USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=22 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: A2085 CYS SG : rot 60:sc= 0.48 USER MOD Set 1.2: A2104 TYR OH : rot 162:sc= 0.146 USER MOD Set 2.1: A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A2095 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Set 3.1: A2026 MET CE :methyl 171:sc= -6.15! (180deg=-1.21) USER MOD Set 3.2: A2057 MET CE :methyl 144:sc= -1.82 (180deg=-1.99) USER MOD Set 3.3: A2058 MET CE :methyl -178:sc= -15.7! (180deg=-8.27!) USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-3.3!) USER MOD Single : A2028 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-0.7) USER MOD Single : A2035 SER OG : rot 42:sc= 0.877 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -2.04! C(o=-2!,f=-2.6!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -135:sc= -9.38! (180deg=-17!) USER MOD Single : A2055 HIS : no HE2:sc= -8.13! C(o=-8.1!,f=-8.9!) USER MOD Single : A2063 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.3!) 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 75:sc= 0.19 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2072 GLN : amide:sc= -0.0417 K(o=-0.042,f=-2.4!) USER MOD Single : A2074 TYR OH : rot 150:sc= -0.455 USER MOD Single : A2079 MET CE :methyl -141:sc= -0.499 (180deg=-2.01!) USER MOD Single : A2082 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.2!) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -113:sc= -7.01! (180deg=-12.3!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 64:sc= 0.171 USER MOD Single : A2093 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2098 THR OG1 : rot 81:sc= 0.0416 USER MOD Single : A2099 GLN : amide:sc= -0.113 K(o=-0.11,f=-2!) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2112 SER OG : rot 58:sc= 1.29 USER MOD Single : A2113 LYS NZ :NH3+ -156:sc= -4.95! (180deg=-5.66!) USER MOD Single : A2114 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 0.473 -18.792 -12.020 1.00 23.31 N ATOM 2 CA MET A2014 -0.827 -19.411 -12.215 1.00 64.02 C ATOM 3 C MET A2014 -1.275 -20.153 -10.956 1.00 73.52 C ATOM 4 O MET A2014 -1.527 -21.356 -10.997 1.00 0.02 O ATOM 5 CB MET A2014 -0.757 -20.390 -13.389 1.00 4.24 C ATOM 6 CG MET A2014 0.358 -21.418 -13.177 1.00 43.34 C ATOM 7 SD MET A2014 0.517 -22.453 -14.622 1.00 63.41 S ATOM 8 CE MET A2014 2.034 -23.306 -14.229 1.00 24.43 C ATOM 0 HA MET A2014 -1.553 -18.627 -12.429 1.00 64.02 H new ATOM 0 HB2 MET A2014 -1.713 -20.902 -13.498 1.00 4.24 H new ATOM 0 HB3 MET A2014 -0.581 -19.842 -14.315 1.00 4.24 H new ATOM 0 HG2 MET A2014 1.301 -20.908 -12.979 1.00 43.34 H new ATOM 0 HG3 MET A2014 0.137 -22.031 -12.303 1.00 43.34 H new ATOM 0 HE1 MET A2014 2.281 -23.998 -15.034 1.00 24.43 H new ATOM 0 HE2 MET A2014 2.840 -22.581 -14.113 1.00 24.43 H new ATOM 0 HE3 MET A2014 1.909 -23.861 -13.299 1.00 24.43 H new ATOM 18 N GLU A2015 -1.361 -19.406 -9.865 1.00 61.35 N ATOM 19 CA GLU A2015 -1.774 -19.978 -8.595 1.00 62.32 C ATOM 20 C GLU A2015 -3.214 -20.488 -8.687 1.00 1.33 C ATOM 21 O GLU A2015 -3.678 -21.210 -7.805 1.00 53.23 O ATOM 22 CB GLU A2015 -1.624 -18.964 -7.462 1.00 74.41 C ATOM 23 CG GLU A2015 -1.139 -19.641 -6.179 1.00 0.10 C ATOM 24 CD GLU A2015 -1.954 -19.176 -4.971 1.00 33.14 C ATOM 25 OE1 GLU A2015 -3.093 -18.714 -5.131 1.00 42.45 O ATOM 26 OE2 GLU A2015 -1.364 -19.310 -3.831 1.00 53.10 O ATOM 0 H GLU A2015 -1.151 -18.408 -9.835 1.00 61.35 H new ATOM 0 HA GLU A2015 -1.123 -20.823 -8.370 1.00 62.32 H new ATOM 0 HB2 GLU A2015 -0.918 -18.187 -7.756 1.00 74.41 H new ATOM 0 HB3 GLU A2015 -2.580 -18.474 -7.279 1.00 74.41 H new ATOM 0 HG2 GLU A2015 -1.220 -20.723 -6.282 1.00 0.10 H new ATOM 0 HG3 GLU A2015 -0.085 -19.414 -6.020 1.00 0.10 H new ATOM 34 N LEU A2016 -3.882 -20.094 -9.762 1.00 5.43 N ATOM 35 CA LEU A2016 -5.259 -20.503 -9.981 1.00 1.43 C ATOM 36 C LEU A2016 -6.184 -19.623 -9.139 1.00 71.54 C ATOM 37 O LEU A2016 -5.850 -18.481 -8.828 1.00 31.31 O ATOM 38 CB LEU A2016 -5.422 -22.000 -9.713 1.00 1.12 C ATOM 39 CG LEU A2016 -6.125 -22.803 -10.809 1.00 24.55 C ATOM 40 CD1 LEU A2016 -5.339 -24.071 -11.149 1.00 24.25 C ATOM 41 CD2 LEU A2016 -7.571 -23.113 -10.419 1.00 20.45 C ATOM 0 H LEU A2016 -3.494 -19.495 -10.491 1.00 5.43 H new ATOM 0 HA LEU A2016 -5.540 -20.358 -11.024 1.00 1.43 H new ATOM 0 HB2 LEU A2016 -4.434 -22.430 -9.552 1.00 1.12 H new ATOM 0 HB3 LEU A2016 -5.979 -22.125 -8.784 1.00 1.12 H new ATOM 0 HG LEU A2016 -6.158 -22.193 -11.712 1.00 24.55 H new ATOM 0 HD11 LEU A2016 -5.860 -24.624 -11.931 1.00 24.25 H new ATOM 0 HD12 LEU A2016 -4.343 -23.799 -11.499 1.00 24.25 H new ATOM 0 HD13 LEU A2016 -5.253 -24.695 -10.260 1.00 24.25 H new ATOM 0 HD21 LEU A2016 -8.048 -23.684 -11.215 1.00 20.45 H new ATOM 0 HD22 LEU A2016 -7.583 -23.695 -9.498 1.00 20.45 H new ATOM 0 HD23 LEU A2016 -8.114 -22.181 -10.266 1.00 20.45 H new ATOM 53 N ILE A2017 -7.333 -20.188 -8.796 1.00 35.43 N ATOM 54 CA ILE A2017 -8.311 -19.470 -7.996 1.00 3.23 C ATOM 55 C ILE A2017 -7.586 -18.643 -6.932 1.00 42.41 C ATOM 56 O ILE A2017 -6.477 -18.984 -6.526 1.00 61.13 O ATOM 57 CB ILE A2017 -9.348 -20.437 -7.421 1.00 73.24 C ATOM 58 CG1 ILE A2017 -10.759 -19.855 -7.527 1.00 64.34 C ATOM 59 CG2 ILE A2017 -8.996 -20.829 -5.985 1.00 15.10 C ATOM 60 CD1 ILE A2017 -11.154 -19.135 -6.237 1.00 15.12 C ATOM 0 H ILE A2017 -7.608 -21.135 -9.058 1.00 35.43 H new ATOM 0 HA ILE A2017 -8.871 -18.771 -8.617 1.00 3.23 H new ATOM 0 HB ILE A2017 -9.331 -21.350 -8.017 1.00 73.24 H new ATOM 0 HG12 ILE A2017 -10.807 -19.160 -8.365 1.00 64.34 H new ATOM 0 HG13 ILE A2017 -11.471 -20.654 -7.734 1.00 64.34 H new ATOM 0 HG21 ILE A2017 -9.749 -21.517 -5.601 1.00 15.10 H new ATOM 0 HG22 ILE A2017 -8.020 -21.314 -5.969 1.00 15.10 H new ATOM 0 HG23 ILE A2017 -8.968 -19.936 -5.361 1.00 15.10 H new ATOM 0 HD11 ILE A2017 -12.161 -18.731 -6.340 1.00 15.12 H new ATOM 0 HD12 ILE A2017 -11.128 -19.839 -5.405 1.00 15.12 H new ATOM 0 HD13 ILE A2017 -10.454 -18.321 -6.046 1.00 15.12 H new ATOM 72 N ARG A2018 -8.243 -17.572 -6.512 1.00 44.51 N ATOM 73 CA ARG A2018 -7.675 -16.692 -5.504 1.00 24.22 C ATOM 74 C ARG A2018 -8.448 -16.821 -4.191 1.00 2.25 C ATOM 75 O ARG A2018 -9.184 -17.787 -3.992 1.00 10.11 O ATOM 76 CB ARG A2018 -7.705 -15.234 -5.964 1.00 24.20 C ATOM 77 CG ARG A2018 -6.295 -14.643 -6.006 1.00 13.03 C ATOM 78 CD ARG A2018 -6.271 -13.239 -5.398 1.00 51.42 C ATOM 79 NE ARG A2018 -7.181 -12.347 -6.150 1.00 62.20 N ATOM 80 CZ ARG A2018 -8.433 -12.035 -5.754 1.00 64.41 C ATOM 81 NH1 ARG A2018 -8.934 -12.541 -4.608 1.00 71.41 N ATOM 82 NH2 ARG A2018 -9.160 -11.226 -6.505 1.00 14.25 N ATOM 0 H ARG A2018 -9.164 -17.293 -6.851 1.00 44.51 H new ATOM 0 HA ARG A2018 -6.638 -16.991 -5.350 1.00 24.22 H new ATOM 0 HB2 ARG A2018 -8.159 -15.170 -6.953 1.00 24.20 H new ATOM 0 HB3 ARG A2018 -8.329 -14.649 -5.288 1.00 24.20 H new ATOM 0 HG2 ARG A2018 -5.609 -15.291 -5.461 1.00 13.03 H new ATOM 0 HG3 ARG A2018 -5.944 -14.603 -7.037 1.00 13.03 H new ATOM 0 HD2 ARG A2018 -6.573 -13.282 -4.351 1.00 51.42 H new ATOM 0 HD3 ARG A2018 -5.257 -12.841 -5.421 1.00 51.42 H new ATOM 0 HE ARG A2018 -6.841 -11.943 -7.022 1.00 62.20 H new ATOM 0 HH11 ARG A2018 -8.366 -13.164 -4.034 1.00 71.41 H new ATOM 0 HH12 ARG A2018 -9.881 -12.300 -4.315 1.00 71.41 H new ATOM 0 HH21 ARG A2018 -8.773 -10.848 -7.370 1.00 14.25 H new ATOM 0 HH22 ARG A2018 -10.108 -10.980 -6.220 1.00 14.25 H new ATOM 94 N VAL A2019 -8.256 -15.836 -3.328 1.00 43.40 N ATOM 95 CA VAL A2019 -8.926 -15.826 -2.040 1.00 72.41 C ATOM 96 C VAL A2019 -9.405 -14.408 -1.727 1.00 53.51 C ATOM 97 O VAL A2019 -8.625 -13.458 -1.789 1.00 2.40 O ATOM 98 CB VAL A2019 -7.999 -16.394 -0.962 1.00 62.31 C ATOM 99 CG1 VAL A2019 -8.304 -15.780 0.405 1.00 61.12 C ATOM 100 CG2 VAL A2019 -8.092 -17.921 -0.909 1.00 5.30 C ATOM 0 H VAL A2019 -7.644 -15.037 -3.496 1.00 43.40 H new ATOM 0 HA VAL A2019 -9.807 -16.468 -2.065 1.00 72.41 H new ATOM 0 HB VAL A2019 -6.976 -16.128 -1.227 1.00 62.31 H new ATOM 0 HG11 VAL A2019 -7.631 -16.201 1.152 1.00 61.12 H new ATOM 0 HG12 VAL A2019 -8.164 -14.700 0.358 1.00 61.12 H new ATOM 0 HG13 VAL A2019 -9.335 -16.000 0.681 1.00 61.12 H new ATOM 0 HG21 VAL A2019 -7.424 -18.300 -0.135 1.00 5.30 H new ATOM 0 HG22 VAL A2019 -9.116 -18.215 -0.680 1.00 5.30 H new ATOM 0 HG23 VAL A2019 -7.802 -18.337 -1.874 1.00 5.30 H new ATOM 110 N PRO A2020 -10.718 -14.304 -1.391 1.00 62.12 N ATOM 111 CA PRO A2020 -11.309 -13.015 -1.070 1.00 23.41 C ATOM 112 C PRO A2020 -10.881 -12.548 0.322 1.00 64.13 C ATOM 113 O PRO A2020 -10.841 -11.349 0.593 1.00 62.04 O ATOM 114 CB PRO A2020 -12.809 -13.230 -1.188 1.00 4.44 C ATOM 115 CG PRO A2020 -13.022 -14.734 -1.115 1.00 30.22 C ATOM 116 CD PRO A2020 -11.672 -15.406 -1.308 1.00 63.45 C ATOM 0 HA PRO A2020 -10.979 -12.222 -1.741 1.00 23.41 H new ATOM 0 HB2 PRO A2020 -13.341 -12.721 -0.384 1.00 4.44 H new ATOM 0 HB3 PRO A2020 -13.189 -12.827 -2.127 1.00 4.44 H new ATOM 0 HG2 PRO A2020 -13.453 -15.012 -0.153 1.00 30.22 H new ATOM 0 HG3 PRO A2020 -13.723 -15.058 -1.884 1.00 30.22 H new ATOM 0 HD2 PRO A2020 -11.438 -16.071 -0.476 1.00 63.45 H new ATOM 0 HD3 PRO A2020 -11.657 -16.012 -2.214 1.00 63.45 H new ATOM 124 N ILE A2021 -10.572 -13.518 1.169 1.00 2.44 N ATOM 125 CA ILE A2021 -10.146 -13.221 2.526 1.00 71.42 C ATOM 126 C ILE A2021 -8.667 -13.572 2.681 1.00 51.35 C ATOM 127 O ILE A2021 -8.313 -14.742 2.823 1.00 2.43 O ATOM 128 CB ILE A2021 -11.056 -13.925 3.538 1.00 3.21 C ATOM 129 CG1 ILE A2021 -10.886 -15.443 3.461 1.00 41.04 C ATOM 130 CG2 ILE A2021 -12.512 -13.499 3.354 1.00 75.22 C ATOM 131 CD1 ILE A2021 -10.100 -15.968 4.664 1.00 32.33 C ATOM 0 H ILE A2021 -10.608 -14.512 0.942 1.00 2.44 H new ATOM 0 HA ILE A2021 -10.242 -12.155 2.731 1.00 71.42 H new ATOM 0 HB ILE A2021 -10.757 -13.618 4.540 1.00 3.21 H new ATOM 0 HG12 ILE A2021 -11.865 -15.921 3.425 1.00 41.04 H new ATOM 0 HG13 ILE A2021 -10.368 -15.708 2.540 1.00 41.04 H new ATOM 0 HG21 ILE A2021 -13.137 -14.013 4.084 1.00 75.22 H new ATOM 0 HG22 ILE A2021 -12.597 -12.422 3.498 1.00 75.22 H new ATOM 0 HG23 ILE A2021 -12.842 -13.758 2.348 1.00 75.22 H new ATOM 0 HD11 ILE A2021 -9.993 -17.050 4.585 1.00 32.33 H new ATOM 0 HD12 ILE A2021 -9.113 -15.506 4.683 1.00 32.33 H new ATOM 0 HD13 ILE A2021 -10.633 -15.722 5.582 1.00 32.33 H new ATOM 143 N LEU A2022 -7.839 -12.536 2.650 1.00 2.13 N ATOM 144 CA LEU A2022 -6.404 -12.720 2.785 1.00 23.42 C ATOM 145 C LEU A2022 -5.732 -11.356 2.937 1.00 40.23 C ATOM 146 O LEU A2022 -6.383 -10.374 3.295 1.00 62.31 O ATOM 147 CB LEU A2022 -5.858 -13.549 1.621 1.00 45.25 C ATOM 148 CG LEU A2022 -5.908 -12.886 0.243 1.00 42.12 C ATOM 149 CD1 LEU A2022 -5.712 -13.916 -0.869 1.00 44.41 C ATOM 150 CD2 LEU A2022 -7.202 -12.089 0.065 1.00 34.40 C ATOM 0 H LEU A2022 -8.135 -11.567 2.533 1.00 2.13 H new ATOM 0 HA LEU A2022 -6.176 -13.290 3.686 1.00 23.42 H new ATOM 0 HB2 LEU A2022 -4.822 -13.808 1.840 1.00 45.25 H new ATOM 0 HB3 LEU A2022 -6.417 -14.484 1.573 1.00 45.25 H new ATOM 0 HG LEU A2022 -5.082 -12.178 0.175 1.00 42.12 H new ATOM 0 HD11 LEU A2022 -5.752 -13.418 -1.838 1.00 44.41 H new ATOM 0 HD12 LEU A2022 -4.743 -14.400 -0.750 1.00 44.41 H new ATOM 0 HD13 LEU A2022 -6.501 -14.666 -0.814 1.00 44.41 H new ATOM 0 HD21 LEU A2022 -7.212 -11.628 -0.923 1.00 34.40 H new ATOM 0 HD22 LEU A2022 -8.057 -12.758 0.162 1.00 34.40 H new ATOM 0 HD23 LEU A2022 -7.259 -11.313 0.828 1.00 34.40 H new ATOM 162 N TRP A2023 -4.437 -11.335 2.657 1.00 11.43 N ATOM 163 CA TRP A2023 -3.669 -10.106 2.758 1.00 73.22 C ATOM 164 C TRP A2023 -4.176 -9.142 1.683 1.00 24.04 C ATOM 165 O TRP A2023 -4.500 -7.991 1.977 1.00 2.14 O ATOM 166 CB TRP A2023 -2.168 -10.385 2.649 1.00 33.44 C ATOM 167 CG TRP A2023 -1.489 -10.668 3.993 1.00 64.32 C ATOM 168 CD1 TRP A2023 -2.067 -10.998 5.155 1.00 21.12 C ATOM 169 CD2 TRP A2023 -0.072 -10.633 4.262 1.00 33.31 C ATOM 170 NE1 TRP A2023 -1.130 -11.178 6.152 1.00 12.01 N ATOM 171 CE2 TRP A2023 0.122 -10.948 5.591 1.00 35.23 C ATOM 172 CE3 TRP A2023 1.010 -10.343 3.414 1.00 73.30 C ATOM 173 CZ2 TRP A2023 1.385 -11.005 6.191 1.00 53.14 C ATOM 174 CZ3 TRP A2023 2.267 -10.403 4.025 1.00 13.30 C ATOM 175 CH2 TRP A2023 2.478 -10.719 5.363 1.00 45.55 C ATOM 0 H TRP A2023 -3.900 -12.150 2.360 1.00 11.43 H new ATOM 0 HA TRP A2023 -3.809 -9.644 3.735 1.00 73.22 H new ATOM 0 HB2 TRP A2023 -2.014 -11.239 1.989 1.00 33.44 H new ATOM 0 HB3 TRP A2023 -1.682 -9.529 2.181 1.00 33.44 H new ATOM 0 HD1 TRP A2023 -3.132 -11.109 5.294 1.00 21.12 H new ATOM 0 HE1 TRP A2023 -1.320 -11.433 7.121 1.00 12.01 H new ATOM 0 HE3 TRP A2023 0.881 -10.093 2.371 1.00 73.30 H new ATOM 0 HZ2 TRP A2023 1.510 -11.255 7.234 1.00 53.14 H new ATOM 0 HZ3 TRP A2023 3.133 -10.189 3.416 1.00 13.30 H new ATOM 0 HH2 TRP A2023 3.481 -10.744 5.762 1.00 45.55 H new ATOM 186 N HIS A2024 -4.228 -9.646 0.459 1.00 63.34 N ATOM 187 CA HIS A2024 -4.690 -8.843 -0.662 1.00 0.11 C ATOM 188 C HIS A2024 -5.976 -8.111 -0.272 1.00 63.31 C ATOM 189 O HIS A2024 -6.290 -7.061 -0.833 1.00 54.01 O ATOM 190 CB HIS A2024 -4.855 -9.704 -1.915 1.00 25.11 C ATOM 191 CG HIS A2024 -3.780 -10.752 -2.087 1.00 35.34 C ATOM 192 ND1 HIS A2024 -4.030 -12.001 -2.630 1.00 13.13 N ATOM 193 CD2 HIS A2024 -2.451 -10.722 -1.782 1.00 15.13 C ATOM 194 CE1 HIS A2024 -2.895 -12.683 -2.646 1.00 33.34 C ATOM 195 NE2 HIS A2024 -1.917 -11.890 -2.120 1.00 12.20 N ATOM 0 H HIS A2024 -3.958 -10.600 0.218 1.00 63.34 H new ATOM 0 HA HIS A2024 -3.943 -8.088 -0.907 1.00 0.11 H new ATOM 0 HB2 HIS A2024 -5.826 -10.197 -1.879 1.00 25.11 H new ATOM 0 HB3 HIS A2024 -4.859 -9.055 -2.791 1.00 25.11 H new ATOM 0 HD2 HIS A2024 -1.923 -9.890 -1.341 1.00 15.13 H new ATOM 0 HE1 HIS A2024 -2.766 -13.691 -3.012 1.00 33.34 H new ATOM 0 HE2 HIS A2024 -0.938 -12.151 -2.005 1.00 12.20 H new ATOM 204 N GLU A2025 -6.685 -8.693 0.683 1.00 15.42 N ATOM 205 CA GLU A2025 -7.928 -8.108 1.154 1.00 34.51 C ATOM 206 C GLU A2025 -7.650 -6.818 1.928 1.00 11.21 C ATOM 207 O GLU A2025 -8.454 -5.888 1.903 1.00 63.51 O ATOM 208 CB GLU A2025 -8.713 -9.104 2.013 1.00 41.41 C ATOM 209 CG GLU A2025 -10.140 -8.612 2.257 1.00 15.32 C ATOM 210 CD GLU A2025 -10.402 -8.412 3.752 1.00 21.51 C ATOM 211 OE1 GLU A2025 -9.462 -8.146 4.515 1.00 54.42 O ATOM 212 OE2 GLU A2025 -11.634 -8.546 4.113 1.00 41.34 O ATOM 0 H GLU A2025 -6.422 -9.564 1.144 1.00 15.42 H new ATOM 0 HA GLU A2025 -8.541 -7.863 0.287 1.00 34.51 H new ATOM 0 HB2 GLU A2025 -8.739 -10.075 1.518 1.00 41.41 H new ATOM 0 HB3 GLU A2025 -8.205 -9.246 2.967 1.00 41.41 H new ATOM 0 HG2 GLU A2025 -10.301 -7.673 1.727 1.00 15.32 H new ATOM 0 HG3 GLU A2025 -10.851 -9.332 1.852 1.00 15.32 H new ATOM 220 N MET A2026 -6.507 -6.803 2.599 1.00 41.14 N ATOM 221 CA MET A2026 -6.113 -5.642 3.378 1.00 13.54 C ATOM 222 C MET A2026 -5.611 -4.517 2.471 1.00 44.42 C ATOM 223 O MET A2026 -5.774 -3.339 2.789 1.00 23.13 O ATOM 224 CB MET A2026 -5.007 -6.039 4.360 1.00 73.53 C ATOM 225 CG MET A2026 -3.625 -5.861 3.729 1.00 41.21 C ATOM 226 SD MET A2026 -3.073 -4.175 3.933 1.00 44.03 S ATOM 227 CE MET A2026 -1.318 -4.443 4.116 1.00 3.10 C ATOM 0 H MET A2026 -5.842 -7.576 2.619 1.00 41.14 H new ATOM 0 HA MET A2026 -6.985 -5.281 3.924 1.00 13.54 H new ATOM 0 HB2 MET A2026 -5.080 -5.431 5.261 1.00 73.53 H new ATOM 0 HB3 MET A2026 -5.141 -7.077 4.664 1.00 73.53 H new ATOM 0 HG2 MET A2026 -2.914 -6.544 4.193 1.00 41.21 H new ATOM 0 HG3 MET A2026 -3.665 -6.114 2.669 1.00 41.21 H new ATOM 0 HE1 MET A2026 -0.799 -3.485 4.094 1.00 3.10 H new ATOM 0 HE2 MET A2026 -1.123 -4.939 5.067 1.00 3.10 H new ATOM 0 HE3 MET A2026 -0.958 -5.069 3.300 1.00 3.10 H new ATOM 237 N TRP A2027 -5.012 -4.920 1.360 1.00 11.42 N ATOM 238 CA TRP A2027 -4.486 -3.959 0.405 1.00 5.20 C ATOM 239 C TRP A2027 -5.671 -3.262 -0.267 1.00 64.21 C ATOM 240 O TRP A2027 -5.719 -2.035 -0.329 1.00 72.30 O ATOM 241 CB TRP A2027 -3.547 -4.638 -0.595 1.00 30.11 C ATOM 242 CG TRP A2027 -2.308 -5.267 0.044 1.00 21.01 C ATOM 243 CD1 TRP A2027 -2.232 -6.404 0.752 1.00 52.44 C ATOM 244 CD2 TRP A2027 -0.962 -4.748 0.005 1.00 55.12 C ATOM 245 NE1 TRP A2027 -0.939 -6.653 1.169 1.00 33.20 N ATOM 246 CE2 TRP A2027 -0.144 -5.614 0.702 1.00 1.03 C ATOM 247 CE3 TRP A2027 -0.453 -3.584 -0.597 1.00 41.01 C ATOM 248 CZ2 TRP A2027 1.232 -5.408 0.861 1.00 50.30 C ATOM 249 CZ3 TRP A2027 0.922 -3.392 -0.428 1.00 40.22 C ATOM 250 CH2 TRP A2027 1.761 -4.254 0.269 1.00 64.31 C ATOM 0 H TRP A2027 -4.879 -5.897 1.100 1.00 11.42 H new ATOM 0 HA TRP A2027 -3.880 -3.206 0.910 1.00 5.20 H new ATOM 0 HB2 TRP A2027 -4.099 -5.411 -1.130 1.00 30.11 H new ATOM 0 HB3 TRP A2027 -3.229 -3.904 -1.335 1.00 30.11 H new ATOM 0 HD1 TRP A2027 -3.075 -7.044 0.968 1.00 52.44 H new ATOM 0 HE1 TRP A2027 -0.625 -7.453 1.719 1.00 33.20 H new ATOM 0 HE3 TRP A2027 -1.075 -2.893 -1.147 1.00 41.01 H new ATOM 0 HZ2 TRP A2027 1.852 -6.101 1.410 1.00 50.30 H new ATOM 0 HZ3 TRP A2027 1.364 -2.511 -0.871 1.00 40.22 H new ATOM 0 HH2 TRP A2027 2.815 -4.035 0.354 1.00 64.31 H new ATOM 261 N HIS A2028 -6.596 -4.075 -0.754 1.00 22.32 N ATOM 262 CA HIS A2028 -7.778 -3.553 -1.418 1.00 11.51 C ATOM 263 C HIS A2028 -8.573 -2.685 -0.443 1.00 60.34 C ATOM 264 O HIS A2028 -8.795 -1.501 -0.697 1.00 30.45 O ATOM 265 CB HIS A2028 -8.611 -4.687 -2.019 1.00 23.22 C ATOM 266 CG HIS A2028 -10.102 -4.473 -1.919 1.00 21.30 C ATOM 267 ND1 HIS A2028 -10.867 -4.019 -2.980 1.00 0.04 N ATOM 268 CD2 HIS A2028 -10.962 -4.655 -0.875 1.00 22.34 C ATOM 269 CE1 HIS A2028 -12.127 -3.936 -2.581 1.00 65.24 C ATOM 270 NE2 HIS A2028 -12.183 -4.330 -1.277 1.00 14.10 N ATOM 0 H HIS A2028 -6.551 -5.093 -0.702 1.00 22.32 H new ATOM 0 HA HIS A2028 -7.479 -2.919 -2.253 1.00 11.51 H new ATOM 0 HB2 HIS A2028 -8.341 -4.806 -3.068 1.00 23.22 H new ATOM 0 HB3 HIS A2028 -8.354 -5.619 -1.516 1.00 23.22 H new ATOM 0 HD2 HIS A2028 -10.694 -5.004 0.111 1.00 22.34 H new ATOM 0 HE1 HIS A2028 -12.963 -3.613 -3.183 1.00 65.24 H new ATOM 0 HE2 HIS A2028 -13.026 -4.368 -0.704 1.00 14.10 H new ATOM 279 N GLU A2029 -8.982 -3.305 0.654 1.00 21.24 N ATOM 280 CA GLU A2029 -9.749 -2.605 1.670 1.00 12.22 C ATOM 281 C GLU A2029 -8.914 -1.477 2.281 1.00 71.33 C ATOM 282 O GLU A2029 -9.451 -0.431 2.647 1.00 11.52 O ATOM 283 CB GLU A2029 -10.238 -3.570 2.751 1.00 0.14 C ATOM 284 CG GLU A2029 -9.104 -3.948 3.706 1.00 53.53 C ATOM 285 CD GLU A2029 -9.138 -3.081 4.967 1.00 22.30 C ATOM 286 OE1 GLU A2029 -8.507 -2.015 5.003 1.00 40.44 O ATOM 287 OE2 GLU A2029 -9.853 -3.552 5.933 1.00 10.54 O ATOM 0 H GLU A2029 -8.796 -4.286 0.862 1.00 21.24 H new ATOM 0 HA GLU A2029 -10.627 -2.167 1.196 1.00 12.22 H new ATOM 0 HB2 GLU A2029 -11.052 -3.110 3.312 1.00 0.14 H new ATOM 0 HB3 GLU A2029 -10.640 -4.470 2.285 1.00 0.14 H new ATOM 0 HG2 GLU A2029 -9.190 -4.999 3.981 1.00 53.53 H new ATOM 0 HG3 GLU A2029 -8.145 -3.827 3.203 1.00 53.53 H new ATOM 295 N GLY A2030 -7.617 -1.726 2.372 1.00 63.21 N ATOM 296 CA GLY A2030 -6.703 -0.744 2.931 1.00 42.15 C ATOM 297 C GLY A2030 -6.706 0.543 2.102 1.00 70.31 C ATOM 298 O GLY A2030 -7.103 1.600 2.592 1.00 11.42 O ATOM 0 H GLY A2030 -7.176 -2.594 2.068 1.00 63.21 H new ATOM 0 HA2 GLY A2030 -6.989 -0.519 3.959 1.00 42.15 H new ATOM 0 HA3 GLY A2030 -5.695 -1.157 2.964 1.00 42.15 H new ATOM 302 N LEU A2031 -6.262 0.411 0.861 1.00 34.33 N ATOM 303 CA LEU A2031 -6.210 1.549 -0.040 1.00 11.41 C ATOM 304 C LEU A2031 -7.623 2.091 -0.253 1.00 20.23 C ATOM 305 O LEU A2031 -7.810 3.293 -0.442 1.00 22.41 O ATOM 306 CB LEU A2031 -5.492 1.173 -1.337 1.00 15.14 C ATOM 307 CG LEU A2031 -4.356 2.101 -1.772 1.00 52.35 C ATOM 308 CD1 LEU A2031 -3.467 2.470 -0.583 1.00 61.24 C ATOM 309 CD2 LEU A2031 -3.554 1.488 -2.919 1.00 62.44 C ATOM 0 H LEU A2031 -5.935 -0.467 0.458 1.00 34.33 H new ATOM 0 HA LEU A2031 -5.623 2.356 0.399 1.00 11.41 H new ATOM 0 HB2 LEU A2031 -5.089 0.166 -1.226 1.00 15.14 H new ATOM 0 HB3 LEU A2031 -6.230 1.135 -2.139 1.00 15.14 H new ATOM 0 HG LEU A2031 -4.795 3.026 -2.147 1.00 52.35 H new ATOM 0 HD11 LEU A2031 -2.667 3.130 -0.918 1.00 61.24 H new ATOM 0 HD12 LEU A2031 -4.064 2.979 0.174 1.00 61.24 H new ATOM 0 HD13 LEU A2031 -3.035 1.564 -0.156 1.00 61.24 H new ATOM 0 HD21 LEU A2031 -2.753 2.169 -3.208 1.00 62.44 H new ATOM 0 HD22 LEU A2031 -3.125 0.539 -2.597 1.00 62.44 H new ATOM 0 HD23 LEU A2031 -4.211 1.318 -3.772 1.00 62.44 H new ATOM 321 N GLU A2032 -8.584 1.181 -0.217 1.00 13.35 N ATOM 322 CA GLU A2032 -9.977 1.551 -0.404 1.00 0.40 C ATOM 323 C GLU A2032 -10.376 2.635 0.598 1.00 15.34 C ATOM 324 O GLU A2032 -10.974 3.643 0.225 1.00 62.04 O ATOM 325 CB GLU A2032 -10.891 0.331 -0.285 1.00 30.11 C ATOM 326 CG GLU A2032 -11.233 -0.234 -1.666 1.00 34.41 C ATOM 327 CD GLU A2032 -12.640 -0.837 -1.677 1.00 1.43 C ATOM 328 OE1 GLU A2032 -13.056 -1.459 -0.688 1.00 53.04 O ATOM 329 OE2 GLU A2032 -13.308 -0.641 -2.764 1.00 21.10 O ATOM 0 H GLU A2032 -8.426 0.186 -0.061 1.00 13.35 H new ATOM 0 HA GLU A2032 -10.094 1.952 -1.411 1.00 0.40 H new ATOM 0 HB2 GLU A2032 -10.403 -0.437 0.315 1.00 30.11 H new ATOM 0 HB3 GLU A2032 -11.808 0.608 0.236 1.00 30.11 H new ATOM 0 HG2 GLU A2032 -11.166 0.557 -2.413 1.00 34.41 H new ATOM 0 HG3 GLU A2032 -10.504 -0.996 -1.942 1.00 34.41 H new ATOM 337 N GLU A2033 -10.030 2.391 1.855 1.00 2.11 N ATOM 338 CA GLU A2033 -10.344 3.334 2.915 1.00 63.43 C ATOM 339 C GLU A2033 -9.423 4.553 2.832 1.00 64.54 C ATOM 340 O GLU A2033 -9.888 5.692 2.870 1.00 24.22 O ATOM 341 CB GLU A2033 -10.250 2.667 4.288 1.00 23.33 C ATOM 342 CG GLU A2033 -11.249 3.284 5.267 1.00 11.44 C ATOM 343 CD GLU A2033 -11.547 2.327 6.423 1.00 71.12 C ATOM 344 OE1 GLU A2033 -10.682 1.522 6.799 1.00 63.50 O ATOM 345 OE2 GLU A2033 -12.726 2.440 6.936 1.00 42.41 O ATOM 0 H GLU A2033 -9.535 1.554 2.162 1.00 2.11 H new ATOM 0 HA GLU A2033 -11.372 3.671 2.782 1.00 63.43 H new ATOM 0 HB2 GLU A2033 -10.443 1.599 4.191 1.00 23.33 H new ATOM 0 HB3 GLU A2033 -9.238 2.774 4.680 1.00 23.33 H new ATOM 0 HG2 GLU A2033 -10.849 4.219 5.659 1.00 11.44 H new ATOM 0 HG3 GLU A2033 -12.174 3.527 4.744 1.00 11.44 H new ATOM 353 N ALA A2034 -8.134 4.272 2.720 1.00 61.25 N ATOM 354 CA ALA A2034 -7.142 5.331 2.632 1.00 35.33 C ATOM 355 C ALA A2034 -7.478 6.242 1.449 1.00 60.45 C ATOM 356 O ALA A2034 -7.299 7.455 1.525 1.00 10.12 O ATOM 357 CB ALA A2034 -5.746 4.717 2.518 1.00 62.44 C ATOM 0 H ALA A2034 -7.753 3.327 2.688 1.00 61.25 H new ATOM 0 HA ALA A2034 -7.154 5.944 3.534 1.00 35.33 H new ATOM 0 HB1 ALA A2034 -5.003 5.512 2.452 1.00 62.44 H new ATOM 0 HB2 ALA A2034 -5.545 4.105 3.397 1.00 62.44 H new ATOM 0 HB3 ALA A2034 -5.693 4.096 1.624 1.00 62.44 H new ATOM 363 N SER A2035 -7.960 5.618 0.383 1.00 41.52 N ATOM 364 CA SER A2035 -8.322 6.357 -0.814 1.00 33.01 C ATOM 365 C SER A2035 -9.651 7.083 -0.599 1.00 71.54 C ATOM 366 O SER A2035 -9.744 8.291 -0.813 1.00 65.31 O ATOM 367 CB SER A2035 -8.415 5.429 -2.026 1.00 51.31 C ATOM 368 OG SER A2035 -9.003 6.076 -3.152 1.00 43.41 O ATOM 0 H SER A2035 -8.108 4.610 0.324 1.00 41.52 H new ATOM 0 HA SER A2035 -7.542 7.092 -1.011 1.00 33.01 H new ATOM 0 HB2 SER A2035 -7.418 5.077 -2.290 1.00 51.31 H new ATOM 0 HB3 SER A2035 -9.004 4.550 -1.765 1.00 51.31 H new ATOM 0 HG SER A2035 -8.645 6.985 -3.231 1.00 43.41 H new ATOM 374 N ARG A2036 -10.646 6.317 -0.179 1.00 72.15 N ATOM 375 CA ARG A2036 -11.967 6.872 0.067 1.00 20.35 C ATOM 376 C ARG A2036 -11.862 8.113 0.956 1.00 13.14 C ATOM 377 O ARG A2036 -12.508 9.127 0.692 1.00 32.31 O ATOM 378 CB ARG A2036 -12.879 5.846 0.742 1.00 24.11 C ATOM 379 CG ARG A2036 -14.334 6.316 0.732 1.00 74.45 C ATOM 380 CD ARG A2036 -15.069 5.852 1.993 1.00 43.42 C ATOM 381 NE ARG A2036 -16.309 6.637 2.174 1.00 54.22 N ATOM 382 CZ ARG A2036 -17.198 6.430 3.170 1.00 0.41 C ATOM 383 NH1 ARG A2036 -16.989 5.459 4.082 1.00 31.23 N ATOM 384 NH2 ARG A2036 -18.274 7.193 3.236 1.00 50.34 N ATOM 0 H ARG A2036 -10.565 5.316 -0.002 1.00 72.15 H new ATOM 0 HA ARG A2036 -12.397 7.145 -0.897 1.00 20.35 H new ATOM 0 HB2 ARG A2036 -12.799 4.889 0.227 1.00 24.11 H new ATOM 0 HB3 ARG A2036 -12.552 5.684 1.769 1.00 24.11 H new ATOM 0 HG2 ARG A2036 -14.368 7.403 0.666 1.00 74.45 H new ATOM 0 HG3 ARG A2036 -14.840 5.927 -0.152 1.00 74.45 H new ATOM 0 HD2 ARG A2036 -15.308 4.792 1.915 1.00 43.42 H new ATOM 0 HD3 ARG A2036 -14.424 5.970 2.864 1.00 43.42 H new ATOM 0 HE ARG A2036 -16.505 7.381 1.505 1.00 54.22 H new ATOM 0 HH11 ARG A2036 -16.155 4.875 4.023 1.00 31.23 H new ATOM 0 HH12 ARG A2036 -17.665 5.309 4.831 1.00 31.23 H new ATOM 0 HH21 ARG A2036 -18.424 7.925 2.542 1.00 50.34 H new ATOM 0 HH22 ARG A2036 -18.955 7.050 3.981 1.00 50.34 H new ATOM 396 N LEU A2037 -11.046 7.993 1.992 1.00 34.22 N ATOM 397 CA LEU A2037 -10.849 9.092 2.922 1.00 32.14 C ATOM 398 C LEU A2037 -10.057 10.204 2.231 1.00 30.34 C ATOM 399 O LEU A2037 -10.435 11.373 2.296 1.00 23.05 O ATOM 400 CB LEU A2037 -10.204 8.591 4.217 1.00 20.32 C ATOM 401 CG LEU A2037 -8.761 8.095 4.099 1.00 22.41 C ATOM 402 CD1 LEU A2037 -7.793 9.266 3.921 1.00 40.53 C ATOM 403 CD2 LEU A2037 -8.385 7.215 5.292 1.00 71.24 C ATOM 0 H LEU A2037 -10.513 7.151 2.208 1.00 34.22 H new ATOM 0 HA LEU A2037 -11.808 9.518 3.216 1.00 32.14 H new ATOM 0 HB2 LEU A2037 -10.231 9.398 4.949 1.00 20.32 H new ATOM 0 HB3 LEU A2037 -10.815 7.780 4.614 1.00 20.32 H new ATOM 0 HG LEU A2037 -8.684 7.475 3.206 1.00 22.41 H new ATOM 0 HD11 LEU A2037 -6.774 8.887 3.840 1.00 40.53 H new ATOM 0 HD12 LEU A2037 -8.049 9.815 3.015 1.00 40.53 H new ATOM 0 HD13 LEU A2037 -7.865 9.931 4.781 1.00 40.53 H new ATOM 0 HD21 LEU A2037 -7.355 6.876 5.184 1.00 71.24 H new ATOM 0 HD22 LEU A2037 -8.483 7.790 6.213 1.00 71.24 H new ATOM 0 HD23 LEU A2037 -9.049 6.352 5.331 1.00 71.24 H new ATOM 415 N TYR A2038 -8.974 9.800 1.585 1.00 53.51 N ATOM 416 CA TYR A2038 -8.125 10.747 0.882 1.00 34.21 C ATOM 417 C TYR A2038 -8.939 11.584 -0.107 1.00 23.25 C ATOM 418 O TYR A2038 -8.791 12.804 -0.162 1.00 31.12 O ATOM 419 CB TYR A2038 -7.108 9.907 0.105 1.00 31.34 C ATOM 420 CG TYR A2038 -6.355 10.686 -0.976 1.00 33.45 C ATOM 421 CD1 TYR A2038 -5.351 11.564 -0.619 1.00 4.15 C ATOM 422 CD2 TYR A2038 -6.678 10.509 -2.305 1.00 31.33 C ATOM 423 CE1 TYR A2038 -4.640 12.296 -1.636 1.00 24.44 C ATOM 424 CE2 TYR A2038 -5.968 11.242 -3.322 1.00 20.33 C ATOM 425 CZ TYR A2038 -4.985 12.098 -2.937 1.00 42.01 C ATOM 426 OH TYR A2038 -4.314 12.789 -3.898 1.00 71.14 O ATOM 0 H TYR A2038 -8.664 8.830 1.533 1.00 53.51 H new ATOM 0 HA TYR A2038 -7.651 11.432 1.585 1.00 34.21 H new ATOM 0 HB2 TYR A2038 -6.386 9.488 0.806 1.00 31.34 H new ATOM 0 HB3 TYR A2038 -7.625 9.067 -0.360 1.00 31.34 H new ATOM 0 HD1 TYR A2038 -5.099 11.702 0.422 1.00 4.15 H new ATOM 0 HD2 TYR A2038 -7.463 9.821 -2.583 1.00 31.33 H new ATOM 0 HE1 TYR A2038 -3.852 12.986 -1.372 1.00 24.44 H new ATOM 0 HE2 TYR A2038 -6.211 11.114 -4.366 1.00 20.33 H new ATOM 0 HH TYR A2038 -4.665 12.547 -4.780 1.00 71.14 H new ATOM 436 N PHE A2039 -9.781 10.895 -0.864 1.00 22.15 N ATOM 437 CA PHE A2039 -10.619 11.560 -1.848 1.00 34.22 C ATOM 438 C PHE A2039 -11.803 12.256 -1.176 1.00 75.33 C ATOM 439 O PHE A2039 -12.093 13.416 -1.470 1.00 34.31 O ATOM 440 CB PHE A2039 -11.145 10.476 -2.790 1.00 31.13 C ATOM 441 CG PHE A2039 -10.138 10.032 -3.851 1.00 23.43 C ATOM 442 CD1 PHE A2039 -9.786 10.880 -4.855 1.00 22.25 C ATOM 443 CD2 PHE A2039 -9.594 8.787 -3.792 1.00 21.05 C ATOM 444 CE1 PHE A2039 -8.850 10.467 -5.839 1.00 31.53 C ATOM 445 CE2 PHE A2039 -8.658 8.373 -4.777 1.00 33.53 C ATOM 446 CZ PHE A2039 -8.305 9.223 -5.780 1.00 21.43 C ATOM 0 H PHE A2039 -9.901 9.883 -0.816 1.00 22.15 H new ATOM 0 HA PHE A2039 -10.043 12.317 -2.381 1.00 34.22 H new ATOM 0 HB2 PHE A2039 -11.442 9.609 -2.200 1.00 31.13 H new ATOM 0 HB3 PHE A2039 -12.042 10.845 -3.287 1.00 31.13 H new ATOM 0 HD1 PHE A2039 -10.219 11.868 -4.903 1.00 22.25 H new ATOM 0 HD2 PHE A2039 -9.874 8.113 -2.996 1.00 21.05 H new ATOM 0 HE1 PHE A2039 -8.571 11.141 -6.635 1.00 31.53 H new ATOM 0 HE2 PHE A2039 -8.226 7.384 -4.730 1.00 33.53 H new ATOM 0 HZ PHE A2039 -7.592 8.909 -6.528 1.00 21.43 H new ATOM 456 N GLY A2040 -12.458 11.521 -0.289 1.00 3.12 N ATOM 457 CA GLY A2040 -13.605 12.052 0.425 1.00 73.24 C ATOM 458 C GLY A2040 -13.163 12.856 1.651 1.00 61.25 C ATOM 459 O GLY A2040 -13.240 14.084 1.652 1.00 53.00 O ATOM 0 H GLY A2040 -12.215 10.560 -0.049 1.00 3.12 H new ATOM 0 HA2 GLY A2040 -14.190 12.688 -0.240 1.00 73.24 H new ATOM 0 HA3 GLY A2040 -14.255 11.234 0.737 1.00 73.24 H new ATOM 463 N GLU A2041 -12.711 12.131 2.662 1.00 74.44 N ATOM 464 CA GLU A2041 -12.258 12.759 3.891 1.00 14.21 C ATOM 465 C GLU A2041 -11.318 13.924 3.574 1.00 55.20 C ATOM 466 O GLU A2041 -11.191 14.857 4.366 1.00 65.34 O ATOM 467 CB GLU A2041 -11.580 11.741 4.810 1.00 70.43 C ATOM 468 CG GLU A2041 -11.466 12.282 6.238 1.00 43.02 C ATOM 469 CD GLU A2041 -12.840 12.356 6.907 1.00 44.33 C ATOM 470 OE1 GLU A2041 -13.725 11.547 6.596 1.00 32.53 O ATOM 471 OE2 GLU A2041 -12.971 13.297 7.778 1.00 12.12 O ATOM 0 H GLU A2041 -12.648 11.113 2.656 1.00 74.44 H new ATOM 0 HA GLU A2041 -13.127 13.151 4.419 1.00 14.21 H new ATOM 0 HB2 GLU A2041 -12.151 10.812 4.814 1.00 70.43 H new ATOM 0 HB3 GLU A2041 -10.588 11.504 4.427 1.00 70.43 H new ATOM 0 HG2 GLU A2041 -10.807 11.640 6.822 1.00 43.02 H new ATOM 0 HG3 GLU A2041 -11.012 13.273 6.220 1.00 43.02 H new ATOM 479 N ARG A2042 -10.683 13.832 2.415 1.00 52.32 N ATOM 480 CA ARG A2042 -9.758 14.867 1.985 1.00 11.24 C ATOM 481 C ARG A2042 -8.605 14.997 2.981 1.00 71.00 C ATOM 482 O ARG A2042 -7.910 16.011 3.004 1.00 62.30 O ATOM 483 CB ARG A2042 -10.465 16.218 1.855 1.00 41.41 C ATOM 484 CG ARG A2042 -10.992 16.427 0.432 1.00 22.24 C ATOM 485 CD ARG A2042 -9.872 16.258 -0.595 1.00 64.31 C ATOM 486 NE ARG A2042 -9.842 17.424 -1.507 1.00 74.25 N ATOM 487 CZ ARG A2042 -9.331 17.395 -2.756 1.00 41.20 C ATOM 488 NH1 ARG A2042 -8.803 16.257 -3.255 1.00 2.51 N ATOM 489 NH2 ARG A2042 -9.356 18.497 -3.482 1.00 43.32 N ATOM 0 H ARG A2042 -10.791 13.057 1.761 1.00 52.32 H new ATOM 0 HA ARG A2042 -9.368 14.578 1.009 1.00 11.24 H new ATOM 0 HB2 ARG A2042 -11.291 16.270 2.564 1.00 41.41 H new ATOM 0 HB3 ARG A2042 -9.774 17.021 2.112 1.00 41.41 H new ATOM 0 HG2 ARG A2042 -11.790 15.713 0.227 1.00 22.24 H new ATOM 0 HG3 ARG A2042 -11.425 17.423 0.343 1.00 22.24 H new ATOM 0 HD2 ARG A2042 -8.913 16.159 -0.087 1.00 64.31 H new ATOM 0 HD3 ARG A2042 -10.026 15.343 -1.166 1.00 64.31 H new ATOM 0 HE ARG A2042 -10.232 18.304 -1.170 1.00 74.25 H new ATOM 0 HH11 ARG A2042 -8.788 15.410 -2.687 1.00 2.51 H new ATOM 0 HH12 ARG A2042 -8.419 16.244 -4.200 1.00 2.51 H new ATOM 0 HH21 ARG A2042 -9.757 19.352 -3.097 1.00 43.32 H new ATOM 0 HH22 ARG A2042 -8.974 18.493 -4.428 1.00 43.32 H new ATOM 501 N ASN A2043 -8.438 13.955 3.783 1.00 13.12 N ATOM 502 CA ASN A2043 -7.381 13.940 4.781 1.00 63.33 C ATOM 503 C ASN A2043 -6.392 12.819 4.452 1.00 41.15 C ATOM 504 O ASN A2043 -6.763 11.646 4.436 1.00 71.00 O ATOM 505 CB ASN A2043 -7.945 13.679 6.177 1.00 35.51 C ATOM 506 CG ASN A2043 -7.846 14.930 7.052 1.00 64.33 C ATOM 507 OD1 ASN A2043 -6.994 15.783 6.867 1.00 41.31 O ATOM 508 ND2 ASN A2043 -8.762 14.991 8.014 1.00 31.31 N ATOM 0 H ASN A2043 -9.017 13.115 3.762 1.00 13.12 H new ATOM 0 HA ASN A2043 -6.890 14.913 4.768 1.00 63.33 H new ATOM 0 HB2 ASN A2043 -8.986 13.367 6.100 1.00 35.51 H new ATOM 0 HB3 ASN A2043 -7.400 12.859 6.646 1.00 35.51 H new ATOM 0 HD21 ASN A2043 -8.779 15.787 8.652 1.00 31.31 H new ATOM 0 HD22 ASN A2043 -9.447 14.242 8.114 1.00 31.31 H new ATOM 515 N VAL A2044 -5.155 13.219 4.199 1.00 52.14 N ATOM 516 CA VAL A2044 -4.112 12.263 3.874 1.00 62.33 C ATOM 517 C VAL A2044 -3.698 11.513 5.140 1.00 55.14 C ATOM 518 O VAL A2044 -3.227 10.379 5.070 1.00 41.51 O ATOM 519 CB VAL A2044 -2.942 12.977 3.192 1.00 22.13 C ATOM 520 CG1 VAL A2044 -1.719 12.061 3.097 1.00 33.12 C ATOM 521 CG2 VAL A2044 -3.346 13.496 1.811 1.00 44.25 C ATOM 0 H VAL A2044 -4.852 14.193 4.213 1.00 52.14 H new ATOM 0 HA VAL A2044 -4.482 11.522 3.165 1.00 62.33 H new ATOM 0 HB VAL A2044 -2.670 13.835 3.807 1.00 22.13 H new ATOM 0 HG11 VAL A2044 -0.903 12.593 2.609 1.00 33.12 H new ATOM 0 HG12 VAL A2044 -1.409 11.762 4.099 1.00 33.12 H new ATOM 0 HG13 VAL A2044 -1.973 11.174 2.516 1.00 33.12 H new ATOM 0 HG21 VAL A2044 -2.497 13.999 1.349 1.00 44.25 H new ATOM 0 HG22 VAL A2044 -3.658 12.660 1.185 1.00 44.25 H new ATOM 0 HG23 VAL A2044 -4.172 14.200 1.914 1.00 44.25 H new ATOM 531 N LYS A2045 -3.888 12.178 6.272 1.00 21.32 N ATOM 532 CA LYS A2045 -3.542 11.588 7.553 1.00 32.11 C ATOM 533 C LYS A2045 -4.169 10.196 7.657 1.00 21.20 C ATOM 534 O LYS A2045 -3.570 9.282 8.222 1.00 40.01 O ATOM 535 CB LYS A2045 -3.933 12.525 8.697 1.00 54.12 C ATOM 536 CG LYS A2045 -5.431 12.834 8.667 1.00 34.20 C ATOM 537 CD LYS A2045 -6.126 12.304 9.922 1.00 25.42 C ATOM 538 CE LYS A2045 -7.639 12.529 9.849 1.00 40.42 C ATOM 539 NZ LYS A2045 -8.110 13.264 11.042 1.00 33.33 N ATOM 0 H LYS A2045 -4.277 13.119 6.327 1.00 21.32 H new ATOM 0 HA LYS A2045 -2.463 11.458 7.632 1.00 32.11 H new ATOM 0 HB2 LYS A2045 -3.672 12.068 9.651 1.00 54.12 H new ATOM 0 HB3 LYS A2045 -3.365 13.453 8.622 1.00 54.12 H new ATOM 0 HG2 LYS A2045 -5.582 13.911 8.591 1.00 34.20 H new ATOM 0 HG3 LYS A2045 -5.881 12.385 7.781 1.00 34.20 H new ATOM 0 HD2 LYS A2045 -5.918 11.240 10.035 1.00 25.42 H new ATOM 0 HD3 LYS A2045 -5.723 12.803 10.803 1.00 25.42 H new ATOM 0 HE2 LYS A2045 -7.886 13.090 8.948 1.00 40.42 H new ATOM 0 HE3 LYS A2045 -8.152 11.570 9.779 1.00 40.42 H new ATOM 0 HZ1 LYS A2045 -9.138 13.409 10.977 1.00 33.33 H new ATOM 0 HZ2 LYS A2045 -7.891 12.714 11.897 1.00 33.33 H new ATOM 0 HZ3 LYS A2045 -7.633 14.187 11.092 1.00 33.33 H new ATOM 552 N GLY A2046 -5.366 10.079 7.101 1.00 13.02 N ATOM 553 CA GLY A2046 -6.081 8.815 7.125 1.00 44.11 C ATOM 554 C GLY A2046 -5.303 7.731 6.373 1.00 62.32 C ATOM 555 O GLY A2046 -5.045 6.658 6.916 1.00 75.30 O ATOM 0 H GLY A2046 -5.858 10.839 6.631 1.00 13.02 H new ATOM 0 HA2 GLY A2046 -6.241 8.503 8.157 1.00 44.11 H new ATOM 0 HA3 GLY A2046 -7.065 8.941 6.674 1.00 44.11 H new ATOM 559 N MET A2047 -4.953 8.051 5.137 1.00 23.52 N ATOM 560 CA MET A2047 -4.211 7.119 4.305 1.00 44.05 C ATOM 561 C MET A2047 -2.957 6.619 5.026 1.00 33.21 C ATOM 562 O MET A2047 -2.647 5.429 4.987 1.00 22.30 O ATOM 563 CB MET A2047 -3.809 7.807 2.998 1.00 11.45 C ATOM 564 CG MET A2047 -2.786 6.969 2.229 1.00 41.30 C ATOM 565 SD MET A2047 -1.135 7.356 2.784 1.00 13.00 S ATOM 566 CE MET A2047 -1.137 9.127 2.552 1.00 24.34 C ATOM 0 H MET A2047 -5.169 8.942 4.691 1.00 23.52 H new ATOM 0 HA MET A2047 -4.851 6.263 4.092 1.00 44.05 H new ATOM 0 HB2 MET A2047 -4.693 7.966 2.380 1.00 11.45 H new ATOM 0 HB3 MET A2047 -3.390 8.790 3.214 1.00 11.45 H new ATOM 0 HG2 MET A2047 -2.988 5.908 2.377 1.00 41.30 H new ATOM 0 HG3 MET A2047 -2.874 7.164 1.160 1.00 41.30 H new ATOM 0 HE1 MET A2047 -0.206 9.432 2.074 1.00 24.34 H new ATOM 0 HE2 MET A2047 -1.979 9.410 1.921 1.00 24.34 H new ATOM 0 HE3 MET A2047 -1.227 9.621 3.520 1.00 24.34 H new ATOM 576 N PHE A2048 -2.270 7.554 5.667 1.00 52.10 N ATOM 577 CA PHE A2048 -1.057 7.223 6.395 1.00 31.13 C ATOM 578 C PHE A2048 -1.371 6.363 7.621 1.00 62.31 C ATOM 579 O PHE A2048 -0.614 5.454 7.956 1.00 4.13 O ATOM 580 CB PHE A2048 -0.440 8.545 6.858 1.00 4.43 C ATOM 581 CG PHE A2048 0.245 9.335 5.742 1.00 55.53 C ATOM 582 CD1 PHE A2048 1.070 8.702 4.866 1.00 2.31 C ATOM 583 CD2 PHE A2048 0.030 10.674 5.625 1.00 14.42 C ATOM 584 CE1 PHE A2048 1.706 9.435 3.830 1.00 55.35 C ATOM 585 CE2 PHE A2048 0.665 11.408 4.591 1.00 51.33 C ATOM 586 CZ PHE A2048 1.490 10.773 3.714 1.00 14.20 C ATOM 0 H PHE A2048 -2.530 8.540 5.697 1.00 52.10 H new ATOM 0 HA PHE A2048 -0.379 6.660 5.754 1.00 31.13 H new ATOM 0 HB2 PHE A2048 -1.221 9.163 7.301 1.00 4.43 H new ATOM 0 HB3 PHE A2048 0.287 8.340 7.643 1.00 4.43 H new ATOM 0 HD1 PHE A2048 1.242 7.640 4.959 1.00 2.31 H new ATOM 0 HD2 PHE A2048 -0.625 11.178 6.320 1.00 14.42 H new ATOM 0 HE1 PHE A2048 2.361 8.931 3.135 1.00 55.35 H new ATOM 0 HE2 PHE A2048 0.494 12.470 4.499 1.00 51.33 H new ATOM 0 HZ PHE A2048 1.973 11.332 2.926 1.00 14.20 H new ATOM 596 N GLU A2049 -2.489 6.682 8.257 1.00 13.41 N ATOM 597 CA GLU A2049 -2.912 5.951 9.440 1.00 2.00 C ATOM 598 C GLU A2049 -3.493 4.592 9.042 1.00 12.44 C ATOM 599 O GLU A2049 -3.679 3.721 9.889 1.00 30.22 O ATOM 600 CB GLU A2049 -3.921 6.763 10.254 1.00 22.35 C ATOM 601 CG GLU A2049 -3.314 8.088 10.714 1.00 71.01 C ATOM 602 CD GLU A2049 -4.401 9.146 10.921 1.00 44.53 C ATOM 603 OE1 GLU A2049 -4.264 10.011 11.798 1.00 52.14 O ATOM 604 OE2 GLU A2049 -5.414 9.049 10.128 1.00 10.00 O ATOM 0 H GLU A2049 -3.115 7.437 7.976 1.00 13.41 H new ATOM 0 HA GLU A2049 -2.040 5.781 10.071 1.00 2.00 H new ATOM 0 HB2 GLU A2049 -4.809 6.955 9.652 1.00 22.35 H new ATOM 0 HB3 GLU A2049 -4.243 6.186 11.121 1.00 22.35 H new ATOM 0 HG2 GLU A2049 -2.766 7.938 11.644 1.00 71.01 H new ATOM 0 HG3 GLU A2049 -2.595 8.440 9.974 1.00 71.01 H new ATOM 612 N VAL A2050 -3.766 4.455 7.754 1.00 4.24 N ATOM 613 CA VAL A2050 -4.322 3.217 7.233 1.00 2.13 C ATOM 614 C VAL A2050 -3.185 2.234 6.943 1.00 34.52 C ATOM 615 O VAL A2050 -3.281 1.054 7.279 1.00 10.50 O ATOM 616 CB VAL A2050 -5.189 3.508 6.006 1.00 0.23 C ATOM 617 CG1 VAL A2050 -5.455 2.229 5.208 1.00 50.01 C ATOM 618 CG2 VAL A2050 -6.498 4.187 6.408 1.00 71.32 C ATOM 0 H VAL A2050 -3.613 5.181 7.054 1.00 4.24 H new ATOM 0 HA VAL A2050 -4.974 2.751 7.972 1.00 2.13 H new ATOM 0 HB VAL A2050 -4.640 4.196 5.363 1.00 0.23 H new ATOM 0 HG11 VAL A2050 -6.073 2.463 4.341 1.00 50.01 H new ATOM 0 HG12 VAL A2050 -4.508 1.805 4.874 1.00 50.01 H new ATOM 0 HG13 VAL A2050 -5.973 1.507 5.839 1.00 50.01 H new ATOM 0 HG21 VAL A2050 -7.095 4.383 5.517 1.00 71.32 H new ATOM 0 HG22 VAL A2050 -7.054 3.535 7.082 1.00 71.32 H new ATOM 0 HG23 VAL A2050 -6.280 5.128 6.912 1.00 71.32 H new ATOM 628 N LEU A2051 -2.138 2.755 6.322 1.00 75.12 N ATOM 629 CA LEU A2051 -0.985 1.938 5.985 1.00 41.32 C ATOM 630 C LEU A2051 -0.155 1.687 7.246 1.00 4.14 C ATOM 631 O LEU A2051 0.264 0.559 7.502 1.00 50.43 O ATOM 632 CB LEU A2051 -0.191 2.580 4.843 1.00 32.15 C ATOM 633 CG LEU A2051 -0.956 2.805 3.539 1.00 42.41 C ATOM 634 CD1 LEU A2051 -2.452 2.555 3.730 1.00 61.23 C ATOM 635 CD2 LEU A2051 -0.677 4.201 2.974 1.00 35.24 C ATOM 0 H LEU A2051 -2.064 3.733 6.043 1.00 75.12 H new ATOM 0 HA LEU A2051 -1.303 0.963 5.615 1.00 41.32 H new ATOM 0 HB2 LEU A2051 0.191 3.541 5.188 1.00 32.15 H new ATOM 0 HB3 LEU A2051 0.674 1.952 4.630 1.00 32.15 H new ATOM 0 HG LEU A2051 -0.600 2.082 2.806 1.00 42.41 H new ATOM 0 HD11 LEU A2051 -2.972 2.722 2.787 1.00 61.23 H new ATOM 0 HD12 LEU A2051 -2.611 1.527 4.054 1.00 61.23 H new ATOM 0 HD13 LEU A2051 -2.841 3.238 4.485 1.00 61.23 H new ATOM 0 HD21 LEU A2051 -1.233 4.336 2.046 1.00 35.24 H new ATOM 0 HD22 LEU A2051 -0.989 4.955 3.697 1.00 35.24 H new ATOM 0 HD23 LEU A2051 0.390 4.307 2.776 1.00 35.24 H new ATOM 647 N GLU A2052 0.055 2.756 8.000 1.00 24.13 N ATOM 648 CA GLU A2052 0.827 2.665 9.227 1.00 61.31 C ATOM 649 C GLU A2052 0.563 1.327 9.923 1.00 71.24 C ATOM 650 O GLU A2052 1.494 0.570 10.193 1.00 50.51 O ATOM 651 CB GLU A2052 0.515 3.837 10.159 1.00 12.33 C ATOM 652 CG GLU A2052 1.695 4.808 10.233 1.00 73.24 C ATOM 653 CD GLU A2052 2.043 5.141 11.685 1.00 5.11 C ATOM 654 OE1 GLU A2052 1.151 5.509 12.466 1.00 14.42 O ATOM 655 OE2 GLU A2052 3.287 5.004 11.994 1.00 42.43 O ATOM 0 H GLU A2052 -0.296 3.689 7.785 1.00 24.13 H new ATOM 0 HA GLU A2052 1.885 2.717 8.972 1.00 61.31 H new ATOM 0 HB2 GLU A2052 -0.371 4.363 9.804 1.00 12.33 H new ATOM 0 HB3 GLU A2052 0.285 3.462 11.156 1.00 12.33 H new ATOM 0 HG2 GLU A2052 2.562 4.370 9.739 1.00 73.24 H new ATOM 0 HG3 GLU A2052 1.451 5.724 9.695 1.00 73.24 H new ATOM 663 N PRO A2053 -0.744 1.070 10.197 1.00 23.03 N ATOM 664 CA PRO A2053 -1.143 -0.163 10.854 1.00 4.40 C ATOM 665 C PRO A2053 -1.077 -1.347 9.887 1.00 50.25 C ATOM 666 O PRO A2053 -0.482 -2.375 10.199 1.00 2.43 O ATOM 667 CB PRO A2053 -2.546 0.104 11.373 1.00 10.11 C ATOM 668 CG PRO A2053 -3.059 1.301 10.591 1.00 52.13 C ATOM 669 CD PRO A2053 -1.873 1.943 9.890 1.00 61.22 C ATOM 0 HA PRO A2053 -0.477 -0.439 11.671 1.00 4.40 H new ATOM 0 HB2 PRO A2053 -3.189 -0.764 11.225 1.00 10.11 H new ATOM 0 HB3 PRO A2053 -2.534 0.313 12.443 1.00 10.11 H new ATOM 0 HG2 PRO A2053 -3.809 0.989 9.864 1.00 52.13 H new ATOM 0 HG3 PRO A2053 -3.540 2.015 11.259 1.00 52.13 H new ATOM 0 HD2 PRO A2053 -2.039 2.013 8.815 1.00 61.22 H new ATOM 0 HD3 PRO A2053 -1.700 2.956 10.252 1.00 61.22 H new ATOM 677 N LEU A2054 -1.698 -1.159 8.731 1.00 31.12 N ATOM 678 CA LEU A2054 -1.719 -2.200 7.717 1.00 41.00 C ATOM 679 C LEU A2054 -0.296 -2.718 7.496 1.00 44.13 C ATOM 680 O LEU A2054 -0.044 -3.916 7.609 1.00 22.30 O ATOM 681 CB LEU A2054 -2.391 -1.689 6.441 1.00 71.44 C ATOM 682 CG LEU A2054 -3.922 -1.735 6.425 1.00 50.14 C ATOM 683 CD1 LEU A2054 -4.478 -1.054 5.174 1.00 60.33 C ATOM 684 CD2 LEU A2054 -4.429 -3.171 6.570 1.00 2.21 C ATOM 0 H LEU A2054 -2.189 -0.303 8.475 1.00 31.12 H new ATOM 0 HA LEU A2054 -2.319 -3.046 8.051 1.00 41.00 H new ATOM 0 HB2 LEU A2054 -2.076 -0.659 6.276 1.00 71.44 H new ATOM 0 HB3 LEU A2054 -2.021 -2.274 5.599 1.00 71.44 H new ATOM 0 HG LEU A2054 -4.289 -1.176 7.285 1.00 50.14 H new ATOM 0 HD11 LEU A2054 -5.567 -1.101 5.188 1.00 60.33 H new ATOM 0 HD12 LEU A2054 -4.160 -0.012 5.155 1.00 60.33 H new ATOM 0 HD13 LEU A2054 -4.104 -1.563 4.286 1.00 60.33 H new ATOM 0 HD21 LEU A2054 -5.519 -3.175 6.556 1.00 2.21 H new ATOM 0 HD22 LEU A2054 -4.053 -3.775 5.744 1.00 2.21 H new ATOM 0 HD23 LEU A2054 -4.077 -3.588 7.514 1.00 2.21 H new ATOM 696 N HIS A2055 0.597 -1.790 7.184 1.00 71.21 N ATOM 697 CA HIS A2055 1.986 -2.139 6.947 1.00 10.43 C ATOM 698 C HIS A2055 2.564 -2.823 8.188 1.00 65.43 C ATOM 699 O HIS A2055 3.114 -3.919 8.097 1.00 22.30 O ATOM 700 CB HIS A2055 2.790 -0.908 6.521 1.00 3.51 C ATOM 701 CG HIS A2055 2.876 -0.719 5.025 1.00 41.44 C ATOM 702 ND1 HIS A2055 3.873 0.028 4.421 1.00 62.34 N ATOM 703 CD2 HIS A2055 2.083 -1.189 4.020 1.00 53.35 C ATOM 704 CE1 HIS A2055 3.675 0.005 3.112 1.00 2.35 C ATOM 705 NE2 HIS A2055 2.566 -0.749 2.865 1.00 65.13 N ATOM 0 H HIS A2055 0.385 -0.797 7.090 1.00 71.21 H new ATOM 0 HA HIS A2055 2.050 -2.848 6.122 1.00 10.43 H new ATOM 0 HB2 HIS A2055 2.338 -0.020 6.964 1.00 3.51 H new ATOM 0 HB3 HIS A2055 3.799 -0.988 6.926 1.00 3.51 H new ATOM 0 HD1 HIS A2055 4.630 0.513 4.902 1.00 62.34 H new ATOM 0 HD2 HIS A2055 1.210 -1.813 4.143 1.00 53.35 H new ATOM 0 HE1 HIS A2055 4.285 0.497 2.369 1.00 2.35 H new ATOM 714 N ALA A2056 2.418 -2.147 9.318 1.00 1.10 N ATOM 715 CA ALA A2056 2.918 -2.676 10.576 1.00 21.24 C ATOM 716 C ALA A2056 2.405 -4.106 10.761 1.00 32.14 C ATOM 717 O ALA A2056 3.182 -5.015 11.050 1.00 50.20 O ATOM 718 CB ALA A2056 2.498 -1.754 11.721 1.00 53.53 C ATOM 0 H ALA A2056 1.961 -1.238 9.389 1.00 1.10 H new ATOM 0 HA ALA A2056 4.007 -2.713 10.571 1.00 21.24 H new ATOM 0 HB1 ALA A2056 2.873 -2.151 12.664 1.00 53.53 H new ATOM 0 HB2 ALA A2056 2.911 -0.759 11.557 1.00 53.53 H new ATOM 0 HB3 ALA A2056 1.410 -1.694 11.760 1.00 53.53 H new ATOM 724 N MET A2057 1.101 -4.261 10.590 1.00 23.12 N ATOM 725 CA MET A2057 0.476 -5.564 10.735 1.00 1.31 C ATOM 726 C MET A2057 1.220 -6.623 9.916 1.00 14.22 C ATOM 727 O MET A2057 1.392 -7.754 10.368 1.00 74.33 O ATOM 728 CB MET A2057 -0.979 -5.488 10.268 1.00 2.05 C ATOM 729 CG MET A2057 -1.203 -6.355 9.028 1.00 44.23 C ATOM 730 SD MET A2057 -2.919 -6.290 8.540 1.00 51.14 S ATOM 731 CE MET A2057 -2.775 -6.794 6.833 1.00 14.23 C ATOM 0 H MET A2057 0.459 -3.505 10.352 1.00 23.12 H new ATOM 0 HA MET A2057 0.515 -5.850 11.786 1.00 1.31 H new ATOM 0 HB2 MET A2057 -1.640 -5.817 11.070 1.00 2.05 H new ATOM 0 HB3 MET A2057 -1.239 -4.453 10.045 1.00 2.05 H new ATOM 0 HG2 MET A2057 -0.571 -6.007 8.211 1.00 44.23 H new ATOM 0 HG3 MET A2057 -0.915 -7.385 9.237 1.00 44.23 H new ATOM 0 HE1 MET A2057 -3.637 -7.402 6.559 1.00 14.23 H new ATOM 0 HE2 MET A2057 -2.736 -5.911 6.195 1.00 14.23 H new ATOM 0 HE3 MET A2057 -1.864 -7.377 6.702 1.00 14.23 H new ATOM 741 N MET A2058 1.642 -6.218 8.729 1.00 65.53 N ATOM 742 CA MET A2058 2.362 -7.117 7.842 1.00 22.00 C ATOM 743 C MET A2058 3.751 -7.436 8.400 1.00 25.30 C ATOM 744 O MET A2058 4.275 -8.528 8.182 1.00 73.51 O ATOM 745 CB MET A2058 2.501 -6.472 6.462 1.00 53.14 C ATOM 746 CG MET A2058 1.132 -6.293 5.801 1.00 53.34 C ATOM 747 SD MET A2058 1.112 -7.098 4.209 1.00 62.12 S ATOM 748 CE MET A2058 -0.629 -7.463 4.067 1.00 74.45 C ATOM 0 H MET A2058 1.500 -5.278 8.359 1.00 65.53 H new ATOM 0 HA MET A2058 1.799 -8.047 7.761 1.00 22.00 H new ATOM 0 HB2 MET A2058 2.993 -5.504 6.557 1.00 53.14 H new ATOM 0 HB3 MET A2058 3.136 -7.092 5.829 1.00 53.14 H new ATOM 0 HG2 MET A2058 0.354 -6.712 6.439 1.00 53.34 H new ATOM 0 HG3 MET A2058 0.912 -5.232 5.684 1.00 53.34 H new ATOM 0 HE1 MET A2058 -0.813 -8.003 3.138 1.00 74.45 H new ATOM 0 HE2 MET A2058 -0.942 -8.077 4.911 1.00 74.45 H new ATOM 0 HE3 MET A2058 -1.197 -6.533 4.065 1.00 74.45 H new ATOM 758 N GLU A2059 4.310 -6.463 9.104 1.00 33.42 N ATOM 759 CA GLU A2059 5.627 -6.627 9.694 1.00 62.54 C ATOM 760 C GLU A2059 5.544 -7.503 10.944 1.00 12.33 C ATOM 761 O GLU A2059 6.114 -8.592 10.982 1.00 35.35 O ATOM 762 CB GLU A2059 6.258 -5.271 10.013 1.00 20.52 C ATOM 763 CG GLU A2059 5.957 -4.252 8.911 1.00 42.00 C ATOM 764 CD GLU A2059 5.927 -4.925 7.538 1.00 25.43 C ATOM 765 OE1 GLU A2059 6.754 -5.806 7.260 1.00 1.21 O ATOM 766 OE2 GLU A2059 5.002 -4.501 6.745 1.00 22.34 O ATOM 0 H GLU A2059 3.874 -5.558 9.279 1.00 33.42 H new ATOM 0 HA GLU A2059 6.269 -7.126 8.968 1.00 62.54 H new ATOM 0 HB2 GLU A2059 5.877 -4.904 10.966 1.00 20.52 H new ATOM 0 HB3 GLU A2059 7.336 -5.385 10.123 1.00 20.52 H new ATOM 0 HG2 GLU A2059 4.998 -3.772 9.106 1.00 42.00 H new ATOM 0 HG3 GLU A2059 6.714 -3.467 8.919 1.00 42.00 H new ATOM 774 N ARG A2060 4.830 -6.994 11.938 1.00 23.14 N ATOM 775 CA ARG A2060 4.666 -7.716 13.187 1.00 14.13 C ATOM 776 C ARG A2060 3.744 -8.922 12.988 1.00 45.34 C ATOM 777 O ARG A2060 3.736 -9.842 13.802 1.00 30.31 O ATOM 778 CB ARG A2060 4.081 -6.811 14.274 1.00 23.42 C ATOM 779 CG ARG A2060 2.660 -6.370 13.914 1.00 62.12 C ATOM 780 CD ARG A2060 2.111 -5.390 14.953 1.00 63.24 C ATOM 781 NE ARG A2060 0.865 -4.768 14.451 1.00 41.51 N ATOM 782 CZ ARG A2060 0.333 -3.632 14.951 1.00 71.12 C ATOM 783 NH1 ARG A2060 0.933 -2.986 15.972 1.00 32.25 N ATOM 784 NH2 ARG A2060 -0.783 -3.164 14.425 1.00 61.54 N ATOM 0 H ARG A2060 4.359 -6.090 11.903 1.00 23.14 H new ATOM 0 HA ARG A2060 5.652 -8.056 13.504 1.00 14.13 H new ATOM 0 HB2 ARG A2060 4.071 -7.341 15.227 1.00 23.42 H new ATOM 0 HB3 ARG A2060 4.716 -5.935 14.403 1.00 23.42 H new ATOM 0 HG2 ARG A2060 2.659 -5.901 12.930 1.00 62.12 H new ATOM 0 HG3 ARG A2060 2.009 -7.242 13.852 1.00 62.12 H new ATOM 0 HD2 ARG A2060 1.915 -5.912 15.890 1.00 63.24 H new ATOM 0 HD3 ARG A2060 2.852 -4.620 15.166 1.00 63.24 H new ATOM 0 HE ARG A2060 0.378 -5.226 13.680 1.00 41.51 H new ATOM 0 HH11 ARG A2060 1.795 -3.355 16.372 1.00 32.25 H new ATOM 0 HH12 ARG A2060 0.524 -2.129 16.343 1.00 32.25 H new ATOM 0 HH21 ARG A2060 -1.230 -3.659 13.653 1.00 61.54 H new ATOM 0 HH22 ARG A2060 -1.199 -2.307 14.790 1.00 61.54 H new ATOM 796 N GLY A2061 2.993 -8.877 11.897 1.00 53.13 N ATOM 797 CA GLY A2061 2.070 -9.953 11.579 1.00 2.44 C ATOM 798 C GLY A2061 2.437 -10.615 10.249 1.00 13.45 C ATOM 799 O GLY A2061 1.799 -10.362 9.230 1.00 4.25 O ATOM 0 H GLY A2061 3.005 -8.112 11.222 1.00 53.13 H new ATOM 0 HA2 GLY A2061 2.084 -10.697 12.376 1.00 2.44 H new ATOM 0 HA3 GLY A2061 1.054 -9.562 11.527 1.00 2.44 H new ATOM 803 N PRO A2062 3.493 -11.472 10.307 1.00 63.42 N ATOM 804 CA PRO A2062 3.954 -12.171 9.120 1.00 24.42 C ATOM 805 C PRO A2062 3.002 -13.313 8.753 1.00 2.25 C ATOM 806 O PRO A2062 1.857 -13.341 9.203 1.00 44.45 O ATOM 807 CB PRO A2062 5.353 -12.652 9.464 1.00 52.21 C ATOM 808 CG PRO A2062 5.446 -12.610 10.980 1.00 14.45 C ATOM 809 CD PRO A2062 4.273 -11.794 11.498 1.00 15.50 C ATOM 0 HA PRO A2062 3.974 -11.533 8.237 1.00 24.42 H new ATOM 0 HB2 PRO A2062 5.522 -13.662 9.090 1.00 52.21 H new ATOM 0 HB3 PRO A2062 6.109 -12.013 9.008 1.00 52.21 H new ATOM 0 HG2 PRO A2062 5.420 -13.619 11.392 1.00 14.45 H new ATOM 0 HG3 PRO A2062 6.390 -12.162 11.292 1.00 14.45 H new ATOM 0 HD2 PRO A2062 3.682 -12.362 12.217 1.00 15.50 H new ATOM 0 HD3 PRO A2062 4.612 -10.891 12.006 1.00 15.50 H new ATOM 817 N GLN A2063 3.512 -14.226 7.940 1.00 24.52 N ATOM 818 CA GLN A2063 2.723 -15.366 7.509 1.00 2.23 C ATOM 819 C GLN A2063 3.626 -16.581 7.274 1.00 72.35 C ATOM 820 O GLN A2063 3.675 -17.491 8.100 1.00 15.10 O ATOM 821 CB GLN A2063 1.918 -15.033 6.250 1.00 2.13 C ATOM 822 CG GLN A2063 0.807 -16.059 6.021 1.00 33.31 C ATOM 823 CD GLN A2063 -0.526 -15.556 6.579 1.00 14.02 C ATOM 824 OE1 GLN A2063 -0.639 -14.456 7.095 1.00 25.43 O ATOM 825 NE2 GLN A2063 -1.529 -16.423 6.450 1.00 45.25 N ATOM 0 H GLN A2063 4.462 -14.199 7.569 1.00 24.52 H new ATOM 0 HA GLN A2063 2.015 -15.610 8.301 1.00 2.23 H new ATOM 0 HB2 GLN A2063 1.484 -14.037 6.344 1.00 2.13 H new ATOM 0 HB3 GLN A2063 2.581 -15.011 5.385 1.00 2.13 H new ATOM 0 HG2 GLN A2063 0.706 -16.260 4.954 1.00 33.31 H new ATOM 0 HG3 GLN A2063 1.073 -17.002 6.499 1.00 33.31 H new ATOM 0 HE21 GLN A2063 -1.367 -17.328 6.008 1.00 45.25 H new ATOM 0 HE22 GLN A2063 -2.459 -16.182 6.793 1.00 45.25 H new ATOM 834 N THR A2064 4.318 -16.553 6.146 1.00 22.44 N ATOM 835 CA THR A2064 5.217 -17.640 5.792 1.00 55.32 C ATOM 836 C THR A2064 6.256 -17.162 4.777 1.00 44.13 C ATOM 837 O THR A2064 6.222 -16.013 4.340 1.00 33.41 O ATOM 838 CB THR A2064 4.371 -18.810 5.290 1.00 35.21 C ATOM 839 OG1 THR A2064 3.503 -18.223 4.323 1.00 51.00 O ATOM 840 CG2 THR A2064 3.420 -19.347 6.362 1.00 35.33 C ATOM 0 H THR A2064 4.275 -15.795 5.464 1.00 22.44 H new ATOM 0 HA THR A2064 5.786 -17.980 6.657 1.00 55.32 H new ATOM 0 HB THR A2064 5.027 -19.611 4.950 1.00 35.21 H new ATOM 0 HG1 THR A2064 2.920 -18.914 3.945 1.00 51.00 H new ATOM 0 HG21 THR A2064 2.843 -20.177 5.954 1.00 35.33 H new ATOM 0 HG22 THR A2064 3.997 -19.694 7.219 1.00 35.33 H new ATOM 0 HG23 THR A2064 2.742 -18.554 6.677 1.00 35.33 H new ATOM 848 N LEU A2065 7.158 -18.070 4.430 1.00 21.02 N ATOM 849 CA LEU A2065 8.204 -17.756 3.472 1.00 13.42 C ATOM 850 C LEU A2065 7.574 -17.461 2.110 1.00 2.45 C ATOM 851 O LEU A2065 8.140 -16.720 1.307 1.00 5.54 O ATOM 852 CB LEU A2065 9.250 -18.873 3.439 1.00 40.34 C ATOM 853 CG LEU A2065 10.701 -18.442 3.664 1.00 12.43 C ATOM 854 CD1 LEU A2065 11.062 -17.247 2.779 1.00 53.14 C ATOM 855 CD2 LEU A2065 10.963 -18.158 5.145 1.00 12.15 C ATOM 0 H LEU A2065 7.185 -19.022 4.795 1.00 21.02 H new ATOM 0 HA LEU A2065 8.740 -16.856 3.774 1.00 13.42 H new ATOM 0 HB2 LEU A2065 8.989 -19.610 4.198 1.00 40.34 H new ATOM 0 HB3 LEU A2065 9.187 -19.374 2.473 1.00 40.34 H new ATOM 0 HG LEU A2065 11.352 -19.266 3.373 1.00 12.43 H new ATOM 0 HD11 LEU A2065 12.098 -16.961 2.959 1.00 53.14 H new ATOM 0 HD12 LEU A2065 10.937 -17.520 1.731 1.00 53.14 H new ATOM 0 HD13 LEU A2065 10.408 -16.408 3.016 1.00 53.14 H new ATOM 0 HD21 LEU A2065 12.001 -17.854 5.279 1.00 12.15 H new ATOM 0 HD22 LEU A2065 10.304 -17.359 5.484 1.00 12.15 H new ATOM 0 HD23 LEU A2065 10.771 -19.059 5.728 1.00 12.15 H new ATOM 867 N LYS A2066 6.412 -18.057 1.891 1.00 54.42 N ATOM 868 CA LYS A2066 5.698 -17.868 0.640 1.00 60.13 C ATOM 869 C LYS A2066 5.219 -16.417 0.546 1.00 60.54 C ATOM 870 O LYS A2066 5.267 -15.811 -0.524 1.00 4.22 O ATOM 871 CB LYS A2066 4.574 -18.896 0.501 1.00 33.02 C ATOM 872 CG LYS A2066 5.135 -20.276 0.153 1.00 33.01 C ATOM 873 CD LYS A2066 4.213 -21.012 -0.822 1.00 41.40 C ATOM 874 CE LYS A2066 4.250 -22.521 -0.577 1.00 4.33 C ATOM 875 NZ LYS A2066 2.999 -23.154 -1.052 1.00 31.32 N ATOM 0 H LYS A2066 5.947 -18.672 2.559 1.00 54.42 H new ATOM 0 HA LYS A2066 6.362 -18.042 -0.207 1.00 60.13 H new ATOM 0 HB2 LYS A2066 4.011 -18.953 1.432 1.00 33.02 H new ATOM 0 HB3 LYS A2066 3.877 -18.576 -0.274 1.00 33.02 H new ATOM 0 HG2 LYS A2066 6.126 -20.169 -0.288 1.00 33.01 H new ATOM 0 HG3 LYS A2066 5.253 -20.865 1.063 1.00 33.01 H new ATOM 0 HD2 LYS A2066 3.192 -20.646 -0.709 1.00 41.40 H new ATOM 0 HD3 LYS A2066 4.517 -20.799 -1.847 1.00 41.40 H new ATOM 0 HE2 LYS A2066 5.105 -22.958 -1.093 1.00 4.33 H new ATOM 0 HE3 LYS A2066 4.384 -22.720 0.486 1.00 4.33 H new ATOM 0 HZ1 LYS A2066 3.041 -24.179 -0.878 1.00 31.32 H new ATOM 0 HZ2 LYS A2066 2.189 -22.749 -0.541 1.00 31.32 H new ATOM 0 HZ3 LYS A2066 2.887 -22.980 -2.071 1.00 31.32 H new ATOM 888 N GLU A2067 4.767 -15.902 1.680 1.00 22.45 N ATOM 889 CA GLU A2067 4.279 -14.533 1.739 1.00 25.44 C ATOM 890 C GLU A2067 5.452 -13.554 1.763 1.00 71.22 C ATOM 891 O GLU A2067 5.315 -12.403 1.347 1.00 22.45 O ATOM 892 CB GLU A2067 3.366 -14.330 2.949 1.00 53.52 C ATOM 893 CG GLU A2067 1.914 -14.671 2.607 1.00 22.11 C ATOM 894 CD GLU A2067 1.420 -13.837 1.423 1.00 34.33 C ATOM 895 OE1 GLU A2067 1.296 -12.608 1.538 1.00 12.14 O ATOM 896 OE2 GLU A2067 1.162 -14.510 0.352 1.00 35.53 O ATOM 0 H GLU A2067 4.728 -16.407 2.565 1.00 22.45 H new ATOM 0 HA GLU A2067 3.688 -14.337 0.844 1.00 25.44 H new ATOM 0 HB2 GLU A2067 3.705 -14.957 3.774 1.00 53.52 H new ATOM 0 HB3 GLU A2067 3.430 -13.296 3.287 1.00 53.52 H new ATOM 0 HG2 GLU A2067 1.832 -15.732 2.369 1.00 22.11 H new ATOM 0 HG3 GLU A2067 1.280 -14.489 3.475 1.00 22.11 H new ATOM 904 N THR A2068 6.580 -14.042 2.258 1.00 54.35 N ATOM 905 CA THR A2068 7.776 -13.221 2.343 1.00 21.25 C ATOM 906 C THR A2068 8.121 -12.636 0.973 1.00 54.14 C ATOM 907 O THR A2068 8.714 -11.561 0.884 1.00 24.33 O ATOM 908 CB THR A2068 8.897 -14.080 2.933 1.00 32.33 C ATOM 909 OG1 THR A2068 8.646 -14.060 4.336 1.00 32.33 O ATOM 910 CG2 THR A2068 10.272 -13.426 2.792 1.00 13.24 C ATOM 0 H THR A2068 6.691 -14.995 2.604 1.00 54.35 H new ATOM 0 HA THR A2068 7.620 -12.364 2.999 1.00 21.25 H new ATOM 0 HB THR A2068 8.906 -15.053 2.442 1.00 32.33 H new ATOM 0 HG1 THR A2068 7.883 -14.640 4.540 1.00 32.33 H new ATOM 0 HG21 THR A2068 11.031 -14.077 3.227 1.00 13.24 H new ATOM 0 HG22 THR A2068 10.492 -13.266 1.737 1.00 13.24 H new ATOM 0 HG23 THR A2068 10.274 -12.468 3.312 1.00 13.24 H new ATOM 918 N SER A2069 7.733 -13.366 -0.063 1.00 71.34 N ATOM 919 CA SER A2069 7.991 -12.930 -1.425 1.00 45.31 C ATOM 920 C SER A2069 7.048 -11.784 -1.796 1.00 5.13 C ATOM 921 O SER A2069 7.446 -10.851 -2.493 1.00 14.12 O ATOM 922 CB SER A2069 7.832 -14.089 -2.412 1.00 44.44 C ATOM 923 OG SER A2069 9.090 -14.576 -2.870 1.00 0.14 O ATOM 0 H SER A2069 7.242 -14.257 0.014 1.00 71.34 H new ATOM 0 HA SER A2069 9.021 -12.577 -1.482 1.00 45.31 H new ATOM 0 HB2 SER A2069 7.282 -14.899 -1.934 1.00 44.44 H new ATOM 0 HB3 SER A2069 7.238 -13.760 -3.265 1.00 44.44 H new ATOM 0 HG SER A2069 8.946 -15.316 -3.496 1.00 0.14 H new ATOM 929 N PHE A2070 5.819 -11.891 -1.315 1.00 24.23 N ATOM 930 CA PHE A2070 4.818 -10.875 -1.588 1.00 70.54 C ATOM 931 C PHE A2070 5.224 -9.529 -0.983 1.00 63.15 C ATOM 932 O PHE A2070 5.229 -8.511 -1.673 1.00 64.01 O ATOM 933 CB PHE A2070 3.515 -11.342 -0.933 1.00 65.03 C ATOM 934 CG PHE A2070 2.382 -10.316 -1.000 1.00 42.34 C ATOM 935 CD1 PHE A2070 1.544 -10.297 -2.070 1.00 51.21 C ATOM 936 CD2 PHE A2070 2.213 -9.425 0.013 1.00 12.25 C ATOM 937 CE1 PHE A2070 0.493 -9.343 -2.131 1.00 12.05 C ATOM 938 CE2 PHE A2070 1.161 -8.472 -0.047 1.00 13.10 C ATOM 939 CZ PHE A2070 0.323 -8.452 -1.117 1.00 24.03 C ATOM 0 H PHE A2070 5.493 -12.666 -0.738 1.00 24.23 H new ATOM 0 HA PHE A2070 4.708 -10.742 -2.664 1.00 70.54 H new ATOM 0 HB2 PHE A2070 3.187 -12.262 -1.416 1.00 65.03 H new ATOM 0 HB3 PHE A2070 3.712 -11.583 0.112 1.00 65.03 H new ATOM 0 HD1 PHE A2070 1.677 -11.007 -2.873 1.00 51.21 H new ATOM 0 HD2 PHE A2070 2.879 -9.442 0.863 1.00 12.25 H new ATOM 0 HE1 PHE A2070 -0.171 -9.325 -2.982 1.00 12.05 H new ATOM 0 HE2 PHE A2070 1.027 -7.764 0.757 1.00 13.10 H new ATOM 0 HZ PHE A2070 -0.478 -7.729 -1.162 1.00 24.03 H new ATOM 949 N ASN A2071 5.553 -9.568 0.299 1.00 20.42 N ATOM 950 CA ASN A2071 5.959 -8.365 1.003 1.00 35.13 C ATOM 951 C ASN A2071 7.255 -7.832 0.391 1.00 54.30 C ATOM 952 O ASN A2071 7.502 -6.626 0.403 1.00 4.44 O ATOM 953 CB ASN A2071 6.220 -8.654 2.483 1.00 12.21 C ATOM 954 CG ASN A2071 6.537 -7.367 3.247 1.00 74.11 C ATOM 955 OD1 ASN A2071 7.664 -7.106 3.635 1.00 72.01 O ATOM 956 ND2 ASN A2071 5.484 -6.578 3.439 1.00 62.55 N ATOM 0 H ASN A2071 5.547 -10.414 0.869 1.00 20.42 H new ATOM 0 HA ASN A2071 5.154 -7.636 0.914 1.00 35.13 H new ATOM 0 HB2 ASN A2071 5.347 -9.136 2.922 1.00 12.21 H new ATOM 0 HB3 ASN A2071 7.051 -9.352 2.579 1.00 12.21 H new ATOM 0 HD21 ASN A2071 5.593 -5.695 3.937 1.00 62.55 H new ATOM 0 HD22 ASN A2071 4.568 -6.856 3.088 1.00 62.55 H new ATOM 963 N GLN A2072 8.050 -8.756 -0.131 1.00 32.02 N ATOM 964 CA GLN A2072 9.313 -8.394 -0.748 1.00 5.43 C ATOM 965 C GLN A2072 9.078 -7.837 -2.153 1.00 41.33 C ATOM 966 O GLN A2072 9.647 -6.809 -2.520 1.00 72.24 O ATOM 967 CB GLN A2072 10.267 -9.591 -0.786 1.00 71.42 C ATOM 968 CG GLN A2072 11.064 -9.696 0.515 1.00 33.52 C ATOM 969 CD GLN A2072 12.258 -10.639 0.351 1.00 12.43 C ATOM 970 OE1 GLN A2072 12.161 -11.843 0.524 1.00 72.34 O ATOM 971 NE2 GLN A2072 13.387 -10.027 0.009 1.00 43.44 N ATOM 0 H GLN A2072 7.842 -9.755 -0.139 1.00 32.02 H new ATOM 0 HA GLN A2072 9.780 -7.616 -0.144 1.00 5.43 H new ATOM 0 HB2 GLN A2072 9.700 -10.508 -0.945 1.00 71.42 H new ATOM 0 HB3 GLN A2072 10.951 -9.489 -1.629 1.00 71.42 H new ATOM 0 HG2 GLN A2072 11.415 -8.708 0.812 1.00 33.52 H new ATOM 0 HG3 GLN A2072 10.417 -10.058 1.314 1.00 33.52 H new ATOM 0 HE21 GLN A2072 13.400 -9.015 -0.120 1.00 43.44 H new ATOM 0 HE22 GLN A2072 14.241 -10.569 -0.124 1.00 43.44 H new ATOM 980 N ALA A2073 8.238 -8.537 -2.901 1.00 35.15 N ATOM 981 CA ALA A2073 7.922 -8.123 -4.258 1.00 21.52 C ATOM 982 C ALA A2073 7.680 -6.614 -4.283 1.00 23.04 C ATOM 983 O ALA A2073 8.196 -5.913 -5.152 1.00 30.52 O ATOM 984 CB ALA A2073 6.715 -8.917 -4.764 1.00 12.44 C ATOM 0 H ALA A2073 7.767 -9.388 -2.594 1.00 35.15 H new ATOM 0 HA ALA A2073 8.755 -8.333 -4.928 1.00 21.52 H new ATOM 0 HB1 ALA A2073 6.477 -8.608 -5.782 1.00 12.44 H new ATOM 0 HB2 ALA A2073 6.949 -9.981 -4.754 1.00 12.44 H new ATOM 0 HB3 ALA A2073 5.858 -8.728 -4.117 1.00 12.44 H new ATOM 990 N TYR A2074 6.894 -6.157 -3.319 1.00 74.33 N ATOM 991 CA TYR A2074 6.575 -4.743 -3.220 1.00 2.10 C ATOM 992 C TYR A2074 7.449 -4.057 -2.167 1.00 0.23 C ATOM 993 O TYR A2074 7.571 -2.833 -2.157 1.00 21.21 O ATOM 994 CB TYR A2074 5.114 -4.669 -2.777 1.00 54.11 C ATOM 995 CG TYR A2074 4.161 -5.507 -3.633 1.00 61.01 C ATOM 996 CD1 TYR A2074 4.002 -5.215 -4.974 1.00 32.33 C ATOM 997 CD2 TYR A2074 3.461 -6.552 -3.067 1.00 13.41 C ATOM 998 CE1 TYR A2074 3.105 -6.004 -5.780 1.00 4.12 C ATOM 999 CE2 TYR A2074 2.564 -7.338 -3.872 1.00 4.11 C ATOM 1000 CZ TYR A2074 2.432 -7.026 -5.189 1.00 24.24 C ATOM 1001 OH TYR A2074 1.586 -7.771 -5.950 1.00 71.03 O ATOM 0 H TYR A2074 6.469 -6.741 -2.599 1.00 74.33 H new ATOM 0 HA TYR A2074 6.748 -4.243 -4.173 1.00 2.10 H new ATOM 0 HB2 TYR A2074 5.042 -5.000 -1.741 1.00 54.11 H new ATOM 0 HB3 TYR A2074 4.789 -3.629 -2.802 1.00 54.11 H new ATOM 0 HD1 TYR A2074 4.549 -4.396 -5.418 1.00 32.33 H new ATOM 0 HD2 TYR A2074 3.586 -6.780 -2.019 1.00 13.41 H new ATOM 0 HE1 TYR A2074 2.971 -5.788 -6.830 1.00 4.12 H new ATOM 0 HE2 TYR A2074 2.008 -8.157 -3.440 1.00 4.11 H new ATOM 0 HH TYR A2074 1.548 -8.685 -5.598 1.00 71.03 H new ATOM 1011 N GLY A2075 8.037 -4.876 -1.308 1.00 41.20 N ATOM 1012 CA GLY A2075 8.896 -4.364 -0.253 1.00 5.31 C ATOM 1013 C GLY A2075 9.752 -3.201 -0.759 1.00 41.34 C ATOM 1014 O GLY A2075 10.124 -2.318 0.011 1.00 71.51 O ATOM 0 H GLY A2075 7.936 -5.891 -1.321 1.00 41.20 H new ATOM 0 HA2 GLY A2075 8.287 -4.033 0.588 1.00 5.31 H new ATOM 0 HA3 GLY A2075 9.541 -5.162 0.115 1.00 5.31 H new ATOM 1018 N ARG A2076 10.036 -3.237 -2.052 1.00 1.42 N ATOM 1019 CA ARG A2076 10.840 -2.195 -2.671 1.00 65.02 C ATOM 1020 C ARG A2076 9.989 -0.952 -2.933 1.00 34.33 C ATOM 1021 O ARG A2076 10.403 0.165 -2.624 1.00 52.45 O ATOM 1022 CB ARG A2076 11.445 -2.678 -3.992 1.00 52.23 C ATOM 1023 CG ARG A2076 12.297 -1.583 -4.636 1.00 3.13 C ATOM 1024 CD ARG A2076 13.445 -1.166 -3.714 1.00 65.22 C ATOM 1025 NE ARG A2076 14.538 -0.563 -4.507 1.00 50.30 N ATOM 1026 CZ ARG A2076 15.444 0.307 -4.010 1.00 53.14 C ATOM 1027 NH1 ARG A2076 15.392 0.684 -2.714 1.00 62.32 N ATOM 1028 NH2 ARG A2076 16.378 0.786 -4.810 1.00 1.45 N ATOM 0 H ARG A2076 9.724 -3.970 -2.689 1.00 1.42 H new ATOM 0 HA ARG A2076 11.648 -1.947 -1.983 1.00 65.02 H new ATOM 0 HB2 ARG A2076 12.057 -3.563 -3.814 1.00 52.23 H new ATOM 0 HB3 ARG A2076 10.648 -2.973 -4.675 1.00 52.23 H new ATOM 0 HG2 ARG A2076 12.699 -1.941 -5.584 1.00 3.13 H new ATOM 0 HG3 ARG A2076 11.674 -0.717 -4.860 1.00 3.13 H new ATOM 0 HD2 ARG A2076 13.086 -0.452 -2.973 1.00 65.22 H new ATOM 0 HD3 ARG A2076 13.817 -2.033 -3.168 1.00 65.22 H new ATOM 0 HE ARG A2076 14.612 -0.820 -5.491 1.00 50.30 H new ATOM 0 HH11 ARG A2076 14.665 0.311 -2.103 1.00 62.32 H new ATOM 0 HH12 ARG A2076 16.080 1.341 -2.346 1.00 62.32 H new ATOM 0 HH21 ARG A2076 16.408 0.498 -5.788 1.00 1.45 H new ATOM 0 HH22 ARG A2076 17.069 1.444 -4.450 1.00 1.45 H new ATOM 1040 N ASP A2077 8.814 -1.187 -3.500 1.00 34.22 N ATOM 1041 CA ASP A2077 7.900 -0.101 -3.806 1.00 54.23 C ATOM 1042 C ASP A2077 7.506 0.611 -2.510 1.00 23.50 C ATOM 1043 O ASP A2077 7.701 1.817 -2.374 1.00 22.22 O ATOM 1044 CB ASP A2077 6.623 -0.624 -4.466 1.00 64.15 C ATOM 1045 CG ASP A2077 6.832 -1.332 -5.807 1.00 33.02 C ATOM 1046 OD1 ASP A2077 7.143 -2.531 -5.854 1.00 13.13 O ATOM 1047 OD2 ASP A2077 6.658 -0.591 -6.848 1.00 44.30 O ATOM 0 H ASP A2077 8.475 -2.114 -3.755 1.00 34.22 H new ATOM 0 HA ASP A2077 8.405 0.581 -4.490 1.00 54.23 H new ATOM 0 HB2 ASP A2077 6.134 -1.315 -3.780 1.00 64.15 H new ATOM 0 HB3 ASP A2077 5.941 0.213 -4.616 1.00 64.15 H new ATOM 1053 N LEU A2078 6.957 -0.169 -1.589 1.00 35.31 N ATOM 1054 CA LEU A2078 6.534 0.370 -0.308 1.00 54.11 C ATOM 1055 C LEU A2078 7.686 1.163 0.313 1.00 62.32 C ATOM 1056 O LEU A2078 7.487 2.274 0.804 1.00 2.05 O ATOM 1057 CB LEU A2078 5.999 -0.746 0.593 1.00 4.41 C ATOM 1058 CG LEU A2078 4.615 -1.289 0.235 1.00 23.43 C ATOM 1059 CD1 LEU A2078 4.604 -1.876 -1.177 1.00 50.53 C ATOM 1060 CD2 LEU A2078 4.138 -2.303 1.278 1.00 33.14 C ATOM 0 H LEU A2078 6.796 -1.169 -1.705 1.00 35.31 H new ATOM 0 HA LEU A2078 5.705 1.065 -0.442 1.00 54.11 H new ATOM 0 HB2 LEU A2078 6.708 -1.573 0.574 1.00 4.41 H new ATOM 0 HB3 LEU A2078 5.969 -0.376 1.618 1.00 4.41 H new ATOM 0 HG LEU A2078 3.910 -0.458 0.245 1.00 23.43 H new ATOM 0 HD11 LEU A2078 3.608 -2.255 -1.406 1.00 50.53 H new ATOM 0 HD12 LEU A2078 4.871 -1.101 -1.895 1.00 50.53 H new ATOM 0 HD13 LEU A2078 5.325 -2.691 -1.238 1.00 50.53 H new ATOM 0 HD21 LEU A2078 3.151 -2.674 1.000 1.00 33.14 H new ATOM 0 HD22 LEU A2078 4.840 -3.136 1.323 1.00 33.14 H new ATOM 0 HD23 LEU A2078 4.083 -1.822 2.255 1.00 33.14 H new ATOM 1072 N MET A2079 8.866 0.560 0.273 1.00 62.15 N ATOM 1073 CA MET A2079 10.049 1.195 0.826 1.00 43.14 C ATOM 1074 C MET A2079 10.202 2.624 0.297 1.00 74.13 C ATOM 1075 O MET A2079 10.404 3.558 1.072 1.00 41.05 O ATOM 1076 CB MET A2079 11.288 0.380 0.454 1.00 12.15 C ATOM 1077 CG MET A2079 12.564 1.063 0.948 1.00 44.35 C ATOM 1078 SD MET A2079 13.770 -0.165 1.427 1.00 70.14 S ATOM 1079 CE MET A2079 12.872 -0.992 2.727 1.00 72.24 C ATOM 0 H MET A2079 9.027 -0.361 -0.134 1.00 62.15 H new ATOM 0 HA MET A2079 9.942 1.237 1.910 1.00 43.14 H new ATOM 0 HB2 MET A2079 11.215 -0.618 0.887 1.00 12.15 H new ATOM 0 HB3 MET A2079 11.334 0.255 -0.628 1.00 12.15 H new ATOM 0 HG2 MET A2079 12.973 1.699 0.163 1.00 44.35 H new ATOM 0 HG3 MET A2079 12.335 1.710 1.795 1.00 44.35 H new ATOM 0 HE1 MET A2079 13.555 -1.241 3.540 1.00 72.24 H new ATOM 0 HE2 MET A2079 12.086 -0.335 3.101 1.00 72.24 H new ATOM 0 HE3 MET A2079 12.425 -1.906 2.336 1.00 72.24 H new ATOM 1089 N GLU A2080 10.100 2.748 -1.019 1.00 13.13 N ATOM 1090 CA GLU A2080 10.225 4.046 -1.660 1.00 1.33 C ATOM 1091 C GLU A2080 8.997 4.907 -1.357 1.00 62.02 C ATOM 1092 O GLU A2080 9.128 6.069 -0.975 1.00 32.45 O ATOM 1093 CB GLU A2080 10.432 3.895 -3.167 1.00 25.32 C ATOM 1094 CG GLU A2080 10.588 5.261 -3.840 1.00 73.12 C ATOM 1095 CD GLU A2080 11.048 5.109 -5.291 1.00 20.11 C ATOM 1096 OE1 GLU A2080 10.272 5.382 -6.218 1.00 64.43 O ATOM 1097 OE2 GLU A2080 12.259 4.691 -5.437 1.00 42.14 O ATOM 0 H GLU A2080 9.932 1.971 -1.658 1.00 13.13 H new ATOM 0 HA GLU A2080 11.104 4.547 -1.255 1.00 1.33 H new ATOM 0 HB2 GLU A2080 11.318 3.289 -3.357 1.00 25.32 H new ATOM 0 HB3 GLU A2080 9.584 3.366 -3.603 1.00 25.32 H new ATOM 0 HG2 GLU A2080 9.639 5.795 -3.810 1.00 73.12 H new ATOM 0 HG3 GLU A2080 11.310 5.862 -3.287 1.00 73.12 H new ATOM 1105 N ALA A2081 7.832 4.304 -1.544 1.00 53.21 N ATOM 1106 CA ALA A2081 6.581 5.002 -1.295 1.00 31.23 C ATOM 1107 C ALA A2081 6.597 5.580 0.121 1.00 72.24 C ATOM 1108 O ALA A2081 6.208 6.730 0.330 1.00 45.31 O ATOM 1109 CB ALA A2081 5.410 4.045 -1.519 1.00 22.35 C ATOM 0 H ALA A2081 7.728 3.341 -1.865 1.00 53.21 H new ATOM 0 HA ALA A2081 6.461 5.834 -1.989 1.00 31.23 H new ATOM 0 HB1 ALA A2081 4.472 4.568 -1.332 1.00 22.35 H new ATOM 0 HB2 ALA A2081 5.426 3.685 -2.548 1.00 22.35 H new ATOM 0 HB3 ALA A2081 5.496 3.199 -0.837 1.00 22.35 H new ATOM 1115 N GLN A2082 7.050 4.761 1.056 1.00 24.23 N ATOM 1116 CA GLN A2082 7.122 5.179 2.446 1.00 3.33 C ATOM 1117 C GLN A2082 8.086 6.356 2.597 1.00 52.34 C ATOM 1118 O GLN A2082 7.832 7.274 3.375 1.00 54.21 O ATOM 1119 CB GLN A2082 7.535 4.013 3.348 1.00 12.45 C ATOM 1120 CG GLN A2082 7.154 4.284 4.805 1.00 71.12 C ATOM 1121 CD GLN A2082 8.305 3.929 5.747 1.00 53.13 C ATOM 1122 OE1 GLN A2082 9.462 3.884 5.367 1.00 4.12 O ATOM 1123 NE2 GLN A2082 7.922 3.681 6.999 1.00 0.42 N ATOM 0 H GLN A2082 7.371 3.809 0.880 1.00 24.23 H new ATOM 0 HA GLN A2082 6.130 5.505 2.759 1.00 3.33 H new ATOM 0 HB2 GLN A2082 7.053 3.097 3.007 1.00 12.45 H new ATOM 0 HB3 GLN A2082 8.611 3.854 3.273 1.00 12.45 H new ATOM 0 HG2 GLN A2082 6.891 5.335 4.926 1.00 71.12 H new ATOM 0 HG3 GLN A2082 6.271 3.702 5.068 1.00 71.12 H new ATOM 0 HE21 GLN A2082 6.935 3.736 7.251 1.00 0.42 H new ATOM 0 HE22 GLN A2082 8.616 3.436 7.705 1.00 0.42 H new ATOM 1132 N GLU A2083 9.173 6.291 1.843 1.00 13.04 N ATOM 1133 CA GLU A2083 10.177 7.342 1.883 1.00 33.45 C ATOM 1134 C GLU A2083 9.563 8.678 1.460 1.00 15.43 C ATOM 1135 O GLU A2083 9.907 9.725 2.008 1.00 3.14 O ATOM 1136 CB GLU A2083 11.379 6.987 1.005 1.00 31.41 C ATOM 1137 CG GLU A2083 11.606 8.050 -0.069 1.00 21.34 C ATOM 1138 CD GLU A2083 12.847 7.728 -0.905 1.00 63.13 C ATOM 1139 OE1 GLU A2083 13.877 7.316 -0.353 1.00 5.31 O ATOM 1140 OE2 GLU A2083 12.714 7.919 -2.174 1.00 33.35 O ATOM 0 H GLU A2083 9.381 5.527 1.200 1.00 13.04 H new ATOM 0 HA GLU A2083 10.535 7.437 2.908 1.00 33.45 H new ATOM 0 HB2 GLU A2083 12.271 6.894 1.624 1.00 31.41 H new ATOM 0 HB3 GLU A2083 11.216 6.018 0.534 1.00 31.41 H new ATOM 0 HG2 GLU A2083 10.732 8.110 -0.717 1.00 21.34 H new ATOM 0 HG3 GLU A2083 11.722 9.027 0.400 1.00 21.34 H new ATOM 1148 N TRP A2084 8.667 8.599 0.487 1.00 3.13 N ATOM 1149 CA TRP A2084 8.005 9.788 -0.019 1.00 74.13 C ATOM 1150 C TRP A2084 6.948 10.211 1.005 1.00 53.41 C ATOM 1151 O TRP A2084 6.587 11.385 1.081 1.00 35.34 O ATOM 1152 CB TRP A2084 7.421 9.543 -1.410 1.00 65.43 C ATOM 1153 CG TRP A2084 8.474 9.279 -2.488 1.00 64.20 C ATOM 1154 CD1 TRP A2084 8.844 8.101 -3.011 1.00 11.40 C ATOM 1155 CD2 TRP A2084 9.285 10.267 -3.160 1.00 42.03 C ATOM 1156 NE1 TRP A2084 9.828 8.256 -3.964 1.00 41.54 N ATOM 1157 CE2 TRP A2084 10.105 9.616 -4.058 1.00 23.01 C ATOM 1158 CE3 TRP A2084 9.323 11.666 -3.014 1.00 22.54 C ATOM 1159 CZ2 TRP A2084 11.023 10.281 -4.880 1.00 4.41 C ATOM 1160 CZ3 TRP A2084 10.246 12.315 -3.841 1.00 33.12 C ATOM 1161 CH2 TRP A2084 11.078 11.673 -4.750 1.00 44.23 C ATOM 0 H TRP A2084 8.384 7.729 0.036 1.00 3.13 H new ATOM 0 HA TRP A2084 8.719 10.602 -0.143 1.00 74.13 H new ATOM 0 HB2 TRP A2084 6.742 8.692 -1.363 1.00 65.43 H new ATOM 0 HB3 TRP A2084 6.827 10.409 -1.701 1.00 65.43 H new ATOM 0 HD1 TRP A2084 8.423 7.149 -2.722 1.00 11.40 H new ATOM 0 HE1 TRP A2084 10.271 7.511 -4.501 1.00 41.54 H new ATOM 0 HE3 TRP A2084 8.690 12.197 -2.319 1.00 22.54 H new ATOM 0 HZ2 TRP A2084 11.654 9.749 -5.576 1.00 4.41 H new ATOM 0 HZ3 TRP A2084 10.317 13.390 -3.768 1.00 33.12 H new ATOM 0 HH2 TRP A2084 11.765 12.247 -5.354 1.00 44.23 H new ATOM 1172 N CYS A2085 6.485 9.232 1.768 1.00 42.13 N ATOM 1173 CA CYS A2085 5.477 9.489 2.784 1.00 43.52 C ATOM 1174 C CYS A2085 6.121 10.312 3.900 1.00 12.25 C ATOM 1175 O CYS A2085 5.671 11.418 4.199 1.00 52.11 O ATOM 1176 CB CYS A2085 4.865 8.191 3.313 1.00 23.42 C ATOM 1177 SG CYS A2085 4.014 7.303 1.958 1.00 60.31 S ATOM 0 H CYS A2085 6.788 8.260 1.704 1.00 42.13 H new ATOM 0 HA CYS A2085 4.652 10.052 2.348 1.00 43.52 H new ATOM 0 HB2 CYS A2085 5.644 7.559 3.740 1.00 23.42 H new ATOM 0 HB3 CYS A2085 4.159 8.412 4.114 1.00 23.42 H new ATOM 0 HG CYS A2085 4.866 7.032 1.014 1.00 60.31 H new ATOM 1183 N ARG A2086 7.162 9.743 4.489 1.00 20.04 N ATOM 1184 CA ARG A2086 7.872 10.410 5.567 1.00 21.23 C ATOM 1185 C ARG A2086 8.549 11.682 5.048 1.00 3.24 C ATOM 1186 O ARG A2086 8.742 12.636 5.800 1.00 73.11 O ATOM 1187 CB ARG A2086 8.929 9.491 6.182 1.00 50.20 C ATOM 1188 CG ARG A2086 10.136 9.345 5.252 1.00 72.22 C ATOM 1189 CD ARG A2086 10.614 7.892 5.199 1.00 4.23 C ATOM 1190 NE ARG A2086 10.922 7.409 6.564 1.00 70.32 N ATOM 1191 CZ ARG A2086 11.996 7.802 7.280 1.00 4.42 C ATOM 1192 NH1 ARG A2086 12.877 8.687 6.767 1.00 25.54 N ATOM 1193 NH2 ARG A2086 12.172 7.305 8.491 1.00 43.54 N ATOM 0 H ARG A2086 7.532 8.826 4.240 1.00 20.04 H new ATOM 0 HA ARG A2086 7.143 10.669 6.335 1.00 21.23 H new ATOM 0 HB2 ARG A2086 9.252 9.893 7.142 1.00 50.20 H new ATOM 0 HB3 ARG A2086 8.495 8.510 6.377 1.00 50.20 H new ATOM 0 HG2 ARG A2086 9.870 9.681 4.250 1.00 72.22 H new ATOM 0 HG3 ARG A2086 10.947 9.986 5.599 1.00 72.22 H new ATOM 0 HD2 ARG A2086 9.846 7.264 4.747 1.00 4.23 H new ATOM 0 HD3 ARG A2086 11.500 7.815 4.569 1.00 4.23 H new ATOM 0 HE ARG A2086 10.283 6.738 6.990 1.00 70.32 H new ATOM 0 HH11 ARG A2086 12.734 9.065 5.830 1.00 25.54 H new ATOM 0 HH12 ARG A2086 13.686 8.978 7.316 1.00 25.54 H new ATOM 0 HH21 ARG A2086 11.502 6.636 8.870 1.00 43.54 H new ATOM 0 HH22 ARG A2086 12.978 7.590 9.047 1.00 43.54 H new ATOM 1205 N LYS A2087 8.892 11.651 3.770 1.00 62.43 N ATOM 1206 CA LYS A2087 9.542 12.789 3.143 1.00 44.13 C ATOM 1207 C LYS A2087 8.535 13.932 3.000 1.00 2.13 C ATOM 1208 O LYS A2087 8.903 15.102 3.095 1.00 52.02 O ATOM 1209 CB LYS A2087 10.192 12.374 1.822 1.00 62.02 C ATOM 1210 CG LYS A2087 10.658 13.599 1.031 1.00 64.41 C ATOM 1211 CD LYS A2087 9.557 14.093 0.089 1.00 52.23 C ATOM 1212 CE LYS A2087 10.154 14.661 -1.201 1.00 23.52 C ATOM 1213 NZ LYS A2087 9.985 16.130 -1.247 1.00 14.05 N ATOM 0 H LYS A2087 8.732 10.856 3.151 1.00 62.43 H new ATOM 0 HA LYS A2087 10.354 13.156 3.770 1.00 44.13 H new ATOM 0 HB2 LYS A2087 11.041 11.720 2.020 1.00 62.02 H new ATOM 0 HB3 LYS A2087 9.481 11.801 1.227 1.00 62.02 H new ATOM 0 HG2 LYS A2087 10.938 14.396 1.719 1.00 64.41 H new ATOM 0 HG3 LYS A2087 11.549 13.348 0.455 1.00 64.41 H new ATOM 0 HD2 LYS A2087 8.882 13.271 -0.149 1.00 52.23 H new ATOM 0 HD3 LYS A2087 8.963 14.859 0.588 1.00 52.23 H new ATOM 0 HE2 LYS A2087 11.213 14.409 -1.261 1.00 23.52 H new ATOM 0 HE3 LYS A2087 9.669 14.206 -2.064 1.00 23.52 H new ATOM 0 HZ1 LYS A2087 10.395 16.499 -2.128 1.00 14.05 H new ATOM 0 HZ2 LYS A2087 8.972 16.364 -1.212 1.00 14.05 H new ATOM 0 HZ3 LYS A2087 10.468 16.561 -0.433 1.00 14.05 H new ATOM 1226 N TYR A2088 7.286 13.554 2.774 1.00 3.23 N ATOM 1227 CA TYR A2088 6.224 14.533 2.618 1.00 3.42 C ATOM 1228 C TYR A2088 5.796 15.099 3.973 1.00 4.51 C ATOM 1229 O TYR A2088 5.629 16.308 4.119 1.00 55.44 O ATOM 1230 CB TYR A2088 5.046 13.781 1.997 1.00 22.21 C ATOM 1231 CG TYR A2088 3.690 14.452 2.223 1.00 73.23 C ATOM 1232 CD1 TYR A2088 3.257 15.441 1.365 1.00 50.54 C ATOM 1233 CD2 TYR A2088 2.898 14.068 3.288 1.00 45.44 C ATOM 1234 CE1 TYR A2088 1.981 16.075 1.577 1.00 12.21 C ATOM 1235 CE2 TYR A2088 1.622 14.701 3.501 1.00 21.34 C ATOM 1236 CZ TYR A2088 1.227 15.673 2.635 1.00 14.31 C ATOM 1237 OH TYR A2088 0.022 16.270 2.837 1.00 23.33 O ATOM 0 H TYR A2088 6.985 12.583 2.695 1.00 3.23 H new ATOM 0 HA TYR A2088 6.559 15.368 2.002 1.00 3.42 H new ATOM 0 HB2 TYR A2088 5.216 13.682 0.925 1.00 22.21 H new ATOM 0 HB3 TYR A2088 5.014 12.773 2.410 1.00 22.21 H new ATOM 0 HD1 TYR A2088 3.876 15.741 0.532 1.00 50.54 H new ATOM 0 HD2 TYR A2088 3.236 13.293 3.961 1.00 45.44 H new ATOM 0 HE1 TYR A2088 1.632 16.851 0.912 1.00 12.21 H new ATOM 0 HE2 TYR A2088 0.993 14.411 4.329 1.00 21.34 H new ATOM 0 HH TYR A2088 -0.407 15.882 3.628 1.00 23.33 H new ATOM 1247 N MET A2089 5.630 14.196 4.929 1.00 53.53 N ATOM 1248 CA MET A2089 5.226 14.591 6.267 1.00 51.54 C ATOM 1249 C MET A2089 6.249 15.540 6.892 1.00 12.33 C ATOM 1250 O MET A2089 5.880 16.508 7.558 1.00 23.00 O ATOM 1251 CB MET A2089 5.079 13.346 7.145 1.00 1.12 C ATOM 1252 CG MET A2089 3.912 12.477 6.672 1.00 53.40 C ATOM 1253 SD MET A2089 3.199 11.608 8.059 1.00 41.02 S ATOM 1254 CE MET A2089 1.467 11.922 7.763 1.00 22.14 C ATOM 0 H MET A2089 5.768 13.193 4.803 1.00 53.53 H new ATOM 0 HA MET A2089 4.271 15.112 6.198 1.00 51.54 H new ATOM 0 HB2 MET A2089 6.002 12.767 7.119 1.00 1.12 H new ATOM 0 HB3 MET A2089 4.919 13.644 8.181 1.00 1.12 H new ATOM 0 HG2 MET A2089 3.155 13.099 6.193 1.00 53.40 H new ATOM 0 HG3 MET A2089 4.258 11.764 5.924 1.00 53.40 H new ATOM 0 HE1 MET A2089 1.073 12.563 8.552 1.00 22.14 H new ATOM 0 HE2 MET A2089 1.346 12.417 6.799 1.00 22.14 H new ATOM 0 HE3 MET A2089 0.922 10.978 7.757 1.00 22.14 H new ATOM 1264 N LYS A2090 7.516 15.231 6.659 1.00 1.04 N ATOM 1265 CA LYS A2090 8.596 16.043 7.192 1.00 31.42 C ATOM 1266 C LYS A2090 8.513 17.449 6.594 1.00 21.32 C ATOM 1267 O LYS A2090 8.411 18.433 7.325 1.00 33.52 O ATOM 1268 CB LYS A2090 9.945 15.357 6.965 1.00 53.03 C ATOM 1269 CG LYS A2090 10.909 15.648 8.117 1.00 61.11 C ATOM 1270 CD LYS A2090 11.374 17.105 8.088 1.00 43.10 C ATOM 1271 CE LYS A2090 11.284 17.737 9.477 1.00 73.35 C ATOM 1272 NZ LYS A2090 12.608 17.735 10.137 1.00 13.33 N ATOM 0 H LYS A2090 7.819 14.428 6.107 1.00 1.04 H new ATOM 0 HA LYS A2090 8.496 16.148 8.272 1.00 31.42 H new ATOM 0 HB2 LYS A2090 9.799 14.281 6.872 1.00 53.03 H new ATOM 0 HB3 LYS A2090 10.379 15.702 6.027 1.00 53.03 H new ATOM 0 HG2 LYS A2090 10.419 15.438 9.068 1.00 61.11 H new ATOM 0 HG3 LYS A2090 11.772 14.986 8.050 1.00 61.11 H new ATOM 0 HD2 LYS A2090 12.401 17.155 7.728 1.00 43.10 H new ATOM 0 HD3 LYS A2090 10.762 17.672 7.386 1.00 43.10 H new ATOM 0 HE2 LYS A2090 10.915 18.759 9.394 1.00 73.35 H new ATOM 0 HE3 LYS A2090 10.567 17.187 10.087 1.00 73.35 H new ATOM 0 HZ1 LYS A2090 12.527 18.168 11.079 1.00 13.33 H new ATOM 0 HZ2 LYS A2090 12.946 16.756 10.234 1.00 13.33 H new ATOM 0 HZ3 LYS A2090 13.283 18.279 9.563 1.00 13.33 H new ATOM 1285 N SER A2091 8.559 17.499 5.271 1.00 5.13 N ATOM 1286 CA SER A2091 8.491 18.768 4.568 1.00 44.00 C ATOM 1287 C SER A2091 8.611 18.538 3.061 1.00 5.11 C ATOM 1288 O SER A2091 9.670 18.765 2.477 1.00 23.23 O ATOM 1289 CB SER A2091 9.584 19.724 5.048 1.00 52.02 C ATOM 1290 OG SER A2091 9.050 20.816 5.792 1.00 22.35 O ATOM 0 H SER A2091 8.643 16.681 4.668 1.00 5.13 H new ATOM 0 HA SER A2091 7.526 19.227 4.784 1.00 44.00 H new ATOM 0 HB2 SER A2091 10.297 19.178 5.666 1.00 52.02 H new ATOM 0 HB3 SER A2091 10.135 20.106 4.188 1.00 52.02 H new ATOM 0 HG SER A2091 8.632 20.480 6.612 1.00 22.35 H new ATOM 1296 N GLY A2092 7.512 18.090 2.471 1.00 15.00 N ATOM 1297 CA GLY A2092 7.483 17.826 1.043 1.00 30.42 C ATOM 1298 C GLY A2092 6.350 18.602 0.366 1.00 32.31 C ATOM 1299 O GLY A2092 5.991 19.693 0.807 1.00 64.30 O ATOM 0 H GLY A2092 6.635 17.903 2.957 1.00 15.00 H new ATOM 0 HA2 GLY A2092 8.438 18.107 0.598 1.00 30.42 H new ATOM 0 HA3 GLY A2092 7.352 16.758 0.869 1.00 30.42 H new ATOM 1303 N ASN A2093 5.820 18.009 -0.693 1.00 23.35 N ATOM 1304 CA ASN A2093 4.737 18.630 -1.435 1.00 60.22 C ATOM 1305 C ASN A2093 3.746 17.553 -1.881 1.00 11.42 C ATOM 1306 O ASN A2093 3.919 16.377 -1.565 1.00 72.35 O ATOM 1307 CB ASN A2093 5.260 19.337 -2.687 1.00 33.12 C ATOM 1308 CG ASN A2093 5.292 20.854 -2.485 1.00 65.13 C ATOM 1309 OD1 ASN A2093 4.289 21.540 -2.583 1.00 63.42 O ATOM 1310 ND2 ASN A2093 6.499 21.336 -2.204 1.00 13.14 N ATOM 0 H ASN A2093 6.121 17.104 -1.055 1.00 23.35 H new ATOM 0 HA ASN A2093 4.258 19.360 -0.782 1.00 60.22 H new ATOM 0 HB2 ASN A2093 6.261 18.976 -2.922 1.00 33.12 H new ATOM 0 HB3 ASN A2093 4.626 19.093 -3.539 1.00 33.12 H new ATOM 0 HD21 ASN A2093 6.627 22.337 -2.056 1.00 13.14 H new ATOM 0 HD22 ASN A2093 7.297 20.705 -2.137 1.00 13.14 H new ATOM 1317 N VAL A2094 2.728 17.994 -2.606 1.00 4.10 N ATOM 1318 CA VAL A2094 1.709 17.082 -3.099 1.00 53.02 C ATOM 1319 C VAL A2094 2.310 16.193 -4.189 1.00 11.32 C ATOM 1320 O VAL A2094 2.032 14.996 -4.242 1.00 3.02 O ATOM 1321 CB VAL A2094 0.487 17.869 -3.574 1.00 14.52 C ATOM 1322 CG1 VAL A2094 0.554 18.126 -5.082 1.00 2.34 C ATOM 1323 CG2 VAL A2094 -0.810 17.152 -3.196 1.00 31.22 C ATOM 0 H VAL A2094 2.587 18.971 -2.864 1.00 4.10 H new ATOM 0 HA VAL A2094 1.364 16.426 -2.299 1.00 53.02 H new ATOM 0 HB VAL A2094 0.493 18.835 -3.068 1.00 14.52 H new ATOM 0 HG11 VAL A2094 -0.326 18.687 -5.395 1.00 2.34 H new ATOM 0 HG12 VAL A2094 1.451 18.700 -5.314 1.00 2.34 H new ATOM 0 HG13 VAL A2094 0.585 17.174 -5.612 1.00 2.34 H new ATOM 0 HG21 VAL A2094 -1.663 17.734 -3.546 1.00 31.22 H new ATOM 0 HG22 VAL A2094 -0.829 16.166 -3.660 1.00 31.22 H new ATOM 0 HG23 VAL A2094 -0.864 17.045 -2.113 1.00 31.22 H new ATOM 1333 N LYS A2095 3.122 16.812 -5.032 1.00 50.23 N ATOM 1334 CA LYS A2095 3.765 16.092 -6.118 1.00 75.44 C ATOM 1335 C LYS A2095 4.423 14.828 -5.567 1.00 15.41 C ATOM 1336 O LYS A2095 4.246 13.742 -6.116 1.00 4.33 O ATOM 1337 CB LYS A2095 4.730 17.010 -6.872 1.00 31.12 C ATOM 1338 CG LYS A2095 5.699 17.697 -5.908 1.00 23.54 C ATOM 1339 CD LYS A2095 7.074 17.026 -5.944 1.00 53.01 C ATOM 1340 CE LYS A2095 7.934 17.473 -4.759 1.00 64.01 C ATOM 1341 NZ LYS A2095 9.091 16.567 -4.588 1.00 31.22 N ATOM 0 H LYS A2095 3.350 17.805 -4.985 1.00 50.23 H new ATOM 0 HA LYS A2095 3.026 15.772 -6.853 1.00 75.44 H new ATOM 0 HB2 LYS A2095 5.291 16.430 -7.605 1.00 31.12 H new ATOM 0 HB3 LYS A2095 4.166 17.762 -7.424 1.00 31.12 H new ATOM 0 HG2 LYS A2095 5.797 18.750 -6.173 1.00 23.54 H new ATOM 0 HG3 LYS A2095 5.298 17.659 -4.895 1.00 23.54 H new ATOM 0 HD2 LYS A2095 6.955 15.943 -5.923 1.00 53.01 H new ATOM 0 HD3 LYS A2095 7.579 17.273 -6.878 1.00 53.01 H new ATOM 0 HE2 LYS A2095 8.284 18.493 -4.920 1.00 64.01 H new ATOM 0 HE3 LYS A2095 7.334 17.482 -3.849 1.00 64.01 H new ATOM 0 HZ1 LYS A2095 9.784 17.005 -3.948 1.00 31.22 H new ATOM 0 HZ2 LYS A2095 8.769 15.665 -4.184 1.00 31.22 H new ATOM 0 HZ3 LYS A2095 9.535 16.393 -5.512 1.00 31.22 H new ATOM 1354 N ASP A2096 5.170 15.010 -4.487 1.00 72.31 N ATOM 1355 CA ASP A2096 5.856 13.896 -3.854 1.00 1.43 C ATOM 1356 C ASP A2096 4.822 12.930 -3.271 1.00 11.22 C ATOM 1357 O ASP A2096 4.961 11.716 -3.401 1.00 13.44 O ATOM 1358 CB ASP A2096 6.751 14.379 -2.710 1.00 21.31 C ATOM 1359 CG ASP A2096 6.177 14.168 -1.307 1.00 64.22 C ATOM 1360 OD1 ASP A2096 5.870 15.134 -0.592 1.00 45.33 O ATOM 1361 OD2 ASP A2096 6.045 12.935 -0.951 1.00 40.14 O ATOM 0 H ASP A2096 5.315 15.913 -4.034 1.00 72.31 H new ATOM 0 HA ASP A2096 6.470 13.405 -4.609 1.00 1.43 H new ATOM 0 HB2 ASP A2096 7.709 13.863 -2.776 1.00 21.31 H new ATOM 0 HB3 ASP A2096 6.951 15.442 -2.849 1.00 21.31 H new ATOM 1367 N LEU A2097 3.810 13.508 -2.642 1.00 13.43 N ATOM 1368 CA LEU A2097 2.754 12.714 -2.038 1.00 32.43 C ATOM 1369 C LEU A2097 2.087 11.856 -3.116 1.00 41.22 C ATOM 1370 O LEU A2097 1.873 10.662 -2.919 1.00 33.12 O ATOM 1371 CB LEU A2097 1.778 13.612 -1.274 1.00 31.53 C ATOM 1372 CG LEU A2097 0.444 12.970 -0.881 1.00 1.54 C ATOM 1373 CD1 LEU A2097 0.641 11.515 -0.451 1.00 1.32 C ATOM 1374 CD2 LEU A2097 -0.264 13.795 0.196 1.00 2.42 C ATOM 0 H LEU A2097 3.699 14.517 -2.537 1.00 13.43 H new ATOM 0 HA LEU A2097 3.168 12.030 -1.297 1.00 32.43 H new ATOM 0 HB2 LEU A2097 2.271 13.963 -0.367 1.00 31.53 H new ATOM 0 HB3 LEU A2097 1.570 14.491 -1.884 1.00 31.53 H new ATOM 0 HG LEU A2097 -0.203 12.961 -1.758 1.00 1.54 H new ATOM 0 HD11 LEU A2097 -0.322 11.083 -0.177 1.00 1.32 H new ATOM 0 HD12 LEU A2097 1.072 10.947 -1.275 1.00 1.32 H new ATOM 0 HD13 LEU A2097 1.313 11.477 0.406 1.00 1.32 H new ATOM 0 HD21 LEU A2097 -1.209 13.318 0.457 1.00 2.42 H new ATOM 0 HD22 LEU A2097 0.369 13.857 1.081 1.00 2.42 H new ATOM 0 HD23 LEU A2097 -0.457 14.799 -0.183 1.00 2.42 H new ATOM 1386 N THR A2098 1.776 12.501 -4.231 1.00 23.31 N ATOM 1387 CA THR A2098 1.139 11.813 -5.341 1.00 70.51 C ATOM 1388 C THR A2098 2.013 10.655 -5.825 1.00 34.21 C ATOM 1389 O THR A2098 1.511 9.571 -6.113 1.00 42.23 O ATOM 1390 CB THR A2098 0.840 12.846 -6.429 1.00 71.14 C ATOM 1391 OG1 THR A2098 -0.237 13.612 -5.895 1.00 2.51 O ATOM 1392 CG2 THR A2098 0.257 12.212 -7.694 1.00 74.54 C ATOM 0 H THR A2098 1.953 13.493 -4.389 1.00 23.31 H new ATOM 0 HA THR A2098 0.196 11.360 -5.036 1.00 70.51 H new ATOM 0 HB THR A2098 1.755 13.383 -6.681 1.00 71.14 H new ATOM 0 HG1 THR A2098 0.114 14.275 -5.265 1.00 2.51 H new ATOM 0 HG21 THR A2098 0.063 12.988 -8.434 1.00 74.54 H new ATOM 0 HG22 THR A2098 0.967 11.492 -8.101 1.00 74.54 H new ATOM 0 HG23 THR A2098 -0.675 11.703 -7.449 1.00 74.54 H new ATOM 1400 N GLN A2099 3.308 10.927 -5.899 1.00 22.53 N ATOM 1401 CA GLN A2099 4.258 9.919 -6.343 1.00 51.54 C ATOM 1402 C GLN A2099 4.163 8.674 -5.462 1.00 2.21 C ATOM 1403 O GLN A2099 4.043 7.559 -5.968 1.00 3.22 O ATOM 1404 CB GLN A2099 5.683 10.478 -6.353 1.00 54.34 C ATOM 1405 CG GLN A2099 6.283 10.430 -7.759 1.00 52.04 C ATOM 1406 CD GLN A2099 7.810 10.363 -7.702 1.00 23.05 C ATOM 1407 OE1 GLN A2099 8.414 10.261 -6.647 1.00 14.22 O ATOM 1408 NE2 GLN A2099 8.398 10.423 -8.893 1.00 2.42 N ATOM 0 H GLN A2099 3.721 11.828 -5.660 1.00 22.53 H new ATOM 0 HA GLN A2099 4.006 9.635 -7.365 1.00 51.54 H new ATOM 0 HB2 GLN A2099 5.676 11.506 -5.992 1.00 54.34 H new ATOM 0 HB3 GLN A2099 6.307 9.904 -5.668 1.00 54.34 H new ATOM 0 HG2 GLN A2099 5.897 9.562 -8.293 1.00 52.04 H new ATOM 0 HG3 GLN A2099 5.975 11.312 -8.320 1.00 52.04 H new ATOM 0 HE21 GLN A2099 7.832 10.508 -9.737 1.00 2.42 H new ATOM 0 HE22 GLN A2099 9.415 10.384 -8.962 1.00 2.42 H new ATOM 1417 N ALA A2100 4.221 8.905 -4.159 1.00 23.42 N ATOM 1418 CA ALA A2100 4.142 7.814 -3.200 1.00 2.11 C ATOM 1419 C ALA A2100 2.846 7.033 -3.430 1.00 50.31 C ATOM 1420 O ALA A2100 2.863 5.806 -3.521 1.00 71.14 O ATOM 1421 CB ALA A2100 4.245 8.372 -1.780 1.00 62.43 C ATOM 0 H ALA A2100 4.322 9.831 -3.744 1.00 23.42 H new ATOM 0 HA ALA A2100 4.973 7.121 -3.336 1.00 2.11 H new ATOM 0 HB1 ALA A2100 4.186 7.554 -1.062 1.00 62.43 H new ATOM 0 HB2 ALA A2100 5.196 8.891 -1.661 1.00 62.43 H new ATOM 0 HB3 ALA A2100 3.427 9.070 -1.603 1.00 62.43 H new ATOM 1427 N TRP A2101 1.753 7.777 -3.514 1.00 32.23 N ATOM 1428 CA TRP A2101 0.449 7.170 -3.729 1.00 13.43 C ATOM 1429 C TRP A2101 0.521 6.341 -5.014 1.00 74.12 C ATOM 1430 O TRP A2101 -0.163 5.326 -5.138 1.00 61.11 O ATOM 1431 CB TRP A2101 -0.651 8.233 -3.763 1.00 24.13 C ATOM 1432 CG TRP A2101 -1.686 8.093 -2.644 1.00 63.05 C ATOM 1433 CD1 TRP A2101 -1.851 8.881 -1.572 1.00 30.32 C ATOM 1434 CD2 TRP A2101 -2.697 7.072 -2.531 1.00 3.22 C ATOM 1435 NE1 TRP A2101 -2.891 8.440 -0.780 1.00 55.34 N ATOM 1436 CE2 TRP A2101 -3.422 7.306 -1.381 1.00 31.05 C ATOM 1437 CE3 TRP A2101 -2.990 5.984 -3.372 1.00 64.45 C ATOM 1438 CZ2 TRP A2101 -4.487 6.497 -0.968 1.00 14.04 C ATOM 1439 CZ3 TRP A2101 -4.057 5.183 -2.945 1.00 51.45 C ATOM 1440 CH2 TRP A2101 -4.797 5.406 -1.790 1.00 12.31 C ATOM 0 H TRP A2101 1.743 8.794 -3.437 1.00 32.23 H new ATOM 0 HA TRP A2101 0.189 6.509 -2.902 1.00 13.43 H new ATOM 0 HB2 TRP A2101 -0.191 9.219 -3.698 1.00 24.13 H new ATOM 0 HB3 TRP A2101 -1.162 8.182 -4.725 1.00 24.13 H new ATOM 0 HD1 TRP A2101 -1.247 9.750 -1.356 1.00 30.32 H new ATOM 0 HE1 TRP A2101 -3.211 8.869 0.088 1.00 55.34 H new ATOM 0 HE3 TRP A2101 -2.436 5.782 -4.277 1.00 64.45 H new ATOM 0 HZ2 TRP A2101 -5.040 6.703 -0.064 1.00 14.04 H new ATOM 0 HZ3 TRP A2101 -4.323 4.333 -3.556 1.00 51.45 H new ATOM 0 HH2 TRP A2101 -5.607 4.742 -1.528 1.00 12.31 H new ATOM 1451 N ASP A2102 1.353 6.804 -5.933 1.00 22.00 N ATOM 1452 CA ASP A2102 1.523 6.117 -7.202 1.00 62.43 C ATOM 1453 C ASP A2102 2.172 4.753 -6.958 1.00 51.35 C ATOM 1454 O ASP A2102 1.696 3.737 -7.459 1.00 12.35 O ATOM 1455 CB ASP A2102 2.431 6.912 -8.143 1.00 11.02 C ATOM 1456 CG ASP A2102 2.080 6.803 -9.627 1.00 60.10 C ATOM 1457 OD1 ASP A2102 1.041 7.306 -10.078 1.00 30.10 O ATOM 1458 OD2 ASP A2102 2.938 6.159 -10.344 1.00 22.41 O ATOM 0 H ASP A2102 1.917 7.647 -5.825 1.00 22.00 H new ATOM 0 HA ASP A2102 0.539 6.007 -7.659 1.00 62.43 H new ATOM 0 HB2 ASP A2102 2.398 7.962 -7.854 1.00 11.02 H new ATOM 0 HB3 ASP A2102 3.458 6.575 -8.003 1.00 11.02 H new ATOM 1464 N LEU A2103 3.250 4.777 -6.187 1.00 74.31 N ATOM 1465 CA LEU A2103 3.969 3.556 -5.870 1.00 1.31 C ATOM 1466 C LEU A2103 2.993 2.529 -5.293 1.00 52.15 C ATOM 1467 O LEU A2103 2.922 1.398 -5.771 1.00 0.34 O ATOM 1468 CB LEU A2103 5.158 3.857 -4.954 1.00 13.43 C ATOM 1469 CG LEU A2103 6.416 4.392 -5.642 1.00 22.12 C ATOM 1470 CD1 LEU A2103 6.301 5.895 -5.903 1.00 32.34 C ATOM 1471 CD2 LEU A2103 7.670 4.044 -4.837 1.00 42.30 C ATOM 0 H LEU A2103 3.642 5.623 -5.773 1.00 74.31 H new ATOM 0 HA LEU A2103 4.394 3.119 -6.773 1.00 1.31 H new ATOM 0 HB2 LEU A2103 4.840 4.583 -4.206 1.00 13.43 H new ATOM 0 HB3 LEU A2103 5.420 2.944 -4.420 1.00 13.43 H new ATOM 0 HG LEU A2103 6.510 3.903 -6.612 1.00 22.12 H new ATOM 0 HD11 LEU A2103 7.208 6.250 -6.393 1.00 32.34 H new ATOM 0 HD12 LEU A2103 5.442 6.088 -6.546 1.00 32.34 H new ATOM 0 HD13 LEU A2103 6.171 6.420 -4.957 1.00 32.34 H new ATOM 0 HD21 LEU A2103 8.550 4.435 -5.347 1.00 42.30 H new ATOM 0 HD22 LEU A2103 7.599 4.487 -3.844 1.00 42.30 H new ATOM 0 HD23 LEU A2103 7.755 2.961 -4.746 1.00 42.30 H new ATOM 1483 N TYR A2104 2.265 2.960 -4.274 1.00 55.03 N ATOM 1484 CA TYR A2104 1.295 2.092 -3.627 1.00 5.35 C ATOM 1485 C TYR A2104 0.275 1.563 -4.635 1.00 13.53 C ATOM 1486 O TYR A2104 0.117 0.352 -4.787 1.00 64.14 O ATOM 1487 CB TYR A2104 0.575 2.961 -2.595 1.00 35.24 C ATOM 1488 CG TYR A2104 1.366 3.183 -1.305 1.00 72.11 C ATOM 1489 CD1 TYR A2104 1.974 2.115 -0.676 1.00 43.40 C ATOM 1490 CD2 TYR A2104 1.472 4.449 -0.768 1.00 22.31 C ATOM 1491 CE1 TYR A2104 2.720 2.323 0.539 1.00 44.41 C ATOM 1492 CE2 TYR A2104 2.216 4.659 0.446 1.00 2.51 C ATOM 1493 CZ TYR A2104 2.803 3.585 1.039 1.00 30.11 C ATOM 1494 OH TYR A2104 3.507 3.781 2.187 1.00 45.53 O ATOM 0 H TYR A2104 2.327 3.899 -3.880 1.00 55.03 H new ATOM 0 HA TYR A2104 1.789 1.232 -3.176 1.00 5.35 H new ATOM 0 HB2 TYR A2104 0.352 3.929 -3.043 1.00 35.24 H new ATOM 0 HB3 TYR A2104 -0.380 2.497 -2.348 1.00 35.24 H new ATOM 0 HD1 TYR A2104 1.890 1.123 -1.095 1.00 43.40 H new ATOM 0 HD2 TYR A2104 0.996 5.284 -1.260 1.00 22.31 H new ATOM 0 HE1 TYR A2104 3.202 1.497 1.041 1.00 44.41 H new ATOM 0 HE2 TYR A2104 2.306 5.646 0.876 1.00 2.51 H new ATOM 0 HH TYR A2104 3.729 4.731 2.276 1.00 45.53 H new ATOM 1504 N TYR A2105 -0.394 2.497 -5.295 1.00 41.02 N ATOM 1505 CA TYR A2105 -1.396 2.140 -6.287 1.00 61.32 C ATOM 1506 C TYR A2105 -0.847 1.111 -7.277 1.00 73.25 C ATOM 1507 O TYR A2105 -1.602 0.320 -7.838 1.00 61.15 O ATOM 1508 CB TYR A2105 -1.725 3.430 -7.039 1.00 54.51 C ATOM 1509 CG TYR A2105 -2.853 3.285 -8.062 1.00 55.43 C ATOM 1510 CD1 TYR A2105 -3.606 2.130 -8.097 1.00 63.51 C ATOM 1511 CD2 TYR A2105 -3.117 4.310 -8.948 1.00 13.11 C ATOM 1512 CE1 TYR A2105 -4.668 1.992 -9.060 1.00 31.10 C ATOM 1513 CE2 TYR A2105 -4.180 4.173 -9.910 1.00 24.13 C ATOM 1514 CZ TYR A2105 -4.903 3.021 -9.920 1.00 11.31 C ATOM 1515 OH TYR A2105 -5.905 2.892 -10.829 1.00 12.15 O ATOM 0 H TYR A2105 -0.263 3.500 -5.163 1.00 41.02 H new ATOM 0 HA TYR A2105 -2.271 1.702 -5.807 1.00 61.32 H new ATOM 0 HB2 TYR A2105 -2.000 4.199 -6.317 1.00 54.51 H new ATOM 0 HB3 TYR A2105 -0.828 3.779 -7.550 1.00 54.51 H new ATOM 0 HD1 TYR A2105 -3.399 1.329 -7.402 1.00 63.51 H new ATOM 0 HD2 TYR A2105 -2.527 5.214 -8.920 1.00 13.11 H new ATOM 0 HE1 TYR A2105 -5.265 1.093 -9.099 1.00 31.10 H new ATOM 0 HE2 TYR A2105 -4.398 4.968 -10.608 1.00 24.13 H new ATOM 0 HH TYR A2105 -5.958 3.704 -11.375 1.00 12.15 H new ATOM 1525 N HIS A2106 0.464 1.156 -7.460 1.00 72.23 N ATOM 1526 CA HIS A2106 1.124 0.239 -8.374 1.00 33.45 C ATOM 1527 C HIS A2106 1.109 -1.173 -7.783 1.00 42.15 C ATOM 1528 O HIS A2106 0.628 -2.111 -8.417 1.00 21.13 O ATOM 1529 CB HIS A2106 2.534 0.725 -8.710 1.00 13.22 C ATOM 1530 CG HIS A2106 3.099 0.140 -9.981 1.00 44.24 C ATOM 1531 ND1 HIS A2106 3.774 -1.068 -10.015 1.00 60.53 N ATOM 1532 CD2 HIS A2106 3.083 0.607 -11.263 1.00 43.31 C ATOM 1533 CE1 HIS A2106 4.143 -1.307 -11.266 1.00 62.01 C ATOM 1534 NE2 HIS A2106 3.713 -0.265 -12.036 1.00 1.23 N ATOM 0 H HIS A2106 1.087 1.813 -6.991 1.00 72.23 H new ATOM 0 HA HIS A2106 0.580 0.208 -9.318 1.00 33.45 H new ATOM 0 HB2 HIS A2106 2.522 1.811 -8.797 1.00 13.22 H new ATOM 0 HB3 HIS A2106 3.199 0.479 -7.882 1.00 13.22 H new ATOM 0 HD2 HIS A2106 2.633 1.532 -11.592 1.00 43.31 H new ATOM 0 HE1 HIS A2106 4.687 -2.173 -11.614 1.00 62.01 H new ATOM 0 HE2 HIS A2106 3.854 -0.173 -13.042 1.00 1.23 H new ATOM 1543 N VAL A2107 1.642 -1.279 -6.574 1.00 12.23 N ATOM 1544 CA VAL A2107 1.698 -2.559 -5.891 1.00 34.11 C ATOM 1545 C VAL A2107 0.273 -3.046 -5.613 1.00 71.31 C ATOM 1546 O VAL A2107 -0.037 -4.220 -5.815 1.00 13.42 O ATOM 1547 CB VAL A2107 2.546 -2.441 -4.622 1.00 61.54 C ATOM 1548 CG1 VAL A2107 3.806 -1.613 -4.882 1.00 72.41 C ATOM 1549 CG2 VAL A2107 1.729 -1.850 -3.471 1.00 12.24 C ATOM 0 H VAL A2107 2.039 -0.499 -6.051 1.00 12.23 H new ATOM 0 HA VAL A2107 2.182 -3.306 -6.521 1.00 34.11 H new ATOM 0 HB VAL A2107 2.858 -3.444 -4.331 1.00 61.54 H new ATOM 0 HG11 VAL A2107 4.392 -1.544 -3.965 1.00 72.41 H new ATOM 0 HG12 VAL A2107 4.403 -2.092 -5.658 1.00 72.41 H new ATOM 0 HG13 VAL A2107 3.523 -0.612 -5.208 1.00 72.41 H new ATOM 0 HG21 VAL A2107 2.354 -1.777 -2.581 1.00 12.24 H new ATOM 0 HG22 VAL A2107 1.375 -0.857 -3.748 1.00 12.24 H new ATOM 0 HG23 VAL A2107 0.875 -2.495 -3.262 1.00 12.24 H new ATOM 1559 N PHE A2108 -0.557 -2.119 -5.155 1.00 3.13 N ATOM 1560 CA PHE A2108 -1.941 -2.440 -4.848 1.00 43.54 C ATOM 1561 C PHE A2108 -2.714 -2.797 -6.118 1.00 65.35 C ATOM 1562 O PHE A2108 -3.663 -3.577 -6.072 1.00 20.14 O ATOM 1563 CB PHE A2108 -2.559 -1.189 -4.221 1.00 61.35 C ATOM 1564 CG PHE A2108 -2.293 -1.048 -2.721 1.00 52.51 C ATOM 1565 CD1 PHE A2108 -1.040 -0.764 -2.276 1.00 62.24 C ATOM 1566 CD2 PHE A2108 -3.310 -1.206 -1.833 1.00 20.31 C ATOM 1567 CE1 PHE A2108 -0.793 -0.633 -0.884 1.00 43.44 C ATOM 1568 CE2 PHE A2108 -3.064 -1.075 -0.440 1.00 32.23 C ATOM 1569 CZ PHE A2108 -1.809 -0.792 0.004 1.00 74.32 C ATOM 0 H PHE A2108 -0.298 -1.147 -4.989 1.00 3.13 H new ATOM 0 HA PHE A2108 -1.986 -3.297 -4.176 1.00 43.54 H new ATOM 0 HB2 PHE A2108 -2.170 -0.309 -4.733 1.00 61.35 H new ATOM 0 HB3 PHE A2108 -3.636 -1.205 -4.389 1.00 61.35 H new ATOM 0 HD1 PHE A2108 -0.232 -0.638 -2.982 1.00 62.24 H new ATOM 0 HD2 PHE A2108 -4.305 -1.431 -2.187 1.00 20.31 H new ATOM 0 HE1 PHE A2108 0.202 -0.407 -0.531 1.00 43.44 H new ATOM 0 HE2 PHE A2108 -3.872 -1.200 0.266 1.00 32.23 H new ATOM 0 HZ PHE A2108 -1.621 -0.694 1.063 1.00 74.32 H new ATOM 1579 N ARG A2109 -2.283 -2.204 -7.223 1.00 0.14 N ATOM 1580 CA ARG A2109 -2.925 -2.451 -8.503 1.00 1.52 C ATOM 1581 C ARG A2109 -2.478 -3.800 -9.069 1.00 63.42 C ATOM 1582 O ARG A2109 -3.221 -4.440 -9.814 1.00 44.24 O ATOM 1583 CB ARG A2109 -2.585 -1.348 -9.508 1.00 73.11 C ATOM 1584 CG ARG A2109 -2.978 -1.761 -10.928 1.00 21.11 C ATOM 1585 CD ARG A2109 -3.256 -0.536 -11.800 1.00 43.51 C ATOM 1586 NE ARG A2109 -3.527 -0.956 -13.193 1.00 53.45 N ATOM 1587 CZ ARG A2109 -4.751 -1.280 -13.659 1.00 23.42 C ATOM 1588 NH1 ARG A2109 -5.828 -1.238 -12.848 1.00 41.11 N ATOM 1589 NH2 ARG A2109 -4.880 -1.641 -14.924 1.00 3.42 N ATOM 0 H ARG A2109 -1.498 -1.554 -7.258 1.00 0.14 H new ATOM 0 HA ARG A2109 -4.002 -2.461 -8.339 1.00 1.52 H new ATOM 0 HB2 ARG A2109 -3.105 -0.430 -9.235 1.00 73.11 H new ATOM 0 HB3 ARG A2109 -1.517 -1.133 -9.470 1.00 73.11 H new ATOM 0 HG2 ARG A2109 -2.178 -2.354 -11.372 1.00 21.11 H new ATOM 0 HG3 ARG A2109 -3.864 -2.395 -10.894 1.00 21.11 H new ATOM 0 HD2 ARG A2109 -4.110 0.015 -11.405 1.00 43.51 H new ATOM 0 HD3 ARG A2109 -2.401 0.140 -11.775 1.00 43.51 H new ATOM 0 HE ARG A2109 -2.740 -1.003 -13.840 1.00 53.45 H new ATOM 0 HH11 ARG A2109 -5.721 -0.959 -11.873 1.00 41.11 H new ATOM 0 HH12 ARG A2109 -6.749 -1.485 -13.210 1.00 41.11 H new ATOM 0 HH21 ARG A2109 -4.061 -1.671 -15.532 1.00 3.42 H new ATOM 0 HH22 ARG A2109 -5.798 -1.889 -15.292 1.00 3.42 H new ATOM 1601 N ARG A2110 -1.272 -4.196 -8.695 1.00 15.42 N ATOM 1602 CA ARG A2110 -0.719 -5.457 -9.154 1.00 41.14 C ATOM 1603 C ARG A2110 -1.375 -6.626 -8.415 1.00 44.14 C ATOM 1604 O ARG A2110 -1.857 -7.569 -9.041 1.00 2.20 O ATOM 1605 CB ARG A2110 0.793 -5.511 -8.936 1.00 51.34 C ATOM 1606 CG ARG A2110 1.533 -4.727 -10.024 1.00 31.14 C ATOM 1607 CD ARG A2110 1.672 -5.560 -11.300 1.00 12.34 C ATOM 1608 NE ARG A2110 3.096 -5.889 -11.537 1.00 34.21 N ATOM 1609 CZ ARG A2110 3.520 -6.841 -12.396 1.00 15.10 C ATOM 1610 NH1 ARG A2110 2.631 -7.566 -13.107 1.00 13.22 N ATOM 1611 NH2 ARG A2110 4.815 -7.050 -12.529 1.00 43.14 N ATOM 0 H ARG A2110 -0.660 -3.663 -8.077 1.00 15.42 H new ATOM 0 HA ARG A2110 -0.923 -5.536 -10.222 1.00 41.14 H new ATOM 0 HB2 ARG A2110 1.038 -5.100 -7.957 1.00 51.34 H new ATOM 0 HB3 ARG A2110 1.128 -6.548 -8.939 1.00 51.34 H new ATOM 0 HG2 ARG A2110 0.994 -3.805 -10.244 1.00 31.14 H new ATOM 0 HG3 ARG A2110 2.521 -4.440 -9.663 1.00 31.14 H new ATOM 0 HD2 ARG A2110 1.088 -6.476 -11.211 1.00 12.34 H new ATOM 0 HD3 ARG A2110 1.271 -5.008 -12.150 1.00 12.34 H new ATOM 0 HE ARG A2110 3.801 -5.364 -11.019 1.00 34.21 H new ATOM 0 HH11 ARG A2110 1.631 -7.397 -12.998 1.00 13.22 H new ATOM 0 HH12 ARG A2110 2.959 -8.283 -13.754 1.00 13.22 H new ATOM 0 HH21 ARG A2110 5.479 -6.497 -11.988 1.00 43.14 H new ATOM 0 HH22 ARG A2110 5.153 -7.765 -13.173 1.00 43.14 H new ATOM 1623 N ILE A2111 -1.374 -6.523 -7.093 1.00 43.13 N ATOM 1624 CA ILE A2111 -1.964 -7.559 -6.263 1.00 54.42 C ATOM 1625 C ILE A2111 -3.319 -7.962 -6.843 1.00 45.11 C ATOM 1626 O ILE A2111 -3.705 -9.130 -6.779 1.00 75.33 O ATOM 1627 CB ILE A2111 -2.029 -7.103 -4.804 1.00 53.44 C ATOM 1628 CG1 ILE A2111 -2.654 -5.710 -4.694 1.00 75.03 C ATOM 1629 CG2 ILE A2111 -0.650 -7.165 -4.146 1.00 5.00 C ATOM 1630 CD1 ILE A2111 -2.782 -5.280 -3.231 1.00 13.14 C ATOM 0 H ILE A2111 -0.974 -5.739 -6.578 1.00 43.13 H new ATOM 0 HA ILE A2111 -1.339 -8.452 -6.266 1.00 54.42 H new ATOM 0 HB ILE A2111 -2.675 -7.792 -4.260 1.00 53.44 H new ATOM 0 HG12 ILE A2111 -2.042 -4.989 -5.236 1.00 75.03 H new ATOM 0 HG13 ILE A2111 -3.638 -5.711 -5.164 1.00 75.03 H new ATOM 0 HG21 ILE A2111 -0.726 -6.835 -3.110 1.00 5.00 H new ATOM 0 HG22 ILE A2111 -0.279 -8.189 -4.175 1.00 5.00 H new ATOM 0 HG23 ILE A2111 0.039 -6.514 -4.684 1.00 5.00 H new ATOM 0 HD11 ILE A2111 -3.229 -4.287 -3.181 1.00 13.14 H new ATOM 0 HD12 ILE A2111 -3.414 -5.990 -2.697 1.00 13.14 H new ATOM 0 HD13 ILE A2111 -1.794 -5.257 -2.771 1.00 13.14 H new ATOM 1642 N SER A2112 -4.008 -6.975 -7.398 1.00 11.11 N ATOM 1643 CA SER A2112 -5.313 -7.212 -7.989 1.00 50.31 C ATOM 1644 C SER A2112 -5.155 -7.871 -9.360 1.00 65.05 C ATOM 1645 O SER A2112 -5.832 -8.853 -9.664 1.00 1.24 O ATOM 1646 CB SER A2112 -6.108 -5.910 -8.114 1.00 74.01 C ATOM 1647 OG SER A2112 -5.255 -4.781 -8.287 1.00 31.34 O ATOM 0 H SER A2112 -3.686 -6.009 -7.450 1.00 11.11 H new ATOM 0 HA SER A2112 -5.868 -7.882 -7.332 1.00 50.31 H new ATOM 0 HB2 SER A2112 -6.791 -5.982 -8.960 1.00 74.01 H new ATOM 0 HB3 SER A2112 -6.719 -5.770 -7.222 1.00 74.01 H new ATOM 0 HG SER A2112 -4.694 -4.913 -9.079 1.00 31.34 H new ATOM 1653 N LYS A2113 -4.257 -7.305 -10.153 1.00 11.00 N ATOM 1654 CA LYS A2113 -4.001 -7.823 -11.486 1.00 73.12 C ATOM 1655 C LYS A2113 -3.978 -9.353 -11.437 1.00 21.31 C ATOM 1656 O LYS A2113 -3.216 -9.942 -10.671 1.00 63.11 O ATOM 1657 CB LYS A2113 -2.726 -7.209 -12.065 1.00 40.15 C ATOM 1658 CG LYS A2113 -3.030 -6.401 -13.329 1.00 3.01 C ATOM 1659 CD LYS A2113 -3.597 -5.025 -12.976 1.00 61.05 C ATOM 1660 CE LYS A2113 -5.039 -5.136 -12.477 1.00 73.41 C ATOM 1661 NZ LYS A2113 -5.662 -3.797 -12.390 1.00 75.33 N ATOM 0 H LYS A2113 -3.697 -6.492 -9.897 1.00 11.00 H new ATOM 0 HA LYS A2113 -4.803 -7.535 -12.166 1.00 73.12 H new ATOM 0 HB2 LYS A2113 -2.258 -6.564 -11.321 1.00 40.15 H new ATOM 0 HB3 LYS A2113 -2.011 -7.998 -12.297 1.00 40.15 H new ATOM 0 HG2 LYS A2113 -2.120 -6.283 -13.917 1.00 3.01 H new ATOM 0 HG3 LYS A2113 -3.743 -6.944 -13.949 1.00 3.01 H new ATOM 0 HD2 LYS A2113 -2.978 -4.559 -12.209 1.00 61.05 H new ATOM 0 HD3 LYS A2113 -3.561 -4.377 -13.852 1.00 61.05 H new ATOM 0 HE2 LYS A2113 -5.616 -5.769 -13.152 1.00 73.41 H new ATOM 0 HE3 LYS A2113 -5.055 -5.615 -11.498 1.00 73.41 H new ATOM 0 HZ1 LYS A2113 -6.441 -3.821 -11.701 1.00 75.33 H new ATOM 0 HZ2 LYS A2113 -4.951 -3.102 -12.085 1.00 75.33 H new ATOM 0 HZ3 LYS A2113 -6.033 -3.525 -13.323 1.00 75.33 H new ATOM 1674 N GLN A2114 -4.823 -9.952 -12.264 1.00 55.12 N ATOM 1675 CA GLN A2114 -4.909 -11.402 -12.324 1.00 51.53 C ATOM 1676 C GLN A2114 -3.714 -11.973 -13.089 1.00 73.02 C ATOM 1677 O GLN A2114 -2.792 -11.241 -13.445 1.00 53.44 O ATOM 1678 CB GLN A2114 -6.228 -11.846 -12.957 1.00 24.42 C ATOM 1679 CG GLN A2114 -7.336 -11.947 -11.905 1.00 63.13 C ATOM 1680 CD GLN A2114 -8.631 -12.476 -12.523 1.00 13.32 C ATOM 1681 OE1 GLN A2114 -8.690 -13.567 -13.065 1.00 63.22 O ATOM 1682 NE2 GLN A2114 -9.663 -11.646 -12.407 1.00 63.44 N ATOM 0 H GLN A2114 -5.453 -9.460 -12.897 1.00 55.12 H new ATOM 0 HA GLN A2114 -4.883 -11.791 -11.306 1.00 51.53 H new ATOM 0 HB2 GLN A2114 -6.521 -11.137 -13.731 1.00 24.42 H new ATOM 0 HB3 GLN A2114 -6.095 -12.812 -13.444 1.00 24.42 H new ATOM 0 HG2 GLN A2114 -7.018 -12.607 -11.098 1.00 63.13 H new ATOM 0 HG3 GLN A2114 -7.514 -10.967 -11.463 1.00 63.13 H new ATOM 0 HE21 GLN A2114 -9.544 -10.747 -11.941 1.00 63.44 H new ATOM 0 HE22 GLN A2114 -10.574 -11.909 -12.784 1.00 63.44 H new TER 1691 GLN A2114