5.103 12.867 2.166 1.00 44.44 H new ATOM 0 HD1 TYR A2088 3.454 13.345 3.952 1.00 13.52 H new ATOM 0 HD2 TYR A2088 3.550 15.634 0.360 1.00 40.34 H new ATOM 0 HE1 TYR A2088 1.136 14.237 4.449 1.00 33.25 H new ATOM 0 HE2 TYR A2088 1.235 16.520 0.870 1.00 70.41 H new ATOM 0 HH TYR A2088 -0.426 16.501 2.237 1.00 23.03 H new ATOM 1247 N MET A2089 5.515 14.171 4.724 1.00 3.15 N ATOM 1248 CA MET A2089 5.091 14.448 6.086 1.00 4.45 C ATOM 1249 C MET A2089 6.048 15.428 6.768 1.00 34.52 C ATOM 1250 O MET A2089 5.632 16.218 7.615 1.00 34.32 O ATOM 1251 CB MET A2089 5.045 13.142 6.883 1.00 44.42 C ATOM 1252 CG MET A2089 3.877 12.264 6.428 1.00 64.24 C ATOM 1253 SD MET A2089 3.288 11.276 7.794 1.00 10.33 S ATOM 1254 CE MET A2089 1.527 11.493 7.597 1.00 2.23 C ATOM 0 H MET A2089 5.628 13.181 4.506 1.00 3.15 H new ATOM 0 HA MET A2089 4.099 14.899 6.053 1.00 4.45 H new ATOM 0 HB2 MET A2089 5.983 12.601 6.756 1.00 44.42 H new ATOM 0 HB3 MET A2089 4.946 13.363 7.946 1.00 44.42 H new ATOM 0 HG2 MET A2089 3.070 12.888 6.045 1.00 64.24 H new ATOM 0 HG3 MET A2089 4.195 11.617 5.611 1.00 64.24 H new ATOM 0 HE1 MET A2089 1.143 12.108 8.411 1.00 2.23 H new ATOM 0 HE2 MET A2089 1.325 11.984 6.645 1.00 2.23 H new ATOM 0 HE3 MET A2089 1.036 10.520 7.615 1.00 2.23 H new ATOM 1264 N LYS A2090 7.310 15.345 6.375 1.00 34.42 N ATOM 1265 CA LYS A2090 8.327 16.215 6.939 1.00 4.50 C ATOM 1266 C LYS A2090 8.123 17.638 6.415 1.00 73.43 C ATOM 1267 O LYS A2090 7.935 18.571 7.195 1.00 22.33 O ATOM 1268 CB LYS A2090 9.724 15.654 6.662 1.00 14.04 C ATOM 1269 CG LYS A2090 10.696 16.026 7.786 1.00 24.34 C ATOM 1270 CD LYS A2090 11.124 17.491 7.678 1.00 23.13 C ATOM 1271 CE LYS A2090 11.263 18.124 9.063 1.00 44.05 C ATOM 1272 NZ LYS A2090 11.563 19.569 8.944 1.00 74.04 N ATOM 0 H LYS A2090 7.651 14.689 5.673 1.00 34.42 H new ATOM 0 HA LYS A2090 8.233 16.257 8.024 1.00 4.50 H new ATOM 0 HB2 LYS A2090 9.672 14.570 6.565 1.00 14.04 H new ATOM 0 HB3 LYS A2090 10.094 16.042 5.713 1.00 14.04 H new ATOM 0 HG2 LYS A2090 10.224 15.852 8.753 1.00 24.34 H new ATOM 0 HG3 LYS A2090 11.574 15.382 7.740 1.00 24.34 H new ATOM 0 HD2 LYS A2090 12.073 17.558 7.146 1.00 23.13 H new ATOM 0 HD3 LYS A2090 10.391 18.046 7.092 1.00 23.13 H new ATOM 0 HE2 LYS A2090 10.342 17.983 9.628 1.00 44.05 H new ATOM 0 HE3 LYS A2090 12.057 17.626 9.619 1.00 44.05 H new ATOM 0 HZ1 LYS A2090 11.654 19.984 9.893 1.00 74.04 H new ATOM 0 HZ2 LYS A2090 12.454 19.697 8.423 1.00 74.04 H new ATOM 0 HZ3 LYS A2090 10.792 20.043 8.432 1.00 74.04 H new ATOM 1285 N SER A2091 8.165 17.761 5.097 1.00 64.04 N ATOM 1286 CA SER A2091 7.987 19.054 4.459 1.00 41.11 C ATOM 1287 C SER A2091 8.141 18.919 2.944 1.00 24.13 C ATOM 1288 O SER A2091 9.089 19.447 2.363 1.00 41.10 O ATOM 1289 CB SER A2091 8.982 20.081 5.005 1.00 30.44 C ATOM 1290 OG SER A2091 8.393 21.369 5.157 1.00 13.01 O ATOM 0 H SER A2091 8.320 16.986 4.453 1.00 64.04 H new ATOM 0 HA SER A2091 6.981 19.408 4.684 1.00 41.11 H new ATOM 0 HB2 SER A2091 9.362 19.741 5.968 1.00 30.44 H new ATOM 0 HB3 SER A2091 9.837 20.151 4.332 1.00 30.44 H new ATOM 0 HG SER A2091 9.060 21.994 5.509 1.00 13.01 H new ATOM 1296 N GLY A2092 7.198 18.206 2.345 1.00 34.23 N ATOM 1297 CA GLY A2092 7.220 17.992 0.909 1.00 41.24 C ATOM 1298 C GLY A2092 6.036 18.689 0.233 1.00 72.01 C ATOM 1299 O GLY A2092 5.682 19.812 0.595 1.00 1.34 O ATOM 0 H GLY A2092 6.414 17.769 2.829 1.00 34.23 H new ATOM 0 HA2 GLY A2092 8.154 18.371 0.495 1.00 41.24 H new ATOM 0 HA3 GLY A2092 7.188 16.923 0.696 1.00 41.24 H new ATOM 1303 N ASN A2093 5.457 17.995 -0.736 1.00 73.33 N ATOM 1304 CA ASN A2093 4.319 18.533 -1.464 1.00 61.11 C ATOM 1305 C ASN A2093 3.470 17.380 -2.001 1.00 13.33 C ATOM 1306 O ASN A2093 3.926 16.237 -2.046 1.00 55.43 O ATOM 1307 CB ASN A2093 4.778 19.377 -2.655 1.00 20.25 C ATOM 1308 CG ASN A2093 4.433 20.852 -2.448 1.00 51.02 C ATOM 1309 OD1 ASN A2093 4.603 21.411 -1.377 1.00 70.44 O ATOM 1310 ND2 ASN A2093 3.941 21.451 -3.529 1.00 2.12 N ATOM 0 H ASN A2093 5.754 17.066 -1.034 1.00 73.33 H new ATOM 0 HA ASN A2093 3.744 19.157 -0.779 1.00 61.11 H new ATOM 0 HB2 ASN A2093 5.854 19.267 -2.790 1.00 20.25 H new ATOM 0 HB3 ASN A2093 4.304 19.014 -3.567 1.00 20.25 H new ATOM 0 HD21 ASN A2093 3.681 22.437 -3.492 1.00 2.12 H new ATOM 0 HD22 ASN A2093 3.824 20.925 -4.395 1.00 2.12 H new ATOM 1317 N VAL A2094 2.250 17.717 -2.394 1.00 33.14 N ATOM 1318 CA VAL A2094 1.334 16.723 -2.923 1.00 65.50 C ATOM 1319 C VAL A2094 2.044 15.904 -4.003 1.00 25.23 C ATOM 1320 O VAL A2094 1.791 14.710 -4.147 1.00 65.44 O ATOM 1321 CB VAL A2094 0.060 17.403 -3.432 1.00 52.54 C ATOM 1322 CG1 VAL A2094 0.150 17.683 -4.934 1.00 1.30 C ATOM 1323 CG2 VAL A2094 -1.178 16.568 -3.103 1.00 12.33 C ATOM 0 H VAL A2094 1.875 18.665 -2.356 1.00 33.14 H new ATOM 0 HA VAL A2094 1.028 16.031 -2.138 1.00 65.50 H new ATOM 0 HB VAL A2094 -0.036 18.359 -2.918 1.00 52.54 H new ATOM 0 HG11 VAL A2094 -0.768 18.166 -5.270 1.00 1.30 H new ATOM 0 HG12 VAL A2094 0.998 18.338 -5.132 1.00 1.30 H new ATOM 0 HG13 VAL A2094 0.283 16.744 -5.472 1.00 1.30 H new ATOM 0 HG21 VAL A2094 -2.068 17.075 -3.476 1.00 12.33 H new ATOM 0 HG22 VAL A2094 -1.093 15.589 -3.575 1.00 12.33 H new ATOM 0 HG23 VAL A2094 -1.257 16.444 -2.023 1.00 12.33 H new ATOM 1333 N LYS A2095 2.921 16.580 -4.732 1.00 31.13 N ATOM 1334 CA LYS A2095 3.671 15.930 -5.792 1.00 44.21 C ATOM 1335 C LYS A2095 4.289 14.636 -5.256 1.00 40.32 C ATOM 1336 O LYS A2095 4.170 13.582 -5.877 1.00 31.22 O ATOM 1337 CB LYS A2095 4.693 16.896 -6.397 1.00 3.14 C ATOM 1338 CG LYS A2095 5.298 16.322 -7.681 1.00 75.44 C ATOM 1339 CD LYS A2095 6.125 17.380 -8.416 1.00 33.35 C ATOM 1340 CE LYS A2095 7.572 16.914 -8.595 1.00 51.20 C ATOM 1341 NZ LYS A2095 8.496 18.069 -8.556 1.00 40.34 N ATOM 0 H LYS A2095 3.128 17.571 -4.609 1.00 31.13 H new ATOM 0 HA LYS A2095 3.008 15.651 -6.611 1.00 44.21 H new ATOM 0 HB2 LYS A2095 4.213 17.851 -6.612 1.00 3.14 H new ATOM 0 HB3 LYS A2095 5.485 17.093 -5.674 1.00 3.14 H new ATOM 0 HG2 LYS A2095 5.928 15.466 -7.440 1.00 75.44 H new ATOM 0 HG3 LYS A2095 4.503 15.960 -8.332 1.00 75.44 H new ATOM 0 HD2 LYS A2095 5.681 17.582 -9.390 1.00 33.35 H new ATOM 0 HD3 LYS A2095 6.106 18.315 -7.857 1.00 33.35 H new ATOM 0 HE2 LYS A2095 7.832 16.206 -7.808 1.00 51.20 H new ATOM 0 HE3 LYS A2095 7.677 16.389 -9.544 1.00 51.20 H new ATOM 0 HZ1 LYS A2095 9.474 17.736 -8.679 1.00 40.34 H new ATOM 0 HZ2 LYS A2095 8.257 18.731 -9.322 1.00 40.34 H new ATOM 0 HZ3 LYS A2095 8.408 18.553 -7.640 1.00 40.34 H new ATOM 1354 N ASP A2096 4.940 14.762 -4.109 1.00 12.24 N ATOM 1355 CA ASP A2096 5.578 13.617 -3.481 1.00 63.24 C ATOM 1356 C ASP A2096 4.503 12.654 -2.975 1.00 2.32 C ATOM 1357 O ASP A2096 4.687 11.439 -3.010 1.00 43.04 O ATOM 1358 CB ASP A2096 6.429 14.047 -2.284 1.00 62.24 C ATOM 1359 CG ASP A2096 7.292 15.288 -2.518 1.00 51.44 C ATOM 1360 OD1 ASP A2096 7.320 16.212 -1.692 1.00 52.55 O ATOM 1361 OD2 ASP A2096 7.967 15.284 -3.617 1.00 44.03 O ATOM 0 H ASP A2096 5.040 15.639 -3.598 1.00 12.24 H new ATOM 0 HA ASP A2096 6.217 13.138 -4.223 1.00 63.24 H new ATOM 0 HB2 ASP A2096 5.769 14.236 -1.437 1.00 62.24 H new ATOM 0 HB3 ASP A2096 7.079 13.218 -2.003 1.00 62.24 H new ATOM 1367 N LEU A2097 3.403 13.233 -2.514 1.00 43.40 N ATOM 1368 CA LEU A2097 2.299 12.440 -2.002 1.00 30.02 C ATOM 1369 C LEU A2097 1.715 11.595 -3.135 1.00 1.11 C ATOM 1370 O LEU A2097 1.455 10.405 -2.956 1.00 63.23 O ATOM 1371 CB LEU A2097 1.271 13.338 -1.312 1.00 62.54 C ATOM 1372 CG LEU A2097 0.511 12.711 -0.140 1.00 72.01 C ATOM 1373 CD1 LEU A2097 -0.569 13.660 0.383 1.00 15.32 C ATOM 1374 CD2 LEU A2097 -0.065 11.347 -0.529 1.00 55.51 C ATOM 0 H LEU A2097 3.253 14.242 -2.485 1.00 43.40 H new ATOM 0 HA LEU A2097 2.649 11.748 -1.236 1.00 30.02 H new ATOM 0 HB2 LEU A2097 1.782 14.231 -0.952 1.00 62.54 H new ATOM 0 HB3 LEU A2097 0.545 13.664 -2.057 1.00 62.54 H new ATOM 0 HG LEU A2097 1.215 12.544 0.675 1.00 72.01 H new ATOM 0 HD11 LEU A2097 -1.094 13.191 1.215 1.00 15.32 H new ATOM 0 HD12 LEU A2097 -0.106 14.587 0.722 1.00 15.32 H new ATOM 0 HD13 LEU A2097 -1.278 13.880 -0.415 1.00 15.32 H new ATOM 0 HD21 LEU A2097 -0.600 10.922 0.320 1.00 55.51 H new ATOM 0 HD22 LEU A2097 -0.752 11.468 -1.367 1.00 55.51 H new ATOM 0 HD23 LEU A2097 0.746 10.679 -0.818 1.00 55.51 H new ATOM 1386 N THR A2098 1.525 12.241 -4.276 1.00 54.23 N ATOM 1387 CA THR A2098 0.976 11.563 -5.439 1.00 33.35 C ATOM 1388 C THR A2098 1.903 10.428 -5.881 1.00 0.24 C ATOM 1389 O THR A2098 1.444 9.324 -6.169 1.00 21.34 O ATOM 1390 CB THR A2098 0.736 12.611 -6.527 1.00 21.33 C ATOM 1391 OG1 THR A2098 -0.271 13.455 -5.976 1.00 62.25 O ATOM 1392 CG2 THR A2098 0.081 12.016 -7.776 1.00 32.24 C ATOM 0 H THR A2098 1.741 13.227 -4.420 1.00 54.23 H new ATOM 0 HA THR A2098 0.022 11.090 -5.208 1.00 33.35 H new ATOM 0 HB THR A2098 1.683 13.077 -6.800 1.00 21.33 H new ATOM 0 HG1 THR A2098 0.139 14.086 -5.348 1.00 62.25 H new ATOM 0 HG21 THR A2098 -0.068 12.801 -8.518 1.00 32.24 H new ATOM 0 HG22 THR A2098 0.726 11.242 -8.191 1.00 32.24 H new ATOM 0 HG23 THR A2098 -0.882 11.581 -7.510 1.00 32.24 H new ATOM 1400 N GLN A2099 3.190 10.741 -5.921 1.00 60.02 N ATOM 1401 CA GLN A2099 4.185 9.762 -6.324 1.00 3.12 C ATOM 1402 C GLN A2099 4.093 8.516 -5.440 1.00 14.41 C ATOM 1403 O GLN A2099 4.107 7.392 -5.940 1.00 73.12 O ATOM 1404 CB GLN A2099 5.592 10.360 -6.282 1.00 14.10 C ATOM 1405 CG GLN A2099 6.208 10.411 -7.682 1.00 11.30 C ATOM 1406 CD GLN A2099 7.099 11.645 -7.844 1.00 21.20 C ATOM 1407 OE1 GLN A2099 8.282 11.633 -7.545 1.00 32.11 O ATOM 1408 NE2 GLN A2099 6.467 12.708 -8.334 1.00 13.13 N ATOM 0 H GLN A2099 3.566 11.658 -5.681 1.00 60.02 H new ATOM 0 HA GLN A2099 3.981 9.469 -7.354 1.00 3.12 H new ATOM 0 HB2 GLN A2099 5.552 11.365 -5.862 1.00 14.10 H new ATOM 0 HB3 GLN A2099 6.225 9.764 -5.624 1.00 14.10 H new ATOM 0 HG2 GLN A2099 6.794 9.509 -7.859 1.00 11.30 H new ATOM 0 HG3 GLN A2099 5.416 10.429 -8.431 1.00 11.30 H new ATOM 0 HE21 GLN A2099 5.475 12.650 -8.564 1.00 13.13 H new ATOM 0 HE22 GLN A2099 6.975 13.581 -8.480 1.00 13.13 H new ATOM 1417 N ALA A2100 4.000 8.758 -4.141 1.00 74.44 N ATOM 1418 CA ALA A2100 3.904 7.670 -3.181 1.00 2.11 C ATOM 1419 C ALA A2100 2.617 6.885 -3.433 1.00 23.54 C ATOM 1420 O ALA A2100 2.606 5.657 -3.347 1.00 23.01 O ATOM 1421 CB ALA A2100 3.975 8.233 -1.760 1.00 41.54 C ATOM 0 H ALA A2100 3.989 9.691 -3.730 1.00 74.44 H new ATOM 0 HA ALA A2100 4.739 6.980 -3.300 1.00 2.11 H new ATOM 0 HB1 ALA A2100 3.903 7.417 -1.041 1.00 41.54 H new ATOM 0 HB2 ALA A2100 4.922 8.755 -1.622 1.00 41.54 H new ATOM 0 HB3 ALA A2100 3.151 8.929 -1.603 1.00 41.54 H new ATOM 1427 N TRP A2101 1.560 7.624 -3.739 1.00 12.23 N ATOM 1428 CA TRP A2101 0.269 7.013 -4.005 1.00 2.21 C ATOM 1429 C TRP A2101 0.398 6.169 -5.275 1.00 53.21 C ATOM 1430 O TRP A2101 -0.258 5.136 -5.407 1.00 51.32 O ATOM 1431 CB TRP A2101 -0.830 8.071 -4.099 1.00 43.32 C ATOM 1432 CG TRP A2101 -1.854 8.009 -2.964 1.00 74.10 C ATOM 1433 CD1 TRP A2101 -1.967 8.826 -1.908 1.00 12.44 C ATOM 1434 CD2 TRP A2101 -2.913 7.039 -2.813 1.00 42.14 C ATOM 1435 NE1 TRP A2101 -3.015 8.455 -1.091 1.00 74.34 N ATOM 1436 CE2 TRP A2101 -3.610 7.335 -1.658 1.00 1.01 C ATOM 1437 CE3 TRP A2101 -3.271 5.950 -3.627 1.00 73.52 C ATOM 1438 CZ2 TRP A2101 -4.706 6.587 -1.213 1.00 1.21 C ATOM 1439 CZ3 TRP A2101 -4.368 5.213 -3.167 1.00 32.30 C ATOM 1440 CH2 TRP A2101 -5.080 5.496 -2.007 1.00 40.41 C ATOM 0 H TRP A2101 1.572 8.642 -3.809 1.00 12.23 H new ATOM 0 HA TRP A2101 -0.026 6.361 -3.183 1.00 2.21 H new ATOM 0 HB2 TRP A2101 -0.369 9.059 -4.105 1.00 43.32 H new ATOM 0 HB3 TRP A2101 -1.350 7.956 -5.050 1.00 43.32 H new ATOM 0 HD1 TRP A2101 -1.319 9.669 -1.720 1.00 12.44 H new ATOM 0 HE1 TRP A2101 -3.301 8.918 -0.228 1.00 74.34 H new ATOM 0 HE3 TRP A2101 -2.741 5.702 -4.535 1.00 73.52 H new ATOM 0 HZ2 TRP A2101 -5.235 6.838 -0.306 1.00 1.21 H new ATOM 0 HZ3 TRP A2101 -4.684 4.364 -3.755 1.00 32.30 H new ATOM 0 HH2 TRP A2101 -5.917 4.877 -1.720 1.00 40.41 H new ATOM 1451 N ASP A2102 1.248 6.639 -6.176 1.00 72.34 N ATOM 1452 CA ASP A2102 1.471 5.941 -7.430 1.00 12.15 C ATOM 1453 C ASP A2102 2.119 4.585 -7.146 1.00 31.21 C ATOM 1454 O ASP A2102 1.651 3.555 -7.629 1.00 62.23 O ATOM 1455 CB ASP A2102 2.409 6.733 -8.341 1.00 21.00 C ATOM 1456 CG ASP A2102 1.765 7.284 -9.614 1.00 40.11 C ATOM 1457 OD1 ASP A2102 2.242 7.038 -10.731 1.00 52.41 O ATOM 1458 OD2 ASP A2102 0.710 8.004 -9.423 1.00 23.15 O ATOM 0 H ASP A2102 1.791 7.495 -6.062 1.00 72.34 H new ATOM 0 HA ASP A2102 0.507 5.819 -7.924 1.00 12.15 H new ATOM 0 HB2 ASP A2102 2.825 7.565 -7.773 1.00 21.00 H new ATOM 0 HB3 ASP A2102 3.244 6.091 -8.623 1.00 21.00 H new ATOM 1464 N LEU A2103 3.186 4.628 -6.363 1.00 14.54 N ATOM 1465 CA LEU A2103 3.903 3.414 -6.008 1.00 41.52 C ATOM 1466 C LEU A2103 2.926 2.409 -5.398 1.00 40.13 C ATOM 1467 O LEU A2103 2.850 1.264 -5.840 1.00 4.30 O ATOM 1468 CB LEU A2103 5.094 3.742 -5.105 1.00 33.44 C ATOM 1469 CG LEU A2103 6.343 4.276 -5.807 1.00 1.11 C ATOM 1470 CD1 LEU A2103 6.170 5.745 -6.194 1.00 5.20 C ATOM 1471 CD2 LEU A2103 7.592 4.051 -4.952 1.00 50.34 C ATOM 0 H LEU A2103 3.572 5.484 -5.964 1.00 14.54 H new ATOM 0 HA LEU A2103 4.325 2.946 -6.897 1.00 41.52 H new ATOM 0 HB2 LEU A2103 4.773 4.478 -4.368 1.00 33.44 H new ATOM 0 HB3 LEU A2103 5.367 2.840 -4.557 1.00 33.44 H new ATOM 0 HG LEU A2103 6.481 3.715 -6.731 1.00 1.11 H new ATOM 0 HD11 LEU A2103 7.073 6.099 -6.691 1.00 5.20 H new ATOM 0 HD12 LEU A2103 5.320 5.846 -6.869 1.00 5.20 H new ATOM 0 HD13 LEU A2103 5.993 6.339 -5.297 1.00 5.20 H new ATOM 0 HD21 LEU A2103 8.466 4.440 -5.475 1.00 50.34 H new ATOM 0 HD22 LEU A2103 7.479 4.569 -3.999 1.00 50.34 H new ATOM 0 HD23 LEU A2103 7.722 2.984 -4.772 1.00 50.34 H new ATOM 1483 N TYR A2104 2.202 2.874 -4.389 1.00 23.13 N ATOM 1484 CA TYR A2104 1.232 2.028 -3.713 1.00 40.02 C ATOM 1485 C TYR A2104 0.252 1.411 -4.714 1.00 14.03 C ATOM 1486 O TYR A2104 0.109 0.190 -4.775 1.00 74.41 O ATOM 1487 CB TYR A2104 0.462 2.948 -2.764 1.00 34.20 C ATOM 1488 CG TYR A2104 1.273 3.414 -1.554 1.00 73.11 C ATOM 1489 CD1 TYR A2104 2.188 2.563 -0.967 1.00 31.41 C ATOM 1490 CD2 TYR A2104 1.090 4.685 -1.048 1.00 43.52 C ATOM 1491 CE1 TYR A2104 2.952 3.002 0.172 1.00 0.10 C ATOM 1492 CE2 TYR A2104 1.855 5.124 0.091 1.00 65.13 C ATOM 1493 CZ TYR A2104 2.747 4.260 0.644 1.00 3.51 C ATOM 1494 OH TYR A2104 3.469 4.675 1.720 1.00 31.04 O ATOM 0 H TYR A2104 2.268 3.824 -4.024 1.00 23.13 H new ATOM 0 HA TYR A2104 1.731 1.211 -3.191 1.00 40.02 H new ATOM 0 HB2 TYR A2104 0.122 3.822 -3.319 1.00 34.20 H new ATOM 0 HB3 TYR A2104 -0.429 2.427 -2.413 1.00 34.20 H new ATOM 0 HD1 TYR A2104 2.331 1.568 -1.362 1.00 31.41 H new ATOM 0 HD2 TYR A2104 0.373 5.350 -1.506 1.00 43.52 H new ATOM 0 HE1 TYR A2104 3.671 2.347 0.640 1.00 0.10 H new ATOM 0 HE2 TYR A2104 1.723 6.116 0.496 1.00 65.13 H new ATOM 0 HH TYR A2104 3.219 5.595 1.947 1.00 31.04 H new ATOM 1504 N TYR A2105 -0.397 2.282 -5.472 1.00 23.23 N ATOM 1505 CA TYR A2105 -1.359 1.836 -6.465 1.00 23.21 C ATOM 1506 C TYR A2105 -0.776 0.716 -7.331 1.00 14.31 C ATOM 1507 O TYR A2105 -1.487 -0.211 -7.714 1.00 10.22 O ATOM 1508 CB TYR A2105 -1.645 3.052 -7.350 1.00 24.54 C ATOM 1509 CG TYR A2105 -3.073 3.101 -7.898 1.00 50.01 C ATOM 1510 CD1 TYR A2105 -3.724 1.931 -8.232 1.00 54.54 C ATOM 1511 CD2 TYR A2105 -3.709 4.316 -8.055 1.00 12.23 C ATOM 1512 CE1 TYR A2105 -5.068 1.979 -8.748 1.00 53.13 C ATOM 1513 CE2 TYR A2105 -5.053 4.363 -8.570 1.00 20.14 C ATOM 1514 CZ TYR A2105 -5.667 3.192 -8.891 1.00 30.15 C ATOM 1515 OH TYR A2105 -6.935 3.237 -9.378 1.00 71.52 O ATOM 0 H TYR A2105 -0.276 3.293 -5.419 1.00 23.23 H new ATOM 0 HA TYR A2105 -2.256 1.448 -5.983 1.00 23.21 H new ATOM 0 HB2 TYR A2105 -1.456 3.959 -6.776 1.00 24.54 H new ATOM 0 HB3 TYR A2105 -0.946 3.052 -8.186 1.00 24.54 H new ATOM 0 HD1 TYR A2105 -3.226 0.981 -8.107 1.00 54.54 H new ATOM 0 HD2 TYR A2105 -3.199 5.231 -7.792 1.00 12.23 H new ATOM 0 HE1 TYR A2105 -5.589 1.072 -9.016 1.00 53.13 H new ATOM 0 HE2 TYR A2105 -5.562 5.307 -8.699 1.00 20.14 H new ATOM 0 HH TYR A2105 -7.235 4.169 -9.425 1.00 71.52 H new ATOM 1525 N HIS A2106 0.512 0.841 -7.614 1.00 71.43 N ATOM 1526 CA HIS A2106 1.199 -0.149 -8.426 1.00 40.22 C ATOM 1527 C HIS A2106 1.191 -1.499 -7.706 1.00 0.03 C ATOM 1528 O HIS A2106 0.911 -2.531 -8.316 1.00 2.20 O ATOM 1529 CB HIS A2106 2.609 0.325 -8.782 1.00 23.10 C ATOM 1530 CG HIS A2106 2.734 0.882 -10.181 1.00 3.22 C ATOM 1531 ND1 HIS A2106 3.900 0.793 -10.922 1.00 15.54 N ATOM 1532 CD2 HIS A2106 1.829 1.533 -10.966 1.00 32.21 C ATOM 1533 CE1 HIS A2106 3.695 1.369 -12.097 1.00 51.53 C ATOM 1534 NE2 HIS A2106 2.412 1.828 -12.121 1.00 64.54 N ATOM 0 H HIS A2106 1.098 1.613 -7.296 1.00 71.43 H new ATOM 0 HA HIS A2106 0.672 -0.278 -9.371 1.00 40.22 H new ATOM 0 HB2 HIS A2106 2.915 1.090 -8.068 1.00 23.10 H new ATOM 0 HB3 HIS A2106 3.301 -0.510 -8.671 1.00 23.10 H new ATOM 0 HD2 HIS A2106 0.811 1.769 -10.694 1.00 32.21 H new ATOM 0 HE1 HIS A2106 4.417 1.459 -12.895 1.00 51.53 H new ATOM 0 HE2 HIS A2106 1.972 2.318 -12.900 1.00 64.54 H new ATOM 1543 N VAL A2107 1.501 -1.449 -6.419 1.00 73.14 N ATOM 1544 CA VAL A2107 1.533 -2.654 -5.609 1.00 63.50 C ATOM 1545 C VAL A2107 0.102 -3.083 -5.283 1.00 61.33 C ATOM 1546 O VAL A2107 -0.204 -4.275 -5.257 1.00 23.03 O ATOM 1547 CB VAL A2107 2.388 -2.423 -4.362 1.00 31.24 C ATOM 1548 CG1 VAL A2107 3.472 -1.378 -4.625 1.00 74.33 C ATOM 1549 CG2 VAL A2107 1.518 -2.024 -3.168 1.00 43.53 C ATOM 0 H VAL A2107 1.732 -0.592 -5.917 1.00 73.14 H new ATOM 0 HA VAL A2107 1.999 -3.472 -6.159 1.00 63.50 H new ATOM 0 HB VAL A2107 2.883 -3.362 -4.117 1.00 31.24 H new ATOM 0 HG11 VAL A2107 4.065 -1.233 -3.722 1.00 74.33 H new ATOM 0 HG12 VAL A2107 4.119 -1.720 -5.433 1.00 74.33 H new ATOM 0 HG13 VAL A2107 3.006 -0.434 -4.908 1.00 74.33 H new ATOM 0 HG21 VAL A2107 2.150 -1.866 -2.294 1.00 43.53 H new ATOM 0 HG22 VAL A2107 0.982 -1.104 -3.400 1.00 43.53 H new ATOM 0 HG23 VAL A2107 0.801 -2.818 -2.958 1.00 43.53 H new ATOM 1559 N PHE A2108 -0.740 -2.088 -5.042 1.00 5.22 N ATOM 1560 CA PHE A2108 -2.133 -2.348 -4.720 1.00 2.14 C ATOM 1561 C PHE A2108 -2.887 -2.886 -5.936 1.00 44.03 C ATOM 1562 O PHE A2108 -3.795 -3.704 -5.797 1.00 70.14 O ATOM 1563 CB PHE A2108 -2.751 -1.012 -4.301 1.00 23.25 C ATOM 1564 CG PHE A2108 -2.707 -0.751 -2.794 1.00 54.43 C ATOM 1565 CD1 PHE A2108 -3.698 -1.223 -1.992 1.00 5.31 C ATOM 1566 CD2 PHE A2108 -1.675 -0.047 -2.257 1.00 14.12 C ATOM 1567 CE1 PHE A2108 -3.655 -0.980 -0.594 1.00 31.21 C ATOM 1568 CE2 PHE A2108 -1.632 0.195 -0.859 1.00 41.34 C ATOM 1569 CZ PHE A2108 -2.624 -0.276 -0.056 1.00 31.22 C ATOM 0 H PHE A2108 -0.484 -1.101 -5.063 1.00 5.22 H new ATOM 0 HA PHE A2108 -2.199 -3.094 -3.928 1.00 2.14 H new ATOM 0 HB2 PHE A2108 -2.229 -0.205 -4.814 1.00 23.25 H new ATOM 0 HB3 PHE A2108 -3.788 -0.983 -4.634 1.00 23.25 H new ATOM 0 HD1 PHE A2108 -4.518 -1.783 -2.418 1.00 5.31 H new ATOM 0 HD2 PHE A2108 -0.888 0.328 -2.894 1.00 14.12 H new ATOM 0 HE1 PHE A2108 -4.442 -1.355 0.043 1.00 31.21 H new ATOM 0 HE2 PHE A2108 -0.812 0.753 -0.433 1.00 41.34 H new ATOM 0 HZ PHE A2108 -2.592 -0.091 1.008 1.00 31.22 H new ATOM 1579 N ARG A2109 -2.482 -2.405 -7.104 1.00 64.42 N ATOM 1580 CA ARG A2109 -3.110 -2.827 -8.344 1.00 65.32 C ATOM 1581 C ARG A2109 -2.530 -4.167 -8.803 1.00 3.33 C ATOM 1582 O ARG A2109 -3.209 -4.946 -9.471 1.00 2.54 O ATOM 1583 CB ARG A2109 -2.905 -1.787 -9.447 1.00 44.21 C ATOM 1584 CG ARG A2109 -1.483 -1.857 -10.009 1.00 43.04 C ATOM 1585 CD ARG A2109 -1.314 -0.897 -11.189 1.00 65.02 C ATOM 1586 NE ARG A2109 -0.921 -1.650 -12.402 1.00 13.33 N ATOM 1587 CZ ARG A2109 0.353 -1.972 -12.712 1.00 41.54 C ATOM 1588 NH1 ARG A2109 1.369 -1.607 -11.902 1.00 2.34 N ATOM 1589 NH2 ARG A2109 0.589 -2.649 -13.822 1.00 51.43 N ATOM 0 H ARG A2109 -1.727 -1.728 -7.216 1.00 64.42 H new ATOM 0 HA ARG A2109 -4.178 -2.934 -8.155 1.00 65.32 H new ATOM 0 HB2 ARG A2109 -3.625 -1.954 -10.248 1.00 44.21 H new ATOM 0 HB3 ARG A2109 -3.095 -0.789 -9.051 1.00 44.21 H new ATOM 0 HG2 ARG A2109 -0.766 -1.608 -9.227 1.00 43.04 H new ATOM 0 HG3 ARG A2109 -1.264 -2.876 -10.329 1.00 43.04 H new ATOM 0 HD2 ARG A2109 -2.246 -0.362 -11.369 1.00 65.02 H new ATOM 0 HD3 ARG A2109 -0.557 -0.149 -10.954 1.00 65.02 H new ATOM 0 HE ARG A2109 -1.658 -1.944 -13.043 1.00 13.33 H new ATOM 0 HH11 ARG A2109 1.177 -1.084 -11.048 1.00 2.34 H new ATOM 0 HH12 ARG A2109 2.328 -1.855 -12.144 1.00 2.34 H new ATOM 0 HH21 ARG A2109 -0.185 -2.920 -14.429 1.00 51.43 H new ATOM 0 HH22 ARG A2109 1.545 -2.901 -14.072 1.00 51.43 H new ATOM 1601 N ARG A2110 -1.279 -4.394 -8.426 1.00 50.12 N ATOM 1602 CA ARG A2110 -0.600 -5.625 -8.790 1.00 62.42 C ATOM 1603 C ARG A2110 -1.211 -6.811 -8.039 1.00 63.25 C ATOM 1604 O ARG A2110 -1.589 -7.809 -8.649 1.00 72.20 O ATOM 1605 CB ARG A2110 0.894 -5.545 -8.473 1.00 20.31 C ATOM 1606 CG ARG A2110 1.649 -4.797 -9.574 1.00 75.21 C ATOM 1607 CD ARG A2110 2.081 -5.753 -10.689 1.00 33.03 C ATOM 1608 NE ARG A2110 3.538 -5.633 -10.921 1.00 32.24 N ATOM 1609 CZ ARG A2110 4.256 -6.490 -11.675 1.00 3.13 C ATOM 1610 NH1 ARG A2110 3.659 -7.539 -12.278 1.00 63.02 N ATOM 1611 NH2 ARG A2110 5.553 -6.287 -11.816 1.00 22.23 N ATOM 0 H ARG A2110 -0.719 -3.746 -7.872 1.00 50.12 H new ATOM 0 HA ARG A2110 -0.725 -5.767 -9.864 1.00 62.42 H new ATOM 0 HB2 ARG A2110 1.040 -5.039 -7.519 1.00 20.31 H new ATOM 0 HB3 ARG A2110 1.301 -6.550 -8.367 1.00 20.31 H new ATOM 0 HG2 ARG A2110 1.014 -4.013 -9.988 1.00 75.21 H new ATOM 0 HG3 ARG A2110 2.526 -4.307 -9.150 1.00 75.21 H new ATOM 0 HD2 ARG A2110 1.831 -6.779 -10.418 1.00 33.03 H new ATOM 0 HD3 ARG A2110 1.538 -5.524 -11.606 1.00 33.03 H new ATOM 0 HE ARG A2110 4.029 -4.854 -10.483 1.00 32.24 H new ATOM 0 HH11 ARG A2110 2.656 -7.689 -12.165 1.00 63.02 H new ATOM 0 HH12 ARG A2110 4.210 -8.182 -12.846 1.00 63.02 H new ATOM 0 HH21 ARG A2110 5.997 -5.491 -11.358 1.00 22.23 H new ATOM 0 HH22 ARG A2110 6.111 -6.926 -12.383 1.00 22.23 H new ATOM 1623 N ILE A2111 -1.288 -6.661 -6.725 1.00 74.30 N ATOM 1624 CA ILE A2111 -1.847 -7.706 -5.883 1.00 43.43 C ATOM 1625 C ILE A2111 -3.100 -8.275 -6.550 1.00 61.34 C ATOM 1626 O ILE A2111 -3.393 -9.462 -6.417 1.00 63.30 O ATOM 1627 CB ILE A2111 -2.088 -7.182 -4.467 1.00 10.55 C ATOM 1628 CG1 ILE A2111 -2.796 -5.826 -4.496 1.00 73.44 C ATOM 1629 CG2 ILE A2111 -0.781 -7.129 -3.673 1.00 43.02 C ATOM 1630 CD1 ILE A2111 -2.816 -5.187 -3.106 1.00 24.34 C ATOM 0 H ILE A2111 -0.973 -5.831 -6.222 1.00 74.30 H new ATOM 0 HA ILE A2111 -1.140 -8.529 -5.777 1.00 43.43 H new ATOM 0 HB ILE A2111 -2.750 -7.879 -3.953 1.00 10.55 H new ATOM 0 HG12 ILE A2111 -2.290 -5.163 -5.198 1.00 73.44 H new ATOM 0 HG13 ILE A2111 -3.817 -5.953 -4.857 1.00 73.44 H new ATOM 0 HG21 ILE A2111 -0.980 -6.753 -2.669 1.00 43.02 H new ATOM 0 HG22 ILE A2111 -0.354 -8.130 -3.607 1.00 43.02 H new ATOM 0 HG23 ILE A2111 -0.076 -6.466 -4.176 1.00 43.02 H new ATOM 0 HD11 ILE A2111 -3.325 -4.224 -3.155 1.00 24.34 H new ATOM 0 HD12 ILE A2111 -3.344 -5.841 -2.412 1.00 24.34 H new ATOM 0 HD13 ILE A2111 -1.793 -5.039 -2.759 1.00 24.34 H new ATOM 1642 N SER A2112 -3.808 -7.401 -7.252 1.00 30.35 N ATOM 1643 CA SER A2112 -5.023 -7.802 -7.939 1.00 22.23 C ATOM 1644 C SER A2112 -4.680 -8.386 -9.312 1.00 74.42 C ATOM 1645 O SER A2112 -5.041 -9.522 -9.615 1.00 11.22 O ATOM 1646 CB SER A2112 -5.987 -6.624 -8.088 1.00 52.23 C ATOM 1647 OG SER A2112 -5.503 -5.653 -9.011 1.00 10.41 O ATOM 0 H SER A2112 -3.563 -6.417 -7.359 1.00 30.35 H new ATOM 0 HA SER A2112 -5.518 -8.566 -7.340 1.00 22.23 H new ATOM 0 HB2 SER A2112 -6.958 -6.990 -8.422 1.00 52.23 H new ATOM 0 HB3 SER A2112 -6.140 -6.156 -7.116 1.00 52.23 H new ATOM 0 HG SER A2112 -4.579 -5.417 -8.784 1.00 10.41 H new ATOM 1653 N LYS A2113 -3.990 -7.582 -10.105 1.00 53.54 N ATOM 1654 CA LYS A2113 -3.594 -8.001 -11.438 1.00 33.43 C ATOM 1655 C LYS A2113 -3.158 -9.468 -11.396 1.00 22.31 C ATOM 1656 O LYS A2113 -2.264 -9.833 -10.634 1.00 73.50 O ATOM 1657 CB LYS A2113 -2.529 -7.060 -12.005 1.00 73.43 C ATOM 1658 CG LYS A2113 -3.142 -6.084 -13.012 1.00 12.11 C ATOM 1659 CD LYS A2113 -2.250 -5.939 -14.246 1.00 13.14 C ATOM 1660 CE LYS A2113 -1.213 -4.831 -14.046 1.00 0.24 C ATOM 1661 NZ LYS A2113 0.127 -5.413 -13.806 1.00 71.34 N ATOM 0 H LYS A2113 -3.694 -6.640 -9.850 1.00 53.54 H new ATOM 0 HA LYS A2113 -4.439 -7.936 -12.124 1.00 33.43 H new ATOM 0 HB2 LYS A2113 -2.060 -6.504 -11.193 1.00 73.43 H new ATOM 0 HB3 LYS A2113 -1.744 -7.642 -12.488 1.00 73.43 H new ATOM 0 HG2 LYS A2113 -4.129 -6.437 -13.311 1.00 12.11 H new ATOM 0 HG3 LYS A2113 -3.281 -5.110 -12.542 1.00 12.11 H new ATOM 0 HD2 LYS A2113 -1.744 -6.883 -14.447 1.00 13.14 H new ATOM 0 HD3 LYS A2113 -2.864 -5.715 -15.118 1.00 13.14 H new ATOM 0 HE2 LYS A2113 -1.185 -4.188 -14.926 1.00 0.24 H new ATOM 0 HE3 LYS A2113 -1.500 -4.204 -13.202 1.00 0.24 H new ATOM 0 HZ1 LYS A2113 0.674 -4.781 -13.187 1.00 71.34 H new ATOM 0 HZ2 LYS A2113 0.025 -6.342 -13.350 1.00 71.34 H new ATOM 0 HZ3 LYS A2113 0.624 -5.525 -14.712 1.00 71.34 H new ATOM 1674 N GLN A2114 -3.810 -10.270 -12.225 1.00 72.33 N ATOM 1675 CA GLN A2114 -3.501 -11.689 -12.293 1.00 73.42 C ATOM 1676 C GLN A2114 -1.988 -11.898 -12.377 1.00 5.51 C ATOM 1677 O GLN A2114 -1.437 -12.757 -11.689 1.00 65.24 O ATOM 1678 CB GLN A2114 -4.212 -12.349 -13.475 1.00 50.30 C ATOM 1679 CG GLN A2114 -5.716 -12.463 -13.215 1.00 71.44 C ATOM 1680 CD GLN A2114 -6.281 -13.747 -13.825 1.00 42.25 C ATOM 1681 OE1 GLN A2114 -6.493 -13.856 -15.023 1.00 33.11 O ATOM 1682 NE2 GLN A2114 -6.514 -14.710 -12.937 1.00 63.41 N ATOM 0 H GLN A2114 -4.551 -9.964 -12.856 1.00 72.33 H new ATOM 0 HA GLN A2114 -3.864 -12.165 -11.382 1.00 73.42 H new ATOM 0 HB2 GLN A2114 -4.039 -11.766 -14.380 1.00 50.30 H new ATOM 0 HB3 GLN A2114 -3.793 -13.340 -13.649 1.00 50.30 H new ATOM 0 HG2 GLN A2114 -5.905 -12.452 -12.142 1.00 71.44 H new ATOM 0 HG3 GLN A2114 -6.228 -11.599 -13.638 1.00 71.44 H new ATOM 0 HE21 GLN A2114 -6.314 -14.552 -11.949 1.00 63.41 H new ATOM 0 HE22 GLN A2114 -6.893 -15.606 -13.244 1.00 63.41 H new TER 1691 GLN A2114