USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=23 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: A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A2069 SER OG : rot 172:sc= 1.29 USER MOD Set 2.1: A2057 MET CE :methyl -132:sc= -4.65! (180deg=-9.04!) USER MOD Set 2.2: A2058 MET CE :methyl -146:sc= -14.2! (180deg=-17.6!) USER MOD Set 3.1: A2047 MET CE :methyl -126:sc= -5.03! (180deg=-7.82!) USER MOD Set 3.2: A2085 CYS SG : rot -86:sc= -0.448 USER MOD Set 4.1: A2028 HIS : no HE2:sc= -0.0308 K(o=-0.031,f=-1.4) USER MOD Set 4.2: A2112 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A2026 MET CE :methyl 178:sc= -6.19! (180deg=-6.12!) USER MOD Set 5.2: A2055 HIS : no HD1:sc= -0.182 X(o=-6.4,f=-6.1) USER MOD Single : A2024 HIS :FLIP no HE2:sc= -0.55 F(o=-3.8!,f=-0.55) USER MOD Single : A2035 SER OG : rot -73:sc= 1.07 USER MOD Single : A2038 TYR OH : rot 96:sc= 0.215 USER MOD Single : A2043 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.4) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2063 GLN : amide:sc= -5.68! C(o=-5.7!,f=-7!) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 71:sc= 0.398 USER MOD Single : A2071 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.6!) USER MOD Single : A2072 GLN :FLIP amide:sc= -0.823 F(o=-1.8!,f=-0.82) USER MOD Single : A2074 TYR OH : rot 160:sc= -4.67! USER MOD Single : A2079 MET CE :methyl -148:sc= -0.751 (180deg=-2.77!) USER MOD Single : A2082 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.3) USER MOD Single : A2087 LYS NZ :NH3+ -132:sc= 1.51 (180deg=0.0163) USER MOD Single : A2088 TYR OH : rot -172:sc= -1.44 USER MOD Single : A2089 MET CE :methyl 136:sc= -0.909 (180deg=-4.25!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.7!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.9!) USER MOD Single : A2104 TYR OH : rot 0:sc= -0.57 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 8.036 -15.037 -7.683 1.00 44.24 N ATOM 2 CA MET A2014 7.250 -16.183 -7.260 1.00 2.34 C ATOM 3 C MET A2014 5.754 -15.901 -7.395 1.00 32.13 C ATOM 4 O MET A2014 5.260 -14.892 -6.894 1.00 53.50 O ATOM 5 CB MET A2014 7.578 -16.517 -5.804 1.00 34.22 C ATOM 6 CG MET A2014 8.210 -17.905 -5.688 1.00 24.11 C ATOM 7 SD MET A2014 8.745 -18.197 -4.009 1.00 71.33 S ATOM 8 CE MET A2014 10.415 -17.576 -4.104 1.00 71.32 C ATOM 0 HA MET A2014 7.500 -17.028 -7.901 1.00 2.34 H new ATOM 0 HB2 MET A2014 8.260 -15.768 -5.400 1.00 34.22 H new ATOM 0 HB3 MET A2014 6.669 -16.476 -5.204 1.00 34.22 H new ATOM 0 HG2 MET A2014 7.490 -18.667 -5.986 1.00 24.11 H new ATOM 0 HG3 MET A2014 9.059 -17.985 -6.367 1.00 24.11 H new ATOM 0 HE1 MET A2014 10.899 -17.683 -3.133 1.00 71.32 H new ATOM 0 HE2 MET A2014 10.972 -18.142 -4.851 1.00 71.32 H new ATOM 0 HE3 MET A2014 10.396 -16.523 -4.386 1.00 71.32 H new ATOM 18 N GLU A2015 5.071 -16.810 -8.076 1.00 3.34 N ATOM 19 CA GLU A2015 3.641 -16.672 -8.283 1.00 65.11 C ATOM 20 C GLU A2015 2.881 -17.728 -7.476 1.00 2.14 C ATOM 21 O GLU A2015 1.652 -17.745 -7.470 1.00 10.44 O ATOM 22 CB GLU A2015 3.289 -16.763 -9.770 1.00 14.52 C ATOM 23 CG GLU A2015 3.637 -18.141 -10.333 1.00 5.42 C ATOM 24 CD GLU A2015 4.914 -18.084 -11.174 1.00 45.21 C ATOM 25 OE1 GLU A2015 4.874 -17.649 -12.335 1.00 73.10 O ATOM 26 OE2 GLU A2015 5.977 -18.512 -10.582 1.00 41.23 O ATOM 0 H GLU A2015 5.483 -17.645 -8.491 1.00 3.34 H new ATOM 0 HA GLU A2015 3.339 -15.686 -7.931 1.00 65.11 H new ATOM 0 HB2 GLU A2015 2.225 -16.568 -9.908 1.00 14.52 H new ATOM 0 HB3 GLU A2015 3.828 -15.994 -10.323 1.00 14.52 H new ATOM 0 HG2 GLU A2015 3.768 -18.849 -9.515 1.00 5.42 H new ATOM 0 HG3 GLU A2015 2.812 -18.507 -10.943 1.00 5.42 H new ATOM 34 N LEU A2016 3.649 -18.583 -6.817 1.00 31.13 N ATOM 35 CA LEU A2016 3.064 -19.641 -6.008 1.00 40.12 C ATOM 36 C LEU A2016 2.829 -19.121 -4.588 1.00 32.31 C ATOM 37 O LEU A2016 3.362 -18.080 -4.209 1.00 1.14 O ATOM 38 CB LEU A2016 3.930 -20.902 -6.068 1.00 35.13 C ATOM 39 CG LEU A2016 3.617 -21.878 -7.201 1.00 71.41 C ATOM 40 CD1 LEU A2016 4.527 -21.629 -8.407 1.00 41.41 C ATOM 41 CD2 LEU A2016 3.693 -23.327 -6.715 1.00 12.30 C ATOM 0 H LEU A2016 4.669 -18.566 -6.826 1.00 31.13 H new ATOM 0 HA LEU A2016 2.091 -19.932 -6.405 1.00 40.12 H new ATOM 0 HB2 LEU A2016 4.973 -20.598 -6.155 1.00 35.13 H new ATOM 0 HB3 LEU A2016 3.830 -21.432 -5.121 1.00 35.13 H new ATOM 0 HG LEU A2016 2.592 -21.702 -7.529 1.00 71.41 H new ATOM 0 HD11 LEU A2016 4.283 -22.337 -9.199 1.00 41.41 H new ATOM 0 HD12 LEU A2016 4.379 -20.612 -8.771 1.00 41.41 H new ATOM 0 HD13 LEU A2016 5.568 -21.760 -8.111 1.00 41.41 H new ATOM 0 HD21 LEU A2016 3.466 -24.000 -7.541 1.00 12.30 H new ATOM 0 HD22 LEU A2016 4.697 -23.534 -6.344 1.00 12.30 H new ATOM 0 HD23 LEU A2016 2.971 -23.480 -5.913 1.00 12.30 H new ATOM 53 N ILE A2017 2.033 -19.872 -3.842 1.00 64.41 N ATOM 54 CA ILE A2017 1.722 -19.500 -2.472 1.00 21.42 C ATOM 55 C ILE A2017 0.992 -18.154 -2.466 1.00 24.35 C ATOM 56 O ILE A2017 1.353 -17.247 -3.212 1.00 54.05 O ATOM 57 CB ILE A2017 2.988 -19.517 -1.612 1.00 33.03 C ATOM 58 CG1 ILE A2017 3.587 -20.924 -1.545 1.00 62.03 C ATOM 59 CG2 ILE A2017 2.712 -18.946 -0.219 1.00 54.51 C ATOM 60 CD1 ILE A2017 4.778 -21.056 -2.495 1.00 24.44 C ATOM 0 H ILE A2017 1.594 -20.736 -4.160 1.00 64.41 H new ATOM 0 HA ILE A2017 1.049 -20.230 -2.022 1.00 21.42 H new ATOM 0 HB ILE A2017 3.730 -18.873 -2.084 1.00 33.03 H new ATOM 0 HG12 ILE A2017 3.905 -21.140 -0.525 1.00 62.03 H new ATOM 0 HG13 ILE A2017 2.826 -21.660 -1.805 1.00 62.03 H new ATOM 0 HG21 ILE A2017 3.628 -18.970 0.372 1.00 54.51 H new ATOM 0 HG22 ILE A2017 2.365 -17.917 -0.310 1.00 54.51 H new ATOM 0 HG23 ILE A2017 1.946 -19.545 0.274 1.00 54.51 H new ATOM 0 HD11 ILE A2017 5.186 -22.065 -2.429 1.00 24.44 H new ATOM 0 HD12 ILE A2017 4.451 -20.863 -3.517 1.00 24.44 H new ATOM 0 HD13 ILE A2017 5.547 -20.335 -2.217 1.00 24.44 H new ATOM 72 N ARG A2018 -0.020 -18.071 -1.616 1.00 64.20 N ATOM 73 CA ARG A2018 -0.803 -16.852 -1.504 1.00 61.03 C ATOM 74 C ARG A2018 -1.340 -16.696 -0.079 1.00 11.13 C ATOM 75 O ARG A2018 -1.248 -17.620 0.728 1.00 41.10 O ATOM 76 CB ARG A2018 -1.976 -16.859 -2.486 1.00 22.10 C ATOM 77 CG ARG A2018 -1.715 -15.911 -3.657 1.00 71.55 C ATOM 78 CD ARG A2018 -2.543 -14.631 -3.524 1.00 73.31 C ATOM 79 NE ARG A2018 -3.912 -14.859 -4.036 1.00 71.40 N ATOM 80 CZ ARG A2018 -4.251 -14.800 -5.341 1.00 75.42 C ATOM 81 NH1 ARG A2018 -3.321 -14.519 -6.280 1.00 73.20 N ATOM 82 NH2 ARG A2018 -5.506 -15.020 -5.688 1.00 65.31 N ATOM 0 H ARG A2018 -0.316 -18.827 -0.999 1.00 64.20 H new ATOM 0 HA ARG A2018 -0.149 -16.014 -1.744 1.00 61.03 H new ATOM 0 HB2 ARG A2018 -2.136 -17.870 -2.860 1.00 22.10 H new ATOM 0 HB3 ARG A2018 -2.889 -16.562 -1.970 1.00 22.10 H new ATOM 0 HG2 ARG A2018 -0.655 -15.660 -3.696 1.00 71.55 H new ATOM 0 HG3 ARG A2018 -1.959 -16.410 -4.595 1.00 71.55 H new ATOM 0 HD2 ARG A2018 -2.583 -14.321 -2.480 1.00 73.31 H new ATOM 0 HD3 ARG A2018 -2.068 -13.822 -4.079 1.00 73.31 H new ATOM 0 HE ARG A2018 -4.645 -15.074 -3.361 1.00 71.40 H new ATOM 0 HH11 ARG A2018 -2.354 -14.349 -6.005 1.00 73.20 H new ATOM 0 HH12 ARG A2018 -3.586 -14.477 -7.264 1.00 73.20 H new ATOM 0 HH21 ARG A2018 -6.203 -15.231 -4.974 1.00 65.31 H new ATOM 0 HH22 ARG A2018 -5.778 -14.979 -6.670 1.00 65.31 H new ATOM 94 N VAL A2019 -1.890 -15.520 0.186 1.00 32.23 N ATOM 95 CA VAL A2019 -2.441 -15.231 1.500 1.00 3.43 C ATOM 96 C VAL A2019 -3.417 -16.342 1.893 1.00 21.32 C ATOM 97 O VAL A2019 -4.189 -16.819 1.064 1.00 63.21 O ATOM 98 CB VAL A2019 -3.084 -13.843 1.503 1.00 64.23 C ATOM 99 CG1 VAL A2019 -3.610 -13.479 0.112 1.00 42.32 C ATOM 100 CG2 VAL A2019 -4.196 -13.755 2.550 1.00 0.23 C ATOM 0 H VAL A2019 -1.966 -14.756 -0.486 1.00 32.23 H new ATOM 0 HA VAL A2019 -1.651 -15.211 2.250 1.00 3.43 H new ATOM 0 HB VAL A2019 -2.315 -13.119 1.771 1.00 64.23 H new ATOM 0 HG11 VAL A2019 -4.062 -12.488 0.142 1.00 42.32 H new ATOM 0 HG12 VAL A2019 -2.785 -13.480 -0.601 1.00 42.32 H new ATOM 0 HG13 VAL A2019 -4.358 -14.210 -0.197 1.00 42.32 H new ATOM 0 HG21 VAL A2019 -4.636 -12.758 2.531 1.00 0.23 H new ATOM 0 HG22 VAL A2019 -4.965 -14.495 2.327 1.00 0.23 H new ATOM 0 HG23 VAL A2019 -3.781 -13.949 3.539 1.00 0.23 H new ATOM 110 N PRO A2020 -3.347 -16.733 3.194 1.00 34.51 N ATOM 111 CA PRO A2020 -4.214 -17.778 3.708 1.00 74.42 C ATOM 112 C PRO A2020 -5.642 -17.260 3.904 1.00 3.15 C ATOM 113 O PRO A2020 -6.606 -17.954 3.583 1.00 34.11 O ATOM 114 CB PRO A2020 -3.563 -18.228 5.006 1.00 22.35 C ATOM 115 CG PRO A2020 -2.616 -17.108 5.406 1.00 55.03 C ATOM 116 CD PRO A2020 -2.445 -16.191 4.207 1.00 25.20 C ATOM 0 HA PRO A2020 -4.316 -18.616 3.018 1.00 74.42 H new ATOM 0 HB2 PRO A2020 -4.312 -18.402 5.779 1.00 22.35 H new ATOM 0 HB3 PRO A2020 -3.024 -19.165 4.868 1.00 22.35 H new ATOM 0 HG2 PRO A2020 -3.017 -16.555 6.255 1.00 55.03 H new ATOM 0 HG3 PRO A2020 -1.653 -17.515 5.716 1.00 55.03 H new ATOM 0 HD2 PRO A2020 -2.702 -15.161 4.456 1.00 25.20 H new ATOM 0 HD3 PRO A2020 -1.413 -16.186 3.856 1.00 25.20 H new ATOM 124 N ILE A2021 -5.730 -16.049 4.430 1.00 43.15 N ATOM 125 CA ILE A2021 -7.022 -15.431 4.672 1.00 52.34 C ATOM 126 C ILE A2021 -7.399 -14.556 3.472 1.00 3.34 C ATOM 127 O ILE A2021 -8.149 -14.985 2.598 1.00 42.41 O ATOM 128 CB ILE A2021 -7.015 -14.678 6.004 1.00 61.35 C ATOM 129 CG1 ILE A2021 -6.454 -15.552 7.125 1.00 3.34 C ATOM 130 CG2 ILE A2021 -8.409 -14.142 6.338 1.00 41.45 C ATOM 131 CD1 ILE A2021 -7.166 -16.906 7.175 1.00 41.42 C ATOM 0 H ILE A2021 -4.928 -15.478 4.696 1.00 43.15 H new ATOM 0 HA ILE A2021 -7.796 -16.193 4.767 1.00 52.34 H new ATOM 0 HB ILE A2021 -6.354 -13.817 5.906 1.00 61.35 H new ATOM 0 HG12 ILE A2021 -5.386 -15.705 6.972 1.00 3.34 H new ATOM 0 HG13 ILE A2021 -6.569 -15.041 8.081 1.00 3.34 H new ATOM 0 HG21 ILE A2021 -8.376 -13.611 7.289 1.00 41.45 H new ATOM 0 HG22 ILE A2021 -8.734 -13.460 5.553 1.00 41.45 H new ATOM 0 HG23 ILE A2021 -9.111 -14.973 6.410 1.00 41.45 H new ATOM 0 HD11 ILE A2021 -6.747 -17.508 7.982 1.00 41.42 H new ATOM 0 HD12 ILE A2021 -8.230 -16.751 7.353 1.00 41.42 H new ATOM 0 HD13 ILE A2021 -7.028 -17.425 6.226 1.00 41.42 H new ATOM 143 N LEU A2022 -6.856 -13.347 3.472 1.00 64.31 N ATOM 144 CA LEU A2022 -7.126 -12.408 2.394 1.00 24.22 C ATOM 145 C LEU A2022 -6.434 -11.079 2.698 1.00 43.11 C ATOM 146 O LEU A2022 -7.003 -10.218 3.369 1.00 44.21 O ATOM 147 CB LEU A2022 -8.631 -12.280 2.158 1.00 13.43 C ATOM 148 CG LEU A2022 -9.092 -12.347 0.701 1.00 24.04 C ATOM 149 CD1 LEU A2022 -10.614 -12.471 0.613 1.00 12.41 C ATOM 150 CD2 LEU A2022 -8.565 -11.152 -0.097 1.00 33.24 C ATOM 0 H LEU A2022 -6.232 -12.996 4.199 1.00 64.31 H new ATOM 0 HA LEU A2022 -6.712 -12.776 1.455 1.00 24.22 H new ATOM 0 HB2 LEU A2022 -9.134 -13.071 2.714 1.00 13.43 H new ATOM 0 HB3 LEU A2022 -8.965 -11.332 2.580 1.00 13.43 H new ATOM 0 HG LEU A2022 -8.670 -13.245 0.250 1.00 24.04 H new ATOM 0 HD11 LEU A2022 -10.915 -12.517 -0.433 1.00 12.41 H new ATOM 0 HD12 LEU A2022 -10.935 -13.379 1.123 1.00 12.41 H new ATOM 0 HD13 LEU A2022 -11.078 -11.606 1.087 1.00 12.41 H new ATOM 0 HD21 LEU A2022 -8.907 -11.224 -1.129 1.00 33.24 H new ATOM 0 HD22 LEU A2022 -8.937 -10.227 0.345 1.00 33.24 H new ATOM 0 HD23 LEU A2022 -7.475 -11.152 -0.075 1.00 33.24 H new ATOM 162 N TRP A2023 -5.216 -10.952 2.191 1.00 24.45 N ATOM 163 CA TRP A2023 -4.441 -9.741 2.400 1.00 71.32 C ATOM 164 C TRP A2023 -4.939 -8.684 1.412 1.00 71.42 C ATOM 165 O TRP A2023 -5.172 -7.537 1.790 1.00 52.33 O ATOM 166 CB TRP A2023 -2.942 -10.020 2.271 1.00 72.20 C ATOM 167 CG TRP A2023 -2.296 -10.552 3.550 1.00 20.24 C ATOM 168 CD1 TRP A2023 -2.902 -11.067 4.629 1.00 3.23 C ATOM 169 CD2 TRP A2023 -0.884 -10.600 3.846 1.00 43.34 C ATOM 170 NE1 TRP A2023 -1.988 -11.443 5.592 1.00 1.22 N ATOM 171 CE2 TRP A2023 -0.722 -11.149 5.100 1.00 21.14 C ATOM 172 CE3 TRP A2023 0.221 -10.192 3.078 1.00 21.42 C ATOM 173 CZ2 TRP A2023 0.530 -11.341 5.698 1.00 2.25 C ATOM 174 CZ3 TRP A2023 1.464 -10.391 3.688 1.00 42.53 C ATOM 175 CH2 TRP A2023 1.644 -10.943 4.951 1.00 63.45 C ATOM 0 H TRP A2023 -4.747 -11.668 1.636 1.00 24.45 H new ATOM 0 HA TRP A2023 -4.581 -9.364 3.413 1.00 71.32 H new ATOM 0 HB2 TRP A2023 -2.785 -10.742 1.470 1.00 72.20 H new ATOM 0 HB3 TRP A2023 -2.436 -9.101 1.976 1.00 72.20 H new ATOM 0 HD1 TRP A2023 -3.972 -11.174 4.732 1.00 3.23 H new ATOM 0 HE1 TRP A2023 -2.202 -11.860 6.498 1.00 1.22 H new ATOM 0 HE3 TRP A2023 0.118 -9.759 2.094 1.00 21.42 H new ATOM 0 HZ2 TRP A2023 0.630 -11.773 6.683 1.00 2.25 H new ATOM 0 HZ3 TRP A2023 2.346 -10.095 3.139 1.00 42.53 H new ATOM 0 HH2 TRP A2023 2.639 -11.064 5.354 1.00 63.45 H new ATOM 186 N HIS A2024 -5.089 -9.109 0.166 1.00 50.21 N ATOM 187 CA HIS A2024 -5.555 -8.213 -0.879 1.00 74.31 C ATOM 188 C HIS A2024 -6.799 -7.463 -0.394 1.00 62.34 C ATOM 189 O HIS A2024 -7.110 -6.381 -0.892 1.00 41.12 O ATOM 190 CB HIS A2024 -5.794 -8.976 -2.183 1.00 15.44 C ATOM 191 CG HIS A2024 -4.747 -10.020 -2.482 1.00 44.12 C ATOM 192 ND1 HIS A2024 -3.518 -10.235 -1.930 1.00 44.25 N flip ATOM 193 CD2 HIS A2024 -4.912 -10.991 -3.457 1.00 23.02 C flip ATOM 194 CE1 HIS A2024 -2.964 -11.281 -2.532 1.00 52.33 C flip ATOM 195 NE2 HIS A2024 -3.826 -11.749 -3.480 1.00 52.40 N flip ATOM 0 H HIS A2024 -4.896 -10.062 -0.143 1.00 50.21 H new ATOM 0 HA HIS A2024 -4.787 -7.471 -1.096 1.00 74.31 H new ATOM 0 HB2 HIS A2024 -6.771 -9.458 -2.136 1.00 15.44 H new ATOM 0 HB3 HIS A2024 -5.829 -8.264 -3.008 1.00 15.44 H new ATOM 0 HD1 HIS A2024 -3.096 -9.685 -1.182 1.00 44.25 H new ATOM 0 HD2 HIS A2024 -5.779 -11.109 -4.090 1.00 23.02 H new ATOM 0 HE1 HIS A2024 -1.991 -11.693 -2.308 1.00 52.33 H new ATOM 204 N GLU A2025 -7.476 -8.067 0.570 1.00 42.11 N ATOM 205 CA GLU A2025 -8.679 -7.470 1.128 1.00 64.03 C ATOM 206 C GLU A2025 -8.335 -6.172 1.860 1.00 54.42 C ATOM 207 O GLU A2025 -9.131 -5.232 1.873 1.00 25.24 O ATOM 208 CB GLU A2025 -9.397 -8.450 2.056 1.00 51.23 C ATOM 209 CG GLU A2025 -10.708 -7.855 2.573 1.00 40.03 C ATOM 210 CD GLU A2025 -11.832 -8.030 1.549 1.00 20.13 C ATOM 211 OE1 GLU A2025 -12.372 -9.137 1.405 1.00 54.32 O ATOM 212 OE2 GLU A2025 -12.141 -6.966 0.890 1.00 51.22 O ATOM 0 H GLU A2025 -7.215 -8.964 0.980 1.00 42.11 H new ATOM 0 HA GLU A2025 -9.358 -7.233 0.309 1.00 64.03 H new ATOM 0 HB2 GLU A2025 -9.600 -9.379 1.523 1.00 51.23 H new ATOM 0 HB3 GLU A2025 -8.750 -8.700 2.897 1.00 51.23 H new ATOM 0 HG2 GLU A2025 -10.986 -8.338 3.510 1.00 40.03 H new ATOM 0 HG3 GLU A2025 -10.570 -6.796 2.789 1.00 40.03 H new ATOM 220 N MET A2026 -7.150 -6.159 2.452 1.00 34.35 N ATOM 221 CA MET A2026 -6.693 -4.991 3.188 1.00 61.24 C ATOM 222 C MET A2026 -6.179 -3.911 2.232 1.00 2.12 C ATOM 223 O MET A2026 -6.362 -2.721 2.480 1.00 70.31 O ATOM 224 CB MET A2026 -5.574 -5.397 4.147 1.00 23.01 C ATOM 225 CG MET A2026 -4.200 -5.094 3.548 1.00 3.13 C ATOM 226 SD MET A2026 -2.973 -5.010 4.843 1.00 63.31 S ATOM 227 CE MET A2026 -1.734 -4.015 4.032 1.00 52.42 C ATOM 0 H MET A2026 -6.492 -6.938 2.437 1.00 34.35 H new ATOM 0 HA MET A2026 -7.534 -4.585 3.750 1.00 61.24 H new ATOM 0 HB2 MET A2026 -5.688 -4.864 5.091 1.00 23.01 H new ATOM 0 HB3 MET A2026 -5.650 -6.461 4.370 1.00 23.01 H new ATOM 0 HG2 MET A2026 -3.929 -5.867 2.829 1.00 3.13 H new ATOM 0 HG3 MET A2026 -4.232 -4.150 3.004 1.00 3.13 H new ATOM 0 HE1 MET A2026 -0.906 -3.834 4.718 1.00 52.42 H new ATOM 0 HE2 MET A2026 -1.367 -4.539 3.150 1.00 52.42 H new ATOM 0 HE3 MET A2026 -2.171 -3.063 3.732 1.00 52.42 H new ATOM 237 N TRP A2027 -5.547 -4.366 1.161 1.00 41.33 N ATOM 238 CA TRP A2027 -5.005 -3.453 0.168 1.00 63.40 C ATOM 239 C TRP A2027 -6.179 -2.765 -0.530 1.00 51.52 C ATOM 240 O TRP A2027 -6.121 -1.569 -0.817 1.00 54.05 O ATOM 241 CB TRP A2027 -4.080 -4.186 -0.804 1.00 4.20 C ATOM 242 CG TRP A2027 -2.866 -4.838 -0.136 1.00 2.10 C ATOM 243 CD1 TRP A2027 -2.825 -5.974 0.574 1.00 75.12 C ATOM 244 CD2 TRP A2027 -1.510 -4.342 -0.146 1.00 31.23 C ATOM 245 NE1 TRP A2027 -1.549 -6.244 1.023 1.00 62.51 N ATOM 246 CE2 TRP A2027 -0.725 -5.222 0.569 1.00 4.23 C ATOM 247 CE3 TRP A2027 -0.968 -3.190 -0.740 1.00 42.22 C ATOM 248 CZ2 TRP A2027 0.652 -5.040 0.758 1.00 32.33 C ATOM 249 CZ3 TRP A2027 0.409 -3.023 -0.542 1.00 61.24 C ATOM 250 CH2 TRP A2027 1.215 -3.899 0.175 1.00 1.12 C ATOM 0 H TRP A2027 -5.398 -5.354 0.958 1.00 41.33 H new ATOM 0 HA TRP A2027 -4.385 -2.692 0.642 1.00 63.40 H new ATOM 0 HB2 TRP A2027 -4.652 -4.954 -1.324 1.00 4.20 H new ATOM 0 HB3 TRP A2027 -3.732 -3.482 -1.559 1.00 4.20 H new ATOM 0 HD1 TRP A2027 -3.683 -6.600 0.770 1.00 75.12 H new ATOM 0 HE1 TRP A2027 -1.263 -7.046 1.585 1.00 62.51 H new ATOM 0 HE3 TRP A2027 -1.565 -2.489 -1.304 1.00 42.22 H new ATOM 0 HZ2 TRP A2027 1.247 -5.743 1.323 1.00 32.33 H new ATOM 0 HZ3 TRP A2027 0.877 -2.152 -0.977 1.00 61.24 H new ATOM 0 HH2 TRP A2027 2.271 -3.700 0.282 1.00 1.12 H new ATOM 261 N HIS A2028 -7.217 -3.547 -0.785 1.00 53.44 N ATOM 262 CA HIS A2028 -8.403 -3.027 -1.444 1.00 74.34 C ATOM 263 C HIS A2028 -9.179 -2.134 -0.474 1.00 60.12 C ATOM 264 O HIS A2028 -9.393 -0.953 -0.746 1.00 75.02 O ATOM 265 CB HIS A2028 -9.253 -4.165 -2.012 1.00 2.13 C ATOM 266 CG HIS A2028 -9.205 -4.275 -3.517 1.00 50.14 C ATOM 267 ND1 HIS A2028 -10.341 -4.423 -4.295 1.00 23.43 N ATOM 268 CD2 HIS A2028 -8.148 -4.256 -4.378 1.00 72.32 C ATOM 269 CE1 HIS A2028 -9.971 -4.490 -5.565 1.00 14.12 C ATOM 270 NE2 HIS A2028 -8.613 -4.386 -5.615 1.00 24.23 N ATOM 0 H HIS A2028 -7.262 -4.538 -0.547 1.00 53.44 H new ATOM 0 HA HIS A2028 -8.110 -2.412 -2.295 1.00 74.34 H new ATOM 0 HB2 HIS A2028 -8.917 -5.107 -1.578 1.00 2.13 H new ATOM 0 HB3 HIS A2028 -10.288 -4.022 -1.701 1.00 2.13 H new ATOM 0 HD1 HIS A2028 -11.299 -4.472 -3.949 1.00 23.43 H new ATOM 0 HD2 HIS A2028 -7.109 -4.153 -4.101 1.00 72.32 H new ATOM 0 HE1 HIS A2028 -10.630 -4.607 -6.413 1.00 14.12 H new ATOM 279 N GLU A2029 -9.582 -2.733 0.638 1.00 14.45 N ATOM 280 CA GLU A2029 -10.331 -2.006 1.649 1.00 13.13 C ATOM 281 C GLU A2029 -9.484 -0.869 2.223 1.00 44.24 C ATOM 282 O GLU A2029 -10.003 0.204 2.527 1.00 44.14 O ATOM 283 CB GLU A2029 -10.808 -2.947 2.759 1.00 64.33 C ATOM 284 CG GLU A2029 -9.754 -3.075 3.860 1.00 12.11 C ATOM 285 CD GLU A2029 -9.875 -1.931 4.869 1.00 13.35 C ATOM 286 OE1 GLU A2029 -8.925 -1.153 5.043 1.00 43.33 O ATOM 287 OE2 GLU A2029 -11.007 -1.866 5.486 1.00 43.22 O ATOM 0 H GLU A2029 -9.404 -3.712 0.860 1.00 14.45 H new ATOM 0 HA GLU A2029 -11.214 -1.573 1.178 1.00 13.13 H new ATOM 0 HB2 GLU A2029 -11.739 -2.572 3.184 1.00 64.33 H new ATOM 0 HB3 GLU A2029 -11.023 -3.930 2.340 1.00 64.33 H new ATOM 0 HG2 GLU A2029 -9.871 -4.030 4.372 1.00 12.11 H new ATOM 0 HG3 GLU A2029 -8.758 -3.071 3.417 1.00 12.11 H new ATOM 295 N GLY A2030 -8.194 -1.142 2.352 1.00 14.43 N ATOM 296 CA GLY A2030 -7.269 -0.154 2.883 1.00 33.22 C ATOM 297 C GLY A2030 -7.233 1.094 2.000 1.00 61.32 C ATOM 298 O GLY A2030 -7.623 2.177 2.434 1.00 65.41 O ATOM 0 H GLY A2030 -7.767 -2.033 2.098 1.00 14.43 H new ATOM 0 HA2 GLY A2030 -7.566 0.121 3.895 1.00 33.22 H new ATOM 0 HA3 GLY A2030 -6.270 -0.585 2.950 1.00 33.22 H new ATOM 302 N LEU A2031 -6.763 0.901 0.777 1.00 74.54 N ATOM 303 CA LEU A2031 -6.672 1.997 -0.172 1.00 1.21 C ATOM 304 C LEU A2031 -8.069 2.571 -0.419 1.00 74.32 C ATOM 305 O LEU A2031 -8.217 3.762 -0.687 1.00 14.13 O ATOM 306 CB LEU A2031 -5.960 1.546 -1.448 1.00 21.01 C ATOM 307 CG LEU A2031 -4.810 2.433 -1.925 1.00 44.12 C ATOM 308 CD1 LEU A2031 -3.810 2.693 -0.797 1.00 2.32 C ATOM 309 CD2 LEU A2031 -4.136 1.842 -3.164 1.00 61.12 C ATOM 0 H LEU A2031 -6.441 0.001 0.421 1.00 74.54 H new ATOM 0 HA LEU A2031 -6.063 2.803 0.237 1.00 1.21 H new ATOM 0 HB2 LEU A2031 -5.573 0.539 -1.288 1.00 21.01 H new ATOM 0 HB3 LEU A2031 -6.698 1.481 -2.248 1.00 21.01 H new ATOM 0 HG LEU A2031 -5.225 3.398 -2.215 1.00 44.12 H new ATOM 0 HD11 LEU A2031 -3.003 3.326 -1.165 1.00 2.32 H new ATOM 0 HD12 LEU A2031 -4.315 3.193 0.029 1.00 2.32 H new ATOM 0 HD13 LEU A2031 -3.398 1.745 -0.450 1.00 2.32 H new ATOM 0 HD21 LEU A2031 -3.322 2.494 -3.481 1.00 61.12 H new ATOM 0 HD22 LEU A2031 -3.739 0.855 -2.926 1.00 61.12 H new ATOM 0 HD23 LEU A2031 -4.866 1.755 -3.969 1.00 61.12 H new ATOM 321 N GLU A2032 -9.058 1.696 -0.319 1.00 22.34 N ATOM 322 CA GLU A2032 -10.439 2.099 -0.528 1.00 11.31 C ATOM 323 C GLU A2032 -10.800 3.254 0.408 1.00 35.30 C ATOM 324 O GLU A2032 -11.300 4.286 -0.038 1.00 74.32 O ATOM 325 CB GLU A2032 -11.391 0.919 -0.336 1.00 4.54 C ATOM 326 CG GLU A2032 -11.745 0.275 -1.679 1.00 2.12 C ATOM 327 CD GLU A2032 -12.729 -0.882 -1.491 1.00 44.23 C ATOM 328 OE1 GLU A2032 -13.883 -0.654 -1.098 1.00 24.55 O ATOM 329 OE2 GLU A2032 -12.256 -2.049 -1.767 1.00 65.33 O ATOM 0 H GLU A2032 -8.931 0.709 -0.096 1.00 22.34 H new ATOM 0 HA GLU A2032 -10.545 2.443 -1.557 1.00 11.31 H new ATOM 0 HB2 GLU A2032 -10.930 0.178 0.316 1.00 4.54 H new ATOM 0 HB3 GLU A2032 -12.301 1.258 0.160 1.00 4.54 H new ATOM 0 HG2 GLU A2032 -12.180 1.023 -2.341 1.00 2.12 H new ATOM 0 HG3 GLU A2032 -10.838 -0.089 -2.162 1.00 2.12 H new ATOM 337 N GLU A2033 -10.535 3.042 1.689 1.00 31.41 N ATOM 338 CA GLU A2033 -10.828 4.051 2.691 1.00 20.11 C ATOM 339 C GLU A2033 -9.827 5.203 2.591 1.00 74.45 C ATOM 340 O GLU A2033 -10.220 6.366 2.502 1.00 40.22 O ATOM 341 CB GLU A2033 -10.826 3.445 4.096 1.00 75.43 C ATOM 342 CG GLU A2033 -11.861 4.132 4.990 1.00 52.13 C ATOM 343 CD GLU A2033 -11.995 5.616 4.633 1.00 33.13 C ATOM 344 OE1 GLU A2033 -11.273 6.454 5.190 1.00 53.44 O ATOM 345 OE2 GLU A2033 -12.888 5.882 3.743 1.00 12.24 O ATOM 0 H GLU A2033 -10.120 2.185 2.055 1.00 31.41 H new ATOM 0 HA GLU A2033 -11.827 4.444 2.502 1.00 20.11 H new ATOM 0 HB2 GLU A2033 -11.042 2.378 4.036 1.00 75.43 H new ATOM 0 HB3 GLU A2033 -9.835 3.545 4.538 1.00 75.43 H new ATOM 0 HG2 GLU A2033 -12.827 3.639 4.880 1.00 52.13 H new ATOM 0 HG3 GLU A2033 -11.569 4.030 6.035 1.00 52.13 H new ATOM 353 N ALA A2034 -8.552 4.842 2.607 1.00 15.11 N ATOM 354 CA ALA A2034 -7.492 5.832 2.519 1.00 1.44 C ATOM 355 C ALA A2034 -7.715 6.703 1.282 1.00 24.31 C ATOM 356 O ALA A2034 -7.703 7.931 1.370 1.00 2.41 O ATOM 357 CB ALA A2034 -6.134 5.127 2.499 1.00 21.14 C ATOM 0 H ALA A2034 -8.229 3.877 2.680 1.00 15.11 H new ATOM 0 HA ALA A2034 -7.506 6.487 3.390 1.00 1.44 H new ATOM 0 HB1 ALA A2034 -5.339 5.870 2.433 1.00 21.14 H new ATOM 0 HB2 ALA A2034 -6.012 4.546 3.413 1.00 21.14 H new ATOM 0 HB3 ALA A2034 -6.082 4.462 1.637 1.00 21.14 H new ATOM 363 N SER A2035 -7.914 6.035 0.155 1.00 23.01 N ATOM 364 CA SER A2035 -8.140 6.732 -1.099 1.00 52.33 C ATOM 365 C SER A2035 -9.482 7.465 -1.057 1.00 62.21 C ATOM 366 O SER A2035 -9.636 8.524 -1.664 1.00 35.53 O ATOM 367 CB SER A2035 -8.101 5.763 -2.284 1.00 34.12 C ATOM 368 OG SER A2035 -9.321 5.042 -2.423 1.00 32.25 O ATOM 0 H SER A2035 -7.923 5.017 0.085 1.00 23.01 H new ATOM 0 HA SER A2035 -7.340 7.460 -1.233 1.00 52.33 H new ATOM 0 HB2 SER A2035 -7.902 6.319 -3.200 1.00 34.12 H new ATOM 0 HB3 SER A2035 -7.278 5.061 -2.151 1.00 34.12 H new ATOM 0 HG SER A2035 -9.384 4.367 -1.715 1.00 32.25 H new ATOM 374 N ARG A2036 -10.421 6.873 -0.333 1.00 22.41 N ATOM 375 CA ARG A2036 -11.745 7.455 -0.204 1.00 50.23 C ATOM 376 C ARG A2036 -11.656 8.840 0.440 1.00 44.11 C ATOM 377 O ARG A2036 -12.178 9.815 -0.099 1.00 30.44 O ATOM 378 CB ARG A2036 -12.659 6.566 0.644 1.00 63.33 C ATOM 379 CG ARG A2036 -13.624 5.773 -0.241 1.00 43.13 C ATOM 380 CD ARG A2036 -14.505 4.848 0.603 1.00 75.02 C ATOM 381 NE ARG A2036 -15.888 5.374 0.651 1.00 51.15 N ATOM 382 CZ ARG A2036 -16.715 5.426 -0.414 1.00 74.11 C ATOM 383 NH1 ARG A2036 -16.306 4.983 -1.623 1.00 12.22 N ATOM 384 NH2 ARG A2036 -17.932 5.915 -0.258 1.00 41.41 N ATOM 0 H ARG A2036 -10.290 5.996 0.170 1.00 22.41 H new ATOM 0 HA ARG A2036 -12.167 7.541 -1.205 1.00 50.23 H new ATOM 0 HB2 ARG A2036 -12.056 5.879 1.238 1.00 63.33 H new ATOM 0 HB3 ARG A2036 -13.224 7.181 1.344 1.00 63.33 H new ATOM 0 HG2 ARG A2036 -14.251 6.460 -0.809 1.00 43.13 H new ATOM 0 HG3 ARG A2036 -13.060 5.184 -0.964 1.00 43.13 H new ATOM 0 HD2 ARG A2036 -14.503 3.844 0.179 1.00 75.02 H new ATOM 0 HD3 ARG A2036 -14.102 4.769 1.613 1.00 75.02 H new ATOM 0 HE ARG A2036 -16.238 5.719 1.545 1.00 51.15 H new ATOM 0 HH11 ARG A2036 -15.365 4.605 -1.736 1.00 12.22 H new ATOM 0 HH12 ARG A2036 -16.938 5.026 -2.422 1.00 12.22 H new ATOM 0 HH21 ARG A2036 -18.235 6.247 0.658 1.00 41.41 H new ATOM 0 HH22 ARG A2036 -18.569 5.961 -1.053 1.00 41.41 H new ATOM 396 N LEU A2037 -10.988 8.884 1.585 1.00 22.41 N ATOM 397 CA LEU A2037 -10.823 10.133 2.306 1.00 32.41 C ATOM 398 C LEU A2037 -9.829 11.023 1.557 1.00 10.41 C ATOM 399 O LEU A2037 -10.029 12.231 1.452 1.00 71.04 O ATOM 400 CB LEU A2037 -10.432 9.865 3.761 1.00 4.14 C ATOM 401 CG LEU A2037 -8.982 9.433 3.997 1.00 25.42 C ATOM 402 CD1 LEU A2037 -8.158 10.579 4.585 1.00 45.31 C ATOM 403 CD2 LEU A2037 -8.919 8.177 4.867 1.00 3.24 C ATOM 0 H LEU A2037 -10.556 8.074 2.030 1.00 22.41 H new ATOM 0 HA LEU A2037 -11.768 10.675 2.348 1.00 32.41 H new ATOM 0 HB2 LEU A2037 -10.620 10.770 4.340 1.00 4.14 H new ATOM 0 HB3 LEU A2037 -11.090 9.091 4.157 1.00 4.14 H new ATOM 0 HG LEU A2037 -8.540 9.180 3.033 1.00 25.42 H new ATOM 0 HD11 LEU A2037 -7.132 10.246 4.743 1.00 45.31 H new ATOM 0 HD12 LEU A2037 -8.163 11.423 3.895 1.00 45.31 H new ATOM 0 HD13 LEU A2037 -8.590 10.887 5.537 1.00 45.31 H new ATOM 0 HD21 LEU A2037 -7.878 7.892 5.019 1.00 3.24 H new ATOM 0 HD22 LEU A2037 -9.385 8.379 5.832 1.00 3.24 H new ATOM 0 HD23 LEU A2037 -9.449 7.364 4.371 1.00 3.24 H new ATOM 415 N TYR A2038 -8.778 10.389 1.057 1.00 72.25 N ATOM 416 CA TYR A2038 -7.753 11.109 0.320 1.00 24.41 C ATOM 417 C TYR A2038 -8.353 11.849 -0.877 1.00 61.32 C ATOM 418 O TYR A2038 -8.187 13.061 -1.008 1.00 32.32 O ATOM 419 CB TYR A2038 -6.776 10.047 -0.190 1.00 71.41 C ATOM 420 CG TYR A2038 -5.597 10.615 -0.983 1.00 11.52 C ATOM 421 CD1 TYR A2038 -4.775 11.562 -0.410 1.00 11.44 C ATOM 422 CD2 TYR A2038 -5.356 10.179 -2.269 1.00 44.33 C ATOM 423 CE1 TYR A2038 -3.664 12.096 -1.155 1.00 14.21 C ATOM 424 CE2 TYR A2038 -4.245 10.714 -3.015 1.00 0.13 C ATOM 425 CZ TYR A2038 -3.454 11.647 -2.420 1.00 5.13 C ATOM 426 OH TYR A2038 -2.405 12.151 -3.123 1.00 72.33 O ATOM 0 H TYR A2038 -8.614 9.386 1.148 1.00 72.25 H new ATOM 0 HA TYR A2038 -7.271 11.849 0.959 1.00 24.41 H new ATOM 0 HB2 TYR A2038 -6.391 9.484 0.660 1.00 71.41 H new ATOM 0 HB3 TYR A2038 -7.318 9.342 -0.820 1.00 71.41 H new ATOM 0 HD1 TYR A2038 -4.964 11.903 0.597 1.00 11.44 H new ATOM 0 HD2 TYR A2038 -6.000 9.437 -2.717 1.00 44.33 H new ATOM 0 HE1 TYR A2038 -3.012 12.837 -0.717 1.00 14.21 H new ATOM 0 HE2 TYR A2038 -4.045 10.382 -4.023 1.00 0.13 H new ATOM 0 HH TYR A2038 -1.638 11.546 -3.045 1.00 72.33 H new ATOM 436 N PHE A2039 -9.040 11.091 -1.717 1.00 5.31 N ATOM 437 CA PHE A2039 -9.665 11.659 -2.900 1.00 72.21 C ATOM 438 C PHE A2039 -10.873 12.519 -2.520 1.00 12.43 C ATOM 439 O PHE A2039 -11.053 13.612 -3.054 1.00 54.24 O ATOM 440 CB PHE A2039 -10.141 10.489 -3.762 1.00 23.22 C ATOM 441 CG PHE A2039 -9.026 9.815 -4.566 1.00 42.02 C ATOM 442 CD1 PHE A2039 -8.000 9.198 -3.921 1.00 35.23 C ATOM 443 CD2 PHE A2039 -9.062 9.834 -5.924 1.00 51.24 C ATOM 444 CE1 PHE A2039 -6.966 8.572 -4.667 1.00 70.54 C ATOM 445 CE2 PHE A2039 -8.027 9.210 -6.671 1.00 10.40 C ATOM 446 CZ PHE A2039 -7.002 8.592 -6.026 1.00 71.03 C ATOM 0 H PHE A2039 -9.178 10.087 -1.603 1.00 5.31 H new ATOM 0 HA PHE A2039 -8.952 12.291 -3.430 1.00 72.21 H new ATOM 0 HB2 PHE A2039 -10.612 9.745 -3.119 1.00 23.22 H new ATOM 0 HB3 PHE A2039 -10.907 10.846 -4.451 1.00 23.22 H new ATOM 0 HD1 PHE A2039 -7.971 9.184 -2.841 1.00 35.23 H new ATOM 0 HD2 PHE A2039 -9.877 10.323 -6.436 1.00 51.24 H new ATOM 0 HE1 PHE A2039 -6.152 8.081 -4.155 1.00 70.54 H new ATOM 0 HE2 PHE A2039 -8.054 9.227 -7.751 1.00 10.40 H new ATOM 0 HZ PHE A2039 -6.216 8.117 -6.594 1.00 71.03 H new ATOM 456 N GLY A2040 -11.667 11.993 -1.599 1.00 2.35 N ATOM 457 CA GLY A2040 -12.852 12.699 -1.142 1.00 53.10 C ATOM 458 C GLY A2040 -12.472 13.950 -0.347 1.00 73.25 C ATOM 459 O GLY A2040 -12.681 15.071 -0.809 1.00 31.02 O ATOM 0 H GLY A2040 -11.513 11.087 -1.157 1.00 2.35 H new ATOM 0 HA2 GLY A2040 -13.465 12.980 -1.998 1.00 53.10 H new ATOM 0 HA3 GLY A2040 -13.456 12.038 -0.520 1.00 53.10 H new ATOM 463 N GLU A2041 -11.921 13.717 0.835 1.00 64.31 N ATOM 464 CA GLU A2041 -11.510 14.810 1.699 1.00 63.23 C ATOM 465 C GLU A2041 -11.595 14.388 3.167 1.00 3.33 C ATOM 466 O GLU A2041 -12.592 13.809 3.593 1.00 31.02 O ATOM 467 CB GLU A2041 -12.351 16.062 1.439 1.00 72.11 C ATOM 468 CG GLU A2041 -12.321 17.003 2.641 1.00 54.53 C ATOM 469 CD GLU A2041 -12.905 18.372 2.283 1.00 31.24 C ATOM 470 OE1 GLU A2041 -12.150 19.330 2.062 1.00 44.34 O ATOM 471 OE2 GLU A2041 -14.194 18.420 2.237 1.00 4.22 O ATOM 0 H GLU A2041 -11.749 12.786 1.215 1.00 64.31 H new ATOM 0 HA GLU A2041 -10.473 15.056 1.471 1.00 63.23 H new ATOM 0 HB2 GLU A2041 -11.974 16.581 0.558 1.00 72.11 H new ATOM 0 HB3 GLU A2041 -13.380 15.774 1.224 1.00 72.11 H new ATOM 0 HG2 GLU A2041 -12.888 16.566 3.463 1.00 54.53 H new ATOM 0 HG3 GLU A2041 -11.295 17.121 2.989 1.00 54.53 H new ATOM 479 N ARG A2042 -10.534 14.697 3.900 1.00 61.15 N ATOM 480 CA ARG A2042 -10.478 14.358 5.313 1.00 61.12 C ATOM 481 C ARG A2042 -9.093 14.680 5.880 1.00 61.14 C ATOM 482 O ARG A2042 -8.980 15.338 6.912 1.00 42.25 O ATOM 483 CB ARG A2042 -10.779 12.874 5.533 1.00 3.23 C ATOM 484 CG ARG A2042 -11.286 12.625 6.956 1.00 44.21 C ATOM 485 CD ARG A2042 -10.652 13.605 7.945 1.00 22.13 C ATOM 486 NE ARG A2042 -11.163 13.350 9.308 1.00 0.11 N ATOM 487 CZ ARG A2042 -12.407 13.674 9.724 1.00 72.11 C ATOM 488 NH1 ARG A2042 -13.277 14.269 8.880 1.00 52.24 N ATOM 489 NH2 ARG A2042 -12.759 13.401 10.966 1.00 2.52 N ATOM 0 H ARG A2042 -9.708 15.177 3.543 1.00 61.15 H new ATOM 0 HA ARG A2042 -11.233 14.951 5.829 1.00 61.12 H new ATOM 0 HB2 ARG A2042 -11.526 12.540 4.813 1.00 3.23 H new ATOM 0 HB3 ARG A2042 -9.879 12.286 5.355 1.00 3.23 H new ATOM 0 HG2 ARG A2042 -12.371 12.728 6.982 1.00 44.21 H new ATOM 0 HG3 ARG A2042 -11.055 11.602 7.254 1.00 44.21 H new ATOM 0 HD2 ARG A2042 -9.567 13.500 7.929 1.00 22.13 H new ATOM 0 HD3 ARG A2042 -10.877 14.630 7.649 1.00 22.13 H new ATOM 0 HE ARG A2042 -10.537 12.901 9.977 1.00 0.11 H new ATOM 0 HH11 ARG A2042 -12.997 14.477 7.922 1.00 52.24 H new ATOM 0 HH12 ARG A2042 -14.215 14.511 9.201 1.00 52.24 H new ATOM 0 HH21 ARG A2042 -12.096 12.952 11.597 1.00 2.52 H new ATOM 0 HH22 ARG A2042 -13.695 13.639 11.295 1.00 2.52 H new ATOM 501 N ASN A2043 -8.075 14.201 5.178 1.00 40.14 N ATOM 502 CA ASN A2043 -6.703 14.431 5.600 1.00 63.23 C ATOM 503 C ASN A2043 -5.817 13.304 5.066 1.00 0.40 C ATOM 504 O ASN A2043 -6.317 12.305 4.554 1.00 22.00 O ATOM 505 CB ASN A2043 -6.590 14.441 7.126 1.00 35.55 C ATOM 506 CG ASN A2043 -6.401 15.864 7.653 1.00 44.20 C ATOM 507 OD1 ASN A2043 -6.732 16.843 7.003 1.00 13.40 O ATOM 508 ND2 ASN A2043 -5.851 15.924 8.862 1.00 42.11 N ATOM 0 H ASN A2043 -8.173 13.656 4.322 1.00 40.14 H new ATOM 0 HA ASN A2043 -6.386 15.398 5.210 1.00 63.23 H new ATOM 0 HB2 ASN A2043 -7.488 14.004 7.563 1.00 35.55 H new ATOM 0 HB3 ASN A2043 -5.749 13.820 7.436 1.00 35.55 H new ATOM 0 HD21 ASN A2043 -5.682 16.829 9.301 1.00 42.11 H new ATOM 0 HD22 ASN A2043 -5.598 15.065 9.350 1.00 42.11 H new ATOM 515 N VAL A2044 -4.514 13.503 5.205 1.00 52.44 N ATOM 516 CA VAL A2044 -3.552 12.517 4.745 1.00 52.42 C ATOM 517 C VAL A2044 -3.386 11.435 5.813 1.00 54.51 C ATOM 518 O VAL A2044 -3.081 10.287 5.496 1.00 60.24 O ATOM 519 CB VAL A2044 -2.234 13.203 4.379 1.00 5.22 C ATOM 520 CG1 VAL A2044 -1.061 12.224 4.473 1.00 60.52 C ATOM 521 CG2 VAL A2044 -2.312 13.832 2.985 1.00 13.10 C ATOM 0 H VAL A2044 -4.102 14.334 5.630 1.00 52.44 H new ATOM 0 HA VAL A2044 -3.911 12.027 3.840 1.00 52.42 H new ATOM 0 HB VAL A2044 -2.062 14.003 5.099 1.00 5.22 H new ATOM 0 HG11 VAL A2044 -0.137 12.737 4.208 1.00 60.52 H new ATOM 0 HG12 VAL A2044 -0.985 11.843 5.492 1.00 60.52 H new ATOM 0 HG13 VAL A2044 -1.225 11.393 3.787 1.00 60.52 H new ATOM 0 HG21 VAL A2044 -1.363 14.313 2.749 1.00 13.10 H new ATOM 0 HG22 VAL A2044 -2.519 13.057 2.247 1.00 13.10 H new ATOM 0 HG23 VAL A2044 -3.110 14.575 2.965 1.00 13.10 H new ATOM 531 N LYS A2045 -3.593 11.840 7.057 1.00 1.51 N ATOM 532 CA LYS A2045 -3.470 10.919 8.174 1.00 1.14 C ATOM 533 C LYS A2045 -4.390 9.717 7.943 1.00 42.14 C ATOM 534 O LYS A2045 -4.058 8.595 8.323 1.00 32.03 O ATOM 535 CB LYS A2045 -3.728 11.643 9.497 1.00 11.13 C ATOM 536 CG LYS A2045 -5.167 12.161 9.568 1.00 2.33 C ATOM 537 CD LYS A2045 -5.956 11.436 10.659 1.00 24.33 C ATOM 538 CE LYS A2045 -5.681 12.047 12.035 1.00 4.35 C ATOM 539 NZ LYS A2045 -5.407 10.983 13.027 1.00 12.32 N ATOM 0 H LYS A2045 -3.845 12.794 7.316 1.00 1.51 H new ATOM 0 HA LYS A2045 -2.452 10.535 8.240 1.00 1.14 H new ATOM 0 HB2 LYS A2045 -3.541 10.965 10.329 1.00 11.13 H new ATOM 0 HB3 LYS A2045 -3.032 12.476 9.602 1.00 11.13 H new ATOM 0 HG2 LYS A2045 -5.162 13.232 9.768 1.00 2.33 H new ATOM 0 HG3 LYS A2045 -5.657 12.019 8.605 1.00 2.33 H new ATOM 0 HD2 LYS A2045 -7.022 11.492 10.439 1.00 24.33 H new ATOM 0 HD3 LYS A2045 -5.687 10.380 10.666 1.00 24.33 H new ATOM 0 HE2 LYS A2045 -4.830 12.725 11.975 1.00 4.35 H new ATOM 0 HE3 LYS A2045 -6.538 12.639 12.355 1.00 4.35 H new ATOM 0 HZ1 LYS A2045 -5.222 11.413 13.956 1.00 12.32 H new ATOM 0 HZ2 LYS A2045 -6.231 10.352 13.096 1.00 12.32 H new ATOM 0 HZ3 LYS A2045 -4.575 10.435 12.728 1.00 12.32 H new ATOM 552 N GLY A2046 -5.525 9.994 7.318 1.00 61.13 N ATOM 553 CA GLY A2046 -6.493 8.949 7.031 1.00 74.13 C ATOM 554 C GLY A2046 -5.826 7.754 6.349 1.00 5.13 C ATOM 555 O GLY A2046 -5.974 6.617 6.795 1.00 70.10 O ATOM 0 H GLY A2046 -5.796 10.926 7.003 1.00 61.13 H new ATOM 0 HA2 GLY A2046 -6.968 8.625 7.957 1.00 74.13 H new ATOM 0 HA3 GLY A2046 -7.281 9.345 6.390 1.00 74.13 H new ATOM 559 N MET A2047 -5.104 8.051 5.279 1.00 22.51 N ATOM 560 CA MET A2047 -4.411 7.015 4.531 1.00 32.10 C ATOM 561 C MET A2047 -3.273 6.412 5.354 1.00 41.33 C ATOM 562 O MET A2047 -3.215 5.198 5.547 1.00 1.24 O ATOM 563 CB MET A2047 -3.850 7.608 3.237 1.00 24.10 C ATOM 564 CG MET A2047 -2.718 6.740 2.683 1.00 52.24 C ATOM 565 SD MET A2047 -1.853 7.618 1.392 1.00 52.03 S ATOM 566 CE MET A2047 -1.107 8.925 2.351 1.00 44.14 C ATOM 0 H MET A2047 -4.984 8.995 4.912 1.00 22.51 H new ATOM 0 HA MET A2047 -5.123 6.223 4.298 1.00 32.10 H new ATOM 0 HB2 MET A2047 -4.645 7.692 2.496 1.00 24.10 H new ATOM 0 HB3 MET A2047 -3.482 8.617 3.424 1.00 24.10 H new ATOM 0 HG2 MET A2047 -2.025 6.477 3.483 1.00 52.24 H new ATOM 0 HG3 MET A2047 -3.122 5.807 2.292 1.00 52.24 H new ATOM 0 HE1 MET A2047 -1.373 9.890 1.920 1.00 44.14 H new ATOM 0 HE2 MET A2047 -1.469 8.875 3.378 1.00 44.14 H new ATOM 0 HE3 MET A2047 -0.023 8.810 2.342 1.00 44.14 H new ATOM 576 N PHE A2048 -2.392 7.288 5.817 1.00 10.21 N ATOM 577 CA PHE A2048 -1.257 6.857 6.616 1.00 62.11 C ATOM 578 C PHE A2048 -1.712 5.995 7.795 1.00 61.12 C ATOM 579 O PHE A2048 -1.173 4.913 8.021 1.00 34.42 O ATOM 580 CB PHE A2048 -0.583 8.122 7.153 1.00 5.53 C ATOM 581 CG PHE A2048 0.437 8.738 6.194 1.00 62.34 C ATOM 582 CD1 PHE A2048 0.020 9.572 5.204 1.00 74.33 C ATOM 583 CD2 PHE A2048 1.760 8.454 6.332 1.00 20.10 C ATOM 584 CE1 PHE A2048 0.966 10.145 4.313 1.00 55.12 C ATOM 585 CE2 PHE A2048 2.706 9.027 5.441 1.00 11.31 C ATOM 586 CZ PHE A2048 2.289 9.861 4.451 1.00 4.32 C ATOM 0 H PHE A2048 -2.442 8.294 5.654 1.00 10.21 H new ATOM 0 HA PHE A2048 -0.577 6.261 6.007 1.00 62.11 H new ATOM 0 HB2 PHE A2048 -1.350 8.863 7.376 1.00 5.53 H new ATOM 0 HB3 PHE A2048 -0.085 7.885 8.093 1.00 5.53 H new ATOM 0 HD1 PHE A2048 -1.030 9.799 5.095 1.00 74.33 H new ATOM 0 HD2 PHE A2048 2.091 7.793 7.119 1.00 20.10 H new ATOM 0 HE1 PHE A2048 0.635 10.806 3.526 1.00 55.12 H new ATOM 0 HE2 PHE A2048 3.756 8.800 5.550 1.00 11.31 H new ATOM 0 HZ PHE A2048 3.008 10.298 3.774 1.00 4.32 H new ATOM 596 N GLU A2049 -2.699 6.507 8.515 1.00 64.31 N ATOM 597 CA GLU A2049 -3.233 5.796 9.664 1.00 13.45 C ATOM 598 C GLU A2049 -3.946 4.519 9.216 1.00 43.11 C ATOM 599 O GLU A2049 -4.182 3.620 10.023 1.00 22.11 O ATOM 600 CB GLU A2049 -4.171 6.693 10.475 1.00 3.32 C ATOM 601 CG GLU A2049 -5.459 6.979 9.701 1.00 61.24 C ATOM 602 CD GLU A2049 -6.588 6.047 10.149 1.00 43.43 C ATOM 603 OE1 GLU A2049 -7.740 6.484 10.274 1.00 73.14 O ATOM 604 OE2 GLU A2049 -6.230 4.827 10.368 1.00 73.11 O ATOM 0 H GLU A2049 -3.143 7.406 8.325 1.00 64.31 H new ATOM 0 HA GLU A2049 -2.402 5.515 10.311 1.00 13.45 H new ATOM 0 HB2 GLU A2049 -4.411 6.212 11.423 1.00 3.32 H new ATOM 0 HB3 GLU A2049 -3.669 7.631 10.712 1.00 3.32 H new ATOM 0 HG2 GLU A2049 -5.757 8.016 9.854 1.00 61.24 H new ATOM 0 HG3 GLU A2049 -5.281 6.853 8.633 1.00 61.24 H new ATOM 612 N VAL A2050 -4.267 4.480 7.932 1.00 35.15 N ATOM 613 CA VAL A2050 -4.948 3.326 7.367 1.00 13.41 C ATOM 614 C VAL A2050 -3.915 2.264 6.989 1.00 12.25 C ATOM 615 O VAL A2050 -4.101 1.082 7.275 1.00 12.22 O ATOM 616 CB VAL A2050 -5.820 3.760 6.186 1.00 41.15 C ATOM 617 CG1 VAL A2050 -6.049 2.597 5.219 1.00 72.21 C ATOM 618 CG2 VAL A2050 -7.148 4.343 6.669 1.00 1.15 C ATOM 0 H VAL A2050 -4.069 5.227 7.267 1.00 35.15 H new ATOM 0 HA VAL A2050 -5.618 2.880 8.102 1.00 13.41 H new ATOM 0 HB VAL A2050 -5.289 4.544 5.647 1.00 41.15 H new ATOM 0 HG11 VAL A2050 -6.671 2.931 4.389 1.00 72.21 H new ATOM 0 HG12 VAL A2050 -5.090 2.248 4.836 1.00 72.21 H new ATOM 0 HG13 VAL A2050 -6.549 1.782 5.742 1.00 72.21 H new ATOM 0 HG21 VAL A2050 -7.748 4.643 5.810 1.00 1.15 H new ATOM 0 HG22 VAL A2050 -7.688 3.591 7.243 1.00 1.15 H new ATOM 0 HG23 VAL A2050 -6.956 5.212 7.299 1.00 1.15 H new ATOM 628 N LEU A2051 -2.847 2.722 6.352 1.00 73.42 N ATOM 629 CA LEU A2051 -1.785 1.826 5.930 1.00 11.53 C ATOM 630 C LEU A2051 -0.908 1.479 7.136 1.00 62.23 C ATOM 631 O LEU A2051 -0.515 0.327 7.312 1.00 42.31 O ATOM 632 CB LEU A2051 -1.008 2.428 4.759 1.00 2.44 C ATOM 633 CG LEU A2051 -1.775 3.421 3.883 1.00 53.21 C ATOM 634 CD1 LEU A2051 -1.067 3.633 2.545 1.00 52.34 C ATOM 635 CD2 LEU A2051 -3.228 2.977 3.698 1.00 11.42 C ATOM 0 H LEU A2051 -2.695 3.703 6.118 1.00 73.42 H new ATOM 0 HA LEU A2051 -2.202 0.891 5.557 1.00 11.53 H new ATOM 0 HB2 LEU A2051 -0.125 2.930 5.155 1.00 2.44 H new ATOM 0 HB3 LEU A2051 -0.655 1.614 4.126 1.00 2.44 H new ATOM 0 HG LEU A2051 -1.793 4.384 4.393 1.00 53.21 H new ATOM 0 HD11 LEU A2051 -1.633 4.343 1.942 1.00 52.34 H new ATOM 0 HD12 LEU A2051 -0.065 4.025 2.721 1.00 52.34 H new ATOM 0 HD13 LEU A2051 -0.997 2.683 2.016 1.00 52.34 H new ATOM 0 HD21 LEU A2051 -3.752 3.699 3.072 1.00 11.42 H new ATOM 0 HD22 LEU A2051 -3.251 1.998 3.220 1.00 11.42 H new ATOM 0 HD23 LEU A2051 -3.717 2.918 4.670 1.00 11.42 H new ATOM 647 N GLU A2052 -0.629 2.498 7.936 1.00 34.30 N ATOM 648 CA GLU A2052 0.192 2.316 9.121 1.00 24.01 C ATOM 649 C GLU A2052 -0.112 0.968 9.776 1.00 65.42 C ATOM 650 O GLU A2052 0.792 0.166 10.006 1.00 63.32 O ATOM 651 CB GLU A2052 -0.010 3.464 10.111 1.00 71.23 C ATOM 652 CG GLU A2052 1.189 4.412 10.104 1.00 2.40 C ATOM 653 CD GLU A2052 2.198 4.028 11.189 1.00 32.24 C ATOM 654 OE1 GLU A2052 1.800 3.563 12.268 1.00 0.52 O ATOM 655 OE2 GLU A2052 3.434 4.226 10.881 1.00 50.55 O ATOM 0 H GLU A2052 -0.957 3.452 7.787 1.00 34.30 H new ATOM 0 HA GLU A2052 1.239 2.323 8.817 1.00 24.01 H new ATOM 0 HB2 GLU A2052 -0.915 4.015 9.855 1.00 71.23 H new ATOM 0 HB3 GLU A2052 -0.155 3.063 11.114 1.00 71.23 H new ATOM 0 HG2 GLU A2052 1.672 4.386 9.127 1.00 2.40 H new ATOM 0 HG3 GLU A2052 0.849 5.435 10.264 1.00 2.40 H new ATOM 663 N PRO A2053 -1.422 0.753 10.068 1.00 11.13 N ATOM 664 CA PRO A2053 -1.857 -0.485 10.693 1.00 35.41 C ATOM 665 C PRO A2053 -1.859 -1.636 9.686 1.00 2.52 C ATOM 666 O PRO A2053 -1.282 -2.692 9.944 1.00 60.00 O ATOM 667 CB PRO A2053 -3.240 -0.180 11.248 1.00 23.23 C ATOM 668 CG PRO A2053 -3.719 1.062 10.515 1.00 20.43 C ATOM 669 CD PRO A2053 -2.521 1.679 9.813 1.00 75.52 C ATOM 0 HA PRO A2053 -1.186 -0.814 11.487 1.00 35.41 H new ATOM 0 HB2 PRO A2053 -3.920 -1.016 11.084 1.00 23.23 H new ATOM 0 HB3 PRO A2053 -3.200 -0.008 12.324 1.00 23.23 H new ATOM 0 HG2 PRO A2053 -4.494 0.804 9.793 1.00 20.43 H new ATOM 0 HG3 PRO A2053 -4.159 1.772 11.215 1.00 20.43 H new ATOM 0 HD2 PRO A2053 -2.704 1.792 8.744 1.00 75.52 H new ATOM 0 HD3 PRO A2053 -2.301 2.672 10.205 1.00 75.52 H new ATOM 677 N LEU A2054 -2.513 -1.395 8.558 1.00 14.51 N ATOM 678 CA LEU A2054 -2.595 -2.398 7.512 1.00 24.11 C ATOM 679 C LEU A2054 -1.196 -2.952 7.230 1.00 63.11 C ATOM 680 O LEU A2054 -0.975 -4.158 7.314 1.00 64.10 O ATOM 681 CB LEU A2054 -3.291 -1.826 6.274 1.00 11.23 C ATOM 682 CG LEU A2054 -4.809 -1.660 6.376 1.00 23.31 C ATOM 683 CD1 LEU A2054 -5.389 -1.112 5.070 1.00 4.54 C ATOM 684 CD2 LEU A2054 -5.477 -2.972 6.793 1.00 74.33 C ATOM 0 H LEU A2054 -2.991 -0.519 8.347 1.00 14.51 H new ATOM 0 HA LEU A2054 -3.211 -3.237 7.837 1.00 24.11 H new ATOM 0 HB2 LEU A2054 -2.853 -0.853 6.052 1.00 11.23 H new ATOM 0 HB3 LEU A2054 -3.072 -2.475 5.426 1.00 11.23 H new ATOM 0 HG LEU A2054 -5.021 -0.928 7.155 1.00 23.31 H new ATOM 0 HD11 LEU A2054 -6.469 -1.003 5.169 1.00 4.54 H new ATOM 0 HD12 LEU A2054 -4.945 -0.140 4.854 1.00 4.54 H new ATOM 0 HD13 LEU A2054 -5.167 -1.802 4.256 1.00 4.54 H new ATOM 0 HD21 LEU A2054 -6.555 -2.827 6.858 1.00 74.33 H new ATOM 0 HD22 LEU A2054 -5.259 -3.743 6.054 1.00 74.33 H new ATOM 0 HD23 LEU A2054 -5.093 -3.283 7.765 1.00 74.33 H new ATOM 696 N HIS A2055 -0.290 -2.043 6.900 1.00 74.41 N ATOM 697 CA HIS A2055 1.080 -2.424 6.606 1.00 52.31 C ATOM 698 C HIS A2055 1.695 -3.115 7.826 1.00 74.21 C ATOM 699 O HIS A2055 2.261 -4.200 7.710 1.00 63.34 O ATOM 700 CB HIS A2055 1.893 -1.216 6.137 1.00 0.41 C ATOM 701 CG HIS A2055 1.606 -0.797 4.715 1.00 0.23 C ATOM 702 ND1 HIS A2055 2.315 0.200 4.069 1.00 75.02 N ATOM 703 CD2 HIS A2055 0.681 -1.252 3.822 1.00 63.35 C ATOM 704 CE1 HIS A2055 1.830 0.331 2.843 1.00 52.41 C ATOM 705 NE2 HIS A2055 0.817 -0.569 2.693 1.00 72.53 N ATOM 0 H HIS A2055 -0.479 -1.043 6.830 1.00 74.41 H new ATOM 0 HA HIS A2055 1.092 -3.138 5.783 1.00 52.31 H new ATOM 0 HB2 HIS A2055 1.691 -0.375 6.800 1.00 0.41 H new ATOM 0 HB3 HIS A2055 2.954 -1.447 6.230 1.00 0.41 H new ATOM 0 HD2 HIS A2055 -0.040 -2.035 4.003 1.00 63.35 H new ATOM 0 HE1 HIS A2055 2.176 1.028 2.094 1.00 52.41 H new ATOM 0 HE2 HIS A2055 0.256 -0.696 1.851 1.00 72.53 H new ATOM 714 N ALA A2056 1.562 -2.455 8.967 1.00 12.31 N ATOM 715 CA ALA A2056 2.097 -2.991 10.207 1.00 52.11 C ATOM 716 C ALA A2056 1.610 -4.429 10.388 1.00 31.22 C ATOM 717 O ALA A2056 2.408 -5.333 10.640 1.00 35.41 O ATOM 718 CB ALA A2056 1.689 -2.086 11.372 1.00 23.14 C ATOM 0 H ALA A2056 1.092 -1.554 9.059 1.00 12.31 H new ATOM 0 HA ALA A2056 3.186 -3.013 10.177 1.00 52.11 H new ATOM 0 HB1 ALA A2056 2.090 -2.488 12.303 1.00 23.14 H new ATOM 0 HB2 ALA A2056 2.084 -1.083 11.209 1.00 23.14 H new ATOM 0 HB3 ALA A2056 0.602 -2.042 11.435 1.00 23.14 H new ATOM 724 N MET A2057 0.303 -4.599 10.254 1.00 42.44 N ATOM 725 CA MET A2057 -0.301 -5.912 10.400 1.00 23.14 C ATOM 726 C MET A2057 0.427 -6.948 9.539 1.00 1.14 C ATOM 727 O MET A2057 0.622 -8.086 9.964 1.00 25.25 O ATOM 728 CB MET A2057 -1.772 -5.849 9.984 1.00 32.12 C ATOM 729 CG MET A2057 -2.071 -6.843 8.860 1.00 15.53 C ATOM 730 SD MET A2057 -3.830 -6.938 8.580 1.00 74.53 S ATOM 731 CE MET A2057 -3.850 -7.148 6.807 1.00 41.50 C ATOM 0 H MET A2057 -0.355 -3.848 10.046 1.00 42.44 H new ATOM 0 HA MET A2057 -0.223 -6.212 11.445 1.00 23.14 H new ATOM 0 HB2 MET A2057 -2.406 -6.067 10.844 1.00 32.12 H new ATOM 0 HB3 MET A2057 -2.017 -4.839 9.655 1.00 32.12 H new ATOM 0 HG2 MET A2057 -1.565 -6.533 7.946 1.00 15.53 H new ATOM 0 HG3 MET A2057 -1.683 -7.827 9.121 1.00 15.53 H new ATOM 0 HE1 MET A2057 -4.568 -6.456 6.367 1.00 41.50 H new ATOM 0 HE2 MET A2057 -2.857 -6.945 6.405 1.00 41.50 H new ATOM 0 HE3 MET A2057 -4.137 -8.171 6.565 1.00 41.50 H new ATOM 741 N MET A2058 0.809 -6.517 8.346 1.00 72.11 N ATOM 742 CA MET A2058 1.512 -7.392 7.423 1.00 23.44 C ATOM 743 C MET A2058 2.901 -7.751 7.956 1.00 73.13 C ATOM 744 O MET A2058 3.378 -8.866 7.754 1.00 75.14 O ATOM 745 CB MET A2058 1.648 -6.700 6.066 1.00 23.14 C ATOM 746 CG MET A2058 0.296 -6.172 5.581 1.00 11.35 C ATOM 747 SD MET A2058 0.106 -6.494 3.837 1.00 71.25 S ATOM 748 CE MET A2058 -1.418 -7.422 3.856 1.00 1.24 C ATOM 0 H MET A2058 0.645 -5.573 7.997 1.00 72.11 H new ATOM 0 HA MET A2058 0.937 -8.312 7.315 1.00 23.44 H new ATOM 0 HB2 MET A2058 2.357 -5.876 6.144 1.00 23.14 H new ATOM 0 HB3 MET A2058 2.052 -7.401 5.335 1.00 23.14 H new ATOM 0 HG2 MET A2058 -0.511 -6.649 6.137 1.00 11.35 H new ATOM 0 HG3 MET A2058 0.225 -5.101 5.771 1.00 11.35 H new ATOM 0 HE1 MET A2058 -1.394 -8.177 3.070 1.00 1.24 H new ATOM 0 HE2 MET A2058 -1.535 -7.909 4.824 1.00 1.24 H new ATOM 0 HE3 MET A2058 -2.257 -6.747 3.686 1.00 1.24 H new ATOM 758 N GLU A2059 3.510 -6.784 8.627 1.00 35.31 N ATOM 759 CA GLU A2059 4.834 -6.984 9.191 1.00 72.31 C ATOM 760 C GLU A2059 4.754 -7.878 10.429 1.00 74.11 C ATOM 761 O GLU A2059 5.314 -8.974 10.445 1.00 13.32 O ATOM 762 CB GLU A2059 5.495 -5.645 9.523 1.00 4.54 C ATOM 763 CG GLU A2059 5.135 -4.583 8.484 1.00 53.13 C ATOM 764 CD GLU A2059 5.102 -5.181 7.077 1.00 24.52 C ATOM 765 OE1 GLU A2059 5.901 -6.075 6.764 1.00 63.21 O ATOM 766 OE2 GLU A2059 4.202 -4.687 6.294 1.00 70.30 O ATOM 0 H GLU A2059 3.111 -5.860 8.793 1.00 35.31 H new ATOM 0 HA GLU A2059 5.454 -7.484 8.446 1.00 72.31 H new ATOM 0 HB2 GLU A2059 5.177 -5.314 10.512 1.00 4.54 H new ATOM 0 HB3 GLU A2059 6.577 -5.769 9.561 1.00 4.54 H new ATOM 0 HG2 GLU A2059 4.163 -4.151 8.722 1.00 53.13 H new ATOM 0 HG3 GLU A2059 5.862 -3.772 8.521 1.00 53.13 H new ATOM 774 N ARG A2060 4.053 -7.378 11.437 1.00 11.32 N ATOM 775 CA ARG A2060 3.894 -8.118 12.678 1.00 24.51 C ATOM 776 C ARG A2060 2.943 -9.300 12.471 1.00 53.13 C ATOM 777 O ARG A2060 2.798 -10.145 13.354 1.00 30.30 O ATOM 778 CB ARG A2060 3.348 -7.221 13.789 1.00 64.41 C ATOM 779 CG ARG A2060 1.941 -6.724 13.451 1.00 41.13 C ATOM 780 CD ARG A2060 1.323 -5.982 14.637 1.00 54.00 C ATOM 781 NE ARG A2060 -0.025 -6.523 14.928 1.00 44.43 N ATOM 782 CZ ARG A2060 -0.249 -7.666 15.610 1.00 65.12 C ATOM 783 NH1 ARG A2060 0.783 -8.398 16.079 1.00 4.54 N ATOM 784 NH2 ARG A2060 -1.494 -8.057 15.810 1.00 13.54 N ATOM 0 H ARG A2060 3.589 -6.470 11.419 1.00 11.32 H new ATOM 0 HA ARG A2060 4.877 -8.484 12.975 1.00 24.51 H new ATOM 0 HB2 ARG A2060 3.327 -7.772 14.729 1.00 64.41 H new ATOM 0 HB3 ARG A2060 4.013 -6.370 13.934 1.00 64.41 H new ATOM 0 HG2 ARG A2060 1.983 -6.063 12.586 1.00 41.13 H new ATOM 0 HG3 ARG A2060 1.309 -7.569 13.176 1.00 41.13 H new ATOM 0 HD2 ARG A2060 1.962 -6.085 15.514 1.00 54.00 H new ATOM 0 HD3 ARG A2060 1.256 -4.917 14.415 1.00 54.00 H new ATOM 0 HE ARG A2060 -0.834 -6.000 14.592 1.00 44.43 H new ATOM 0 HH11 ARG A2060 1.742 -8.089 15.919 1.00 4.54 H new ATOM 0 HH12 ARG A2060 0.604 -9.260 16.593 1.00 4.54 H new ATOM 0 HH21 ARG A2060 -2.268 -7.498 15.451 1.00 13.54 H new ATOM 0 HH22 ARG A2060 -1.682 -8.918 16.323 1.00 13.54 H new ATOM 796 N GLY A2061 2.319 -9.319 11.303 1.00 32.12 N ATOM 797 CA GLY A2061 1.385 -10.381 10.971 1.00 3.53 C ATOM 798 C GLY A2061 1.708 -10.986 9.603 1.00 13.23 C ATOM 799 O GLY A2061 0.897 -10.911 8.681 1.00 70.52 O ATOM 0 H GLY A2061 2.442 -8.616 10.574 1.00 32.12 H new ATOM 0 HA2 GLY A2061 1.425 -11.158 11.735 1.00 3.53 H new ATOM 0 HA3 GLY A2061 0.368 -9.988 10.968 1.00 3.53 H new ATOM 803 N PRO A2062 2.924 -11.588 9.513 1.00 63.32 N ATOM 804 CA PRO A2062 3.364 -12.207 8.273 1.00 74.13 C ATOM 805 C PRO A2062 2.649 -13.538 8.041 1.00 33.41 C ATOM 806 O PRO A2062 1.606 -13.800 8.638 1.00 32.24 O ATOM 807 CB PRO A2062 4.869 -12.357 8.420 1.00 55.01 C ATOM 808 CG PRO A2062 5.153 -12.250 9.910 1.00 51.25 C ATOM 809 CD PRO A2062 3.909 -11.696 10.584 1.00 23.10 C ATOM 0 HA PRO A2062 3.122 -11.608 7.395 1.00 74.13 H new ATOM 0 HB2 PRO A2062 5.207 -13.315 8.026 1.00 55.01 H new ATOM 0 HB3 PRO A2062 5.395 -11.580 7.865 1.00 55.01 H new ATOM 0 HG2 PRO A2062 5.407 -13.227 10.321 1.00 51.25 H new ATOM 0 HG3 PRO A2062 6.007 -11.597 10.090 1.00 51.25 H new ATOM 0 HD2 PRO A2062 3.561 -12.358 11.377 1.00 23.10 H new ATOM 0 HD3 PRO A2062 4.105 -10.726 11.041 1.00 23.10 H new ATOM 817 N GLN A2063 3.237 -14.346 7.170 1.00 41.34 N ATOM 818 CA GLN A2063 2.669 -15.645 6.851 1.00 15.24 C ATOM 819 C GLN A2063 3.754 -16.722 6.892 1.00 3.52 C ATOM 820 O GLN A2063 3.745 -17.584 7.771 1.00 63.14 O ATOM 821 CB GLN A2063 1.972 -15.619 5.490 1.00 52.41 C ATOM 822 CG GLN A2063 0.593 -16.276 5.568 1.00 60.24 C ATOM 823 CD GLN A2063 0.486 -17.445 4.588 1.00 34.24 C ATOM 824 OE1 GLN A2063 0.477 -17.278 3.380 1.00 61.01 O ATOM 825 NE2 GLN A2063 0.406 -18.637 5.175 1.00 43.23 N ATOM 0 H GLN A2063 4.101 -14.126 6.675 1.00 41.34 H new ATOM 0 HA GLN A2063 1.917 -15.886 7.602 1.00 15.24 H new ATOM 0 HB2 GLN A2063 1.869 -14.589 5.150 1.00 52.41 H new ATOM 0 HB3 GLN A2063 2.585 -16.138 4.753 1.00 52.41 H new ATOM 0 HG2 GLN A2063 0.412 -16.630 6.583 1.00 60.24 H new ATOM 0 HG3 GLN A2063 -0.178 -15.539 5.345 1.00 60.24 H new ATOM 0 HE21 GLN A2063 0.419 -18.706 6.193 1.00 43.23 H new ATOM 0 HE22 GLN A2063 0.332 -19.481 4.607 1.00 43.23 H new ATOM 834 N THR A2064 4.663 -16.638 5.931 1.00 11.32 N ATOM 835 CA THR A2064 5.752 -17.596 5.848 1.00 42.11 C ATOM 836 C THR A2064 6.743 -17.181 4.758 1.00 43.01 C ATOM 837 O THR A2064 6.431 -16.338 3.918 1.00 22.34 O ATOM 838 CB THR A2064 5.146 -18.983 5.622 1.00 51.22 C ATOM 839 OG1 THR A2064 6.201 -19.728 5.019 1.00 61.12 O ATOM 840 CG2 THR A2064 4.042 -18.975 4.563 1.00 61.34 C ATOM 0 H THR A2064 4.667 -15.922 5.204 1.00 11.32 H new ATOM 0 HA THR A2064 6.326 -17.624 6.774 1.00 42.11 H new ATOM 0 HB THR A2064 4.743 -19.361 6.562 1.00 51.22 H new ATOM 0 HG1 THR A2064 5.895 -20.642 4.839 1.00 61.12 H new ATOM 0 HG21 THR A2064 3.647 -19.984 4.442 1.00 61.34 H new ATOM 0 HG22 THR A2064 3.241 -18.306 4.878 1.00 61.34 H new ATOM 0 HG23 THR A2064 4.451 -18.629 3.614 1.00 61.34 H new ATOM 848 N LEU A2065 7.919 -17.792 4.808 1.00 73.01 N ATOM 849 CA LEU A2065 8.957 -17.497 3.837 1.00 73.44 C ATOM 850 C LEU A2065 8.367 -17.571 2.426 1.00 33.35 C ATOM 851 O LEU A2065 8.846 -16.900 1.514 1.00 34.54 O ATOM 852 CB LEU A2065 10.164 -18.413 4.046 1.00 13.34 C ATOM 853 CG LEU A2065 11.519 -17.848 3.616 1.00 62.30 C ATOM 854 CD1 LEU A2065 11.520 -17.500 2.127 1.00 62.22 C ATOM 855 CD2 LEU A2065 11.915 -16.651 4.483 1.00 12.04 C ATOM 0 H LEU A2065 8.174 -18.490 5.507 1.00 73.01 H new ATOM 0 HA LEU A2065 9.329 -16.482 3.975 1.00 73.44 H new ATOM 0 HB2 LEU A2065 10.220 -18.671 5.103 1.00 13.34 H new ATOM 0 HB3 LEU A2065 9.990 -19.340 3.500 1.00 13.34 H new ATOM 0 HG LEU A2065 12.274 -18.620 3.768 1.00 62.30 H new ATOM 0 HD11 LEU A2065 12.495 -17.100 1.847 1.00 62.22 H new ATOM 0 HD12 LEU A2065 11.315 -18.397 1.543 1.00 62.22 H new ATOM 0 HD13 LEU A2065 10.751 -16.754 1.927 1.00 62.22 H new ATOM 0 HD21 LEU A2065 12.882 -16.269 4.156 1.00 12.04 H new ATOM 0 HD22 LEU A2065 11.164 -15.867 4.386 1.00 12.04 H new ATOM 0 HD23 LEU A2065 11.982 -16.963 5.525 1.00 12.04 H new ATOM 867 N LYS A2066 7.336 -18.392 2.295 1.00 64.40 N ATOM 868 CA LYS A2066 6.675 -18.563 1.012 1.00 44.32 C ATOM 869 C LYS A2066 5.892 -17.293 0.674 1.00 63.25 C ATOM 870 O LYS A2066 5.915 -16.829 -0.465 1.00 70.34 O ATOM 871 CB LYS A2066 5.820 -19.830 1.014 1.00 22.50 C ATOM 872 CG LYS A2066 6.625 -21.036 0.527 1.00 23.35 C ATOM 873 CD LYS A2066 7.018 -21.942 1.696 1.00 51.02 C ATOM 874 CE LYS A2066 8.528 -21.897 1.940 1.00 64.01 C ATOM 875 NZ LYS A2066 8.832 -22.185 3.359 1.00 3.41 N ATOM 0 H LYS A2066 6.942 -18.946 3.055 1.00 64.40 H new ATOM 0 HA LYS A2066 7.411 -18.705 0.220 1.00 44.32 H new ATOM 0 HB2 LYS A2066 5.447 -20.020 2.021 1.00 22.50 H new ATOM 0 HB3 LYS A2066 4.950 -19.687 0.374 1.00 22.50 H new ATOM 0 HG2 LYS A2066 6.037 -21.603 -0.195 1.00 23.35 H new ATOM 0 HG3 LYS A2066 7.522 -20.694 0.010 1.00 23.35 H new ATOM 0 HD2 LYS A2066 6.491 -21.629 2.597 1.00 51.02 H new ATOM 0 HD3 LYS A2066 6.710 -22.966 1.487 1.00 51.02 H new ATOM 0 HE2 LYS A2066 9.028 -22.624 1.300 1.00 64.01 H new ATOM 0 HE3 LYS A2066 8.917 -20.915 1.671 1.00 64.01 H new ATOM 0 HZ1 LYS A2066 9.861 -22.151 3.508 1.00 3.41 H new ATOM 0 HZ2 LYS A2066 8.371 -21.476 3.964 1.00 3.41 H new ATOM 0 HZ3 LYS A2066 8.478 -23.132 3.605 1.00 3.41 H new ATOM 888 N GLU A2067 5.215 -16.765 1.685 1.00 51.13 N ATOM 889 CA GLU A2067 4.427 -15.558 1.509 1.00 64.43 C ATOM 890 C GLU A2067 5.339 -14.332 1.440 1.00 14.44 C ATOM 891 O GLU A2067 4.953 -13.294 0.906 1.00 53.31 O ATOM 892 CB GLU A2067 3.393 -15.410 2.628 1.00 24.24 C ATOM 893 CG GLU A2067 2.373 -14.321 2.292 1.00 53.33 C ATOM 894 CD GLU A2067 1.221 -14.887 1.462 1.00 20.42 C ATOM 895 OE1 GLU A2067 1.106 -16.113 1.313 1.00 23.12 O ATOM 896 OE2 GLU A2067 0.424 -14.004 0.958 1.00 14.43 O ATOM 0 H GLU A2067 5.197 -17.152 2.628 1.00 51.13 H new ATOM 0 HA GLU A2067 3.886 -15.636 0.566 1.00 64.43 H new ATOM 0 HB2 GLU A2067 2.880 -16.359 2.781 1.00 24.24 H new ATOM 0 HB3 GLU A2067 3.897 -15.165 3.563 1.00 24.24 H new ATOM 0 HG2 GLU A2067 1.983 -13.886 3.212 1.00 53.33 H new ATOM 0 HG3 GLU A2067 2.862 -13.517 1.742 1.00 53.33 H new ATOM 904 N THR A2068 6.534 -14.493 1.989 1.00 45.12 N ATOM 905 CA THR A2068 7.507 -13.412 1.997 1.00 74.53 C ATOM 906 C THR A2068 7.742 -12.896 0.575 1.00 13.42 C ATOM 907 O THR A2068 8.103 -11.737 0.384 1.00 52.53 O ATOM 908 CB THR A2068 8.778 -13.925 2.676 1.00 33.40 C ATOM 909 OG1 THR A2068 8.409 -14.062 4.046 1.00 44.23 O ATOM 910 CG2 THR A2068 9.894 -12.879 2.694 1.00 71.31 C ATOM 0 H THR A2068 6.851 -15.355 2.432 1.00 45.12 H new ATOM 0 HA THR A2068 7.143 -12.555 2.564 1.00 74.53 H new ATOM 0 HB THR A2068 9.128 -14.821 2.163 1.00 33.40 H new ATOM 0 HG1 THR A2068 7.791 -14.816 4.144 1.00 44.23 H new ATOM 0 HG21 THR A2068 10.773 -13.294 3.187 1.00 71.31 H new ATOM 0 HG22 THR A2068 10.149 -12.601 1.671 1.00 71.31 H new ATOM 0 HG23 THR A2068 9.556 -11.996 3.237 1.00 71.31 H new ATOM 918 N SER A2069 7.530 -13.785 -0.385 1.00 33.14 N ATOM 919 CA SER A2069 7.715 -13.434 -1.783 1.00 71.13 C ATOM 920 C SER A2069 6.892 -12.191 -2.123 1.00 52.13 C ATOM 921 O SER A2069 7.379 -11.287 -2.801 1.00 33.12 O ATOM 922 CB SER A2069 7.325 -14.596 -2.697 1.00 72.35 C ATOM 923 OG SER A2069 8.346 -15.586 -2.770 1.00 65.00 O ATOM 0 H SER A2069 7.232 -14.747 -0.222 1.00 33.14 H new ATOM 0 HA SER A2069 8.771 -13.218 -1.946 1.00 71.13 H new ATOM 0 HB2 SER A2069 6.405 -15.051 -2.331 1.00 72.35 H new ATOM 0 HB3 SER A2069 7.117 -14.216 -3.697 1.00 72.35 H new ATOM 0 HG SER A2069 8.008 -16.370 -3.251 1.00 65.00 H new ATOM 929 N PHE A2070 5.660 -12.183 -1.636 1.00 74.11 N ATOM 930 CA PHE A2070 4.766 -11.064 -1.880 1.00 1.03 C ATOM 931 C PHE A2070 5.225 -9.818 -1.119 1.00 62.44 C ATOM 932 O PHE A2070 5.405 -8.756 -1.712 1.00 72.25 O ATOM 933 CB PHE A2070 3.384 -11.477 -1.372 1.00 1.21 C ATOM 934 CG PHE A2070 2.522 -10.308 -0.891 1.00 54.15 C ATOM 935 CD1 PHE A2070 2.630 -9.865 0.390 1.00 54.24 C ATOM 936 CD2 PHE A2070 1.649 -9.710 -1.745 1.00 74.33 C ATOM 937 CE1 PHE A2070 1.830 -8.780 0.836 1.00 21.13 C ATOM 938 CE2 PHE A2070 0.849 -8.625 -1.300 1.00 12.20 C ATOM 939 CZ PHE A2070 0.956 -8.182 -0.018 1.00 4.02 C ATOM 0 H PHE A2070 5.260 -12.934 -1.073 1.00 74.11 H new ATOM 0 HA PHE A2070 4.754 -10.823 -2.943 1.00 1.03 H new ATOM 0 HB2 PHE A2070 2.856 -12.000 -2.170 1.00 1.21 H new ATOM 0 HB3 PHE A2070 3.506 -12.186 -0.553 1.00 1.21 H new ATOM 0 HD1 PHE A2070 3.324 -10.338 1.068 1.00 54.24 H new ATOM 0 HD2 PHE A2070 1.564 -10.061 -2.763 1.00 74.33 H new ATOM 0 HE1 PHE A2070 1.915 -8.429 1.854 1.00 21.13 H new ATOM 0 HE2 PHE A2070 0.156 -8.151 -1.979 1.00 12.20 H new ATOM 0 HZ PHE A2070 0.348 -7.357 0.321 1.00 4.02 H new ATOM 949 N ASN A2071 5.402 -9.991 0.182 1.00 21.54 N ATOM 950 CA ASN A2071 5.836 -8.893 1.030 1.00 21.25 C ATOM 951 C ASN A2071 7.043 -8.206 0.388 1.00 5.15 C ATOM 952 O ASN A2071 7.186 -6.986 0.474 1.00 25.13 O ATOM 953 CB ASN A2071 6.260 -9.399 2.410 1.00 15.14 C ATOM 954 CG ASN A2071 6.548 -8.232 3.357 1.00 21.42 C ATOM 955 OD1 ASN A2071 6.767 -7.105 2.945 1.00 24.24 O ATOM 956 ND2 ASN A2071 6.534 -8.564 4.644 1.00 14.45 N ATOM 0 H ASN A2071 5.253 -10.874 0.670 1.00 21.54 H new ATOM 0 HA ASN A2071 5.002 -8.200 1.140 1.00 21.25 H new ATOM 0 HB2 ASN A2071 5.473 -10.026 2.829 1.00 15.14 H new ATOM 0 HB3 ASN A2071 7.149 -10.023 2.315 1.00 15.14 H new ATOM 0 HD21 ASN A2071 6.714 -7.856 5.355 1.00 14.45 H new ATOM 0 HD22 ASN A2071 6.344 -9.527 4.920 1.00 14.45 H new ATOM 963 N GLN A2072 7.881 -9.018 -0.241 1.00 72.01 N ATOM 964 CA GLN A2072 9.071 -8.502 -0.897 1.00 42.41 C ATOM 965 C GLN A2072 8.706 -7.885 -2.248 1.00 41.33 C ATOM 966 O GLN A2072 9.169 -6.795 -2.583 1.00 32.22 O ATOM 967 CB GLN A2072 10.125 -9.599 -1.060 1.00 25.30 C ATOM 968 CG GLN A2072 10.787 -9.929 0.279 1.00 21.45 C ATOM 969 CD GLN A2072 11.843 -11.022 0.113 1.00 1.23 C ATOM 970 OE1 GLN A2072 11.344 -12.212 -0.215 1.00 64.32 O flip ATOM 971 NE2 GLN A2072 13.032 -10.802 0.273 1.00 40.44 N flip ATOM 0 H GLN A2072 7.760 -10.028 -0.310 1.00 72.01 H new ATOM 0 HA GLN A2072 9.501 -7.722 -0.269 1.00 42.41 H new ATOM 0 HB2 GLN A2072 9.661 -10.496 -1.471 1.00 25.30 H new ATOM 0 HB3 GLN A2072 10.883 -9.277 -1.774 1.00 25.30 H new ATOM 0 HG2 GLN A2072 11.249 -9.032 0.691 1.00 21.45 H new ATOM 0 HG3 GLN A2072 10.030 -10.255 0.993 1.00 21.45 H new ATOM 0 HE21 GLN A2072 13.348 -9.865 0.524 1.00 40.44 H new ATOM 0 HE22 GLN A2072 13.710 -11.555 0.156 1.00 40.44 H new ATOM 980 N ALA A2073 7.881 -8.609 -2.991 1.00 33.43 N ATOM 981 CA ALA A2073 7.449 -8.147 -4.299 1.00 50.30 C ATOM 982 C ALA A2073 7.074 -6.666 -4.213 1.00 33.20 C ATOM 983 O ALA A2073 7.289 -5.912 -5.160 1.00 13.40 O ATOM 984 CB ALA A2073 6.288 -9.014 -4.790 1.00 2.13 C ATOM 0 H ALA A2073 7.500 -9.513 -2.711 1.00 33.43 H new ATOM 0 HA ALA A2073 8.256 -8.242 -5.025 1.00 50.30 H new ATOM 0 HB1 ALA A2073 5.964 -8.667 -5.771 1.00 2.13 H new ATOM 0 HB2 ALA A2073 6.614 -10.052 -4.861 1.00 2.13 H new ATOM 0 HB3 ALA A2073 5.458 -8.942 -4.088 1.00 2.13 H new ATOM 990 N TYR A2074 6.518 -6.294 -3.069 1.00 4.21 N ATOM 991 CA TYR A2074 6.110 -4.917 -2.847 1.00 11.41 C ATOM 992 C TYR A2074 7.037 -4.226 -1.842 1.00 71.22 C ATOM 993 O TYR A2074 7.203 -3.009 -1.883 1.00 40.01 O ATOM 994 CB TYR A2074 4.699 -4.984 -2.258 1.00 45.41 C ATOM 995 CG TYR A2074 3.653 -5.554 -3.218 1.00 40.24 C ATOM 996 CD1 TYR A2074 3.286 -4.841 -4.340 1.00 22.22 C ATOM 997 CD2 TYR A2074 3.074 -6.780 -2.959 1.00 61.41 C ATOM 998 CE1 TYR A2074 2.300 -5.377 -5.244 1.00 1.23 C ATOM 999 CE2 TYR A2074 2.088 -7.315 -3.861 1.00 44.31 C ATOM 1000 CZ TYR A2074 1.750 -6.588 -4.959 1.00 51.44 C ATOM 1001 OH TYR A2074 0.819 -7.095 -5.811 1.00 54.22 O ATOM 0 H TYR A2074 6.340 -6.923 -2.286 1.00 4.21 H new ATOM 0 HA TYR A2074 6.148 -4.351 -3.778 1.00 11.41 H new ATOM 0 HB2 TYR A2074 4.721 -5.595 -1.356 1.00 45.41 H new ATOM 0 HB3 TYR A2074 4.394 -3.982 -1.957 1.00 45.41 H new ATOM 0 HD1 TYR A2074 3.738 -3.881 -4.541 1.00 22.22 H new ATOM 0 HD2 TYR A2074 3.361 -7.338 -2.080 1.00 61.41 H new ATOM 0 HE1 TYR A2074 2.005 -4.830 -6.127 1.00 1.23 H new ATOM 0 HE2 TYR A2074 1.627 -8.273 -3.670 1.00 44.31 H new ATOM 0 HH TYR A2074 0.748 -8.063 -5.679 1.00 54.22 H new ATOM 1011 N GLY A2075 7.615 -5.034 -0.967 1.00 14.12 N ATOM 1012 CA GLY A2075 8.519 -4.516 0.045 1.00 50.30 C ATOM 1013 C GLY A2075 9.448 -3.452 -0.543 1.00 13.31 C ATOM 1014 O GLY A2075 9.925 -2.574 0.174 1.00 50.21 O ATOM 0 H GLY A2075 7.475 -6.044 -0.938 1.00 14.12 H new ATOM 0 HA2 GLY A2075 7.944 -4.088 0.867 1.00 50.30 H new ATOM 0 HA3 GLY A2075 9.111 -5.331 0.461 1.00 50.30 H new ATOM 1018 N ARG A2076 9.679 -3.567 -1.843 1.00 62.33 N ATOM 1019 CA ARG A2076 10.542 -2.626 -2.535 1.00 64.12 C ATOM 1020 C ARG A2076 9.776 -1.341 -2.858 1.00 63.34 C ATOM 1021 O ARG A2076 10.277 -0.241 -2.628 1.00 64.21 O ATOM 1022 CB ARG A2076 11.084 -3.228 -3.834 1.00 14.44 C ATOM 1023 CG ARG A2076 12.090 -2.283 -4.498 1.00 35.44 C ATOM 1024 CD ARG A2076 13.249 -1.963 -3.553 1.00 63.41 C ATOM 1025 NE ARG A2076 14.540 -2.225 -4.228 1.00 54.10 N ATOM 1026 CZ ARG A2076 15.021 -1.488 -5.253 1.00 62.20 C ATOM 1027 NH1 ARG A2076 14.320 -0.437 -5.729 1.00 42.22 N ATOM 1028 NH2 ARG A2076 16.185 -1.812 -5.782 1.00 3.42 N ATOM 0 H ARG A2076 9.283 -4.298 -2.435 1.00 62.33 H new ATOM 0 HA ARG A2076 11.380 -2.398 -1.876 1.00 64.12 H new ATOM 0 HB2 ARG A2076 11.562 -4.185 -3.624 1.00 14.44 H new ATOM 0 HB3 ARG A2076 10.260 -3.427 -4.519 1.00 14.44 H new ATOM 0 HG2 ARG A2076 12.475 -2.739 -5.410 1.00 35.44 H new ATOM 0 HG3 ARG A2076 11.589 -1.360 -4.790 1.00 35.44 H new ATOM 0 HD2 ARG A2076 13.197 -0.920 -3.241 1.00 63.41 H new ATOM 0 HD3 ARG A2076 13.171 -2.570 -2.651 1.00 63.41 H new ATOM 0 HE ARG A2076 15.101 -3.011 -3.899 1.00 54.10 H new ATOM 0 HH11 ARG A2076 13.420 -0.194 -5.314 1.00 42.22 H new ATOM 0 HH12 ARG A2076 14.690 0.114 -6.503 1.00 42.22 H new ATOM 0 HH21 ARG A2076 16.707 -2.608 -5.417 1.00 3.42 H new ATOM 0 HH22 ARG A2076 16.563 -1.266 -6.556 1.00 3.42 H new ATOM 1040 N ASP A2077 8.576 -1.523 -3.387 1.00 14.01 N ATOM 1041 CA ASP A2077 7.735 -0.391 -3.742 1.00 23.42 C ATOM 1042 C ASP A2077 7.326 0.355 -2.472 1.00 25.12 C ATOM 1043 O ASP A2077 7.476 1.573 -2.388 1.00 42.04 O ATOM 1044 CB ASP A2077 6.461 -0.854 -4.451 1.00 34.04 C ATOM 1045 CG ASP A2077 6.687 -1.711 -5.698 1.00 23.41 C ATOM 1046 OD1 ASP A2077 6.814 -1.190 -6.817 1.00 11.44 O ATOM 1047 OD2 ASP A2077 6.732 -2.983 -5.485 1.00 41.43 O ATOM 0 H ASP A2077 8.165 -2.437 -3.579 1.00 14.01 H new ATOM 0 HA ASP A2077 8.305 0.256 -4.409 1.00 23.42 H new ATOM 0 HB2 ASP A2077 5.856 -1.422 -3.744 1.00 34.04 H new ATOM 0 HB3 ASP A2077 5.881 0.025 -4.733 1.00 34.04 H new ATOM 1053 N LEU A2078 6.817 -0.406 -1.515 1.00 14.43 N ATOM 1054 CA LEU A2078 6.384 0.169 -0.252 1.00 3.51 C ATOM 1055 C LEU A2078 7.538 0.967 0.361 1.00 15.15 C ATOM 1056 O LEU A2078 7.328 2.050 0.906 1.00 34.04 O ATOM 1057 CB LEU A2078 5.832 -0.920 0.670 1.00 74.23 C ATOM 1058 CG LEU A2078 4.370 -1.310 0.446 1.00 70.13 C ATOM 1059 CD1 LEU A2078 4.162 -1.862 -0.966 1.00 13.25 C ATOM 1060 CD2 LEU A2078 3.891 -2.287 1.521 1.00 4.24 C ATOM 0 H LEU A2078 6.694 -1.416 -1.588 1.00 14.43 H new ATOM 0 HA LEU A2078 5.562 0.867 -0.412 1.00 3.51 H new ATOM 0 HB2 LEU A2078 6.447 -1.812 0.555 1.00 74.23 H new ATOM 0 HB3 LEU A2078 5.945 -0.586 1.702 1.00 74.23 H new ATOM 0 HG LEU A2078 3.759 -0.412 0.535 1.00 70.13 H new ATOM 0 HD11 LEU A2078 3.115 -2.132 -1.100 1.00 13.25 H new ATOM 0 HD12 LEU A2078 4.438 -1.103 -1.698 1.00 13.25 H new ATOM 0 HD13 LEU A2078 4.785 -2.745 -1.107 1.00 13.25 H new ATOM 0 HD21 LEU A2078 2.849 -2.547 1.338 1.00 4.24 H new ATOM 0 HD22 LEU A2078 4.501 -3.190 1.490 1.00 4.24 H new ATOM 0 HD23 LEU A2078 3.981 -1.821 2.502 1.00 4.24 H new ATOM 1072 N MET A2079 8.731 0.401 0.252 1.00 44.32 N ATOM 1073 CA MET A2079 9.916 1.048 0.788 1.00 3.15 C ATOM 1074 C MET A2079 10.116 2.431 0.166 1.00 52.43 C ATOM 1075 O MET A2079 10.322 3.413 0.880 1.00 64.45 O ATOM 1076 CB MET A2079 11.145 0.179 0.504 1.00 63.21 C ATOM 1077 CG MET A2079 12.393 0.758 1.171 1.00 15.41 C ATOM 1078 SD MET A2079 13.157 -0.473 2.212 1.00 12.01 S ATOM 1079 CE MET A2079 11.734 -1.015 3.145 1.00 4.13 C ATOM 0 H MET A2079 8.902 -0.498 -0.199 1.00 44.32 H new ATOM 0 HA MET A2079 9.785 1.169 1.863 1.00 3.15 H new ATOM 0 HB2 MET A2079 10.971 -0.833 0.868 1.00 63.21 H new ATOM 0 HB3 MET A2079 11.303 0.108 -0.572 1.00 63.21 H new ATOM 0 HG2 MET A2079 13.099 1.092 0.411 1.00 15.41 H new ATOM 0 HG3 MET A2079 12.126 1.632 1.764 1.00 15.41 H new ATOM 0 HE1 MET A2079 12.046 -1.309 4.147 1.00 4.13 H new ATOM 0 HE2 MET A2079 11.012 -0.201 3.214 1.00 4.13 H new ATOM 0 HE3 MET A2079 11.274 -1.867 2.644 1.00 4.13 H new ATOM 1089 N GLU A2080 10.050 2.465 -1.157 1.00 55.44 N ATOM 1090 CA GLU A2080 10.220 3.714 -1.881 1.00 21.11 C ATOM 1091 C GLU A2080 8.993 4.609 -1.694 1.00 30.12 C ATOM 1092 O GLU A2080 9.125 5.788 -1.372 1.00 11.50 O ATOM 1093 CB GLU A2080 10.487 3.453 -3.367 1.00 0.13 C ATOM 1094 CG GLU A2080 10.961 4.727 -4.070 1.00 2.13 C ATOM 1095 CD GLU A2080 11.835 4.390 -5.280 1.00 32.32 C ATOM 1096 OE1 GLU A2080 11.377 4.510 -6.426 1.00 70.42 O ATOM 1097 OE2 GLU A2080 13.029 3.993 -4.999 1.00 35.25 O ATOM 0 H GLU A2080 9.881 1.649 -1.746 1.00 55.44 H new ATOM 0 HA GLU A2080 11.088 4.232 -1.473 1.00 21.11 H new ATOM 0 HB2 GLU A2080 11.241 2.673 -3.473 1.00 0.13 H new ATOM 0 HB3 GLU A2080 9.579 3.086 -3.845 1.00 0.13 H new ATOM 0 HG2 GLU A2080 10.099 5.312 -4.391 1.00 2.13 H new ATOM 0 HG3 GLU A2080 11.524 5.345 -3.371 1.00 2.13 H new ATOM 1105 N ALA A2081 7.830 4.014 -1.903 1.00 63.33 N ATOM 1106 CA ALA A2081 6.579 4.742 -1.762 1.00 0.50 C ATOM 1107 C ALA A2081 6.483 5.308 -0.342 1.00 43.42 C ATOM 1108 O ALA A2081 6.099 6.462 -0.155 1.00 51.31 O ATOM 1109 CB ALA A2081 5.409 3.820 -2.102 1.00 33.13 C ATOM 0 H ALA A2081 7.726 3.035 -2.169 1.00 63.33 H new ATOM 0 HA ALA A2081 6.543 5.581 -2.456 1.00 0.50 H new ATOM 0 HB1 ALA A2081 4.472 4.367 -1.996 1.00 33.13 H new ATOM 0 HB2 ALA A2081 5.510 3.468 -3.129 1.00 33.13 H new ATOM 0 HB3 ALA A2081 5.410 2.966 -1.424 1.00 33.13 H new ATOM 1115 N GLN A2082 6.839 4.470 0.620 1.00 33.43 N ATOM 1116 CA GLN A2082 6.798 4.873 2.016 1.00 24.41 C ATOM 1117 C GLN A2082 7.799 5.997 2.274 1.00 3.52 C ATOM 1118 O GLN A2082 7.569 6.859 3.120 1.00 61.33 O ATOM 1119 CB GLN A2082 7.060 3.680 2.937 1.00 35.11 C ATOM 1120 CG GLN A2082 7.075 4.115 4.403 1.00 14.13 C ATOM 1121 CD GLN A2082 8.429 3.818 5.052 1.00 74.14 C ATOM 1122 OE1 GLN A2082 9.445 4.408 4.723 1.00 65.11 O ATOM 1123 NE2 GLN A2082 8.388 2.874 5.986 1.00 71.01 N ATOM 0 H GLN A2082 7.157 3.514 0.461 1.00 33.43 H new ATOM 0 HA GLN A2082 5.799 5.248 2.237 1.00 24.41 H new ATOM 0 HB2 GLN A2082 6.290 2.923 2.786 1.00 35.11 H new ATOM 0 HB3 GLN A2082 8.014 3.220 2.680 1.00 35.11 H new ATOM 0 HG2 GLN A2082 6.862 5.182 4.471 1.00 14.13 H new ATOM 0 HG3 GLN A2082 6.286 3.597 4.947 1.00 14.13 H new ATOM 0 HE21 GLN A2082 7.504 2.420 6.213 1.00 71.01 H new ATOM 0 HE22 GLN A2082 9.241 2.604 6.476 1.00 71.01 H new ATOM 1132 N GLU A2083 8.896 5.954 1.529 1.00 61.41 N ATOM 1133 CA GLU A2083 9.937 6.959 1.666 1.00 32.41 C ATOM 1134 C GLU A2083 9.441 8.310 1.148 1.00 63.32 C ATOM 1135 O GLU A2083 9.793 9.356 1.692 1.00 23.14 O ATOM 1136 CB GLU A2083 11.212 6.530 0.943 1.00 24.23 C ATOM 1137 CG GLU A2083 11.659 7.593 -0.062 1.00 74.23 C ATOM 1138 CD GLU A2083 13.001 7.223 -0.694 1.00 42.13 C ATOM 1139 OE1 GLU A2083 13.216 6.057 -1.056 1.00 32.33 O ATOM 1140 OE2 GLU A2083 13.839 8.198 -0.806 1.00 51.53 O ATOM 0 H GLU A2083 9.086 5.238 0.828 1.00 61.41 H new ATOM 0 HA GLU A2083 10.177 7.063 2.724 1.00 32.41 H new ATOM 0 HB2 GLU A2083 12.005 6.356 1.670 1.00 24.23 H new ATOM 0 HB3 GLU A2083 11.041 5.586 0.426 1.00 24.23 H new ATOM 0 HG2 GLU A2083 10.904 7.702 -0.841 1.00 74.23 H new ATOM 0 HG3 GLU A2083 11.743 8.558 0.438 1.00 74.23 H new ATOM 1148 N TRP A2084 8.628 8.246 0.103 1.00 52.24 N ATOM 1149 CA TRP A2084 8.081 9.452 -0.496 1.00 12.40 C ATOM 1150 C TRP A2084 7.049 10.031 0.473 1.00 54.23 C ATOM 1151 O TRP A2084 6.903 11.250 0.576 1.00 63.20 O ATOM 1152 CB TRP A2084 7.503 9.162 -1.882 1.00 52.12 C ATOM 1153 CG TRP A2084 8.561 8.975 -2.972 1.00 4.45 C ATOM 1154 CD1 TRP A2084 9.017 7.826 -3.489 1.00 42.42 C ATOM 1155 CD2 TRP A2084 9.281 10.019 -3.658 1.00 42.34 C ATOM 1156 NE1 TRP A2084 9.976 8.054 -4.456 1.00 72.50 N ATOM 1157 CE2 TRP A2084 10.141 9.430 -4.562 1.00 65.12 C ATOM 1158 CE3 TRP A2084 9.209 11.417 -3.521 1.00 20.45 C ATOM 1159 CZ2 TRP A2084 10.994 10.159 -5.399 1.00 32.34 C ATOM 1160 CZ3 TRP A2084 10.067 12.134 -4.364 1.00 0.12 C ATOM 1161 CH2 TRP A2084 10.938 11.553 -5.280 1.00 51.03 C ATOM 0 H TRP A2084 8.335 7.377 -0.344 1.00 52.24 H new ATOM 0 HA TRP A2084 8.864 10.193 -0.657 1.00 12.40 H new ATOM 0 HB2 TRP A2084 6.890 8.263 -1.827 1.00 52.12 H new ATOM 0 HB3 TRP A2084 6.843 9.981 -2.168 1.00 52.12 H new ATOM 0 HD1 TRP A2084 8.678 6.846 -3.188 1.00 42.42 H new ATOM 0 HE1 TRP A2084 10.472 7.343 -4.994 1.00 72.50 H new ATOM 0 HE3 TRP A2084 8.544 11.900 -2.820 1.00 20.45 H new ATOM 0 HZ2 TRP A2084 11.659 9.673 -6.098 1.00 32.34 H new ATOM 0 HZ3 TRP A2084 10.051 13.212 -4.299 1.00 0.12 H new ATOM 0 HH2 TRP A2084 11.569 12.175 -5.897 1.00 51.03 H new ATOM 1172 N CYS A2085 6.357 9.135 1.160 1.00 5.25 N ATOM 1173 CA CYS A2085 5.343 9.542 2.116 1.00 40.03 C ATOM 1174 C CYS A2085 6.042 10.214 3.300 1.00 10.41 C ATOM 1175 O CYS A2085 5.680 11.321 3.693 1.00 11.14 O ATOM 1176 CB CYS A2085 4.476 8.362 2.560 1.00 74.33 C ATOM 1177 SG CYS A2085 2.872 8.398 1.678 1.00 41.23 S ATOM 0 H CYS A2085 6.479 8.126 1.073 1.00 5.25 H new ATOM 0 HA CYS A2085 4.661 10.251 1.647 1.00 40.03 H new ATOM 0 HB2 CYS A2085 4.992 7.424 2.356 1.00 74.33 H new ATOM 0 HB3 CYS A2085 4.310 8.407 3.636 1.00 74.33 H new ATOM 0 HG CYS A2085 2.043 9.170 2.316 1.00 41.23 H new ATOM 1183 N ARG A2086 7.032 9.512 3.837 1.00 55.10 N ATOM 1184 CA ARG A2086 7.783 10.026 4.969 1.00 12.40 C ATOM 1185 C ARG A2086 8.444 11.360 4.607 1.00 25.44 C ATOM 1186 O ARG A2086 8.367 12.321 5.369 1.00 52.14 O ATOM 1187 CB ARG A2086 8.861 9.035 5.409 1.00 72.34 C ATOM 1188 CG ARG A2086 8.363 8.161 6.562 1.00 2.22 C ATOM 1189 CD ARG A2086 7.555 6.972 6.039 1.00 3.43 C ATOM 1190 NE ARG A2086 6.691 6.434 7.113 1.00 14.40 N ATOM 1191 CZ ARG A2086 7.127 5.620 8.099 1.00 63.15 C ATOM 1192 NH1 ARG A2086 8.421 5.241 8.154 1.00 52.45 N ATOM 1193 NH2 ARG A2086 6.266 5.200 9.007 1.00 21.22 N ATOM 0 H ARG A2086 7.330 8.593 3.509 1.00 55.10 H new ATOM 0 HA ARG A2086 7.083 10.174 5.791 1.00 12.40 H new ATOM 0 HB2 ARG A2086 9.146 8.405 4.567 1.00 72.34 H new ATOM 0 HB3 ARG A2086 9.754 9.577 5.718 1.00 72.34 H new ATOM 0 HG2 ARG A2086 9.212 7.801 7.143 1.00 2.22 H new ATOM 0 HG3 ARG A2086 7.746 8.757 7.235 1.00 2.22 H new ATOM 0 HD2 ARG A2086 6.944 7.282 5.191 1.00 3.43 H new ATOM 0 HD3 ARG A2086 8.229 6.194 5.679 1.00 3.43 H new ATOM 0 HE ARG A2086 5.705 6.694 7.109 1.00 14.40 H new ATOM 0 HH11 ARG A2086 9.079 5.569 7.447 1.00 52.45 H new ATOM 0 HH12 ARG A2086 8.741 4.626 8.902 1.00 52.45 H new ATOM 0 HH21 ARG A2086 5.290 5.491 8.957 1.00 21.22 H new ATOM 0 HH22 ARG A2086 6.577 4.585 9.759 1.00 21.22 H new ATOM 1205 N LYS A2087 9.076 11.372 3.443 1.00 63.42 N ATOM 1206 CA LYS A2087 9.751 12.570 2.971 1.00 54.03 C ATOM 1207 C LYS A2087 8.743 13.719 2.894 1.00 53.42 C ATOM 1208 O LYS A2087 9.069 14.857 3.227 1.00 63.22 O ATOM 1209 CB LYS A2087 10.470 12.293 1.648 1.00 54.34 C ATOM 1210 CG LYS A2087 10.872 13.601 0.960 1.00 22.25 C ATOM 1211 CD LYS A2087 10.115 13.780 -0.358 1.00 3.30 C ATOM 1212 CE LYS A2087 11.059 13.640 -1.554 1.00 21.41 C ATOM 1213 NZ LYS A2087 11.576 12.256 -1.647 1.00 5.31 N ATOM 0 H LYS A2087 9.135 10.572 2.813 1.00 63.42 H new ATOM 0 HA LYS A2087 10.528 12.872 3.673 1.00 54.03 H new ATOM 0 HB2 LYS A2087 11.357 11.687 1.832 1.00 54.34 H new ATOM 0 HB3 LYS A2087 9.820 11.716 0.990 1.00 54.34 H new ATOM 0 HG2 LYS A2087 10.664 14.443 1.621 1.00 22.25 H new ATOM 0 HG3 LYS A2087 11.945 13.602 0.771 1.00 22.25 H new ATOM 0 HD2 LYS A2087 9.320 13.038 -0.429 1.00 3.30 H new ATOM 0 HD3 LYS A2087 9.639 14.760 -0.378 1.00 3.30 H new ATOM 0 HE2 LYS A2087 10.533 13.901 -2.472 1.00 21.41 H new ATOM 0 HE3 LYS A2087 11.889 14.339 -1.453 1.00 21.41 H new ATOM 0 HZ1 LYS A2087 12.608 12.279 -1.777 1.00 5.31 H new ATOM 0 HZ2 LYS A2087 11.348 11.741 -0.773 1.00 5.31 H new ATOM 0 HZ3 LYS A2087 11.136 11.775 -2.457 1.00 5.31 H new ATOM 1226 N TYR A2088 7.540 13.381 2.455 1.00 70.14 N ATOM 1227 CA TYR A2088 6.482 14.370 2.331 1.00 71.15 C ATOM 1228 C TYR A2088 5.980 14.811 3.707 1.00 45.32 C ATOM 1229 O TYR A2088 5.713 15.992 3.925 1.00 13.23 O ATOM 1230 CB TYR A2088 5.342 13.678 1.583 1.00 22.32 C ATOM 1231 CG TYR A2088 3.959 14.263 1.875 1.00 32.10 C ATOM 1232 CD1 TYR A2088 3.236 13.816 2.962 1.00 2.14 C ATOM 1233 CD2 TYR A2088 3.435 15.239 1.053 1.00 41.11 C ATOM 1234 CE1 TYR A2088 1.935 14.367 3.237 1.00 3.55 C ATOM 1235 CE2 TYR A2088 2.134 15.792 1.329 1.00 31.53 C ATOM 1236 CZ TYR A2088 1.447 15.327 2.407 1.00 53.34 C ATOM 1237 OH TYR A2088 0.219 15.848 2.667 1.00 13.33 O ATOM 0 H TYR A2088 7.274 12.435 2.180 1.00 70.14 H new ATOM 0 HA TYR A2088 6.845 15.256 1.811 1.00 71.15 H new ATOM 0 HB2 TYR A2088 5.533 13.742 0.512 1.00 22.32 H new ATOM 0 HB3 TYR A2088 5.340 12.620 1.844 1.00 22.32 H new ATOM 0 HD1 TYR A2088 3.646 13.053 3.606 1.00 2.14 H new ATOM 0 HD2 TYR A2088 4.001 15.589 0.202 1.00 41.11 H new ATOM 0 HE1 TYR A2088 1.359 14.025 4.084 1.00 3.55 H new ATOM 0 HE2 TYR A2088 1.714 16.558 0.695 1.00 31.53 H new ATOM 0 HH TYR A2088 -0.054 16.428 1.926 1.00 13.33 H new ATOM 1247 N MET A2089 5.867 13.839 4.599 1.00 14.24 N ATOM 1248 CA MET A2089 5.401 14.111 5.948 1.00 41.53 C ATOM 1249 C MET A2089 6.321 15.109 6.655 1.00 41.43 C ATOM 1250 O MET A2089 5.853 15.981 7.386 1.00 44.30 O ATOM 1251 CB MET A2089 5.354 12.807 6.746 1.00 31.23 C ATOM 1252 CG MET A2089 4.162 11.946 6.322 1.00 63.15 C ATOM 1253 SD MET A2089 3.245 11.419 7.759 1.00 22.11 S ATOM 1254 CE MET A2089 1.596 11.886 7.263 1.00 44.22 C ATOM 0 H MET A2089 6.090 12.861 4.414 1.00 14.24 H new ATOM 0 HA MET A2089 4.403 14.545 5.886 1.00 41.53 H new ATOM 0 HB2 MET A2089 6.280 12.251 6.596 1.00 31.23 H new ATOM 0 HB3 MET A2089 5.285 13.030 7.811 1.00 31.23 H new ATOM 0 HG2 MET A2089 3.513 12.513 5.655 1.00 63.15 H new ATOM 0 HG3 MET A2089 4.511 11.077 5.765 1.00 63.15 H new ATOM 0 HE1 MET A2089 0.901 11.082 7.507 1.00 44.22 H new ATOM 0 HE2 MET A2089 1.301 12.793 7.790 1.00 44.22 H new ATOM 0 HE3 MET A2089 1.577 12.068 6.188 1.00 44.22 H new ATOM 1264 N LYS A2090 7.614 14.948 6.412 1.00 24.44 N ATOM 1265 CA LYS A2090 8.604 15.823 7.016 1.00 61.30 C ATOM 1266 C LYS A2090 8.827 17.035 6.108 1.00 74.14 C ATOM 1267 O LYS A2090 8.718 18.176 6.553 1.00 74.01 O ATOM 1268 CB LYS A2090 9.883 15.046 7.332 1.00 45.43 C ATOM 1269 CG LYS A2090 10.183 15.071 8.832 1.00 74.40 C ATOM 1270 CD LYS A2090 10.852 16.385 9.237 1.00 54.32 C ATOM 1271 CE LYS A2090 10.431 16.804 10.648 1.00 4.13 C ATOM 1272 NZ LYS A2090 11.302 17.891 11.147 1.00 15.32 N ATOM 0 H LYS A2090 7.999 14.224 5.805 1.00 24.44 H new ATOM 0 HA LYS A2090 8.246 16.203 7.973 1.00 61.30 H new ATOM 0 HB2 LYS A2090 9.779 14.015 6.995 1.00 45.43 H new ATOM 0 HB3 LYS A2090 10.720 15.477 6.783 1.00 45.43 H new ATOM 0 HG2 LYS A2090 9.258 14.942 9.393 1.00 74.40 H new ATOM 0 HG3 LYS A2090 10.832 14.234 9.090 1.00 74.40 H new ATOM 0 HD2 LYS A2090 11.935 16.273 9.195 1.00 54.32 H new ATOM 0 HD3 LYS A2090 10.585 17.167 8.527 1.00 54.32 H new ATOM 0 HE2 LYS A2090 9.393 17.136 10.641 1.00 4.13 H new ATOM 0 HE3 LYS A2090 10.487 15.948 11.320 1.00 4.13 H new ATOM 0 HZ1 LYS A2090 11.003 18.163 12.105 1.00 15.32 H new ATOM 0 HZ2 LYS A2090 12.288 17.562 11.173 1.00 15.32 H new ATOM 0 HZ3 LYS A2090 11.228 18.713 10.514 1.00 15.32 H new ATOM 1285 N SER A2091 9.137 16.745 4.854 1.00 2.52 N ATOM 1286 CA SER A2091 9.377 17.796 3.878 1.00 12.43 C ATOM 1287 C SER A2091 8.091 18.587 3.635 1.00 32.21 C ATOM 1288 O SER A2091 8.004 19.763 3.987 1.00 35.31 O ATOM 1289 CB SER A2091 9.903 17.219 2.563 1.00 2.35 C ATOM 1290 OG SER A2091 10.493 18.220 1.740 1.00 72.24 O ATOM 0 H SER A2091 9.228 15.797 4.490 1.00 2.52 H new ATOM 0 HA SER A2091 10.138 18.466 4.278 1.00 12.43 H new ATOM 0 HB2 SER A2091 10.639 16.444 2.776 1.00 2.35 H new ATOM 0 HB3 SER A2091 9.085 16.742 2.023 1.00 2.35 H new ATOM 0 HG SER A2091 10.818 17.812 0.911 1.00 72.24 H new ATOM 1296 N GLY A2092 7.123 17.911 3.035 1.00 63.52 N ATOM 1297 CA GLY A2092 5.844 18.535 2.740 1.00 1.25 C ATOM 1298 C GLY A2092 5.790 19.010 1.285 1.00 75.42 C ATOM 1299 O GLY A2092 6.174 20.139 0.983 1.00 71.22 O ATOM 0 H GLY A2092 7.198 16.936 2.745 1.00 63.52 H new ATOM 0 HA2 GLY A2092 5.037 17.826 2.925 1.00 1.25 H new ATOM 0 HA3 GLY A2092 5.685 19.381 3.409 1.00 1.25 H new ATOM 1303 N ASN A2093 5.308 18.124 0.426 1.00 53.14 N ATOM 1304 CA ASN A2093 5.196 18.438 -0.989 1.00 53.13 C ATOM 1305 C ASN A2093 4.237 17.449 -1.652 1.00 0.13 C ATOM 1306 O ASN A2093 4.570 16.276 -1.822 1.00 72.14 O ATOM 1307 CB ASN A2093 6.553 18.323 -1.686 1.00 50.12 C ATOM 1308 CG ASN A2093 6.879 19.600 -2.465 1.00 63.44 C ATOM 1309 OD1 ASN A2093 6.280 20.645 -2.271 1.00 25.52 O ATOM 1310 ND2 ASN A2093 7.856 19.456 -3.354 1.00 5.13 N ATOM 0 H ASN A2093 4.991 17.189 0.682 1.00 53.14 H new ATOM 0 HA ASN A2093 4.829 19.460 -1.081 1.00 53.13 H new ATOM 0 HB2 ASN A2093 7.331 18.135 -0.946 1.00 50.12 H new ATOM 0 HB3 ASN A2093 6.546 17.470 -2.365 1.00 50.12 H new ATOM 0 HD21 ASN A2093 8.147 20.249 -3.925 1.00 5.13 H new ATOM 0 HD22 ASN A2093 8.315 18.552 -3.465 1.00 5.13 H new ATOM 1317 N VAL A2094 3.068 17.956 -2.010 1.00 72.13 N ATOM 1318 CA VAL A2094 2.058 17.131 -2.652 1.00 21.50 C ATOM 1319 C VAL A2094 2.714 16.296 -3.756 1.00 45.52 C ATOM 1320 O VAL A2094 2.398 15.120 -3.919 1.00 71.14 O ATOM 1321 CB VAL A2094 0.914 18.007 -3.165 1.00 54.32 C ATOM 1322 CG1 VAL A2094 0.125 17.291 -4.264 1.00 42.24 C ATOM 1323 CG2 VAL A2094 -0.006 18.434 -2.018 1.00 64.22 C ATOM 0 H VAL A2094 2.796 18.929 -1.868 1.00 72.13 H new ATOM 0 HA VAL A2094 1.620 16.436 -1.935 1.00 21.50 H new ATOM 0 HB VAL A2094 1.349 18.907 -3.598 1.00 54.32 H new ATOM 0 HG11 VAL A2094 -0.682 17.936 -4.611 1.00 42.24 H new ATOM 0 HG12 VAL A2094 0.789 17.060 -5.097 1.00 42.24 H new ATOM 0 HG13 VAL A2094 -0.294 16.366 -3.867 1.00 42.24 H new ATOM 0 HG21 VAL A2094 -0.811 19.056 -2.410 1.00 64.22 H new ATOM 0 HG22 VAL A2094 -0.429 17.549 -1.543 1.00 64.22 H new ATOM 0 HG23 VAL A2094 0.567 19.001 -1.284 1.00 64.22 H new ATOM 1333 N LYS A2095 3.615 16.941 -4.482 1.00 24.35 N ATOM 1334 CA LYS A2095 4.318 16.273 -5.566 1.00 12.14 C ATOM 1335 C LYS A2095 4.880 14.943 -5.059 1.00 2.35 C ATOM 1336 O LYS A2095 4.808 13.930 -5.753 1.00 73.44 O ATOM 1337 CB LYS A2095 5.378 17.199 -6.168 1.00 55.04 C ATOM 1338 CG LYS A2095 5.673 16.821 -7.621 1.00 51.23 C ATOM 1339 CD LYS A2095 6.374 17.966 -8.352 1.00 61.50 C ATOM 1340 CE LYS A2095 7.769 17.546 -8.819 1.00 54.04 C ATOM 1341 NZ LYS A2095 8.600 18.737 -9.110 1.00 40.54 N ATOM 0 H LYS A2095 3.875 17.917 -4.342 1.00 24.35 H new ATOM 0 HA LYS A2095 3.631 16.041 -6.380 1.00 12.14 H new ATOM 0 HB2 LYS A2095 5.034 18.232 -6.120 1.00 55.04 H new ATOM 0 HB3 LYS A2095 6.294 17.140 -5.580 1.00 55.04 H new ATOM 0 HG2 LYS A2095 6.299 15.929 -7.649 1.00 51.23 H new ATOM 0 HG3 LYS A2095 4.743 16.573 -8.132 1.00 51.23 H new ATOM 0 HD2 LYS A2095 5.777 18.274 -9.210 1.00 61.50 H new ATOM 0 HD3 LYS A2095 6.452 18.830 -7.692 1.00 61.50 H new ATOM 0 HE2 LYS A2095 8.249 16.940 -8.051 1.00 54.04 H new ATOM 0 HE3 LYS A2095 7.688 16.925 -9.711 1.00 54.04 H new ATOM 0 HZ1 LYS A2095 9.543 18.433 -9.426 1.00 40.54 H new ATOM 0 HZ2 LYS A2095 8.149 19.300 -9.859 1.00 40.54 H new ATOM 0 HZ3 LYS A2095 8.692 19.315 -8.250 1.00 40.54 H new ATOM 1354 N ASP A2096 5.428 14.989 -3.854 1.00 32.11 N ATOM 1355 CA ASP A2096 6.002 13.801 -3.247 1.00 2.23 C ATOM 1356 C ASP A2096 4.880 12.828 -2.880 1.00 10.20 C ATOM 1357 O ASP A2096 5.015 11.620 -3.061 1.00 21.51 O ATOM 1358 CB ASP A2096 6.765 14.149 -1.967 1.00 2.43 C ATOM 1359 CG ASP A2096 7.896 15.163 -2.145 1.00 22.41 C ATOM 1360 OD1 ASP A2096 8.098 16.048 -1.301 1.00 2.24 O ATOM 1361 OD2 ASP A2096 8.597 15.014 -3.217 1.00 52.15 O ATOM 0 H ASP A2096 5.487 15.831 -3.281 1.00 32.11 H new ATOM 0 HA ASP A2096 6.689 13.354 -3.965 1.00 2.23 H new ATOM 0 HB2 ASP A2096 6.058 14.540 -1.235 1.00 2.43 H new ATOM 0 HB3 ASP A2096 7.181 13.232 -1.549 1.00 2.43 H new ATOM 1367 N LEU A2097 3.796 13.393 -2.366 1.00 24.24 N ATOM 1368 CA LEU A2097 2.651 12.591 -1.969 1.00 24.41 C ATOM 1369 C LEU A2097 2.066 11.899 -3.204 1.00 44.21 C ATOM 1370 O LEU A2097 1.730 10.719 -3.157 1.00 21.42 O ATOM 1371 CB LEU A2097 1.637 13.444 -1.206 1.00 34.11 C ATOM 1372 CG LEU A2097 1.088 12.836 0.087 1.00 61.01 C ATOM 1373 CD1 LEU A2097 -0.094 13.651 0.617 1.00 4.45 C ATOM 1374 CD2 LEU A2097 0.725 11.362 -0.111 1.00 25.11 C ATOM 0 H LEU A2097 3.687 14.396 -2.216 1.00 24.24 H new ATOM 0 HA LEU A2097 2.958 11.807 -1.277 1.00 24.41 H new ATOM 0 HB2 LEU A2097 2.103 14.399 -0.966 1.00 34.11 H new ATOM 0 HB3 LEU A2097 0.798 13.656 -1.869 1.00 34.11 H new ATOM 0 HG LEU A2097 1.872 12.876 0.843 1.00 61.01 H new ATOM 0 HD11 LEU A2097 -0.465 13.198 1.536 1.00 4.45 H new ATOM 0 HD12 LEU A2097 0.230 14.672 0.821 1.00 4.45 H new ATOM 0 HD13 LEU A2097 -0.890 13.665 -0.128 1.00 4.45 H new ATOM 0 HD21 LEU A2097 0.338 10.954 0.823 1.00 25.11 H new ATOM 0 HD22 LEU A2097 -0.035 11.276 -0.888 1.00 25.11 H new ATOM 0 HD23 LEU A2097 1.613 10.805 -0.409 1.00 25.11 H new ATOM 1386 N THR A2098 1.963 12.667 -4.280 1.00 30.01 N ATOM 1387 CA THR A2098 1.425 12.144 -5.524 1.00 3.05 C ATOM 1388 C THR A2098 2.288 10.988 -6.034 1.00 52.53 C ATOM 1389 O THR A2098 1.766 9.947 -6.430 1.00 54.42 O ATOM 1390 CB THR A2098 1.316 13.305 -6.516 1.00 22.21 C ATOM 1391 OG1 THR A2098 0.189 14.046 -6.060 1.00 12.52 O ATOM 1392 CG2 THR A2098 0.915 12.840 -7.917 1.00 20.53 C ATOM 0 H THR A2098 2.243 13.647 -4.315 1.00 30.01 H new ATOM 0 HA THR A2098 0.429 11.725 -5.380 1.00 3.05 H new ATOM 0 HB THR A2098 2.269 13.831 -6.567 1.00 22.21 H new ATOM 0 HG1 THR A2098 0.047 14.819 -6.646 1.00 12.52 H new ATOM 0 HG21 THR A2098 0.852 13.701 -8.582 1.00 20.53 H new ATOM 0 HG22 THR A2098 1.662 12.143 -8.297 1.00 20.53 H new ATOM 0 HG23 THR A2098 -0.055 12.344 -7.872 1.00 20.53 H new ATOM 1400 N GLN A2099 3.594 11.210 -6.008 1.00 15.41 N ATOM 1401 CA GLN A2099 4.534 10.199 -6.462 1.00 34.10 C ATOM 1402 C GLN A2099 4.434 8.949 -5.586 1.00 72.34 C ATOM 1403 O GLN A2099 4.427 7.829 -6.094 1.00 2.21 O ATOM 1404 CB GLN A2099 5.962 10.747 -6.475 1.00 11.53 C ATOM 1405 CG GLN A2099 6.533 10.757 -7.895 1.00 21.03 C ATOM 1406 CD GLN A2099 7.096 9.383 -8.268 1.00 62.33 C ATOM 1407 OE1 GLN A2099 7.360 8.541 -7.427 1.00 33.34 O ATOM 1408 NE2 GLN A2099 7.262 9.204 -9.577 1.00 35.20 N ATOM 0 H GLN A2099 4.023 12.075 -5.680 1.00 15.41 H new ATOM 0 HA GLN A2099 4.276 9.923 -7.484 1.00 34.10 H new ATOM 0 HB2 GLN A2099 5.971 11.758 -6.069 1.00 11.53 H new ATOM 0 HB3 GLN A2099 6.595 10.138 -5.829 1.00 11.53 H new ATOM 0 HG2 GLN A2099 5.753 11.039 -8.603 1.00 21.03 H new ATOM 0 HG3 GLN A2099 7.319 11.509 -7.970 1.00 21.03 H new ATOM 0 HE21 GLN A2099 7.021 9.951 -10.228 1.00 35.20 H new ATOM 0 HE22 GLN A2099 7.630 8.320 -9.928 1.00 35.20 H new ATOM 1417 N ALA A2100 4.357 9.182 -4.284 1.00 32.24 N ATOM 1418 CA ALA A2100 4.256 8.088 -3.333 1.00 50.32 C ATOM 1419 C ALA A2100 2.934 7.351 -3.547 1.00 33.10 C ATOM 1420 O ALA A2100 2.896 6.122 -3.538 1.00 33.13 O ATOM 1421 CB ALA A2100 4.397 8.633 -1.909 1.00 61.20 C ATOM 0 H ALA A2100 4.363 10.112 -3.865 1.00 32.24 H new ATOM 0 HA ALA A2100 5.061 7.370 -3.488 1.00 50.32 H new ATOM 0 HB1 ALA A2100 4.321 7.812 -1.196 1.00 61.20 H new ATOM 0 HB2 ALA A2100 5.366 9.120 -1.800 1.00 61.20 H new ATOM 0 HB3 ALA A2100 3.604 9.356 -1.716 1.00 61.20 H new ATOM 1427 N TRP A2101 1.881 8.134 -3.734 1.00 63.30 N ATOM 1428 CA TRP A2101 0.559 7.570 -3.950 1.00 64.13 C ATOM 1429 C TRP A2101 0.600 6.751 -5.242 1.00 32.25 C ATOM 1430 O TRP A2101 -0.124 5.765 -5.378 1.00 41.31 O ATOM 1431 CB TRP A2101 -0.507 8.667 -3.973 1.00 30.20 C ATOM 1432 CG TRP A2101 -1.525 8.569 -2.833 1.00 12.25 C ATOM 1433 CD1 TRP A2101 -1.676 9.395 -1.789 1.00 2.43 C ATOM 1434 CD2 TRP A2101 -2.532 7.549 -2.666 1.00 30.13 C ATOM 1435 NE1 TRP A2101 -2.702 8.983 -0.963 1.00 62.24 N ATOM 1436 CE2 TRP A2101 -3.240 7.826 -1.514 1.00 33.11 C ATOM 1437 CE3 TRP A2101 -2.835 6.430 -3.461 1.00 61.23 C ATOM 1438 CZ2 TRP A2101 -4.296 7.030 -1.054 1.00 0.10 C ATOM 1439 CZ3 TRP A2101 -3.892 5.646 -2.986 1.00 65.31 C ATOM 1440 CH2 TRP A2101 -4.616 5.911 -1.830 1.00 22.52 C ATOM 0 H TRP A2101 1.916 9.153 -3.740 1.00 63.30 H new ATOM 0 HA TRP A2101 0.282 6.911 -3.128 1.00 64.13 H new ATOM 0 HB2 TRP A2101 -0.015 9.639 -3.925 1.00 30.20 H new ATOM 0 HB3 TRP A2101 -1.037 8.625 -4.925 1.00 30.20 H new ATOM 0 HD1 TRP A2101 -1.071 10.273 -1.616 1.00 2.43 H new ATOM 0 HE1 TRP A2101 -3.009 9.443 -0.106 1.00 62.24 H new ATOM 0 HE3 TRP A2101 -2.295 6.194 -4.366 1.00 61.23 H new ATOM 0 HZ2 TRP A2101 -4.835 7.267 -0.148 1.00 0.10 H new ATOM 0 HZ3 TRP A2101 -4.165 4.772 -3.559 1.00 65.31 H new ATOM 0 HH2 TRP A2101 -5.422 5.256 -1.532 1.00 22.52 H new ATOM 1451 N ASP A2102 1.453 7.188 -6.155 1.00 63.41 N ATOM 1452 CA ASP A2102 1.598 6.505 -7.432 1.00 52.34 C ATOM 1453 C ASP A2102 2.221 5.128 -7.201 1.00 21.42 C ATOM 1454 O ASP A2102 1.713 4.123 -7.694 1.00 53.25 O ATOM 1455 CB ASP A2102 2.515 7.288 -8.373 1.00 40.35 C ATOM 1456 CG ASP A2102 2.031 7.378 -9.822 1.00 20.43 C ATOM 1457 OD1 ASP A2102 1.208 8.235 -10.169 1.00 53.35 O ATOM 1458 OD2 ASP A2102 2.543 6.504 -10.622 1.00 4.15 O ATOM 0 H ASP A2102 2.051 8.006 -6.038 1.00 63.41 H new ATOM 0 HA ASP A2102 0.609 6.417 -7.882 1.00 52.34 H new ATOM 0 HB2 ASP A2102 2.634 8.299 -7.982 1.00 40.35 H new ATOM 0 HB3 ASP A2102 3.501 6.824 -8.364 1.00 40.35 H new ATOM 1464 N LEU A2103 3.314 5.127 -6.452 1.00 31.14 N ATOM 1465 CA LEU A2103 4.013 3.889 -6.151 1.00 55.03 C ATOM 1466 C LEU A2103 3.028 2.887 -5.543 1.00 31.41 C ATOM 1467 O LEU A2103 2.934 1.750 -6.001 1.00 13.14 O ATOM 1468 CB LEU A2103 5.232 4.163 -5.269 1.00 14.51 C ATOM 1469 CG LEU A2103 6.304 5.074 -5.870 1.00 54.13 C ATOM 1470 CD1 LEU A2103 7.199 5.662 -4.778 1.00 40.14 C ATOM 1471 CD2 LEU A2103 7.111 4.339 -6.941 1.00 43.41 C ATOM 0 H LEU A2103 3.733 5.963 -6.045 1.00 31.14 H new ATOM 0 HA LEU A2103 4.403 3.440 -7.065 1.00 55.03 H new ATOM 0 HB2 LEU A2103 4.887 4.608 -4.335 1.00 14.51 H new ATOM 0 HB3 LEU A2103 5.694 3.209 -5.016 1.00 14.51 H new ATOM 0 HG LEU A2103 5.806 5.910 -6.361 1.00 54.13 H new ATOM 0 HD11 LEU A2103 7.952 6.306 -5.232 1.00 40.14 H new ATOM 0 HD12 LEU A2103 6.592 6.246 -4.086 1.00 40.14 H new ATOM 0 HD13 LEU A2103 7.691 4.854 -4.237 1.00 40.14 H new ATOM 0 HD21 LEU A2103 7.866 5.009 -7.352 1.00 43.41 H new ATOM 0 HD22 LEU A2103 7.599 3.471 -6.497 1.00 43.41 H new ATOM 0 HD23 LEU A2103 6.444 4.012 -7.739 1.00 43.41 H new ATOM 1483 N TYR A2104 2.317 3.347 -4.525 1.00 2.31 N ATOM 1484 CA TYR A2104 1.343 2.507 -3.849 1.00 71.54 C ATOM 1485 C TYR A2104 0.277 2.010 -4.829 1.00 73.11 C ATOM 1486 O TYR A2104 -0.068 0.828 -4.828 1.00 52.15 O ATOM 1487 CB TYR A2104 0.676 3.394 -2.796 1.00 72.32 C ATOM 1488 CG TYR A2104 1.515 3.600 -1.535 1.00 11.40 C ATOM 1489 CD1 TYR A2104 2.203 2.537 -0.983 1.00 63.42 C ATOM 1490 CD2 TYR A2104 1.586 4.847 -0.948 1.00 43.21 C ATOM 1491 CE1 TYR A2104 2.993 2.732 0.206 1.00 33.03 C ATOM 1492 CE2 TYR A2104 2.376 5.041 0.240 1.00 33.44 C ATOM 1493 CZ TYR A2104 3.040 3.973 0.759 1.00 64.52 C ATOM 1494 OH TYR A2104 3.786 4.155 1.880 1.00 42.32 O ATOM 0 H TYR A2104 2.396 4.293 -4.151 1.00 2.31 H new ATOM 0 HA TYR A2104 1.827 1.634 -3.412 1.00 71.54 H new ATOM 0 HB2 TYR A2104 0.460 4.366 -3.239 1.00 72.32 H new ATOM 0 HB3 TYR A2104 -0.280 2.952 -2.516 1.00 72.32 H new ATOM 0 HD1 TYR A2104 2.149 1.561 -1.442 1.00 63.42 H new ATOM 0 HD2 TYR A2104 1.048 5.678 -1.380 1.00 43.21 H new ATOM 0 HE1 TYR A2104 3.536 1.910 0.648 1.00 33.03 H new ATOM 0 HE2 TYR A2104 2.440 6.012 0.708 1.00 33.44 H new ATOM 0 HH TYR A2104 4.204 3.306 2.136 1.00 42.32 H new ATOM 1504 N TYR A2105 -0.213 2.934 -5.640 1.00 60.33 N ATOM 1505 CA TYR A2105 -1.232 2.604 -6.624 1.00 43.32 C ATOM 1506 C TYR A2105 -0.821 1.385 -7.451 1.00 3.33 C ATOM 1507 O TYR A2105 -1.612 0.461 -7.635 1.00 2.34 O ATOM 1508 CB TYR A2105 -1.337 3.820 -7.546 1.00 4.04 C ATOM 1509 CG TYR A2105 -2.671 3.928 -8.284 1.00 12.11 C ATOM 1510 CD1 TYR A2105 -3.530 2.848 -8.320 1.00 4.15 C ATOM 1511 CD2 TYR A2105 -3.020 5.106 -8.914 1.00 3.41 C ATOM 1512 CE1 TYR A2105 -4.787 2.948 -9.015 1.00 34.14 C ATOM 1513 CE2 TYR A2105 -4.278 5.207 -9.608 1.00 45.20 C ATOM 1514 CZ TYR A2105 -5.100 4.122 -9.624 1.00 51.44 C ATOM 1515 OH TYR A2105 -6.286 4.218 -10.282 1.00 54.51 O ATOM 0 H TYR A2105 0.076 3.912 -5.637 1.00 60.33 H new ATOM 0 HA TYR A2105 -2.177 2.368 -6.134 1.00 43.32 H new ATOM 0 HB2 TYR A2105 -1.186 4.724 -6.956 1.00 4.04 H new ATOM 0 HB3 TYR A2105 -0.531 3.778 -8.278 1.00 4.04 H new ATOM 0 HD1 TYR A2105 -3.259 1.927 -7.826 1.00 4.15 H new ATOM 0 HD2 TYR A2105 -2.349 5.952 -8.886 1.00 3.41 H new ATOM 0 HE1 TYR A2105 -5.466 2.109 -9.052 1.00 34.14 H new ATOM 0 HE2 TYR A2105 -4.563 6.123 -10.105 1.00 45.20 H new ATOM 0 HH TYR A2105 -6.375 5.115 -10.667 1.00 54.51 H new ATOM 1525 N HIS A2106 0.413 1.423 -7.929 1.00 3.24 N ATOM 1526 CA HIS A2106 0.939 0.332 -8.733 1.00 14.05 C ATOM 1527 C HIS A2106 0.940 -0.958 -7.910 1.00 12.50 C ATOM 1528 O HIS A2106 0.532 -2.010 -8.397 1.00 45.31 O ATOM 1529 CB HIS A2106 2.321 0.683 -9.287 1.00 62.51 C ATOM 1530 CG HIS A2106 2.408 0.639 -10.794 1.00 72.32 C ATOM 1531 ND1 HIS A2106 2.830 1.717 -11.553 1.00 34.42 N ATOM 1532 CD2 HIS A2106 2.122 -0.363 -11.674 1.00 23.20 C ATOM 1533 CE1 HIS A2106 2.795 1.368 -12.830 1.00 41.24 C ATOM 1534 NE2 HIS A2106 2.356 0.080 -12.904 1.00 21.23 N ATOM 0 H HIS A2106 1.065 2.192 -7.775 1.00 3.24 H new ATOM 0 HA HIS A2106 0.296 0.170 -9.598 1.00 14.05 H new ATOM 0 HB2 HIS A2106 2.595 1.682 -8.947 1.00 62.51 H new ATOM 0 HB3 HIS A2106 3.054 -0.008 -8.871 1.00 62.51 H new ATOM 0 HD2 HIS A2106 1.766 -1.349 -11.415 1.00 23.20 H new ATOM 0 HE1 HIS A2106 3.067 1.995 -13.667 1.00 41.24 H new ATOM 0 HE2 HIS A2106 2.228 -0.456 -13.763 1.00 21.23 H new ATOM 1543 N VAL A2107 1.403 -0.833 -6.674 1.00 23.34 N ATOM 1544 CA VAL A2107 1.463 -1.976 -5.779 1.00 62.52 C ATOM 1545 C VAL A2107 0.064 -2.578 -5.635 1.00 31.52 C ATOM 1546 O VAL A2107 -0.134 -3.766 -5.890 1.00 43.10 O ATOM 1547 CB VAL A2107 2.074 -1.560 -4.440 1.00 41.21 C ATOM 1548 CG1 VAL A2107 1.556 -2.442 -3.302 1.00 21.40 C ATOM 1549 CG2 VAL A2107 3.602 -1.588 -4.502 1.00 41.22 C ATOM 0 H VAL A2107 1.740 0.042 -6.272 1.00 23.34 H new ATOM 0 HA VAL A2107 2.111 -2.750 -6.191 1.00 62.52 H new ATOM 0 HB VAL A2107 1.765 -0.535 -4.236 1.00 41.21 H new ATOM 0 HG11 VAL A2107 2.006 -2.124 -2.362 1.00 21.40 H new ATOM 0 HG12 VAL A2107 0.472 -2.350 -3.235 1.00 21.40 H new ATOM 0 HG13 VAL A2107 1.820 -3.481 -3.498 1.00 21.40 H new ATOM 0 HG21 VAL A2107 4.011 -1.288 -3.537 1.00 41.22 H new ATOM 0 HG22 VAL A2107 3.938 -2.597 -4.741 1.00 41.22 H new ATOM 0 HG23 VAL A2107 3.948 -0.899 -5.273 1.00 41.22 H new ATOM 1559 N PHE A2108 -0.873 -1.734 -5.227 1.00 43.54 N ATOM 1560 CA PHE A2108 -2.246 -2.170 -5.046 1.00 74.31 C ATOM 1561 C PHE A2108 -2.875 -2.568 -6.383 1.00 62.14 C ATOM 1562 O PHE A2108 -3.782 -3.396 -6.423 1.00 35.24 O ATOM 1563 CB PHE A2108 -3.018 -0.981 -4.467 1.00 14.24 C ATOM 1564 CG PHE A2108 -2.766 -0.744 -2.976 1.00 71.52 C ATOM 1565 CD1 PHE A2108 -1.503 -0.508 -2.530 1.00 43.42 C ATOM 1566 CD2 PHE A2108 -3.803 -0.768 -2.098 1.00 73.23 C ATOM 1567 CE1 PHE A2108 -1.268 -0.287 -1.147 1.00 54.21 C ATOM 1568 CE2 PHE A2108 -3.569 -0.546 -0.715 1.00 60.32 C ATOM 1569 CZ PHE A2108 -2.307 -0.311 -0.269 1.00 71.43 C ATOM 0 H PHE A2108 -0.707 -0.750 -5.017 1.00 43.54 H new ATOM 0 HA PHE A2108 -2.278 -3.038 -4.387 1.00 74.31 H new ATOM 0 HB2 PHE A2108 -2.747 -0.081 -5.019 1.00 14.24 H new ATOM 0 HB3 PHE A2108 -4.085 -1.142 -4.624 1.00 14.24 H new ATOM 0 HD1 PHE A2108 -0.679 -0.489 -3.228 1.00 43.42 H new ATOM 0 HD2 PHE A2108 -4.806 -0.956 -2.452 1.00 73.23 H new ATOM 0 HE1 PHE A2108 -0.265 -0.100 -0.792 1.00 54.21 H new ATOM 0 HE2 PHE A2108 -4.394 -0.564 -0.018 1.00 60.32 H new ATOM 0 HZ PHE A2108 -2.129 -0.143 0.783 1.00 71.43 H new ATOM 1579 N ARG A2109 -2.368 -1.958 -7.444 1.00 51.13 N ATOM 1580 CA ARG A2109 -2.869 -2.239 -8.779 1.00 43.22 C ATOM 1581 C ARG A2109 -2.380 -3.610 -9.252 1.00 2.30 C ATOM 1582 O ARG A2109 -3.008 -4.235 -10.104 1.00 74.40 O ATOM 1583 CB ARG A2109 -2.412 -1.171 -9.775 1.00 4.53 C ATOM 1584 CG ARG A2109 -3.452 -0.057 -9.901 1.00 51.12 C ATOM 1585 CD ARG A2109 -3.854 0.157 -11.362 1.00 22.43 C ATOM 1586 NE ARG A2109 -5.236 -0.325 -11.584 1.00 41.33 N ATOM 1587 CZ ARG A2109 -6.015 0.060 -12.617 1.00 50.44 C ATOM 1588 NH1 ARG A2109 -5.553 0.938 -13.533 1.00 64.23 N ATOM 1589 NH2 ARG A2109 -7.235 -0.432 -12.717 1.00 4.14 N ATOM 0 H ARG A2109 -1.616 -1.270 -7.407 1.00 51.13 H new ATOM 0 HA ARG A2109 -3.958 -2.234 -8.732 1.00 43.22 H new ATOM 0 HB2 ARG A2109 -1.460 -0.750 -9.451 1.00 4.53 H new ATOM 0 HB3 ARG A2109 -2.243 -1.627 -10.750 1.00 4.53 H new ATOM 0 HG2 ARG A2109 -4.333 -0.309 -9.311 1.00 51.12 H new ATOM 0 HG3 ARG A2109 -3.049 0.869 -9.492 1.00 51.12 H new ATOM 0 HD2 ARG A2109 -3.784 1.215 -11.616 1.00 22.43 H new ATOM 0 HD3 ARG A2109 -3.165 -0.374 -12.019 1.00 22.43 H new ATOM 0 HE ARG A2109 -5.624 -0.990 -10.914 1.00 41.33 H new ATOM 0 HH11 ARG A2109 -4.609 1.315 -13.447 1.00 64.23 H new ATOM 0 HH12 ARG A2109 -6.148 1.224 -14.311 1.00 64.23 H new ATOM 0 HH21 ARG A2109 -7.577 -1.093 -12.020 1.00 4.14 H new ATOM 0 HH22 ARG A2109 -7.836 -0.151 -13.492 1.00 4.14 H new ATOM 1601 N ARG A2110 -1.265 -4.035 -8.677 1.00 63.34 N ATOM 1602 CA ARG A2110 -0.686 -5.320 -9.030 1.00 3.22 C ATOM 1603 C ARG A2110 -1.446 -6.454 -8.337 1.00 4.04 C ATOM 1604 O ARG A2110 -1.849 -7.419 -8.982 1.00 24.21 O ATOM 1605 CB ARG A2110 0.790 -5.388 -8.629 1.00 55.13 C ATOM 1606 CG ARG A2110 1.694 -5.004 -9.802 1.00 24.31 C ATOM 1607 CD ARG A2110 1.820 -6.159 -10.799 1.00 75.02 C ATOM 1608 NE ARG A2110 2.113 -5.632 -12.149 1.00 44.24 N ATOM 1609 CZ ARG A2110 2.478 -6.399 -13.198 1.00 73.20 C ATOM 1610 NH1 ARG A2110 2.596 -7.738 -13.060 1.00 44.44 N ATOM 1611 NH2 ARG A2110 2.716 -5.823 -14.362 1.00 15.41 N ATOM 0 H ARG A2110 -0.747 -3.513 -7.970 1.00 63.34 H new ATOM 0 HA ARG A2110 -0.764 -5.432 -10.111 1.00 3.22 H new ATOM 0 HB2 ARG A2110 0.974 -4.718 -7.789 1.00 55.13 H new ATOM 0 HB3 ARG A2110 1.033 -6.396 -8.292 1.00 55.13 H new ATOM 0 HG2 ARG A2110 1.289 -4.127 -10.306 1.00 24.31 H new ATOM 0 HG3 ARG A2110 2.681 -4.730 -9.430 1.00 24.31 H new ATOM 0 HD2 ARG A2110 2.613 -6.837 -10.484 1.00 75.02 H new ATOM 0 HD3 ARG A2110 0.896 -6.737 -10.818 1.00 75.02 H new ATOM 0 HE ARG A2110 2.034 -4.626 -12.297 1.00 44.24 H new ATOM 0 HH11 ARG A2110 2.409 -8.176 -12.158 1.00 44.44 H new ATOM 0 HH12 ARG A2110 2.872 -8.311 -13.858 1.00 44.44 H new ATOM 0 HH21 ARG A2110 2.623 -4.812 -14.459 1.00 15.41 H new ATOM 0 HH22 ARG A2110 2.993 -6.389 -15.164 1.00 15.41 H new ATOM 1623 N ILE A2111 -1.620 -6.296 -7.033 1.00 73.30 N ATOM 1624 CA ILE A2111 -2.326 -7.294 -6.246 1.00 64.23 C ATOM 1625 C ILE A2111 -3.752 -7.444 -6.781 1.00 42.34 C ATOM 1626 O ILE A2111 -4.363 -8.500 -6.638 1.00 71.40 O ATOM 1627 CB ILE A2111 -2.260 -6.947 -4.758 1.00 12.52 C ATOM 1628 CG1 ILE A2111 -2.235 -5.431 -4.549 1.00 10.03 C ATOM 1629 CG2 ILE A2111 -1.073 -7.638 -4.086 1.00 0.21 C ATOM 1630 CD1 ILE A2111 -2.934 -5.046 -3.243 1.00 23.54 C ATOM 0 H ILE A2111 -1.285 -5.493 -6.502 1.00 73.30 H new ATOM 0 HA ILE A2111 -1.845 -8.267 -6.344 1.00 64.23 H new ATOM 0 HB ILE A2111 -3.164 -7.323 -4.279 1.00 12.52 H new ATOM 0 HG12 ILE A2111 -1.203 -5.080 -4.531 1.00 10.03 H new ATOM 0 HG13 ILE A2111 -2.725 -4.937 -5.388 1.00 10.03 H new ATOM 0 HG21 ILE A2111 -1.049 -7.374 -3.029 1.00 0.21 H new ATOM 0 HG22 ILE A2111 -1.175 -8.718 -4.188 1.00 0.21 H new ATOM 0 HG23 ILE A2111 -0.147 -7.315 -4.561 1.00 0.21 H new ATOM 0 HD11 ILE A2111 -2.902 -3.964 -3.119 1.00 23.54 H new ATOM 0 HD12 ILE A2111 -3.972 -5.377 -3.275 1.00 23.54 H new ATOM 0 HD13 ILE A2111 -2.426 -5.523 -2.404 1.00 23.54 H new ATOM 1642 N SER A2112 -4.238 -6.368 -7.384 1.00 72.31 N ATOM 1643 CA SER A2112 -5.581 -6.368 -7.940 1.00 32.41 C ATOM 1644 C SER A2112 -5.575 -7.017 -9.326 1.00 11.24 C ATOM 1645 O SER A2112 -6.362 -7.924 -9.592 1.00 65.42 O ATOM 1646 CB SER A2112 -6.142 -4.946 -8.024 1.00 3.41 C ATOM 1647 OG SER A2112 -7.347 -4.892 -8.782 1.00 54.32 O ATOM 0 H SER A2112 -3.727 -5.493 -7.499 1.00 72.31 H new ATOM 0 HA SER A2112 -6.225 -6.947 -7.277 1.00 32.41 H new ATOM 0 HB2 SER A2112 -6.329 -4.570 -7.018 1.00 3.41 H new ATOM 0 HB3 SER A2112 -5.399 -4.289 -8.477 1.00 3.41 H new ATOM 0 HG SER A2112 -7.674 -3.969 -8.811 1.00 54.32 H new ATOM 1653 N LYS A2113 -4.678 -6.529 -10.169 1.00 44.13 N ATOM 1654 CA LYS A2113 -4.557 -7.053 -11.519 1.00 74.14 C ATOM 1655 C LYS A2113 -4.639 -8.578 -11.480 1.00 62.31 C ATOM 1656 O LYS A2113 -4.032 -9.215 -10.620 1.00 62.22 O ATOM 1657 CB LYS A2113 -3.288 -6.521 -12.188 1.00 22.42 C ATOM 1658 CG LYS A2113 -3.622 -5.444 -13.222 1.00 44.03 C ATOM 1659 CD LYS A2113 -3.433 -5.972 -14.646 1.00 44.34 C ATOM 1660 CE LYS A2113 -4.707 -5.791 -15.473 1.00 5.12 C ATOM 1661 NZ LYS A2113 -4.402 -5.129 -16.760 1.00 72.24 N ATOM 0 H LYS A2113 -4.028 -5.776 -9.944 1.00 44.13 H new ATOM 0 HA LYS A2113 -5.385 -6.706 -12.137 1.00 74.14 H new ATOM 0 HB2 LYS A2113 -2.620 -6.109 -11.432 1.00 22.42 H new ATOM 0 HB3 LYS A2113 -2.756 -7.341 -12.671 1.00 22.42 H new ATOM 0 HG2 LYS A2113 -4.652 -5.112 -13.087 1.00 44.03 H new ATOM 0 HG3 LYS A2113 -2.984 -4.574 -13.065 1.00 44.03 H new ATOM 0 HD2 LYS A2113 -2.607 -5.447 -15.125 1.00 44.34 H new ATOM 0 HD3 LYS A2113 -3.164 -7.028 -14.613 1.00 44.34 H new ATOM 0 HE2 LYS A2113 -5.168 -6.761 -15.657 1.00 5.12 H new ATOM 0 HE3 LYS A2113 -5.429 -5.196 -14.914 1.00 5.12 H new ATOM 0 HZ1 LYS A2113 -5.279 -5.015 -17.308 1.00 72.24 H new ATOM 0 HZ2 LYS A2113 -3.982 -4.195 -16.579 1.00 72.24 H new ATOM 0 HZ3 LYS A2113 -3.730 -5.712 -17.299 1.00 72.24 H new ATOM 1674 N GLN A2114 -5.395 -9.124 -12.423 1.00 31.22 N ATOM 1675 CA GLN A2114 -5.565 -10.564 -12.508 1.00 14.24 C ATOM 1676 C GLN A2114 -4.212 -11.267 -12.373 1.00 12.21 C ATOM 1677 O GLN A2114 -3.348 -11.127 -13.238 1.00 72.31 O ATOM 1678 CB GLN A2114 -6.262 -10.959 -13.810 1.00 44.40 C ATOM 1679 CG GLN A2114 -7.704 -11.398 -13.551 1.00 2.23 C ATOM 1680 CD GLN A2114 -8.099 -12.558 -14.469 1.00 41.12 C ATOM 1681 OE1 GLN A2114 -7.283 -13.370 -14.869 1.00 63.21 O ATOM 1682 NE2 GLN A2114 -9.391 -12.585 -14.778 1.00 30.13 N ATOM 0 H GLN A2114 -5.897 -8.593 -13.135 1.00 31.22 H new ATOM 0 HA GLN A2114 -6.202 -10.884 -11.684 1.00 14.24 H new ATOM 0 HB2 GLN A2114 -6.254 -10.116 -14.501 1.00 44.40 H new ATOM 0 HB3 GLN A2114 -5.712 -11.769 -14.289 1.00 44.40 H new ATOM 0 HG2 GLN A2114 -7.814 -11.700 -12.510 1.00 2.23 H new ATOM 0 HG3 GLN A2114 -8.378 -10.557 -13.712 1.00 2.23 H new ATOM 0 HE21 GLN A2114 -10.019 -11.872 -14.407 1.00 30.13 H new ATOM 0 HE22 GLN A2114 -9.755 -13.319 -15.386 1.00 30.13 H new TER 1691 GLN A2114