USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2085 CYS SG : rot 49:sc= -0.239 USER MOD Set 1.2: A2104 TYR OH : rot 171:sc= 0.9 USER MOD Set 2.1: A2026 MET CE :methyl -127:sc= -8.89! (180deg=-4.12!) USER MOD Set 2.2: A2057 MET CE :methyl 157:sc= -4.26 (180deg=-0.256) USER MOD Set 2.3: A2058 MET CE :methyl 149:sc= -13.2! (180deg=-5.97!) USER MOD Single : A2014 MET CE :methyl -152:sc= -0.16 (180deg=-0.626) USER MOD Single : A2024 HIS : no HD1:sc= -9.3! C(o=-9.3!,f=-14!) USER MOD Single : A2028 HIS : no HE2:sc= -2.69 X(o=-2.7,f=-2.5) USER MOD Single : A2035 SER OG : rot -62:sc= 0.982 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -1.85! C(o=-1.9!,f=-4.6!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -157:sc= -4.7! (180deg=-6.9!) USER MOD Single : A2055 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-1.7) USER MOD Single : A2063 GLN : amide:sc= -0.0171 X(o=-0.017,f=0.02) USER MOD Single : A2064 THR OG1 : rot 180:sc= 0 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 86:sc= 0.353 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1.5) USER MOD Single : A2072 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.071) USER MOD Single : A2074 TYR OH : rot 180:sc=-0.00112 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc=-0.00629 USER MOD Single : A2089 MET CE :methyl -119:sc= -2.68 (180deg=-8.83!) 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=-0.00914 X(o=-0.0091,f=-0.04) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 78:sc= 0.00122 USER MOD Single : A2099 GLN : amide:sc=-0.00308 X(o=-0.0031,f=0) USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2112 SER OG : rot 180:sc= 0 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -16.353 -4.681 2.723 1.00 32.53 N ATOM 2 CA MET A2014 -16.193 -5.070 1.333 1.00 42.22 C ATOM 3 C MET A2014 -15.325 -6.322 1.211 1.00 24.45 C ATOM 4 O MET A2014 -14.105 -6.230 1.087 1.00 33.42 O ATOM 5 CB MET A2014 -15.545 -3.923 0.553 1.00 20.54 C ATOM 6 CG MET A2014 -16.585 -2.873 0.158 1.00 73.13 C ATOM 7 SD MET A2014 -16.838 -1.726 1.504 1.00 62.52 S ATOM 8 CE MET A2014 -17.035 -0.209 0.585 1.00 1.34 C ATOM 0 HA MET A2014 -17.178 -5.291 0.922 1.00 42.22 H new ATOM 0 HB2 MET A2014 -14.767 -3.459 1.160 1.00 20.54 H new ATOM 0 HB3 MET A2014 -15.060 -4.315 -0.341 1.00 20.54 H new ATOM 0 HG2 MET A2014 -16.252 -2.336 -0.730 1.00 73.13 H new ATOM 0 HG3 MET A2014 -17.526 -3.360 -0.098 1.00 73.13 H new ATOM 0 HE1 MET A2014 -16.712 0.632 1.198 1.00 1.34 H new ATOM 0 HE2 MET A2014 -16.430 -0.251 -0.321 1.00 1.34 H new ATOM 0 HE3 MET A2014 -18.083 -0.080 0.315 1.00 1.34 H new ATOM 18 N GLU A2015 -15.989 -7.470 1.250 1.00 61.31 N ATOM 19 CA GLU A2015 -15.294 -8.741 1.145 1.00 13.45 C ATOM 20 C GLU A2015 -15.787 -9.517 -0.078 1.00 43.23 C ATOM 21 O GLU A2015 -15.274 -10.593 -0.384 1.00 35.00 O ATOM 22 CB GLU A2015 -15.465 -9.567 2.423 1.00 44.14 C ATOM 23 CG GLU A2015 -14.902 -8.822 3.636 1.00 61.22 C ATOM 24 CD GLU A2015 -15.969 -8.650 4.716 1.00 55.14 C ATOM 25 OE1 GLU A2015 -16.194 -9.569 5.518 1.00 20.24 O ATOM 26 OE2 GLU A2015 -16.578 -7.511 4.707 1.00 12.41 O ATOM 0 H GLU A2015 -17.001 -7.545 1.353 1.00 61.31 H new ATOM 0 HA GLU A2015 -14.230 -8.541 1.020 1.00 13.45 H new ATOM 0 HB2 GLU A2015 -16.521 -9.783 2.582 1.00 44.14 H new ATOM 0 HB3 GLU A2015 -14.957 -10.525 2.312 1.00 44.14 H new ATOM 0 HG2 GLU A2015 -14.053 -9.371 4.043 1.00 61.22 H new ATOM 0 HG3 GLU A2015 -14.531 -7.845 3.327 1.00 61.22 H new ATOM 34 N LEU A2016 -16.776 -8.940 -0.745 1.00 21.11 N ATOM 35 CA LEU A2016 -17.343 -9.564 -1.929 1.00 75.04 C ATOM 36 C LEU A2016 -16.260 -9.701 -2.999 1.00 50.52 C ATOM 37 O LEU A2016 -15.451 -8.793 -3.188 1.00 35.41 O ATOM 38 CB LEU A2016 -18.579 -8.794 -2.400 1.00 42.42 C ATOM 39 CG LEU A2016 -19.911 -9.540 -2.310 1.00 11.00 C ATOM 40 CD1 LEU A2016 -19.940 -10.728 -3.275 1.00 41.14 C ATOM 41 CD2 LEU A2016 -20.204 -9.966 -0.871 1.00 23.33 C ATOM 0 H LEU A2016 -17.199 -8.048 -0.488 1.00 21.11 H new ATOM 0 HA LEU A2016 -17.691 -10.571 -1.698 1.00 75.04 H new ATOM 0 HB2 LEU A2016 -18.658 -7.879 -1.813 1.00 42.42 H new ATOM 0 HB3 LEU A2016 -18.423 -8.495 -3.436 1.00 42.42 H new ATOM 0 HG LEU A2016 -20.705 -8.858 -2.613 1.00 11.00 H new ATOM 0 HD11 LEU A2016 -20.898 -11.241 -3.191 1.00 41.14 H new ATOM 0 HD12 LEU A2016 -19.808 -10.371 -4.296 1.00 41.14 H new ATOM 0 HD13 LEU A2016 -19.135 -11.419 -3.026 1.00 41.14 H new ATOM 0 HD21 LEU A2016 -21.157 -10.494 -0.835 1.00 23.33 H new ATOM 0 HD22 LEU A2016 -19.410 -10.624 -0.518 1.00 23.33 H new ATOM 0 HD23 LEU A2016 -20.254 -9.083 -0.233 1.00 23.33 H new ATOM 53 N ILE A2017 -16.274 -10.843 -3.670 1.00 33.04 N ATOM 54 CA ILE A2017 -15.302 -11.109 -4.715 1.00 43.41 C ATOM 55 C ILE A2017 -13.907 -11.207 -4.096 1.00 13.15 C ATOM 56 O ILE A2017 -13.436 -12.301 -3.789 1.00 44.53 O ATOM 57 CB ILE A2017 -15.410 -10.063 -5.827 1.00 13.24 C ATOM 58 CG1 ILE A2017 -16.531 -10.416 -6.806 1.00 74.22 C ATOM 59 CG2 ILE A2017 -14.066 -9.878 -6.537 1.00 61.44 C ATOM 60 CD1 ILE A2017 -17.538 -9.269 -6.921 1.00 63.42 C ATOM 0 H ILE A2017 -16.944 -11.595 -3.510 1.00 33.04 H new ATOM 0 HA ILE A2017 -15.508 -12.068 -5.191 1.00 43.41 H new ATOM 0 HB ILE A2017 -15.670 -9.107 -5.373 1.00 13.24 H new ATOM 0 HG12 ILE A2017 -16.108 -10.633 -7.787 1.00 74.22 H new ATOM 0 HG13 ILE A2017 -17.040 -11.320 -6.471 1.00 74.22 H new ATOM 0 HG21 ILE A2017 -14.170 -9.130 -7.323 1.00 61.44 H new ATOM 0 HG22 ILE A2017 -13.317 -9.547 -5.818 1.00 61.44 H new ATOM 0 HG23 ILE A2017 -13.754 -10.825 -6.977 1.00 61.44 H new ATOM 0 HD11 ILE A2017 -18.325 -9.545 -7.623 1.00 63.42 H new ATOM 0 HD12 ILE A2017 -17.977 -9.071 -5.943 1.00 63.42 H new ATOM 0 HD13 ILE A2017 -17.030 -8.373 -7.279 1.00 63.42 H new ATOM 72 N ARG A2018 -13.286 -10.048 -3.929 1.00 24.12 N ATOM 73 CA ARG A2018 -11.954 -9.990 -3.351 1.00 51.33 C ATOM 74 C ARG A2018 -11.884 -10.853 -2.089 1.00 60.43 C ATOM 75 O ARG A2018 -12.379 -10.456 -1.035 1.00 33.33 O ATOM 76 CB ARG A2018 -11.569 -8.551 -3.000 1.00 10.25 C ATOM 77 CG ARG A2018 -10.266 -8.513 -2.198 1.00 12.31 C ATOM 78 CD ARG A2018 -9.087 -9.002 -3.044 1.00 73.20 C ATOM 79 NE ARG A2018 -8.505 -7.871 -3.801 1.00 20.42 N ATOM 80 CZ ARG A2018 -8.912 -7.494 -5.031 1.00 62.43 C ATOM 81 NH1 ARG A2018 -9.909 -8.155 -5.655 1.00 73.41 N ATOM 82 NH2 ARG A2018 -8.320 -6.469 -5.615 1.00 73.51 N ATOM 0 H ARG A2018 -13.681 -9.143 -4.184 1.00 24.12 H new ATOM 0 HA ARG A2018 -11.253 -10.371 -4.094 1.00 51.33 H new ATOM 0 HB2 ARG A2018 -11.455 -7.968 -3.914 1.00 10.25 H new ATOM 0 HB3 ARG A2018 -12.369 -8.087 -2.423 1.00 10.25 H new ATOM 0 HG2 ARG A2018 -10.075 -7.496 -1.855 1.00 12.31 H new ATOM 0 HG3 ARG A2018 -10.364 -9.136 -1.309 1.00 12.31 H new ATOM 0 HD2 ARG A2018 -8.328 -9.449 -2.402 1.00 73.20 H new ATOM 0 HD3 ARG A2018 -9.420 -9.779 -3.733 1.00 73.20 H new ATOM 0 HE ARG A2018 -7.749 -7.343 -3.365 1.00 20.42 H new ATOM 0 HH11 ARG A2018 -10.361 -8.946 -5.197 1.00 73.41 H new ATOM 0 HH12 ARG A2018 -10.211 -7.863 -6.585 1.00 73.41 H new ATOM 0 HH21 ARG A2018 -7.567 -5.975 -5.137 1.00 73.51 H new ATOM 0 HH22 ARG A2018 -8.616 -6.171 -6.545 1.00 73.51 H new ATOM 94 N VAL A2019 -11.268 -12.015 -2.239 1.00 24.41 N ATOM 95 CA VAL A2019 -11.127 -12.937 -1.124 1.00 50.30 C ATOM 96 C VAL A2019 -10.792 -12.149 0.144 1.00 32.20 C ATOM 97 O VAL A2019 -9.864 -11.343 0.151 1.00 3.51 O ATOM 98 CB VAL A2019 -10.085 -14.006 -1.456 1.00 5.32 C ATOM 99 CG1 VAL A2019 -8.806 -13.372 -2.007 1.00 50.45 C ATOM 100 CG2 VAL A2019 -9.783 -14.877 -0.235 1.00 74.05 C ATOM 0 H VAL A2019 -10.860 -12.340 -3.116 1.00 24.41 H new ATOM 0 HA VAL A2019 -12.065 -13.463 -0.943 1.00 50.30 H new ATOM 0 HB VAL A2019 -10.501 -14.650 -2.231 1.00 5.32 H new ATOM 0 HG11 VAL A2019 -8.081 -14.154 -2.235 1.00 50.45 H new ATOM 0 HG12 VAL A2019 -9.038 -12.816 -2.915 1.00 50.45 H new ATOM 0 HG13 VAL A2019 -8.386 -12.694 -1.264 1.00 50.45 H new ATOM 0 HG21 VAL A2019 -9.039 -15.629 -0.499 1.00 74.05 H new ATOM 0 HG22 VAL A2019 -9.398 -14.253 0.571 1.00 74.05 H new ATOM 0 HG23 VAL A2019 -10.697 -15.371 0.094 1.00 74.05 H new ATOM 110 N PRO A2020 -11.587 -12.416 1.214 1.00 24.44 N ATOM 111 CA PRO A2020 -11.384 -11.744 2.486 1.00 74.23 C ATOM 112 C PRO A2020 -10.159 -12.301 3.213 1.00 43.43 C ATOM 113 O PRO A2020 -9.426 -11.555 3.862 1.00 3.03 O ATOM 114 CB PRO A2020 -12.679 -11.955 3.254 1.00 34.10 C ATOM 115 CG PRO A2020 -13.377 -13.125 2.580 1.00 72.00 C ATOM 116 CD PRO A2020 -12.696 -13.366 1.243 1.00 23.21 C ATOM 0 HA PRO A2020 -11.174 -10.681 2.370 1.00 74.23 H new ATOM 0 HB2 PRO A2020 -12.480 -12.171 4.304 1.00 34.10 H new ATOM 0 HB3 PRO A2020 -13.301 -11.060 3.225 1.00 34.10 H new ATOM 0 HG2 PRO A2020 -13.318 -14.016 3.205 1.00 72.00 H new ATOM 0 HG3 PRO A2020 -14.435 -12.907 2.436 1.00 72.00 H new ATOM 0 HD2 PRO A2020 -12.340 -14.393 1.160 1.00 23.21 H new ATOM 0 HD3 PRO A2020 -13.383 -13.198 0.413 1.00 23.21 H new ATOM 124 N ILE A2021 -9.976 -13.606 3.080 1.00 43.44 N ATOM 125 CA ILE A2021 -8.852 -14.271 3.715 1.00 2.21 C ATOM 126 C ILE A2021 -7.633 -14.201 2.794 1.00 42.13 C ATOM 127 O ILE A2021 -7.322 -15.162 2.094 1.00 64.30 O ATOM 128 CB ILE A2021 -9.231 -15.698 4.120 1.00 32.41 C ATOM 129 CG1 ILE A2021 -10.671 -15.754 4.638 1.00 35.33 C ATOM 130 CG2 ILE A2021 -8.236 -16.264 5.134 1.00 4.05 C ATOM 131 CD1 ILE A2021 -10.858 -14.830 5.844 1.00 23.53 C ATOM 0 H ILE A2021 -10.587 -14.220 2.542 1.00 43.44 H new ATOM 0 HA ILE A2021 -8.584 -13.760 4.640 1.00 2.21 H new ATOM 0 HB ILE A2021 -9.180 -16.330 3.233 1.00 32.41 H new ATOM 0 HG12 ILE A2021 -11.358 -15.464 3.843 1.00 35.33 H new ATOM 0 HG13 ILE A2021 -10.921 -16.777 4.918 1.00 35.33 H new ATOM 0 HG21 ILE A2021 -8.529 -17.278 5.404 1.00 4.05 H new ATOM 0 HG22 ILE A2021 -7.238 -16.279 4.695 1.00 4.05 H new ATOM 0 HG23 ILE A2021 -8.230 -15.638 6.026 1.00 4.05 H new ATOM 0 HD11 ILE A2021 -11.889 -14.889 6.191 1.00 23.53 H new ATOM 0 HD12 ILE A2021 -10.187 -15.138 6.646 1.00 23.53 H new ATOM 0 HD13 ILE A2021 -10.631 -13.804 5.555 1.00 23.53 H new ATOM 143 N LEU A2022 -6.976 -13.050 2.822 1.00 51.41 N ATOM 144 CA LEU A2022 -5.798 -12.840 1.997 1.00 15.31 C ATOM 145 C LEU A2022 -5.267 -11.423 2.226 1.00 31.14 C ATOM 146 O LEU A2022 -6.039 -10.501 2.482 1.00 53.34 O ATOM 147 CB LEU A2022 -6.107 -13.151 0.532 1.00 21.53 C ATOM 148 CG LEU A2022 -5.150 -14.121 -0.164 1.00 73.32 C ATOM 149 CD1 LEU A2022 -5.599 -14.398 -1.599 1.00 62.11 C ATOM 150 CD2 LEU A2022 -3.710 -13.607 -0.103 1.00 4.41 C ATOM 0 H LEU A2022 -7.237 -12.253 3.403 1.00 51.41 H new ATOM 0 HA LEU A2022 -5.004 -13.529 2.284 1.00 15.31 H new ATOM 0 HB2 LEU A2022 -7.115 -13.561 0.473 1.00 21.53 H new ATOM 0 HB3 LEU A2022 -6.111 -12.214 -0.025 1.00 21.53 H new ATOM 0 HG LEU A2022 -5.176 -15.071 0.370 1.00 73.32 H new ATOM 0 HD11 LEU A2022 -4.902 -15.090 -2.071 1.00 62.11 H new ATOM 0 HD12 LEU A2022 -6.596 -14.838 -1.590 1.00 62.11 H new ATOM 0 HD13 LEU A2022 -5.619 -13.464 -2.161 1.00 62.11 H new ATOM 0 HD21 LEU A2022 -3.050 -14.314 -0.605 1.00 4.41 H new ATOM 0 HD22 LEU A2022 -3.648 -12.638 -0.599 1.00 4.41 H new ATOM 0 HD23 LEU A2022 -3.405 -13.502 0.938 1.00 4.41 H new ATOM 162 N TRP A2023 -3.951 -11.295 2.126 1.00 31.32 N ATOM 163 CA TRP A2023 -3.308 -10.007 2.318 1.00 13.24 C ATOM 164 C TRP A2023 -3.979 -8.998 1.382 1.00 30.23 C ATOM 165 O TRP A2023 -4.287 -7.880 1.787 1.00 3.22 O ATOM 166 CB TRP A2023 -1.798 -10.111 2.103 1.00 50.34 C ATOM 167 CG TRP A2023 -0.992 -10.247 3.396 1.00 22.51 C ATOM 168 CD1 TRP A2023 -1.411 -10.698 4.585 1.00 21.42 C ATOM 169 CD2 TRP A2023 0.400 -9.910 3.581 1.00 71.20 C ATOM 170 NE1 TRP A2023 -0.397 -10.675 5.521 1.00 22.44 N ATOM 171 CE2 TRP A2023 0.739 -10.181 4.892 1.00 52.50 C ATOM 172 CE3 TRP A2023 1.339 -9.391 2.674 1.00 41.25 C ATOM 173 CZ2 TRP A2023 2.022 -9.967 5.412 1.00 33.50 C ATOM 174 CZ3 TRP A2023 2.616 -9.184 3.210 1.00 62.12 C ATOM 175 CH2 TRP A2023 2.973 -9.451 4.525 1.00 25.42 C ATOM 0 H TRP A2023 -3.314 -12.063 1.914 1.00 31.32 H new ATOM 0 HA TRP A2023 -3.432 -9.663 3.345 1.00 13.24 H new ATOM 0 HB2 TRP A2023 -1.591 -10.971 1.466 1.00 50.34 H new ATOM 0 HB3 TRP A2023 -1.456 -9.226 1.566 1.00 50.34 H new ATOM 0 HD1 TRP A2023 -2.416 -11.037 4.786 1.00 21.42 H new ATOM 0 HE1 TRP A2023 -0.469 -10.967 6.496 1.00 22.44 H new ATOM 0 HE3 TRP A2023 1.095 -9.169 1.645 1.00 41.25 H new ATOM 0 HZ2 TRP A2023 2.264 -10.188 6.441 1.00 33.50 H new ATOM 0 HZ3 TRP A2023 3.377 -8.789 2.554 1.00 62.12 H new ATOM 0 HH2 TRP A2023 3.981 -9.261 4.862 1.00 25.42 H new ATOM 186 N HIS A2024 -4.184 -9.433 0.147 1.00 53.35 N ATOM 187 CA HIS A2024 -4.811 -8.583 -0.850 1.00 63.52 C ATOM 188 C HIS A2024 -6.073 -7.949 -0.263 1.00 22.34 C ATOM 189 O HIS A2024 -6.519 -6.901 -0.726 1.00 41.11 O ATOM 190 CB HIS A2024 -5.083 -9.365 -2.136 1.00 61.14 C ATOM 191 CG HIS A2024 -4.024 -10.389 -2.469 1.00 22.34 C ATOM 192 ND1 HIS A2024 -4.263 -11.753 -2.430 1.00 3.43 N ATOM 193 CD2 HIS A2024 -2.724 -10.236 -2.848 1.00 22.34 C ATOM 194 CE1 HIS A2024 -3.147 -12.382 -2.771 1.00 53.43 C ATOM 195 NE2 HIS A2024 -2.193 -11.439 -3.028 1.00 30.53 N ATOM 0 H HIS A2024 -3.927 -10.363 -0.185 1.00 53.35 H new ATOM 0 HA HIS A2024 -4.133 -7.774 -1.122 1.00 63.52 H new ATOM 0 HB2 HIS A2024 -6.045 -9.869 -2.046 1.00 61.14 H new ATOM 0 HB3 HIS A2024 -5.168 -8.662 -2.965 1.00 61.14 H new ATOM 0 HD2 HIS A2024 -2.212 -9.294 -2.980 1.00 22.34 H new ATOM 0 HE1 HIS A2024 -3.015 -13.452 -2.834 1.00 53.43 H new ATOM 0 HE2 HIS A2024 -1.232 -11.628 -3.311 1.00 30.53 H new ATOM 204 N GLU A2025 -6.614 -8.612 0.748 1.00 1.44 N ATOM 205 CA GLU A2025 -7.817 -8.126 1.404 1.00 2.30 C ATOM 206 C GLU A2025 -7.518 -6.838 2.174 1.00 21.24 C ATOM 207 O GLU A2025 -8.367 -5.953 2.263 1.00 0.32 O ATOM 208 CB GLU A2025 -8.407 -9.193 2.329 1.00 25.23 C ATOM 209 CG GLU A2025 -9.767 -8.755 2.873 1.00 25.32 C ATOM 210 CD GLU A2025 -10.739 -8.441 1.734 1.00 52.21 C ATOM 211 OE1 GLU A2025 -10.884 -9.246 0.803 1.00 51.42 O ATOM 212 OE2 GLU A2025 -11.355 -7.313 1.839 1.00 34.10 O ATOM 0 H GLU A2025 -6.242 -9.482 1.129 1.00 1.44 H new ATOM 0 HA GLU A2025 -8.560 -7.905 0.638 1.00 2.30 H new ATOM 0 HB2 GLU A2025 -8.514 -10.132 1.786 1.00 25.23 H new ATOM 0 HB3 GLU A2025 -7.723 -9.380 3.157 1.00 25.23 H new ATOM 0 HG2 GLU A2025 -10.181 -9.542 3.503 1.00 25.32 H new ATOM 0 HG3 GLU A2025 -9.644 -7.875 3.504 1.00 25.32 H new ATOM 220 N MET A2026 -6.308 -6.776 2.712 1.00 33.24 N ATOM 221 CA MET A2026 -5.887 -5.611 3.473 1.00 63.11 C ATOM 222 C MET A2026 -5.495 -4.463 2.543 1.00 2.20 C ATOM 223 O MET A2026 -5.702 -3.296 2.870 1.00 54.42 O ATOM 224 CB MET A2026 -4.696 -5.984 4.358 1.00 55.25 C ATOM 225 CG MET A2026 -3.908 -4.736 4.767 1.00 3.00 C ATOM 226 SD MET A2026 -2.858 -4.209 3.424 1.00 75.54 S ATOM 227 CE MET A2026 -1.255 -4.472 4.161 1.00 11.23 C ATOM 0 H MET A2026 -5.607 -7.513 2.636 1.00 33.24 H new ATOM 0 HA MET A2026 -6.721 -5.282 4.092 1.00 63.11 H new ATOM 0 HB2 MET A2026 -5.048 -6.505 5.248 1.00 55.25 H new ATOM 0 HB3 MET A2026 -4.042 -6.673 3.823 1.00 55.25 H new ATOM 0 HG2 MET A2026 -4.595 -3.935 5.038 1.00 3.00 H new ATOM 0 HG3 MET A2026 -3.304 -4.950 5.649 1.00 3.00 H new ATOM 0 HE1 MET A2026 -0.666 -3.558 4.087 1.00 11.23 H new ATOM 0 HE2 MET A2026 -1.377 -4.741 5.210 1.00 11.23 H new ATOM 0 HE3 MET A2026 -0.741 -5.278 3.637 1.00 11.23 H new ATOM 237 N TRP A2027 -4.935 -4.832 1.400 1.00 1.41 N ATOM 238 CA TRP A2027 -4.511 -3.847 0.420 1.00 75.23 C ATOM 239 C TRP A2027 -5.761 -3.302 -0.273 1.00 72.20 C ATOM 240 O TRP A2027 -5.833 -2.116 -0.590 1.00 70.04 O ATOM 241 CB TRP A2027 -3.500 -4.446 -0.558 1.00 22.12 C ATOM 242 CG TRP A2027 -2.266 -5.051 0.117 1.00 62.25 C ATOM 243 CD1 TRP A2027 -2.223 -5.874 1.173 1.00 72.12 C ATOM 244 CD2 TRP A2027 -0.890 -4.847 -0.268 1.00 1.53 C ATOM 245 NE1 TRP A2027 -0.926 -6.214 1.499 1.00 52.42 N ATOM 246 CE2 TRP A2027 -0.089 -5.568 0.594 1.00 21.01 C ATOM 247 CE3 TRP A2027 -0.339 -4.079 -1.308 1.00 52.22 C ATOM 248 CZ2 TRP A2027 1.308 -5.593 0.503 1.00 71.04 C ATOM 249 CZ3 TRP A2027 1.059 -4.112 -1.385 1.00 74.32 C ATOM 250 CH2 TRP A2027 1.878 -4.834 -0.525 1.00 54.42 C ATOM 0 H TRP A2027 -4.765 -5.801 1.131 1.00 1.41 H new ATOM 0 HA TRP A2027 -3.992 -3.020 0.905 1.00 75.23 H new ATOM 0 HB2 TRP A2027 -3.994 -5.218 -1.148 1.00 22.12 H new ATOM 0 HB3 TRP A2027 -3.178 -3.670 -1.253 1.00 22.12 H new ATOM 0 HD1 TRP A2027 -3.095 -6.227 1.703 1.00 72.12 H new ATOM 0 HE1 TRP A2027 -0.635 -6.825 2.262 1.00 52.42 H new ATOM 0 HE3 TRP A2027 -0.946 -3.508 -1.994 1.00 52.22 H new ATOM 0 HZ2 TRP A2027 1.913 -6.167 1.189 1.00 71.04 H new ATOM 0 HZ3 TRP A2027 1.533 -3.537 -2.166 1.00 74.32 H new ATOM 0 HH2 TRP A2027 2.950 -4.809 -0.650 1.00 54.42 H new ATOM 261 N HIS A2028 -6.716 -4.195 -0.488 1.00 33.03 N ATOM 262 CA HIS A2028 -7.961 -3.819 -1.137 1.00 74.21 C ATOM 263 C HIS A2028 -8.763 -2.896 -0.215 1.00 25.21 C ATOM 264 O HIS A2028 -9.078 -1.767 -0.584 1.00 41.33 O ATOM 265 CB HIS A2028 -8.747 -5.059 -1.565 1.00 2.02 C ATOM 266 CG HIS A2028 -10.245 -4.909 -1.446 1.00 22.23 C ATOM 267 ND1 HIS A2028 -11.065 -4.681 -2.536 1.00 53.00 N ATOM 268 CD2 HIS A2028 -11.061 -4.957 -0.353 1.00 31.11 C ATOM 269 CE1 HIS A2028 -12.317 -4.597 -2.108 1.00 61.34 C ATOM 270 NE2 HIS A2028 -12.311 -4.767 -0.755 1.00 40.02 N ATOM 0 H HIS A2028 -6.653 -5.178 -0.224 1.00 33.03 H new ATOM 0 HA HIS A2028 -7.746 -3.264 -2.050 1.00 74.21 H new ATOM 0 HB2 HIS A2028 -8.497 -5.296 -2.599 1.00 2.02 H new ATOM 0 HB3 HIS A2028 -8.428 -5.906 -0.958 1.00 2.02 H new ATOM 0 HD1 HIS A2028 -10.759 -4.592 -3.505 1.00 53.00 H new ATOM 0 HD2 HIS A2028 -10.743 -5.122 0.666 1.00 31.11 H new ATOM 0 HE1 HIS A2028 -13.188 -4.424 -2.723 1.00 61.34 H new ATOM 279 N GLU A2029 -9.071 -3.415 0.963 1.00 14.12 N ATOM 280 CA GLU A2029 -9.829 -2.653 1.941 1.00 33.03 C ATOM 281 C GLU A2029 -8.989 -1.493 2.480 1.00 70.34 C ATOM 282 O GLU A2029 -9.527 -0.451 2.850 1.00 43.34 O ATOM 283 CB GLU A2029 -10.317 -3.552 3.079 1.00 42.43 C ATOM 284 CG GLU A2029 -9.213 -3.775 4.113 1.00 52.32 C ATOM 285 CD GLU A2029 -9.698 -4.676 5.250 1.00 2.22 C ATOM 286 OE1 GLU A2029 -10.325 -4.189 6.202 1.00 0.52 O ATOM 287 OE2 GLU A2029 -9.405 -5.927 5.117 1.00 53.35 O ATOM 0 H GLU A2029 -8.810 -4.354 1.263 1.00 14.12 H new ATOM 0 HA GLU A2029 -10.708 -2.239 1.446 1.00 33.03 H new ATOM 0 HB2 GLU A2029 -11.184 -3.098 3.559 1.00 42.43 H new ATOM 0 HB3 GLU A2029 -10.642 -4.511 2.676 1.00 42.43 H new ATOM 0 HG2 GLU A2029 -8.345 -4.227 3.632 1.00 52.32 H new ATOM 0 HG3 GLU A2029 -8.890 -2.816 4.517 1.00 52.32 H new ATOM 295 N GLY A2030 -7.683 -1.714 2.506 1.00 3.23 N ATOM 296 CA GLY A2030 -6.761 -0.701 2.994 1.00 71.52 C ATOM 297 C GLY A2030 -6.858 0.575 2.155 1.00 40.14 C ATOM 298 O GLY A2030 -7.254 1.624 2.659 1.00 43.14 O ATOM 0 H GLY A2030 -7.241 -2.580 2.197 1.00 3.23 H new ATOM 0 HA2 GLY A2030 -6.983 -0.473 4.037 1.00 71.52 H new ATOM 0 HA3 GLY A2030 -5.742 -1.086 2.962 1.00 71.52 H new ATOM 302 N LEU A2031 -6.488 0.442 0.890 1.00 30.53 N ATOM 303 CA LEU A2031 -6.527 1.571 -0.024 1.00 74.02 C ATOM 304 C LEU A2031 -7.968 2.067 -0.154 1.00 41.02 C ATOM 305 O LEU A2031 -8.205 3.259 -0.347 1.00 63.22 O ATOM 306 CB LEU A2031 -5.882 1.202 -1.362 1.00 13.45 C ATOM 307 CG LEU A2031 -4.426 1.637 -1.545 1.00 62.32 C ATOM 308 CD1 LEU A2031 -4.019 1.578 -3.019 1.00 75.31 C ATOM 309 CD2 LEU A2031 -4.186 3.022 -0.940 1.00 73.23 C ATOM 0 H LEU A2031 -6.160 -0.431 0.476 1.00 30.53 H new ATOM 0 HA LEU A2031 -5.938 2.399 0.370 1.00 74.02 H new ATOM 0 HB2 LEU A2031 -5.936 0.120 -1.483 1.00 13.45 H new ATOM 0 HB3 LEU A2031 -6.476 1.642 -2.163 1.00 13.45 H new ATOM 0 HG LEU A2031 -3.790 0.936 -1.005 1.00 62.32 H new ATOM 0 HD11 LEU A2031 -2.980 1.892 -3.122 1.00 75.31 H new ATOM 0 HD12 LEU A2031 -4.128 0.557 -3.386 1.00 75.31 H new ATOM 0 HD13 LEU A2031 -4.658 2.243 -3.600 1.00 75.31 H new ATOM 0 HD21 LEU A2031 -3.144 3.306 -1.084 1.00 73.23 H new ATOM 0 HD22 LEU A2031 -4.832 3.750 -1.431 1.00 73.23 H new ATOM 0 HD23 LEU A2031 -4.411 2.997 0.126 1.00 73.23 H new ATOM 321 N GLU A2032 -8.896 1.129 -0.042 1.00 12.15 N ATOM 322 CA GLU A2032 -10.307 1.455 -0.145 1.00 23.31 C ATOM 323 C GLU A2032 -10.669 2.570 0.838 1.00 45.13 C ATOM 324 O GLU A2032 -11.300 3.554 0.461 1.00 12.25 O ATOM 325 CB GLU A2032 -11.176 0.216 0.088 1.00 73.03 C ATOM 326 CG GLU A2032 -11.826 -0.251 -1.216 1.00 12.42 C ATOM 327 CD GLU A2032 -13.353 -0.188 -1.120 1.00 43.11 C ATOM 328 OE1 GLU A2032 -13.934 -0.699 -0.152 1.00 41.44 O ATOM 329 OE2 GLU A2032 -13.935 0.421 -2.098 1.00 25.44 O ATOM 0 H GLU A2032 -8.698 0.142 0.119 1.00 12.15 H new ATOM 0 HA GLU A2032 -10.503 1.811 -1.156 1.00 23.31 H new ATOM 0 HB2 GLU A2032 -10.567 -0.587 0.503 1.00 73.03 H new ATOM 0 HB3 GLU A2032 -11.949 0.442 0.823 1.00 73.03 H new ATOM 0 HG2 GLU A2032 -11.484 0.373 -2.041 1.00 12.42 H new ATOM 0 HG3 GLU A2032 -11.514 -1.272 -1.437 1.00 12.42 H new ATOM 337 N GLU A2033 -10.249 2.375 2.080 1.00 55.40 N ATOM 338 CA GLU A2033 -10.519 3.354 3.122 1.00 73.05 C ATOM 339 C GLU A2033 -9.548 4.530 3.012 1.00 44.53 C ATOM 340 O GLU A2033 -9.953 5.686 3.111 1.00 15.20 O ATOM 341 CB GLU A2033 -10.448 2.712 4.509 1.00 5.43 C ATOM 342 CG GLU A2033 -11.466 3.342 5.459 1.00 74.35 C ATOM 343 CD GLU A2033 -11.405 4.870 5.394 1.00 54.13 C ATOM 344 OE1 GLU A2033 -10.843 5.508 6.298 1.00 65.22 O ATOM 345 OE2 GLU A2033 -11.965 5.394 4.358 1.00 54.03 O ATOM 0 H GLU A2033 -9.725 1.556 2.388 1.00 55.40 H new ATOM 0 HA GLU A2033 -11.532 3.732 2.984 1.00 73.05 H new ATOM 0 HB2 GLU A2033 -10.636 1.641 4.428 1.00 5.43 H new ATOM 0 HB3 GLU A2033 -9.444 2.830 4.917 1.00 5.43 H new ATOM 0 HG2 GLU A2033 -12.469 3.003 5.200 1.00 74.35 H new ATOM 0 HG3 GLU A2033 -11.271 3.010 6.479 1.00 74.35 H new ATOM 353 N ALA A2034 -8.281 4.193 2.808 1.00 33.54 N ATOM 354 CA ALA A2034 -7.249 5.206 2.683 1.00 11.40 C ATOM 355 C ALA A2034 -7.596 6.144 1.526 1.00 42.13 C ATOM 356 O ALA A2034 -7.463 7.360 1.647 1.00 60.13 O ATOM 357 CB ALA A2034 -5.889 4.529 2.496 1.00 51.02 C ATOM 0 H ALA A2034 -7.948 3.232 2.726 1.00 33.54 H new ATOM 0 HA ALA A2034 -7.193 5.809 3.590 1.00 11.40 H new ATOM 0 HB1 ALA A2034 -5.114 5.290 2.402 1.00 51.02 H new ATOM 0 HB2 ALA A2034 -5.675 3.898 3.358 1.00 51.02 H new ATOM 0 HB3 ALA A2034 -5.908 3.917 1.594 1.00 51.02 H new ATOM 363 N SER A2035 -8.037 5.542 0.432 1.00 63.30 N ATOM 364 CA SER A2035 -8.407 6.309 -0.746 1.00 64.13 C ATOM 365 C SER A2035 -9.778 6.954 -0.544 1.00 1.34 C ATOM 366 O SER A2035 -9.958 8.138 -0.821 1.00 71.15 O ATOM 367 CB SER A2035 -8.414 5.426 -1.997 1.00 51.25 C ATOM 368 OG SER A2035 -9.510 4.515 -2.000 1.00 2.03 O ATOM 0 H SER A2035 -8.147 4.532 0.336 1.00 63.30 H new ATOM 0 HA SER A2035 -7.664 7.093 -0.890 1.00 64.13 H new ATOM 0 HB2 SER A2035 -8.463 6.056 -2.885 1.00 51.25 H new ATOM 0 HB3 SER A2035 -7.479 4.869 -2.053 1.00 51.25 H new ATOM 0 HG SER A2035 -9.437 3.913 -1.230 1.00 2.03 H new ATOM 374 N ARG A2036 -10.711 6.146 -0.060 1.00 62.12 N ATOM 375 CA ARG A2036 -12.061 6.623 0.185 1.00 71.14 C ATOM 376 C ARG A2036 -12.028 7.891 1.039 1.00 73.40 C ATOM 377 O ARG A2036 -12.719 8.866 0.736 1.00 0.44 O ATOM 378 CB ARG A2036 -12.901 5.559 0.894 1.00 73.31 C ATOM 379 CG ARG A2036 -14.228 6.146 1.383 1.00 65.41 C ATOM 380 CD ARG A2036 -14.131 6.572 2.849 1.00 43.04 C ATOM 381 NE ARG A2036 -15.300 7.406 3.211 1.00 44.43 N ATOM 382 CZ ARG A2036 -15.739 7.583 4.474 1.00 3.14 C ATOM 383 NH1 ARG A2036 -15.111 6.987 5.510 1.00 70.43 N ATOM 384 NH2 ARG A2036 -16.795 8.349 4.683 1.00 51.41 N ATOM 0 H ARG A2036 -10.558 5.164 0.169 1.00 62.12 H new ATOM 0 HA ARG A2036 -12.516 6.843 -0.781 1.00 71.14 H new ATOM 0 HB2 ARG A2036 -13.094 4.730 0.213 1.00 73.31 H new ATOM 0 HB3 ARG A2036 -12.344 5.154 1.739 1.00 73.31 H new ATOM 0 HG2 ARG A2036 -14.499 7.004 0.768 1.00 65.41 H new ATOM 0 HG3 ARG A2036 -15.021 5.408 1.267 1.00 65.41 H new ATOM 0 HD2 ARG A2036 -14.089 5.692 3.490 1.00 43.04 H new ATOM 0 HD3 ARG A2036 -13.210 7.131 3.014 1.00 43.04 H new ATOM 0 HE ARG A2036 -15.804 7.875 2.459 1.00 44.43 H new ATOM 0 HH11 ARG A2036 -14.297 6.396 5.341 1.00 70.43 H new ATOM 0 HH12 ARG A2036 -15.451 7.127 6.461 1.00 70.43 H new ATOM 0 HH21 ARG A2036 -17.265 8.796 3.896 1.00 51.41 H new ATOM 0 HH22 ARG A2036 -17.140 8.494 5.632 1.00 51.41 H new ATOM 396 N LEU A2037 -11.222 7.840 2.088 1.00 11.45 N ATOM 397 CA LEU A2037 -11.092 8.972 2.989 1.00 53.14 C ATOM 398 C LEU A2037 -10.322 10.092 2.285 1.00 64.03 C ATOM 399 O LEU A2037 -10.712 11.257 2.354 1.00 64.13 O ATOM 400 CB LEU A2037 -10.464 8.536 4.315 1.00 62.54 C ATOM 401 CG LEU A2037 -8.940 8.398 4.322 1.00 71.34 C ATOM 402 CD1 LEU A2037 -8.269 9.758 4.529 1.00 33.25 C ATOM 403 CD2 LEU A2037 -8.487 7.371 5.361 1.00 43.52 C ATOM 0 H LEU A2037 -10.651 7.031 2.335 1.00 11.45 H new ATOM 0 HA LEU A2037 -12.075 9.369 3.244 1.00 53.14 H new ATOM 0 HB2 LEU A2037 -10.747 9.256 5.083 1.00 62.54 H new ATOM 0 HB3 LEU A2037 -10.897 7.578 4.602 1.00 62.54 H new ATOM 0 HG LEU A2037 -8.625 8.028 3.346 1.00 71.34 H new ATOM 0 HD11 LEU A2037 -7.186 9.633 4.530 1.00 33.25 H new ATOM 0 HD12 LEU A2037 -8.556 10.432 3.722 1.00 33.25 H new ATOM 0 HD13 LEU A2037 -8.587 10.179 5.483 1.00 33.25 H new ATOM 0 HD21 LEU A2037 -7.400 7.292 5.345 1.00 43.52 H new ATOM 0 HD22 LEU A2037 -8.813 7.687 6.352 1.00 43.52 H new ATOM 0 HD23 LEU A2037 -8.924 6.400 5.128 1.00 43.52 H new ATOM 415 N TYR A2038 -9.243 9.700 1.623 1.00 35.12 N ATOM 416 CA TYR A2038 -8.415 10.656 0.907 1.00 55.33 C ATOM 417 C TYR A2038 -9.257 11.494 -0.058 1.00 44.04 C ATOM 418 O TYR A2038 -9.212 12.722 -0.019 1.00 15.23 O ATOM 419 CB TYR A2038 -7.413 9.826 0.102 1.00 21.40 C ATOM 420 CG TYR A2038 -6.486 10.659 -0.783 1.00 42.43 C ATOM 421 CD1 TYR A2038 -5.702 11.648 -0.225 1.00 54.04 C ATOM 422 CD2 TYR A2038 -6.431 10.422 -2.142 1.00 43.12 C ATOM 423 CE1 TYR A2038 -4.829 12.434 -1.059 1.00 1.25 C ATOM 424 CE2 TYR A2038 -5.557 11.206 -2.976 1.00 52.42 C ATOM 425 CZ TYR A2038 -4.799 12.173 -2.393 1.00 71.52 C ATOM 426 OH TYR A2038 -3.974 12.915 -3.181 1.00 23.52 O ATOM 0 H TYR A2038 -8.923 8.733 1.567 1.00 35.12 H new ATOM 0 HA TYR A2038 -7.928 11.340 1.602 1.00 55.33 H new ATOM 0 HB2 TYR A2038 -6.808 9.237 0.791 1.00 21.40 H new ATOM 0 HB3 TYR A2038 -7.960 9.121 -0.524 1.00 21.40 H new ATOM 0 HD1 TYR A2038 -5.743 11.833 0.838 1.00 54.04 H new ATOM 0 HD2 TYR A2038 -7.044 9.648 -2.580 1.00 43.12 H new ATOM 0 HE1 TYR A2038 -4.213 13.213 -0.634 1.00 1.25 H new ATOM 0 HE2 TYR A2038 -5.505 11.030 -4.040 1.00 52.42 H new ATOM 0 HH TYR A2038 -4.055 12.618 -4.111 1.00 23.52 H new ATOM 436 N PHE A2039 -10.004 10.798 -0.900 1.00 60.32 N ATOM 437 CA PHE A2039 -10.854 11.461 -1.874 1.00 3.51 C ATOM 438 C PHE A2039 -12.047 12.134 -1.191 1.00 42.31 C ATOM 439 O PHE A2039 -12.510 13.183 -1.636 1.00 32.25 O ATOM 440 CB PHE A2039 -11.368 10.383 -2.829 1.00 74.32 C ATOM 441 CG PHE A2039 -10.347 9.943 -3.880 1.00 51.43 C ATOM 442 CD1 PHE A2039 -9.186 9.350 -3.493 1.00 72.40 C ATOM 443 CD2 PHE A2039 -10.600 10.144 -5.200 1.00 53.13 C ATOM 444 CE1 PHE A2039 -8.238 8.940 -4.468 1.00 15.41 C ATOM 445 CE2 PHE A2039 -9.652 9.737 -6.177 1.00 35.14 C ATOM 446 CZ PHE A2039 -8.491 9.144 -5.788 1.00 44.23 C ATOM 0 H PHE A2039 -10.039 9.779 -0.928 1.00 60.32 H new ATOM 0 HA PHE A2039 -10.288 12.231 -2.399 1.00 3.51 H new ATOM 0 HB2 PHE A2039 -11.673 9.513 -2.248 1.00 74.32 H new ATOM 0 HB3 PHE A2039 -12.258 10.756 -3.336 1.00 74.32 H new ATOM 0 HD1 PHE A2039 -8.985 9.191 -2.444 1.00 72.40 H new ATOM 0 HD2 PHE A2039 -11.523 10.614 -5.507 1.00 53.13 H new ATOM 0 HE1 PHE A2039 -7.317 8.467 -4.161 1.00 15.41 H new ATOM 0 HE2 PHE A2039 -9.853 9.898 -7.226 1.00 35.14 H new ATOM 0 HZ PHE A2039 -7.769 8.835 -6.529 1.00 44.23 H new ATOM 456 N GLY A2040 -12.510 11.501 -0.122 1.00 72.31 N ATOM 457 CA GLY A2040 -13.640 12.025 0.624 1.00 11.34 C ATOM 458 C GLY A2040 -13.246 13.279 1.408 1.00 3.23 C ATOM 459 O GLY A2040 -14.071 14.164 1.625 1.00 54.52 O ATOM 0 H GLY A2040 -12.123 10.631 0.244 1.00 72.31 H new ATOM 0 HA2 GLY A2040 -14.454 12.261 -0.061 1.00 11.34 H new ATOM 0 HA3 GLY A2040 -14.011 11.264 1.311 1.00 11.34 H new ATOM 463 N GLU A2041 -11.984 13.312 1.813 1.00 31.52 N ATOM 464 CA GLU A2041 -11.470 14.442 2.568 1.00 65.14 C ATOM 465 C GLU A2041 -9.962 14.581 2.355 1.00 11.52 C ATOM 466 O GLU A2041 -9.247 13.582 2.281 1.00 64.13 O ATOM 467 CB GLU A2041 -11.804 14.305 4.055 1.00 54.11 C ATOM 468 CG GLU A2041 -10.960 13.209 4.707 1.00 51.34 C ATOM 469 CD GLU A2041 -11.847 12.187 5.420 1.00 4.15 C ATOM 470 OE1 GLU A2041 -11.865 12.139 6.660 1.00 14.02 O ATOM 471 OE2 GLU A2041 -12.533 11.423 4.641 1.00 34.54 O ATOM 0 H GLU A2041 -11.303 12.574 1.632 1.00 31.52 H new ATOM 0 HA GLU A2041 -11.953 15.348 2.203 1.00 65.14 H new ATOM 0 HB2 GLU A2041 -11.627 15.254 4.560 1.00 54.11 H new ATOM 0 HB3 GLU A2041 -12.862 14.073 4.174 1.00 54.11 H new ATOM 0 HG2 GLU A2041 -10.359 12.708 3.948 1.00 51.34 H new ATOM 0 HG3 GLU A2041 -10.266 13.655 5.420 1.00 51.34 H new ATOM 479 N ARG A2042 -9.521 15.826 2.265 1.00 70.04 N ATOM 480 CA ARG A2042 -8.110 16.109 2.062 1.00 51.25 C ATOM 481 C ARG A2042 -7.319 15.805 3.336 1.00 35.44 C ATOM 482 O ARG A2042 -6.657 16.684 3.884 1.00 44.22 O ATOM 483 CB ARG A2042 -7.891 17.571 1.672 1.00 64.22 C ATOM 484 CG ARG A2042 -6.801 17.698 0.605 1.00 42.21 C ATOM 485 CD ARG A2042 -7.313 17.228 -0.760 1.00 43.31 C ATOM 486 NE ARG A2042 -7.594 18.396 -1.624 1.00 35.21 N ATOM 487 CZ ARG A2042 -8.015 18.308 -2.902 1.00 42.34 C ATOM 488 NH1 ARG A2042 -8.206 17.101 -3.478 1.00 73.15 N ATOM 489 NH2 ARG A2042 -8.236 19.419 -3.583 1.00 30.53 N ATOM 0 H ARG A2042 -10.116 16.652 2.329 1.00 70.04 H new ATOM 0 HA ARG A2042 -7.758 15.472 1.250 1.00 51.25 H new ATOM 0 HB2 ARG A2042 -8.823 17.994 1.297 1.00 64.22 H new ATOM 0 HB3 ARG A2042 -7.611 18.148 2.553 1.00 64.22 H new ATOM 0 HG2 ARG A2042 -6.473 18.735 0.537 1.00 42.21 H new ATOM 0 HG3 ARG A2042 -5.932 17.107 0.895 1.00 42.21 H new ATOM 0 HD2 ARG A2042 -6.572 16.585 -1.234 1.00 43.31 H new ATOM 0 HD3 ARG A2042 -8.217 16.633 -0.633 1.00 43.31 H new ATOM 0 HE ARG A2042 -7.461 19.326 -1.228 1.00 35.21 H new ATOM 0 HH11 ARG A2042 -8.032 16.249 -2.946 1.00 73.15 H new ATOM 0 HH12 ARG A2042 -8.525 17.042 -4.445 1.00 73.15 H new ATOM 0 HH21 ARG A2042 -8.088 20.326 -3.141 1.00 30.53 H new ATOM 0 HH22 ARG A2042 -8.555 19.369 -4.551 1.00 30.53 H new ATOM 501 N ASN A2043 -7.415 14.557 3.770 1.00 1.21 N ATOM 502 CA ASN A2043 -6.718 14.126 4.969 1.00 53.31 C ATOM 503 C ASN A2043 -5.784 12.965 4.621 1.00 23.34 C ATOM 504 O ASN A2043 -6.136 11.802 4.815 1.00 74.42 O ATOM 505 CB ASN A2043 -7.702 13.638 6.034 1.00 75.11 C ATOM 506 CG ASN A2043 -8.505 14.805 6.613 1.00 72.41 C ATOM 507 OD1 ASN A2043 -9.040 15.639 5.900 1.00 44.44 O ATOM 508 ND2 ASN A2043 -8.561 14.817 7.941 1.00 33.34 N ATOM 0 H ASN A2043 -7.965 13.830 3.312 1.00 1.21 H new ATOM 0 HA ASN A2043 -6.159 14.977 5.358 1.00 53.31 H new ATOM 0 HB2 ASN A2043 -8.381 12.905 5.599 1.00 75.11 H new ATOM 0 HB3 ASN A2043 -7.158 13.134 6.833 1.00 75.11 H new ATOM 0 HD21 ASN A2043 -9.074 15.555 8.423 1.00 33.34 H new ATOM 0 HD22 ASN A2043 -8.091 14.088 8.478 1.00 33.34 H new ATOM 515 N VAL A2044 -4.613 13.320 4.115 1.00 3.02 N ATOM 516 CA VAL A2044 -3.627 12.321 3.739 1.00 13.21 C ATOM 517 C VAL A2044 -3.209 11.530 4.980 1.00 23.44 C ATOM 518 O VAL A2044 -2.572 10.483 4.868 1.00 0.43 O ATOM 519 CB VAL A2044 -2.447 12.990 3.031 1.00 41.23 C ATOM 520 CG1 VAL A2044 -1.450 11.949 2.523 1.00 1.42 C ATOM 521 CG2 VAL A2044 -2.929 13.889 1.892 1.00 51.11 C ATOM 0 H VAL A2044 -4.324 14.285 3.956 1.00 3.02 H new ATOM 0 HA VAL A2044 -4.054 11.612 3.030 1.00 13.21 H new ATOM 0 HB VAL A2044 -1.933 13.618 3.759 1.00 41.23 H new ATOM 0 HG11 VAL A2044 -0.622 12.452 2.024 1.00 1.42 H new ATOM 0 HG12 VAL A2044 -1.069 11.369 3.364 1.00 1.42 H new ATOM 0 HG13 VAL A2044 -1.947 11.282 1.818 1.00 1.42 H new ATOM 0 HG21 VAL A2044 -2.070 14.352 1.406 1.00 51.11 H new ATOM 0 HG22 VAL A2044 -3.479 13.292 1.165 1.00 51.11 H new ATOM 0 HG23 VAL A2044 -3.581 14.665 2.292 1.00 51.11 H new ATOM 531 N LYS A2045 -3.584 12.060 6.134 1.00 13.13 N ATOM 532 CA LYS A2045 -3.257 11.417 7.396 1.00 43.24 C ATOM 533 C LYS A2045 -4.082 10.137 7.541 1.00 23.02 C ATOM 534 O LYS A2045 -3.581 9.121 8.022 1.00 40.44 O ATOM 535 CB LYS A2045 -3.431 12.396 8.557 1.00 75.41 C ATOM 536 CG LYS A2045 -4.856 12.955 8.594 1.00 63.33 C ATOM 537 CD LYS A2045 -5.638 12.387 9.778 1.00 11.03 C ATOM 538 CE LYS A2045 -5.853 13.452 10.855 1.00 54.31 C ATOM 539 NZ LYS A2045 -7.062 13.147 11.654 1.00 72.42 N ATOM 0 H LYS A2045 -4.112 12.928 6.222 1.00 13.13 H new ATOM 0 HA LYS A2045 -2.208 11.123 7.413 1.00 43.24 H new ATOM 0 HB2 LYS A2045 -3.209 11.893 9.498 1.00 75.41 H new ATOM 0 HB3 LYS A2045 -2.718 13.214 8.457 1.00 75.41 H new ATOM 0 HG2 LYS A2045 -4.822 14.042 8.664 1.00 63.33 H new ATOM 0 HG3 LYS A2045 -5.370 12.712 7.664 1.00 63.33 H new ATOM 0 HD2 LYS A2045 -6.602 12.012 9.435 1.00 11.03 H new ATOM 0 HD3 LYS A2045 -5.099 11.540 10.202 1.00 11.03 H new ATOM 0 HE2 LYS A2045 -4.981 13.498 11.508 1.00 54.31 H new ATOM 0 HE3 LYS A2045 -5.956 14.432 10.390 1.00 54.31 H new ATOM 0 HZ1 LYS A2045 -7.192 13.880 12.380 1.00 72.42 H new ATOM 0 HZ2 LYS A2045 -7.894 13.126 11.030 1.00 72.42 H new ATOM 0 HZ3 LYS A2045 -6.950 12.221 12.114 1.00 72.42 H new ATOM 552 N GLY A2046 -5.333 10.226 7.111 1.00 42.01 N ATOM 553 CA GLY A2046 -6.231 9.087 7.187 1.00 13.12 C ATOM 554 C GLY A2046 -5.643 7.874 6.463 1.00 52.22 C ATOM 555 O GLY A2046 -5.480 6.810 7.058 1.00 62.21 O ATOM 0 H GLY A2046 -5.745 11.068 6.709 1.00 42.01 H new ATOM 0 HA2 GLY A2046 -6.418 8.836 8.231 1.00 13.12 H new ATOM 0 HA3 GLY A2046 -7.193 9.348 6.745 1.00 13.12 H new ATOM 559 N MET A2047 -5.340 8.077 5.189 1.00 63.21 N ATOM 560 CA MET A2047 -4.774 7.012 4.377 1.00 63.23 C ATOM 561 C MET A2047 -3.451 6.517 4.967 1.00 32.10 C ATOM 562 O MET A2047 -3.193 5.316 4.997 1.00 4.31 O ATOM 563 CB MET A2047 -4.538 7.525 2.955 1.00 42.50 C ATOM 564 CG MET A2047 -4.552 9.055 2.914 1.00 32.33 C ATOM 565 SD MET A2047 -3.805 9.633 1.399 1.00 0.03 S ATOM 566 CE MET A2047 -2.119 9.114 1.668 1.00 51.21 C ATOM 0 H MET A2047 -5.475 8.962 4.699 1.00 63.21 H new ATOM 0 HA MET A2047 -5.478 6.180 4.361 1.00 63.23 H new ATOM 0 HB2 MET A2047 -3.581 7.157 2.586 1.00 42.50 H new ATOM 0 HB3 MET A2047 -5.308 7.133 2.291 1.00 42.50 H new ATOM 0 HG2 MET A2047 -5.577 9.419 2.986 1.00 32.33 H new ATOM 0 HG3 MET A2047 -4.011 9.455 3.771 1.00 32.33 H new ATOM 0 HE1 MET A2047 -1.450 9.720 1.057 1.00 51.21 H new ATOM 0 HE2 MET A2047 -1.863 9.239 2.720 1.00 51.21 H new ATOM 0 HE3 MET A2047 -2.013 8.065 1.391 1.00 51.21 H new ATOM 576 N PHE A2048 -2.649 7.470 5.420 1.00 24.40 N ATOM 577 CA PHE A2048 -1.361 7.146 6.008 1.00 41.22 C ATOM 578 C PHE A2048 -1.530 6.282 7.258 1.00 14.01 C ATOM 579 O PHE A2048 -0.777 5.330 7.466 1.00 74.11 O ATOM 580 CB PHE A2048 -0.704 8.470 6.402 1.00 22.20 C ATOM 581 CG PHE A2048 0.015 9.176 5.250 1.00 0.15 C ATOM 582 CD1 PHE A2048 0.540 8.449 4.228 1.00 23.44 C ATOM 583 CD2 PHE A2048 0.130 10.532 5.250 1.00 2.31 C ATOM 584 CE1 PHE A2048 1.206 9.104 3.159 1.00 74.22 C ATOM 585 CE2 PHE A2048 0.798 11.187 4.181 1.00 3.34 C ATOM 586 CZ PHE A2048 1.321 10.458 3.157 1.00 12.32 C ATOM 0 H PHE A2048 -2.867 8.466 5.391 1.00 24.40 H new ATOM 0 HA PHE A2048 -0.756 6.588 5.294 1.00 41.22 H new ATOM 0 HB2 PHE A2048 -1.467 9.137 6.803 1.00 22.20 H new ATOM 0 HB3 PHE A2048 0.011 8.284 7.204 1.00 22.20 H new ATOM 0 HD1 PHE A2048 0.450 7.373 4.229 1.00 23.44 H new ATOM 0 HD2 PHE A2048 -0.286 11.110 6.062 1.00 2.31 H new ATOM 0 HE1 PHE A2048 1.621 8.526 2.347 1.00 74.22 H new ATOM 0 HE2 PHE A2048 0.891 12.263 4.181 1.00 3.34 H new ATOM 0 HZ PHE A2048 1.827 10.956 2.343 1.00 12.32 H new ATOM 596 N GLU A2049 -2.521 6.642 8.058 1.00 34.01 N ATOM 597 CA GLU A2049 -2.799 5.912 9.284 1.00 62.14 C ATOM 598 C GLU A2049 -3.460 4.571 8.963 1.00 20.41 C ATOM 599 O GLU A2049 -3.553 3.699 9.825 1.00 22.34 O ATOM 600 CB GLU A2049 -3.668 6.739 10.232 1.00 73.42 C ATOM 601 CG GLU A2049 -5.064 6.958 9.643 1.00 54.42 C ATOM 602 CD GLU A2049 -6.073 7.306 10.740 1.00 33.32 C ATOM 603 OE1 GLU A2049 -6.779 8.319 10.635 1.00 40.34 O ATOM 604 OE2 GLU A2049 -6.110 6.479 11.730 1.00 10.02 O ATOM 0 H GLU A2049 -3.143 7.431 7.882 1.00 34.01 H new ATOM 0 HA GLU A2049 -1.853 5.718 9.790 1.00 62.14 H new ATOM 0 HB2 GLU A2049 -3.750 6.231 11.193 1.00 73.42 H new ATOM 0 HB3 GLU A2049 -3.193 7.702 10.420 1.00 73.42 H new ATOM 0 HG2 GLU A2049 -5.030 7.761 8.907 1.00 54.42 H new ATOM 0 HG3 GLU A2049 -5.387 6.058 9.119 1.00 54.42 H new ATOM 612 N VAL A2050 -3.903 4.446 7.720 1.00 15.21 N ATOM 613 CA VAL A2050 -4.554 3.226 7.275 1.00 52.21 C ATOM 614 C VAL A2050 -3.488 2.202 6.879 1.00 30.10 C ATOM 615 O VAL A2050 -3.563 1.040 7.275 1.00 31.34 O ATOM 616 CB VAL A2050 -5.533 3.538 6.141 1.00 53.34 C ATOM 617 CG1 VAL A2050 -5.856 2.280 5.334 1.00 72.22 C ATOM 618 CG2 VAL A2050 -6.809 4.187 6.683 1.00 45.44 C ATOM 0 H VAL A2050 -3.823 5.171 7.007 1.00 15.21 H new ATOM 0 HA VAL A2050 -5.142 2.790 8.083 1.00 52.21 H new ATOM 0 HB VAL A2050 -5.054 4.251 5.470 1.00 53.34 H new ATOM 0 HG11 VAL A2050 -6.554 2.530 4.535 1.00 72.22 H new ATOM 0 HG12 VAL A2050 -4.939 1.879 4.903 1.00 72.22 H new ATOM 0 HG13 VAL A2050 -6.306 1.534 5.988 1.00 72.22 H new ATOM 0 HG21 VAL A2050 -7.488 4.399 5.857 1.00 45.44 H new ATOM 0 HG22 VAL A2050 -7.292 3.508 7.386 1.00 45.44 H new ATOM 0 HG23 VAL A2050 -6.556 5.117 7.193 1.00 45.44 H new ATOM 628 N LEU A2051 -2.521 2.670 6.103 1.00 61.33 N ATOM 629 CA LEU A2051 -1.443 1.808 5.650 1.00 61.31 C ATOM 630 C LEU A2051 -0.439 1.614 6.789 1.00 42.10 C ATOM 631 O LEU A2051 0.037 0.503 7.018 1.00 43.13 O ATOM 632 CB LEU A2051 -0.818 2.361 4.367 1.00 12.55 C ATOM 633 CG LEU A2051 -1.712 3.276 3.528 1.00 55.54 C ATOM 634 CD1 LEU A2051 -1.167 3.416 2.105 1.00 74.34 C ATOM 635 CD2 LEU A2051 -3.162 2.789 3.541 1.00 64.25 C ATOM 0 H LEU A2051 -2.462 3.635 5.777 1.00 61.33 H new ATOM 0 HA LEU A2051 -1.827 0.821 5.391 1.00 61.31 H new ATOM 0 HB2 LEU A2051 0.084 2.912 4.634 1.00 12.55 H new ATOM 0 HB3 LEU A2051 -0.507 1.521 3.746 1.00 12.55 H new ATOM 0 HG LEU A2051 -1.703 4.269 3.977 1.00 55.54 H new ATOM 0 HD11 LEU A2051 -1.820 4.071 1.528 1.00 74.34 H new ATOM 0 HD12 LEU A2051 -0.164 3.842 2.140 1.00 74.34 H new ATOM 0 HD13 LEU A2051 -1.128 2.435 1.632 1.00 74.34 H new ATOM 0 HD21 LEU A2051 -3.776 3.457 2.937 1.00 64.25 H new ATOM 0 HD22 LEU A2051 -3.211 1.781 3.130 1.00 64.25 H new ATOM 0 HD23 LEU A2051 -3.534 2.781 4.565 1.00 64.25 H new ATOM 647 N GLU A2052 -0.147 2.710 7.472 1.00 23.41 N ATOM 648 CA GLU A2052 0.791 2.675 8.580 1.00 42.11 C ATOM 649 C GLU A2052 0.651 1.361 9.352 1.00 73.40 C ATOM 650 O GLU A2052 1.630 0.646 9.553 1.00 44.31 O ATOM 651 CB GLU A2052 0.595 3.877 9.505 1.00 72.32 C ATOM 652 CG GLU A2052 1.738 4.882 9.349 1.00 52.33 C ATOM 653 CD GLU A2052 1.222 6.223 8.824 1.00 24.11 C ATOM 654 OE1 GLU A2052 0.652 7.012 9.592 1.00 24.14 O ATOM 655 OE2 GLU A2052 1.434 6.436 7.570 1.00 24.24 O ATOM 0 H GLU A2052 -0.544 3.629 7.279 1.00 23.41 H new ATOM 0 HA GLU A2052 1.802 2.732 8.176 1.00 42.11 H new ATOM 0 HB2 GLU A2052 -0.354 4.363 9.279 1.00 72.32 H new ATOM 0 HB3 GLU A2052 0.542 3.539 10.540 1.00 72.32 H new ATOM 0 HG2 GLU A2052 2.231 5.029 10.310 1.00 52.33 H new ATOM 0 HG3 GLU A2052 2.487 4.483 8.664 1.00 52.33 H new ATOM 663 N PRO A2053 -0.611 1.076 9.777 1.00 43.14 N ATOM 664 CA PRO A2053 -0.892 -0.139 10.522 1.00 14.33 C ATOM 665 C PRO A2053 -0.888 -1.360 9.602 1.00 22.44 C ATOM 666 O PRO A2053 -0.210 -2.348 9.879 1.00 21.15 O ATOM 667 CB PRO A2053 -2.241 0.106 11.179 1.00 70.45 C ATOM 668 CG PRO A2053 -2.878 1.252 10.408 1.00 21.22 C ATOM 669 CD PRO A2053 -1.795 1.899 9.558 1.00 34.14 C ATOM 0 HA PRO A2053 -0.132 -0.358 11.272 1.00 14.33 H new ATOM 0 HB2 PRO A2053 -2.864 -0.787 11.137 1.00 70.45 H new ATOM 0 HB3 PRO A2053 -2.122 0.362 12.232 1.00 70.45 H new ATOM 0 HG2 PRO A2053 -3.689 0.885 9.779 1.00 21.22 H new ATOM 0 HG3 PRO A2053 -3.311 1.980 11.094 1.00 21.22 H new ATOM 0 HD2 PRO A2053 -2.076 1.916 8.505 1.00 34.14 H new ATOM 0 HD3 PRO A2053 -1.620 2.932 9.858 1.00 34.14 H new ATOM 677 N LEU A2054 -1.655 -1.255 8.526 1.00 14.22 N ATOM 678 CA LEU A2054 -1.748 -2.338 7.563 1.00 32.31 C ATOM 679 C LEU A2054 -0.341 -2.828 7.214 1.00 12.14 C ATOM 680 O LEU A2054 -0.047 -4.016 7.339 1.00 5.50 O ATOM 681 CB LEU A2054 -2.566 -1.904 6.345 1.00 14.24 C ATOM 682 CG LEU A2054 -4.080 -1.815 6.551 1.00 41.45 C ATOM 683 CD1 LEU A2054 -4.800 -1.569 5.224 1.00 33.22 C ATOM 684 CD2 LEU A2054 -4.609 -3.057 7.270 1.00 23.44 C ATOM 0 H LEU A2054 -2.218 -0.435 8.300 1.00 14.22 H new ATOM 0 HA LEU A2054 -2.284 -3.184 7.994 1.00 32.31 H new ATOM 0 HB2 LEU A2054 -2.206 -0.928 6.019 1.00 14.24 H new ATOM 0 HB3 LEU A2054 -2.370 -2.604 5.533 1.00 14.24 H new ATOM 0 HG LEU A2054 -4.288 -0.959 7.193 1.00 41.45 H new ATOM 0 HD11 LEU A2054 -5.874 -1.510 5.398 1.00 33.22 H new ATOM 0 HD12 LEU A2054 -4.451 -0.633 4.789 1.00 33.22 H new ATOM 0 HD13 LEU A2054 -4.588 -2.389 4.538 1.00 33.22 H new ATOM 0 HD21 LEU A2054 -5.687 -2.968 7.404 1.00 23.44 H new ATOM 0 HD22 LEU A2054 -4.389 -3.943 6.675 1.00 23.44 H new ATOM 0 HD23 LEU A2054 -4.128 -3.146 8.244 1.00 23.44 H new ATOM 696 N HIS A2055 0.489 -1.888 6.787 1.00 53.23 N ATOM 697 CA HIS A2055 1.858 -2.210 6.420 1.00 30.31 C ATOM 698 C HIS A2055 2.600 -2.757 7.640 1.00 24.13 C ATOM 699 O HIS A2055 3.284 -3.777 7.549 1.00 32.04 O ATOM 700 CB HIS A2055 2.552 -0.998 5.798 1.00 43.22 C ATOM 701 CG HIS A2055 2.078 -0.667 4.404 1.00 75.23 C ATOM 702 ND1 HIS A2055 2.097 0.620 3.890 1.00 2.22 N ATOM 703 CD2 HIS A2055 1.573 -1.465 3.421 1.00 42.31 C ATOM 704 CE1 HIS A2055 1.621 0.582 2.654 1.00 51.31 C ATOM 705 NE2 HIS A2055 1.296 -0.709 2.365 1.00 71.31 N ATOM 0 H HIS A2055 0.240 -0.904 6.687 1.00 53.23 H new ATOM 0 HA HIS A2055 1.861 -2.988 5.657 1.00 30.31 H new ATOM 0 HB2 HIS A2055 2.392 -0.132 6.440 1.00 43.22 H new ATOM 0 HB3 HIS A2055 3.626 -1.181 5.771 1.00 43.22 H new ATOM 0 HD2 HIS A2055 1.423 -2.532 3.489 1.00 42.31 H new ATOM 0 HE1 HIS A2055 1.510 1.427 1.991 1.00 51.31 H new ATOM 0 HE2 HIS A2055 0.905 -1.040 1.483 1.00 71.31 H new ATOM 714 N ALA A2056 2.443 -2.056 8.753 1.00 53.51 N ATOM 715 CA ALA A2056 3.090 -2.459 9.990 1.00 51.13 C ATOM 716 C ALA A2056 2.709 -3.906 10.313 1.00 74.34 C ATOM 717 O ALA A2056 3.572 -4.728 10.611 1.00 72.15 O ATOM 718 CB ALA A2056 2.702 -1.489 11.108 1.00 24.01 C ATOM 0 H ALA A2056 1.877 -1.211 8.824 1.00 53.51 H new ATOM 0 HA ALA A2056 4.174 -2.420 9.887 1.00 51.13 H new ATOM 0 HB1 ALA A2056 3.187 -1.791 12.036 1.00 24.01 H new ATOM 0 HB2 ALA A2056 3.022 -0.481 10.843 1.00 24.01 H new ATOM 0 HB3 ALA A2056 1.620 -1.503 11.243 1.00 24.01 H new ATOM 724 N MET A2057 1.412 -4.171 10.242 1.00 61.25 N ATOM 725 CA MET A2057 0.906 -5.503 10.524 1.00 2.04 C ATOM 726 C MET A2057 1.645 -6.557 9.696 1.00 2.34 C ATOM 727 O MET A2057 1.926 -7.649 10.186 1.00 23.05 O ATOM 728 CB MET A2057 -0.589 -5.560 10.202 1.00 54.32 C ATOM 729 CG MET A2057 -0.887 -6.643 9.165 1.00 12.12 C ATOM 730 SD MET A2057 -2.651 -6.873 9.011 1.00 60.11 S ATOM 731 CE MET A2057 -2.748 -7.388 7.304 1.00 61.33 C ATOM 0 H MET A2057 0.698 -3.486 9.994 1.00 61.25 H new ATOM 0 HA MET A2057 1.069 -5.717 11.580 1.00 2.04 H new ATOM 0 HB2 MET A2057 -1.153 -5.759 11.113 1.00 54.32 H new ATOM 0 HB3 MET A2057 -0.921 -4.592 9.827 1.00 54.32 H new ATOM 0 HG2 MET A2057 -0.463 -6.361 8.201 1.00 12.12 H new ATOM 0 HG3 MET A2057 -0.414 -7.580 9.460 1.00 12.12 H new ATOM 0 HE1 MET A2057 -3.667 -7.952 7.146 1.00 61.33 H new ATOM 0 HE2 MET A2057 -2.745 -6.510 6.658 1.00 61.33 H new ATOM 0 HE3 MET A2057 -1.891 -8.017 7.065 1.00 61.33 H new ATOM 741 N MET A2058 1.938 -6.191 8.457 1.00 31.43 N ATOM 742 CA MET A2058 2.640 -7.092 7.558 1.00 61.44 C ATOM 743 C MET A2058 4.058 -7.373 8.060 1.00 70.44 C ATOM 744 O MET A2058 4.497 -8.521 8.077 1.00 63.04 O ATOM 745 CB MET A2058 2.705 -6.470 6.162 1.00 73.34 C ATOM 746 CG MET A2058 1.316 -6.040 5.687 1.00 70.02 C ATOM 747 SD MET A2058 0.810 -7.034 4.294 1.00 60.31 S ATOM 748 CE MET A2058 -0.862 -7.425 4.781 1.00 55.21 C ATOM 0 H MET A2058 1.703 -5.284 8.054 1.00 31.43 H new ATOM 0 HA MET A2058 2.096 -8.036 7.520 1.00 61.44 H new ATOM 0 HB2 MET A2058 3.372 -5.608 6.175 1.00 73.34 H new ATOM 0 HB3 MET A2058 3.127 -7.189 5.459 1.00 73.34 H new ATOM 0 HG2 MET A2058 0.597 -6.145 6.499 1.00 70.02 H new ATOM 0 HG3 MET A2058 1.329 -4.987 5.407 1.00 70.02 H new ATOM 0 HE1 MET A2058 -1.484 -7.534 3.892 1.00 55.21 H new ATOM 0 HE2 MET A2058 -0.868 -8.358 5.345 1.00 55.21 H new ATOM 0 HE3 MET A2058 -1.257 -6.622 5.404 1.00 55.21 H new ATOM 758 N GLU A2059 4.733 -6.305 8.454 1.00 51.24 N ATOM 759 CA GLU A2059 6.093 -6.422 8.954 1.00 61.25 C ATOM 760 C GLU A2059 6.136 -7.366 10.155 1.00 1.34 C ATOM 761 O GLU A2059 6.788 -8.410 10.107 1.00 54.21 O ATOM 762 CB GLU A2059 6.665 -5.050 9.315 1.00 12.15 C ATOM 763 CG GLU A2059 6.210 -3.985 8.314 1.00 50.21 C ATOM 764 CD GLU A2059 6.207 -4.539 6.888 1.00 34.24 C ATOM 765 OE1 GLU A2059 7.042 -5.391 6.553 1.00 61.12 O ATOM 766 OE2 GLU A2059 5.293 -4.055 6.116 1.00 43.44 O ATOM 0 H GLU A2059 4.365 -5.354 8.438 1.00 51.24 H new ATOM 0 HA GLU A2059 6.715 -6.841 8.163 1.00 61.25 H new ATOM 0 HB2 GLU A2059 6.345 -4.771 10.319 1.00 12.15 H new ATOM 0 HB3 GLU A2059 7.754 -5.099 9.330 1.00 12.15 H new ATOM 0 HG2 GLU A2059 5.210 -3.639 8.575 1.00 50.21 H new ATOM 0 HG3 GLU A2059 6.872 -3.121 8.371 1.00 50.21 H new ATOM 774 N ARG A2060 5.434 -6.970 11.207 1.00 64.22 N ATOM 775 CA ARG A2060 5.386 -7.770 12.419 1.00 14.23 C ATOM 776 C ARG A2060 4.704 -9.110 12.143 1.00 64.15 C ATOM 777 O ARG A2060 5.063 -10.128 12.736 1.00 41.23 O ATOM 778 CB ARG A2060 4.628 -7.039 13.529 1.00 34.31 C ATOM 779 CG ARG A2060 3.200 -6.705 13.090 1.00 53.32 C ATOM 780 CD ARG A2060 2.539 -5.732 14.071 1.00 20.04 C ATOM 781 NE ARG A2060 1.254 -6.289 14.547 1.00 44.23 N ATOM 782 CZ ARG A2060 1.144 -7.190 15.546 1.00 41.52 C ATOM 783 NH1 ARG A2060 2.245 -7.645 16.183 1.00 55.31 N ATOM 784 NH2 ARG A2060 -0.055 -7.621 15.891 1.00 5.12 N ATOM 0 H ARG A2060 4.894 -6.106 11.245 1.00 64.22 H new ATOM 0 HA ARG A2060 6.412 -7.941 12.746 1.00 14.23 H new ATOM 0 HB2 ARG A2060 4.601 -7.659 14.425 1.00 34.31 H new ATOM 0 HB3 ARG A2060 5.155 -6.122 13.791 1.00 34.31 H new ATOM 0 HG2 ARG A2060 3.215 -6.267 12.092 1.00 53.32 H new ATOM 0 HG3 ARG A2060 2.611 -7.620 13.027 1.00 53.32 H new ATOM 0 HD2 ARG A2060 3.201 -5.550 14.917 1.00 20.04 H new ATOM 0 HD3 ARG A2060 2.371 -4.771 13.585 1.00 20.04 H new ATOM 0 HE ARG A2060 0.398 -5.973 14.092 1.00 44.23 H new ATOM 0 HH11 ARG A2060 3.168 -7.308 15.910 1.00 55.31 H new ATOM 0 HH12 ARG A2060 2.153 -8.326 16.937 1.00 55.31 H new ATOM 0 HH21 ARG A2060 -0.881 -7.273 15.405 1.00 5.12 H new ATOM 0 HH22 ARG A2060 -0.155 -8.302 16.644 1.00 5.12 H new ATOM 796 N GLY A2061 3.732 -9.071 11.243 1.00 15.22 N ATOM 797 CA GLY A2061 2.997 -10.271 10.881 1.00 5.02 C ATOM 798 C GLY A2061 3.049 -10.512 9.372 1.00 13.00 C ATOM 799 O GLY A2061 2.184 -10.040 8.635 1.00 61.55 O ATOM 0 H GLY A2061 3.436 -8.226 10.754 1.00 15.22 H new ATOM 0 HA2 GLY A2061 3.416 -11.130 11.405 1.00 5.02 H new ATOM 0 HA3 GLY A2061 1.960 -10.177 11.202 1.00 5.02 H new ATOM 803 N PRO A2062 4.100 -11.261 8.944 1.00 1.35 N ATOM 804 CA PRO A2062 4.276 -11.569 7.534 1.00 33.52 C ATOM 805 C PRO A2062 3.282 -12.640 7.080 1.00 74.24 C ATOM 806 O PRO A2062 2.147 -12.325 6.722 1.00 30.51 O ATOM 807 CB PRO A2062 5.725 -12.011 7.406 1.00 54.14 C ATOM 808 CG PRO A2062 6.173 -12.379 8.812 1.00 64.53 C ATOM 809 CD PRO A2062 5.144 -11.835 9.788 1.00 60.11 C ATOM 0 HA PRO A2062 4.076 -10.714 6.888 1.00 33.52 H new ATOM 0 HB2 PRO A2062 5.816 -12.862 6.732 1.00 54.14 H new ATOM 0 HB3 PRO A2062 6.343 -11.212 6.996 1.00 54.14 H new ATOM 0 HG2 PRO A2062 6.260 -13.461 8.914 1.00 64.53 H new ATOM 0 HG3 PRO A2062 7.157 -11.959 9.021 1.00 64.53 H new ATOM 0 HD2 PRO A2062 4.748 -12.625 10.426 1.00 60.11 H new ATOM 0 HD3 PRO A2062 5.580 -11.083 10.445 1.00 60.11 H new ATOM 817 N GLN A2063 3.742 -13.881 7.107 1.00 41.34 N ATOM 818 CA GLN A2063 2.908 -15.000 6.703 1.00 40.24 C ATOM 819 C GLN A2063 3.703 -16.305 6.767 1.00 4.51 C ATOM 820 O GLN A2063 3.617 -17.040 7.749 1.00 34.33 O ATOM 821 CB GLN A2063 2.334 -14.776 5.301 1.00 41.45 C ATOM 822 CG GLN A2063 0.807 -14.709 5.339 1.00 53.33 C ATOM 823 CD GLN A2063 0.189 -16.051 4.942 1.00 63.24 C ATOM 824 OE1 GLN A2063 0.302 -16.505 3.815 1.00 73.14 O ATOM 825 NE2 GLN A2063 -0.469 -16.657 5.925 1.00 43.14 N ATOM 0 H GLN A2063 4.684 -14.137 7.403 1.00 41.34 H new ATOM 0 HA GLN A2063 2.070 -15.074 7.397 1.00 40.24 H new ATOM 0 HB2 GLN A2063 2.732 -13.851 4.885 1.00 41.45 H new ATOM 0 HB3 GLN A2063 2.650 -15.584 4.641 1.00 41.45 H new ATOM 0 HG2 GLN A2063 0.476 -14.435 6.341 1.00 53.33 H new ATOM 0 HG3 GLN A2063 0.457 -13.929 4.663 1.00 53.33 H new ATOM 0 HE21 GLN A2063 -0.525 -16.221 6.846 1.00 43.14 H new ATOM 0 HE22 GLN A2063 -0.918 -17.558 5.759 1.00 43.14 H new ATOM 834 N THR A2064 4.458 -16.554 5.707 1.00 63.22 N ATOM 835 CA THR A2064 5.267 -17.759 5.630 1.00 1.44 C ATOM 836 C THR A2064 6.465 -17.539 4.704 1.00 11.12 C ATOM 837 O THR A2064 6.750 -16.410 4.308 1.00 53.11 O ATOM 838 CB THR A2064 4.360 -18.910 5.190 1.00 43.51 C ATOM 839 OG1 THR A2064 3.409 -18.292 4.328 1.00 52.13 O ATOM 840 CG2 THR A2064 3.517 -19.466 6.339 1.00 43.32 C ATOM 0 H THR A2064 4.527 -15.942 4.894 1.00 63.22 H new ATOM 0 HA THR A2064 5.691 -18.014 6.601 1.00 1.44 H new ATOM 0 HB THR A2064 4.969 -19.710 4.768 1.00 43.51 H new ATOM 0 HG1 THR A2064 2.782 -18.967 3.995 1.00 52.13 H new ATOM 0 HG21 THR A2064 2.892 -20.280 5.971 1.00 43.32 H new ATOM 0 HG22 THR A2064 4.174 -19.839 7.125 1.00 43.32 H new ATOM 0 HG23 THR A2064 2.883 -18.675 6.741 1.00 43.32 H new ATOM 848 N LEU A2065 7.135 -18.638 4.388 1.00 44.12 N ATOM 849 CA LEU A2065 8.297 -18.579 3.516 1.00 64.41 C ATOM 850 C LEU A2065 7.845 -18.240 2.093 1.00 11.31 C ATOM 851 O LEU A2065 8.604 -17.662 1.318 1.00 51.24 O ATOM 852 CB LEU A2065 9.106 -19.875 3.612 1.00 54.14 C ATOM 853 CG LEU A2065 10.626 -19.720 3.581 1.00 22.42 C ATOM 854 CD1 LEU A2065 11.086 -19.080 2.270 1.00 0.03 C ATOM 855 CD2 LEU A2065 11.124 -18.945 4.802 1.00 54.04 C ATOM 0 H LEU A2065 6.896 -19.573 4.719 1.00 44.12 H new ATOM 0 HA LEU A2065 8.972 -17.785 3.835 1.00 64.41 H new ATOM 0 HB2 LEU A2065 8.831 -20.384 4.536 1.00 54.14 H new ATOM 0 HB3 LEU A2065 8.810 -20.526 2.790 1.00 54.14 H new ATOM 0 HG LEU A2065 11.071 -20.714 3.627 1.00 22.42 H new ATOM 0 HD11 LEU A2065 12.172 -18.981 2.274 1.00 0.03 H new ATOM 0 HD12 LEU A2065 10.782 -19.708 1.432 1.00 0.03 H new ATOM 0 HD13 LEU A2065 10.633 -18.094 2.168 1.00 0.03 H new ATOM 0 HD21 LEU A2065 12.209 -18.849 4.755 1.00 54.04 H new ATOM 0 HD22 LEU A2065 10.672 -17.953 4.812 1.00 54.04 H new ATOM 0 HD23 LEU A2065 10.846 -19.480 5.710 1.00 54.04 H new ATOM 867 N LYS A2066 6.609 -18.614 1.794 1.00 3.33 N ATOM 868 CA LYS A2066 6.048 -18.358 0.480 1.00 5.13 C ATOM 869 C LYS A2066 5.627 -16.890 0.387 1.00 0.14 C ATOM 870 O LYS A2066 6.150 -16.142 -0.439 1.00 31.12 O ATOM 871 CB LYS A2066 4.914 -19.341 0.180 1.00 60.25 C ATOM 872 CG LYS A2066 4.499 -19.268 -1.291 1.00 11.44 C ATOM 873 CD LYS A2066 3.117 -19.889 -1.502 1.00 40.03 C ATOM 874 CE LYS A2066 2.622 -19.652 -2.930 1.00 0.22 C ATOM 875 NZ LYS A2066 2.080 -20.903 -3.504 1.00 23.33 N ATOM 0 H LYS A2066 5.981 -19.092 2.440 1.00 3.33 H new ATOM 0 HA LYS A2066 6.798 -18.526 -0.293 1.00 5.13 H new ATOM 0 HB2 LYS A2066 5.233 -20.355 0.421 1.00 60.25 H new ATOM 0 HB3 LYS A2066 4.057 -19.117 0.815 1.00 60.25 H new ATOM 0 HG2 LYS A2066 4.488 -18.228 -1.618 1.00 11.44 H new ATOM 0 HG3 LYS A2066 5.233 -19.788 -1.906 1.00 11.44 H new ATOM 0 HD2 LYS A2066 3.161 -20.959 -1.301 1.00 40.03 H new ATOM 0 HD3 LYS A2066 2.410 -19.460 -0.792 1.00 40.03 H new ATOM 0 HE2 LYS A2066 1.852 -18.881 -2.931 1.00 0.22 H new ATOM 0 HE3 LYS A2066 3.441 -19.286 -3.549 1.00 0.22 H new ATOM 0 HZ1 LYS A2066 1.748 -20.725 -4.473 1.00 23.33 H new ATOM 0 HZ2 LYS A2066 2.825 -21.629 -3.521 1.00 23.33 H new ATOM 0 HZ3 LYS A2066 1.285 -21.236 -2.922 1.00 23.33 H new ATOM 888 N GLU A2067 4.689 -16.520 1.246 1.00 44.41 N ATOM 889 CA GLU A2067 4.193 -15.155 1.270 1.00 13.14 C ATOM 890 C GLU A2067 5.355 -14.172 1.423 1.00 41.11 C ATOM 891 O GLU A2067 5.218 -12.990 1.107 1.00 13.05 O ATOM 892 CB GLU A2067 3.164 -14.965 2.388 1.00 22.31 C ATOM 893 CG GLU A2067 2.044 -14.020 1.947 1.00 45.22 C ATOM 894 CD GLU A2067 1.156 -14.677 0.891 1.00 64.14 C ATOM 895 OE1 GLU A2067 0.387 -15.598 1.210 1.00 55.55 O ATOM 896 OE2 GLU A2067 1.282 -14.200 -0.302 1.00 0.43 O ATOM 0 H GLU A2067 4.259 -17.142 1.931 1.00 44.41 H new ATOM 0 HA GLU A2067 3.693 -14.953 0.323 1.00 13.14 H new ATOM 0 HB2 GLU A2067 2.742 -15.930 2.666 1.00 22.31 H new ATOM 0 HB3 GLU A2067 3.655 -14.564 3.275 1.00 22.31 H new ATOM 0 HG2 GLU A2067 1.441 -13.738 2.810 1.00 45.22 H new ATOM 0 HG3 GLU A2067 2.475 -13.103 1.545 1.00 45.22 H new ATOM 904 N THR A2068 6.472 -14.694 1.908 1.00 64.12 N ATOM 905 CA THR A2068 7.657 -13.877 2.106 1.00 4.01 C ATOM 906 C THR A2068 8.035 -13.163 0.807 1.00 61.40 C ATOM 907 O THR A2068 8.654 -12.100 0.836 1.00 60.53 O ATOM 908 CB THR A2068 8.767 -14.778 2.650 1.00 13.41 C ATOM 909 OG1 THR A2068 8.856 -14.426 4.028 1.00 71.11 O ATOM 910 CG2 THR A2068 10.143 -14.419 2.084 1.00 30.15 C ATOM 0 H THR A2068 6.581 -15.674 2.170 1.00 64.12 H new ATOM 0 HA THR A2068 7.475 -13.086 2.834 1.00 4.01 H new ATOM 0 HB THR A2068 8.538 -15.818 2.415 1.00 13.41 H new ATOM 0 HG1 THR A2068 8.208 -14.951 4.542 1.00 71.11 H new ATOM 0 HG21 THR A2068 10.894 -15.089 2.502 1.00 30.15 H new ATOM 0 HG22 THR A2068 10.128 -14.523 0.999 1.00 30.15 H new ATOM 0 HG23 THR A2068 10.387 -13.390 2.347 1.00 30.15 H new ATOM 918 N SER A2069 7.649 -13.776 -0.302 1.00 23.23 N ATOM 919 CA SER A2069 7.941 -13.213 -1.609 1.00 71.12 C ATOM 920 C SER A2069 7.046 -11.999 -1.869 1.00 35.13 C ATOM 921 O SER A2069 7.497 -10.996 -2.418 1.00 43.41 O ATOM 922 CB SER A2069 7.750 -14.256 -2.714 1.00 41.53 C ATOM 923 OG SER A2069 8.928 -14.418 -3.502 1.00 35.42 O ATOM 0 H SER A2069 7.136 -14.658 -0.322 1.00 23.23 H new ATOM 0 HA SER A2069 8.984 -12.897 -1.618 1.00 71.12 H new ATOM 0 HB2 SER A2069 7.478 -15.212 -2.267 1.00 41.53 H new ATOM 0 HB3 SER A2069 6.922 -13.957 -3.356 1.00 41.53 H new ATOM 0 HG SER A2069 8.768 -15.092 -4.195 1.00 35.42 H new ATOM 929 N PHE A2070 5.793 -12.130 -1.458 1.00 73.14 N ATOM 930 CA PHE A2070 4.830 -11.056 -1.638 1.00 31.21 C ATOM 931 C PHE A2070 5.240 -9.814 -0.844 1.00 12.41 C ATOM 932 O PHE A2070 5.288 -8.712 -1.388 1.00 62.21 O ATOM 933 CB PHE A2070 3.488 -11.564 -1.109 1.00 30.43 C ATOM 934 CG PHE A2070 2.321 -10.606 -1.350 1.00 14.55 C ATOM 935 CD1 PHE A2070 2.116 -9.558 -0.507 1.00 62.03 C ATOM 936 CD2 PHE A2070 1.486 -10.801 -2.407 1.00 43.44 C ATOM 937 CE1 PHE A2070 1.031 -8.668 -0.730 1.00 64.24 C ATOM 938 CE2 PHE A2070 0.404 -9.911 -2.631 1.00 14.25 C ATOM 939 CZ PHE A2070 0.198 -8.862 -1.788 1.00 41.12 C ATOM 0 H PHE A2070 5.422 -12.963 -1.001 1.00 73.14 H new ATOM 0 HA PHE A2070 4.774 -10.780 -2.691 1.00 31.21 H new ATOM 0 HB2 PHE A2070 3.262 -12.521 -1.580 1.00 30.43 H new ATOM 0 HB3 PHE A2070 3.578 -11.749 -0.039 1.00 30.43 H new ATOM 0 HD1 PHE A2070 2.778 -9.402 0.332 1.00 62.03 H new ATOM 0 HD2 PHE A2070 1.647 -11.634 -3.076 1.00 43.44 H new ATOM 0 HE1 PHE A2070 0.868 -7.837 -0.059 1.00 64.24 H new ATOM 0 HE2 PHE A2070 -0.257 -10.066 -3.471 1.00 14.25 H new ATOM 0 HZ PHE A2070 -0.626 -8.185 -1.959 1.00 41.12 H new ATOM 949 N ASN A2071 5.525 -10.034 0.431 1.00 71.23 N ATOM 950 CA ASN A2071 5.930 -8.945 1.305 1.00 2.04 C ATOM 951 C ASN A2071 7.267 -8.379 0.822 1.00 71.41 C ATOM 952 O ASN A2071 7.552 -7.199 1.022 1.00 41.22 O ATOM 953 CB ASN A2071 6.115 -9.433 2.743 1.00 4.11 C ATOM 954 CG ASN A2071 6.194 -8.257 3.716 1.00 0.02 C ATOM 955 OD1 ASN A2071 6.014 -7.105 3.355 1.00 13.45 O ATOM 956 ND2 ASN A2071 6.474 -8.608 4.969 1.00 73.32 N ATOM 0 H ASN A2071 5.484 -10.949 0.880 1.00 71.23 H new ATOM 0 HA ASN A2071 5.150 -8.184 1.280 1.00 2.04 H new ATOM 0 HB2 ASN A2071 5.285 -10.083 3.020 1.00 4.11 H new ATOM 0 HB3 ASN A2071 7.024 -10.030 2.814 1.00 4.11 H new ATOM 0 HD21 ASN A2071 6.549 -7.894 5.694 1.00 73.32 H new ATOM 0 HD22 ASN A2071 6.613 -9.591 5.204 1.00 73.32 H new ATOM 963 N GLN A2072 8.050 -9.246 0.196 1.00 73.04 N ATOM 964 CA GLN A2072 9.349 -8.847 -0.316 1.00 65.30 C ATOM 965 C GLN A2072 9.188 -8.080 -1.632 1.00 33.01 C ATOM 966 O GLN A2072 9.730 -6.987 -1.788 1.00 23.15 O ATOM 967 CB GLN A2072 10.263 -10.059 -0.496 1.00 63.10 C ATOM 968 CG GLN A2072 11.095 -10.311 0.763 1.00 60.43 C ATOM 969 CD GLN A2072 12.224 -11.306 0.484 1.00 34.15 C ATOM 970 OE1 GLN A2072 12.000 -12.478 0.224 1.00 3.51 O ATOM 971 NE2 GLN A2072 13.442 -10.779 0.555 1.00 34.45 N ATOM 0 H GLN A2072 7.809 -10.223 0.032 1.00 73.04 H new ATOM 0 HA GLN A2072 9.818 -8.186 0.413 1.00 65.30 H new ATOM 0 HB2 GLN A2072 9.663 -10.941 -0.722 1.00 63.10 H new ATOM 0 HB3 GLN A2072 10.925 -9.897 -1.347 1.00 63.10 H new ATOM 0 HG2 GLN A2072 11.514 -9.371 1.120 1.00 60.43 H new ATOM 0 HG3 GLN A2072 10.454 -10.696 1.556 1.00 60.43 H new ATOM 0 HE21 GLN A2072 13.558 -9.790 0.777 1.00 34.45 H new ATOM 0 HE22 GLN A2072 14.261 -11.363 0.387 1.00 34.45 H new ATOM 980 N ALA A2073 8.441 -8.684 -2.543 1.00 32.25 N ATOM 981 CA ALA A2073 8.202 -8.073 -3.840 1.00 1.31 C ATOM 982 C ALA A2073 7.922 -6.581 -3.651 1.00 54.45 C ATOM 983 O ALA A2073 8.550 -5.742 -4.295 1.00 53.23 O ATOM 984 CB ALA A2073 7.051 -8.798 -4.542 1.00 74.00 C ATOM 0 H ALA A2073 7.993 -9.590 -2.409 1.00 32.25 H new ATOM 0 HA ALA A2073 9.082 -8.166 -4.476 1.00 1.31 H new ATOM 0 HB1 ALA A2073 6.872 -8.340 -5.515 1.00 74.00 H new ATOM 0 HB2 ALA A2073 7.311 -9.848 -4.678 1.00 74.00 H new ATOM 0 HB3 ALA A2073 6.149 -8.723 -3.934 1.00 74.00 H new ATOM 990 N TYR A2074 6.980 -6.294 -2.765 1.00 71.15 N ATOM 991 CA TYR A2074 6.610 -4.918 -2.484 1.00 14.52 C ATOM 992 C TYR A2074 7.350 -4.391 -1.252 1.00 30.22 C ATOM 993 O TYR A2074 7.350 -3.190 -0.989 1.00 21.02 O ATOM 994 CB TYR A2074 5.108 -4.935 -2.192 1.00 3.35 C ATOM 995 CG TYR A2074 4.270 -5.608 -3.281 1.00 12.00 C ATOM 996 CD1 TYR A2074 4.384 -5.195 -4.592 1.00 22.30 C ATOM 997 CD2 TYR A2074 3.400 -6.629 -2.951 1.00 42.14 C ATOM 998 CE1 TYR A2074 3.596 -5.827 -5.618 1.00 3.15 C ATOM 999 CE2 TYR A2074 2.612 -7.261 -3.977 1.00 24.23 C ATOM 1000 CZ TYR A2074 2.749 -6.831 -5.260 1.00 14.54 C ATOM 1001 OH TYR A2074 2.004 -7.428 -6.228 1.00 54.32 O ATOM 0 H TYR A2074 6.461 -6.992 -2.232 1.00 71.15 H new ATOM 0 HA TYR A2074 6.865 -4.274 -3.325 1.00 14.52 H new ATOM 0 HB2 TYR A2074 4.938 -5.450 -1.247 1.00 3.35 H new ATOM 0 HB3 TYR A2074 4.762 -3.910 -2.063 1.00 3.35 H new ATOM 0 HD1 TYR A2074 5.065 -4.397 -4.849 1.00 22.30 H new ATOM 0 HD2 TYR A2074 3.311 -6.953 -1.925 1.00 42.14 H new ATOM 0 HE1 TYR A2074 3.675 -5.512 -6.648 1.00 3.15 H new ATOM 0 HE2 TYR A2074 1.927 -8.059 -3.733 1.00 24.23 H new ATOM 0 HH TYR A2074 1.446 -8.127 -5.827 1.00 54.32 H new ATOM 1011 N GLY A2075 7.964 -5.318 -0.529 1.00 35.42 N ATOM 1012 CA GLY A2075 8.705 -4.964 0.668 1.00 51.41 C ATOM 1013 C GLY A2075 9.496 -3.669 0.460 1.00 61.50 C ATOM 1014 O GLY A2075 9.434 -2.760 1.287 1.00 63.11 O ATOM 0 H GLY A2075 7.962 -6.314 -0.751 1.00 35.42 H new ATOM 0 HA2 GLY A2075 8.016 -4.844 1.504 1.00 51.41 H new ATOM 0 HA3 GLY A2075 9.387 -5.773 0.931 1.00 51.41 H new ATOM 1018 N ARG A2076 10.220 -3.628 -0.649 1.00 44.31 N ATOM 1019 CA ARG A2076 11.023 -2.462 -0.976 1.00 73.14 C ATOM 1020 C ARG A2076 10.142 -1.366 -1.580 1.00 73.02 C ATOM 1021 O ARG A2076 10.242 -0.201 -1.196 1.00 21.12 O ATOM 1022 CB ARG A2076 12.134 -2.815 -1.965 1.00 24.40 C ATOM 1023 CG ARG A2076 13.510 -2.488 -1.384 1.00 3.42 C ATOM 1024 CD ARG A2076 13.492 -1.143 -0.655 1.00 32.34 C ATOM 1025 NE ARG A2076 14.731 -0.390 -0.950 1.00 1.41 N ATOM 1026 CZ ARG A2076 15.880 -0.523 -0.254 1.00 13.41 C ATOM 1027 NH1 ARG A2076 15.958 -1.381 0.785 1.00 22.55 N ATOM 1028 NH2 ARG A2076 16.928 0.202 -0.604 1.00 21.53 N ATOM 0 H ARG A2076 10.267 -4.384 -1.332 1.00 44.31 H new ATOM 0 HA ARG A2076 11.477 -2.103 -0.052 1.00 73.14 H new ATOM 0 HB2 ARG A2076 12.082 -3.875 -2.212 1.00 24.40 H new ATOM 0 HB3 ARG A2076 11.987 -2.264 -2.894 1.00 24.40 H new ATOM 0 HG2 ARG A2076 13.814 -3.275 -0.694 1.00 3.42 H new ATOM 0 HG3 ARG A2076 14.250 -2.462 -2.184 1.00 3.42 H new ATOM 0 HD2 ARG A2076 12.622 -0.564 -0.965 1.00 32.34 H new ATOM 0 HD3 ARG A2076 13.402 -1.304 0.419 1.00 32.34 H new ATOM 0 HE ARG A2076 14.716 0.270 -1.727 1.00 1.41 H new ATOM 0 HH11 ARG A2076 15.144 -1.936 1.050 1.00 22.55 H new ATOM 0 HH12 ARG A2076 16.831 -1.475 1.305 1.00 22.55 H new ATOM 0 HH21 ARG A2076 16.861 0.850 -1.389 1.00 21.53 H new ATOM 0 HH22 ARG A2076 17.804 0.114 -0.089 1.00 21.53 H new ATOM 1040 N ASP A2077 9.299 -1.777 -2.517 1.00 61.23 N ATOM 1041 CA ASP A2077 8.402 -0.845 -3.178 1.00 21.53 C ATOM 1042 C ASP A2077 7.661 -0.021 -2.124 1.00 61.10 C ATOM 1043 O ASP A2077 7.763 1.204 -2.104 1.00 63.42 O ATOM 1044 CB ASP A2077 7.359 -1.586 -4.017 1.00 63.23 C ATOM 1045 CG ASP A2077 7.917 -2.324 -5.237 1.00 71.32 C ATOM 1046 OD1 ASP A2077 8.089 -3.552 -5.217 1.00 71.45 O ATOM 1047 OD2 ASP A2077 8.180 -1.575 -6.254 1.00 52.12 O ATOM 0 H ASP A2077 9.219 -2.743 -2.834 1.00 61.23 H new ATOM 0 HA ASP A2077 9.000 -0.205 -3.827 1.00 21.53 H new ATOM 0 HB2 ASP A2077 6.846 -2.306 -3.379 1.00 63.23 H new ATOM 0 HB3 ASP A2077 6.611 -0.869 -4.355 1.00 63.23 H new ATOM 1053 N LEU A2078 6.933 -0.727 -1.271 1.00 5.15 N ATOM 1054 CA LEU A2078 6.175 -0.077 -0.216 1.00 64.04 C ATOM 1055 C LEU A2078 7.111 0.816 0.602 1.00 24.01 C ATOM 1056 O LEU A2078 6.717 1.892 1.046 1.00 52.02 O ATOM 1057 CB LEU A2078 5.426 -1.114 0.623 1.00 2.43 C ATOM 1058 CG LEU A2078 4.242 -1.799 -0.059 1.00 31.34 C ATOM 1059 CD1 LEU A2078 3.595 -2.829 0.869 1.00 2.15 C ATOM 1060 CD2 LEU A2078 3.229 -0.770 -0.567 1.00 53.55 C ATOM 0 H LEU A2078 6.852 -1.744 -1.289 1.00 5.15 H new ATOM 0 HA LEU A2078 5.407 0.569 -0.641 1.00 64.04 H new ATOM 0 HB2 LEU A2078 6.135 -1.882 0.933 1.00 2.43 H new ATOM 0 HB3 LEU A2078 5.066 -0.627 1.529 1.00 2.43 H new ATOM 0 HG LEU A2078 4.616 -2.339 -0.929 1.00 31.34 H new ATOM 0 HD11 LEU A2078 2.755 -3.301 0.359 1.00 2.15 H new ATOM 0 HD12 LEU A2078 4.329 -3.588 1.139 1.00 2.15 H new ATOM 0 HD13 LEU A2078 3.238 -2.332 1.771 1.00 2.15 H new ATOM 0 HD21 LEU A2078 2.397 -1.285 -1.048 1.00 53.55 H new ATOM 0 HD22 LEU A2078 2.856 -0.182 0.272 1.00 53.55 H new ATOM 0 HD23 LEU A2078 3.712 -0.109 -1.287 1.00 53.55 H new ATOM 1072 N MET A2079 8.334 0.336 0.775 1.00 2.12 N ATOM 1073 CA MET A2079 9.329 1.076 1.531 1.00 11.21 C ATOM 1074 C MET A2079 9.605 2.437 0.888 1.00 34.40 C ATOM 1075 O MET A2079 9.718 3.445 1.585 1.00 4.44 O ATOM 1076 CB MET A2079 10.627 0.269 1.595 1.00 50.00 C ATOM 1077 CG MET A2079 11.464 0.672 2.810 1.00 63.12 C ATOM 1078 SD MET A2079 11.568 -0.689 3.960 1.00 74.24 S ATOM 1079 CE MET A2079 9.995 -0.516 4.786 1.00 64.30 C ATOM 0 H MET A2079 8.658 -0.557 0.404 1.00 2.12 H new ATOM 0 HA MET A2079 8.944 1.241 2.537 1.00 11.21 H new ATOM 0 HB2 MET A2079 10.396 -0.795 1.645 1.00 50.00 H new ATOM 0 HB3 MET A2079 11.203 0.427 0.683 1.00 50.00 H new ATOM 0 HG2 MET A2079 12.464 0.966 2.491 1.00 63.12 H new ATOM 0 HG3 MET A2079 11.017 1.538 3.298 1.00 63.12 H new ATOM 0 HE1 MET A2079 9.894 -1.294 5.543 1.00 64.30 H new ATOM 0 HE2 MET A2079 9.940 0.463 5.262 1.00 64.30 H new ATOM 0 HE3 MET A2079 9.189 -0.612 4.058 1.00 64.30 H new ATOM 1089 N GLU A2080 9.703 2.423 -0.433 1.00 63.12 N ATOM 1090 CA GLU A2080 9.963 3.643 -1.177 1.00 43.11 C ATOM 1091 C GLU A2080 8.808 4.631 -0.997 1.00 12.21 C ATOM 1092 O GLU A2080 9.016 5.764 -0.566 1.00 42.54 O ATOM 1093 CB GLU A2080 10.201 3.342 -2.658 1.00 31.32 C ATOM 1094 CG GLU A2080 10.773 4.564 -3.381 1.00 61.54 C ATOM 1095 CD GLU A2080 11.643 4.141 -4.566 1.00 61.14 C ATOM 1096 OE1 GLU A2080 11.202 4.236 -5.722 1.00 45.42 O ATOM 1097 OE2 GLU A2080 12.814 3.701 -4.255 1.00 34.31 O ATOM 0 H GLU A2080 9.607 1.586 -1.007 1.00 63.12 H new ATOM 0 HA GLU A2080 10.871 4.099 -0.782 1.00 43.11 H new ATOM 0 HB2 GLU A2080 10.889 2.502 -2.756 1.00 31.32 H new ATOM 0 HB3 GLU A2080 9.264 3.043 -3.127 1.00 31.32 H new ATOM 0 HG2 GLU A2080 9.959 5.198 -3.731 1.00 61.54 H new ATOM 0 HG3 GLU A2080 11.364 5.159 -2.685 1.00 61.54 H new ATOM 1105 N ALA A2081 7.614 4.165 -1.335 1.00 45.24 N ATOM 1106 CA ALA A2081 6.427 4.995 -1.218 1.00 31.43 C ATOM 1107 C ALA A2081 6.348 5.565 0.199 1.00 53.41 C ATOM 1108 O ALA A2081 6.053 6.746 0.380 1.00 43.51 O ATOM 1109 CB ALA A2081 5.190 4.168 -1.583 1.00 73.01 C ATOM 0 H ALA A2081 7.444 3.224 -1.690 1.00 45.24 H new ATOM 0 HA ALA A2081 6.475 5.836 -1.910 1.00 31.43 H new ATOM 0 HB1 ALA A2081 4.298 4.789 -1.496 1.00 73.01 H new ATOM 0 HB2 ALA A2081 5.283 3.808 -2.608 1.00 73.01 H new ATOM 0 HB3 ALA A2081 5.108 3.318 -0.906 1.00 73.01 H new ATOM 1115 N GLN A2082 6.618 4.702 1.167 1.00 63.13 N ATOM 1116 CA GLN A2082 6.582 5.107 2.561 1.00 14.00 C ATOM 1117 C GLN A2082 7.561 6.257 2.806 1.00 15.50 C ATOM 1118 O GLN A2082 7.239 7.213 3.511 1.00 21.34 O ATOM 1119 CB GLN A2082 6.884 3.924 3.485 1.00 75.02 C ATOM 1120 CG GLN A2082 6.695 4.311 4.951 1.00 55.31 C ATOM 1121 CD GLN A2082 5.768 3.324 5.664 1.00 33.31 C ATOM 1122 OE1 GLN A2082 4.598 3.189 5.344 1.00 41.01 O ATOM 1123 NE2 GLN A2082 6.354 2.644 6.645 1.00 23.23 N ATOM 0 H GLN A2082 6.863 3.724 1.013 1.00 63.13 H new ATOM 0 HA GLN A2082 5.576 5.457 2.790 1.00 14.00 H new ATOM 0 HB2 GLN A2082 6.228 3.089 3.238 1.00 75.02 H new ATOM 0 HB3 GLN A2082 7.907 3.584 3.324 1.00 75.02 H new ATOM 0 HG2 GLN A2082 7.663 4.334 5.452 1.00 55.31 H new ATOM 0 HG3 GLN A2082 6.279 5.317 5.015 1.00 55.31 H new ATOM 0 HE21 GLN A2082 7.338 2.806 6.861 1.00 23.23 H new ATOM 0 HE22 GLN A2082 5.820 1.960 7.182 1.00 23.23 H new ATOM 1132 N GLU A2083 8.737 6.128 2.209 1.00 22.22 N ATOM 1133 CA GLU A2083 9.766 7.143 2.354 1.00 54.41 C ATOM 1134 C GLU A2083 9.246 8.497 1.864 1.00 15.13 C ATOM 1135 O GLU A2083 9.532 9.530 2.469 1.00 63.24 O ATOM 1136 CB GLU A2083 11.040 6.743 1.609 1.00 51.21 C ATOM 1137 CG GLU A2083 11.391 7.771 0.531 1.00 53.44 C ATOM 1138 CD GLU A2083 12.724 7.432 -0.136 1.00 44.15 C ATOM 1139 OE1 GLU A2083 13.647 6.941 0.533 1.00 1.20 O ATOM 1140 OE2 GLU A2083 12.786 7.696 -1.398 1.00 13.42 O ATOM 0 H GLU A2083 9.000 5.335 1.624 1.00 22.22 H new ATOM 0 HA GLU A2083 10.016 7.231 3.411 1.00 54.41 H new ATOM 0 HB2 GLU A2083 11.866 6.655 2.315 1.00 51.21 H new ATOM 0 HB3 GLU A2083 10.905 5.763 1.152 1.00 51.21 H new ATOM 0 HG2 GLU A2083 10.601 7.800 -0.220 1.00 53.44 H new ATOM 0 HG3 GLU A2083 11.445 8.765 0.975 1.00 53.44 H new ATOM 1148 N TRP A2084 8.493 8.448 0.776 1.00 24.40 N ATOM 1149 CA TRP A2084 7.931 9.657 0.199 1.00 63.54 C ATOM 1150 C TRP A2084 6.865 10.189 1.159 1.00 64.53 C ATOM 1151 O TRP A2084 6.666 11.398 1.262 1.00 54.24 O ATOM 1152 CB TRP A2084 7.390 9.394 -1.209 1.00 2.15 C ATOM 1153 CG TRP A2084 8.469 9.039 -2.233 1.00 61.15 C ATOM 1154 CD1 TRP A2084 8.833 7.822 -2.663 1.00 11.24 C ATOM 1155 CD2 TRP A2084 9.317 9.966 -2.946 1.00 55.12 C ATOM 1156 NE1 TRP A2084 9.846 7.897 -3.595 1.00 24.41 N ATOM 1157 CE2 TRP A2084 10.150 9.243 -3.773 1.00 23.15 C ATOM 1158 CE3 TRP A2084 9.375 11.369 -2.894 1.00 3.13 C ATOM 1159 CZ2 TRP A2084 11.105 9.834 -4.610 1.00 72.44 C ATOM 1160 CZ3 TRP A2084 10.334 11.946 -3.735 1.00 74.24 C ATOM 1161 CH2 TRP A2084 11.179 11.232 -4.574 1.00 44.01 C ATOM 0 H TRP A2084 8.259 7.589 0.278 1.00 24.40 H new ATOM 0 HA TRP A2084 8.701 10.419 0.077 1.00 63.54 H new ATOM 0 HB2 TRP A2084 6.666 8.581 -1.163 1.00 2.15 H new ATOM 0 HB3 TRP A2084 6.854 10.279 -1.553 1.00 2.15 H new ATOM 0 HD1 TRP A2084 8.388 6.899 -2.322 1.00 11.24 H new ATOM 0 HE1 TRP A2084 10.291 7.110 -4.067 1.00 24.41 H new ATOM 0 HE3 TRP A2084 8.731 11.956 -2.256 1.00 3.13 H new ATOM 0 HZ2 TRP A2084 11.748 9.245 -5.247 1.00 72.44 H new ATOM 0 HZ3 TRP A2084 10.423 13.022 -3.731 1.00 74.24 H new ATOM 0 HH2 TRP A2084 11.891 11.753 -5.197 1.00 44.01 H new ATOM 1172 N CYS A2085 6.208 9.259 1.836 1.00 51.24 N ATOM 1173 CA CYS A2085 5.168 9.618 2.785 1.00 41.14 C ATOM 1174 C CYS A2085 5.790 10.498 3.870 1.00 42.45 C ATOM 1175 O CYS A2085 5.353 11.629 4.083 1.00 24.24 O ATOM 1176 CB CYS A2085 4.489 8.382 3.374 1.00 32.55 C ATOM 1177 SG CYS A2085 3.886 7.297 2.029 1.00 54.02 S ATOM 0 H CYS A2085 6.376 8.257 1.746 1.00 51.24 H new ATOM 0 HA CYS A2085 4.383 10.174 2.273 1.00 41.14 H new ATOM 0 HB2 CYS A2085 5.191 7.837 4.005 1.00 32.55 H new ATOM 0 HB3 CYS A2085 3.657 8.683 4.010 1.00 32.55 H new ATOM 0 HG CYS A2085 4.835 7.116 1.159 1.00 54.02 H new ATOM 1183 N ARG A2086 6.802 9.949 4.525 1.00 43.45 N ATOM 1184 CA ARG A2086 7.489 10.672 5.582 1.00 3.25 C ATOM 1185 C ARG A2086 8.055 11.988 5.045 1.00 12.42 C ATOM 1186 O ARG A2086 8.042 13.002 5.741 1.00 4.41 O ATOM 1187 CB ARG A2086 8.629 9.837 6.169 1.00 3.12 C ATOM 1188 CG ARG A2086 8.091 8.576 6.848 1.00 40.22 C ATOM 1189 CD ARG A2086 8.750 7.319 6.276 1.00 43.41 C ATOM 1190 NE ARG A2086 10.184 7.287 6.643 1.00 30.11 N ATOM 1191 CZ ARG A2086 10.964 6.191 6.551 1.00 21.13 C ATOM 1192 NH1 ARG A2086 10.455 5.023 6.102 1.00 44.45 N ATOM 1193 NH2 ARG A2086 12.233 6.275 6.906 1.00 40.02 N ATOM 0 H ARG A2086 7.163 9.012 4.344 1.00 43.45 H new ATOM 0 HA ARG A2086 6.763 10.879 6.368 1.00 3.25 H new ATOM 0 HB2 ARG A2086 9.326 9.559 5.378 1.00 3.12 H new ATOM 0 HB3 ARG A2086 9.187 10.433 6.891 1.00 3.12 H new ATOM 0 HG2 ARG A2086 8.275 8.630 7.921 1.00 40.22 H new ATOM 0 HG3 ARG A2086 7.011 8.518 6.712 1.00 40.22 H new ATOM 0 HD2 ARG A2086 8.249 6.430 6.658 1.00 43.41 H new ATOM 0 HD3 ARG A2086 8.643 7.304 5.191 1.00 43.41 H new ATOM 0 HE ARG A2086 10.609 8.148 6.987 1.00 30.11 H new ATOM 0 HH11 ARG A2086 9.474 4.966 5.829 1.00 44.45 H new ATOM 0 HH12 ARG A2086 11.052 4.199 6.035 1.00 44.45 H new ATOM 0 HH21 ARG A2086 12.610 7.160 7.244 1.00 40.02 H new ATOM 0 HH22 ARG A2086 12.836 5.455 6.842 1.00 40.02 H new ATOM 1205 N LYS A2087 8.538 11.929 3.813 1.00 72.43 N ATOM 1206 CA LYS A2087 9.107 13.105 3.174 1.00 24.12 C ATOM 1207 C LYS A2087 8.023 14.174 3.027 1.00 14.22 C ATOM 1208 O LYS A2087 8.309 15.367 3.120 1.00 61.45 O ATOM 1209 CB LYS A2087 9.779 12.724 1.854 1.00 73.40 C ATOM 1210 CG LYS A2087 10.196 13.970 1.073 1.00 73.13 C ATOM 1211 CD LYS A2087 9.410 14.086 -0.236 1.00 3.35 C ATOM 1212 CE LYS A2087 8.926 15.521 -0.461 1.00 2.24 C ATOM 1213 NZ LYS A2087 9.796 16.214 -1.437 1.00 32.12 N ATOM 0 H LYS A2087 8.547 11.086 3.240 1.00 72.43 H new ATOM 0 HA LYS A2087 9.895 13.533 3.794 1.00 24.12 H new ATOM 0 HB2 LYS A2087 10.654 12.105 2.052 1.00 73.40 H new ATOM 0 HB3 LYS A2087 9.095 12.125 1.253 1.00 73.40 H new ATOM 0 HG2 LYS A2087 10.028 14.858 1.682 1.00 73.13 H new ATOM 0 HG3 LYS A2087 11.264 13.928 0.858 1.00 73.13 H new ATOM 0 HD2 LYS A2087 10.039 13.776 -1.070 1.00 3.35 H new ATOM 0 HD3 LYS A2087 8.555 13.410 -0.212 1.00 3.35 H new ATOM 0 HE2 LYS A2087 7.898 15.512 -0.823 1.00 2.24 H new ATOM 0 HE3 LYS A2087 8.926 16.064 0.484 1.00 2.24 H new ATOM 0 HZ1 LYS A2087 9.454 17.186 -1.578 1.00 32.12 H new ATOM 0 HZ2 LYS A2087 10.771 16.239 -1.076 1.00 32.12 H new ATOM 0 HZ3 LYS A2087 9.775 15.705 -2.343 1.00 32.12 H new ATOM 1226 N TYR A2088 6.802 13.709 2.803 1.00 2.12 N ATOM 1227 CA TYR A2088 5.676 14.613 2.642 1.00 11.25 C ATOM 1228 C TYR A2088 5.195 15.133 3.998 1.00 61.34 C ATOM 1229 O TYR A2088 4.975 16.331 4.165 1.00 34.31 O ATOM 1230 CB TYR A2088 4.560 13.785 2.002 1.00 15.41 C ATOM 1231 CG TYR A2088 3.156 14.342 2.240 1.00 12.11 C ATOM 1232 CD1 TYR A2088 2.454 13.984 3.375 1.00 61.13 C ATOM 1233 CD2 TYR A2088 2.590 15.203 1.322 1.00 73.40 C ATOM 1234 CE1 TYR A2088 1.133 14.509 3.600 1.00 0.52 C ATOM 1235 CE2 TYR A2088 1.269 15.727 1.548 1.00 54.15 C ATOM 1236 CZ TYR A2088 0.605 15.355 2.675 1.00 11.32 C ATOM 1237 OH TYR A2088 -0.644 15.851 2.887 1.00 22.20 O ATOM 0 H TYR A2088 6.568 12.719 2.729 1.00 2.12 H new ATOM 0 HA TYR A2088 5.957 15.475 2.036 1.00 11.25 H new ATOM 0 HB2 TYR A2088 4.738 13.723 0.928 1.00 15.41 H new ATOM 0 HB3 TYR A2088 4.607 12.768 2.392 1.00 15.41 H new ATOM 0 HD1 TYR A2088 2.897 13.310 4.093 1.00 61.13 H new ATOM 0 HD2 TYR A2088 3.138 15.483 0.435 1.00 73.40 H new ATOM 0 HE1 TYR A2088 0.574 14.237 4.483 1.00 0.52 H new ATOM 0 HE2 TYR A2088 0.814 16.402 0.838 1.00 54.15 H new ATOM 0 HH TYR A2088 -0.892 16.442 2.145 1.00 22.20 H new ATOM 1247 N MET A2089 5.044 14.206 4.934 1.00 61.50 N ATOM 1248 CA MET A2089 4.591 14.556 6.269 1.00 41.13 C ATOM 1249 C MET A2089 5.531 15.575 6.916 1.00 73.31 C ATOM 1250 O MET A2089 5.099 16.405 7.715 1.00 22.15 O ATOM 1251 CB MET A2089 4.531 13.296 7.135 1.00 75.13 C ATOM 1252 CG MET A2089 3.356 12.407 6.725 1.00 32.33 C ATOM 1253 SD MET A2089 2.820 11.425 8.117 1.00 71.20 S ATOM 1254 CE MET A2089 1.053 11.648 7.992 1.00 4.32 C ATOM 0 H MET A2089 5.228 13.213 4.793 1.00 61.50 H new ATOM 0 HA MET A2089 3.599 15.001 6.191 1.00 41.13 H new ATOM 0 HB2 MET A2089 5.464 12.740 7.040 1.00 75.13 H new ATOM 0 HB3 MET A2089 4.432 13.575 8.184 1.00 75.13 H new ATOM 0 HG2 MET A2089 2.532 13.023 6.365 1.00 32.33 H new ATOM 0 HG3 MET A2089 3.651 11.756 5.902 1.00 32.33 H new ATOM 0 HE1 MET A2089 0.682 12.128 8.898 1.00 4.32 H new ATOM 0 HE2 MET A2089 0.825 12.275 7.130 1.00 4.32 H new ATOM 0 HE3 MET A2089 0.571 10.678 7.872 1.00 4.32 H new ATOM 1264 N LYS A2090 6.800 15.480 6.547 1.00 72.45 N ATOM 1265 CA LYS A2090 7.804 16.384 7.081 1.00 2.34 C ATOM 1266 C LYS A2090 7.944 17.592 6.152 1.00 52.23 C ATOM 1267 O LYS A2090 7.791 18.733 6.585 1.00 75.42 O ATOM 1268 CB LYS A2090 9.119 15.641 7.324 1.00 40.02 C ATOM 1269 CG LYS A2090 9.702 15.991 8.695 1.00 11.10 C ATOM 1270 CD LYS A2090 10.658 17.182 8.597 1.00 33.40 C ATOM 1271 CE LYS A2090 10.101 18.393 9.351 1.00 61.45 C ATOM 1272 NZ LYS A2090 11.107 19.477 9.403 1.00 22.23 N ATOM 0 H LYS A2090 7.156 14.791 5.885 1.00 72.45 H new ATOM 0 HA LYS A2090 7.494 16.764 8.054 1.00 2.34 H new ATOM 0 HB2 LYS A2090 8.950 14.566 7.260 1.00 40.02 H new ATOM 0 HB3 LYS A2090 9.836 15.898 6.544 1.00 40.02 H new ATOM 0 HG2 LYS A2090 8.894 16.225 9.389 1.00 11.10 H new ATOM 0 HG3 LYS A2090 10.231 15.128 9.100 1.00 11.10 H new ATOM 0 HD2 LYS A2090 11.630 16.908 9.008 1.00 33.40 H new ATOM 0 HD3 LYS A2090 10.816 17.441 7.550 1.00 33.40 H new ATOM 0 HE2 LYS A2090 9.197 18.751 8.859 1.00 61.45 H new ATOM 0 HE3 LYS A2090 9.819 18.101 10.363 1.00 61.45 H new ATOM 0 HZ1 LYS A2090 10.714 20.291 9.917 1.00 22.23 H new ATOM 0 HZ2 LYS A2090 11.959 19.137 9.892 1.00 22.23 H new ATOM 0 HZ3 LYS A2090 11.356 19.766 8.436 1.00 22.23 H new ATOM 1285 N SER A2091 8.232 17.299 4.893 1.00 64.35 N ATOM 1286 CA SER A2091 8.395 18.347 3.900 1.00 72.11 C ATOM 1287 C SER A2091 7.037 18.972 3.572 1.00 34.42 C ATOM 1288 O SER A2091 6.812 20.152 3.837 1.00 32.34 O ATOM 1289 CB SER A2091 9.050 17.804 2.628 1.00 14.50 C ATOM 1290 OG SER A2091 9.667 18.836 1.863 1.00 75.01 O ATOM 0 H SER A2091 8.357 16.351 4.538 1.00 64.35 H new ATOM 0 HA SER A2091 9.050 19.113 4.315 1.00 72.11 H new ATOM 0 HB2 SER A2091 9.796 17.056 2.895 1.00 14.50 H new ATOM 0 HB3 SER A2091 8.298 17.301 2.019 1.00 14.50 H new ATOM 0 HG SER A2091 10.075 18.449 1.060 1.00 75.01 H new ATOM 1296 N GLY A2092 6.168 18.152 2.998 1.00 12.05 N ATOM 1297 CA GLY A2092 4.837 18.609 2.631 1.00 52.42 C ATOM 1298 C GLY A2092 4.784 19.012 1.156 1.00 43.41 C ATOM 1299 O GLY A2092 5.036 20.166 0.815 1.00 2.42 O ATOM 0 H GLY A2092 6.359 17.175 2.778 1.00 12.05 H new ATOM 0 HA2 GLY A2092 4.111 17.818 2.822 1.00 52.42 H new ATOM 0 HA3 GLY A2092 4.555 19.458 3.254 1.00 52.42 H new ATOM 1303 N ASN A2093 4.455 18.037 0.320 1.00 12.00 N ATOM 1304 CA ASN A2093 4.364 18.275 -1.108 1.00 3.10 C ATOM 1305 C ASN A2093 3.481 17.200 -1.745 1.00 3.20 C ATOM 1306 O ASN A2093 3.744 16.007 -1.596 1.00 72.53 O ATOM 1307 CB ASN A2093 5.744 18.205 -1.767 1.00 35.42 C ATOM 1308 CG ASN A2093 6.220 19.596 -2.191 1.00 23.13 C ATOM 1309 OD1 ASN A2093 6.695 20.388 -1.393 1.00 24.01 O ATOM 1310 ND2 ASN A2093 6.067 19.848 -3.488 1.00 1.23 N ATOM 0 H ASN A2093 4.248 17.080 0.607 1.00 12.00 H new ATOM 0 HA ASN A2093 3.942 19.269 -1.258 1.00 3.10 H new ATOM 0 HB2 ASN A2093 6.461 17.767 -1.072 1.00 35.42 H new ATOM 0 HB3 ASN A2093 5.703 17.550 -2.637 1.00 35.42 H new ATOM 0 HD21 ASN A2093 6.355 20.749 -3.870 1.00 1.23 H new ATOM 0 HD22 ASN A2093 5.662 19.140 -4.101 1.00 1.23 H new ATOM 1317 N VAL A2094 2.453 17.660 -2.443 1.00 1.21 N ATOM 1318 CA VAL A2094 1.530 16.753 -3.103 1.00 60.10 C ATOM 1319 C VAL A2094 2.278 15.968 -4.183 1.00 41.22 C ATOM 1320 O VAL A2094 2.054 14.771 -4.352 1.00 50.31 O ATOM 1321 CB VAL A2094 0.334 17.531 -3.651 1.00 71.42 C ATOM 1322 CG1 VAL A2094 0.690 18.234 -4.963 1.00 61.32 C ATOM 1323 CG2 VAL A2094 -0.880 16.617 -3.832 1.00 1.42 C ATOM 0 H VAL A2094 2.239 18.650 -2.566 1.00 1.21 H new ATOM 0 HA VAL A2094 1.132 16.029 -2.392 1.00 60.10 H new ATOM 0 HB VAL A2094 0.071 18.297 -2.921 1.00 71.42 H new ATOM 0 HG11 VAL A2094 -0.179 18.780 -5.331 1.00 61.32 H new ATOM 0 HG12 VAL A2094 1.510 18.931 -4.791 1.00 61.32 H new ATOM 0 HG13 VAL A2094 0.992 17.493 -5.703 1.00 61.32 H new ATOM 0 HG21 VAL A2094 -1.716 17.196 -4.223 1.00 1.42 H new ATOM 0 HG22 VAL A2094 -0.633 15.818 -4.532 1.00 1.42 H new ATOM 0 HG23 VAL A2094 -1.156 16.184 -2.870 1.00 1.42 H new ATOM 1333 N LYS A2095 3.150 16.676 -4.886 1.00 3.23 N ATOM 1334 CA LYS A2095 3.932 16.060 -5.945 1.00 74.22 C ATOM 1335 C LYS A2095 4.569 14.771 -5.421 1.00 31.14 C ATOM 1336 O LYS A2095 4.430 13.713 -6.033 1.00 53.21 O ATOM 1337 CB LYS A2095 4.945 17.058 -6.512 1.00 65.14 C ATOM 1338 CG LYS A2095 5.983 16.350 -7.384 1.00 1.55 C ATOM 1339 CD LYS A2095 5.358 15.859 -8.693 1.00 44.32 C ATOM 1340 CE LYS A2095 5.978 14.531 -9.132 1.00 73.24 C ATOM 1341 NZ LYS A2095 6.416 14.607 -10.544 1.00 23.41 N ATOM 0 H LYS A2095 3.332 17.669 -4.743 1.00 3.23 H new ATOM 0 HA LYS A2095 3.289 15.782 -6.780 1.00 74.22 H new ATOM 0 HB2 LYS A2095 4.425 17.814 -7.100 1.00 65.14 H new ATOM 0 HB3 LYS A2095 5.445 17.578 -5.695 1.00 65.14 H new ATOM 0 HG2 LYS A2095 6.805 17.032 -7.603 1.00 1.55 H new ATOM 0 HG3 LYS A2095 6.405 15.506 -6.839 1.00 1.55 H new ATOM 0 HD2 LYS A2095 4.283 15.737 -8.564 1.00 44.32 H new ATOM 0 HD3 LYS A2095 5.503 16.607 -9.472 1.00 44.32 H new ATOM 0 HE2 LYS A2095 6.828 14.291 -8.493 1.00 73.24 H new ATOM 0 HE3 LYS A2095 5.252 13.727 -9.013 1.00 73.24 H new ATOM 0 HZ1 LYS A2095 6.835 13.698 -10.827 1.00 23.41 H new ATOM 0 HZ2 LYS A2095 5.597 14.815 -11.151 1.00 23.41 H new ATOM 0 HZ3 LYS A2095 7.124 15.361 -10.648 1.00 23.41 H new ATOM 1354 N ASP A2096 5.250 14.902 -4.291 1.00 64.42 N ATOM 1355 CA ASP A2096 5.907 13.760 -3.678 1.00 32.53 C ATOM 1356 C ASP A2096 4.848 12.775 -3.180 1.00 65.44 C ATOM 1357 O ASP A2096 5.045 11.562 -3.244 1.00 14.02 O ATOM 1358 CB ASP A2096 6.752 14.191 -2.478 1.00 45.31 C ATOM 1359 CG ASP A2096 6.097 13.973 -1.113 1.00 41.32 C ATOM 1360 OD1 ASP A2096 5.929 12.830 -0.661 1.00 74.22 O ATOM 1361 OD2 ASP A2096 5.749 15.051 -0.497 1.00 23.41 O ATOM 0 H ASP A2096 5.361 15.781 -3.785 1.00 64.42 H new ATOM 0 HA ASP A2096 6.551 13.299 -4.427 1.00 32.53 H new ATOM 0 HB2 ASP A2096 7.695 13.645 -2.503 1.00 45.31 H new ATOM 0 HB3 ASP A2096 6.993 15.249 -2.584 1.00 45.31 H new ATOM 1367 N LEU A2097 3.748 13.331 -2.696 1.00 14.02 N ATOM 1368 CA LEU A2097 2.657 12.517 -2.189 1.00 12.42 C ATOM 1369 C LEU A2097 2.103 11.650 -3.321 1.00 72.22 C ATOM 1370 O LEU A2097 1.874 10.456 -3.138 1.00 61.11 O ATOM 1371 CB LEU A2097 1.602 13.396 -1.514 1.00 15.24 C ATOM 1372 CG LEU A2097 0.638 12.678 -0.566 1.00 62.35 C ATOM 1373 CD1 LEU A2097 -0.427 13.639 -0.036 1.00 55.11 C ATOM 1374 CD2 LEU A2097 0.018 11.452 -1.241 1.00 31.41 C ATOM 0 H LEU A2097 3.589 14.337 -2.644 1.00 14.02 H new ATOM 0 HA LEU A2097 3.016 11.838 -1.415 1.00 12.42 H new ATOM 0 HB2 LEU A2097 2.114 14.179 -0.955 1.00 15.24 H new ATOM 0 HB3 LEU A2097 1.017 13.889 -2.291 1.00 15.24 H new ATOM 0 HG LEU A2097 1.206 12.321 0.293 1.00 62.35 H new ATOM 0 HD11 LEU A2097 -1.099 13.104 0.635 1.00 55.11 H new ATOM 0 HD12 LEU A2097 0.055 14.453 0.506 1.00 55.11 H new ATOM 0 HD13 LEU A2097 -0.997 14.047 -0.871 1.00 55.11 H new ATOM 0 HD21 LEU A2097 -0.663 10.960 -0.547 1.00 31.41 H new ATOM 0 HD22 LEU A2097 -0.532 11.765 -2.128 1.00 31.41 H new ATOM 0 HD23 LEU A2097 0.807 10.757 -1.529 1.00 31.41 H new ATOM 1386 N THR A2098 1.903 12.286 -4.466 1.00 34.21 N ATOM 1387 CA THR A2098 1.380 11.589 -5.628 1.00 22.54 C ATOM 1388 C THR A2098 2.323 10.456 -6.040 1.00 51.05 C ATOM 1389 O THR A2098 1.883 9.336 -6.287 1.00 45.12 O ATOM 1390 CB THR A2098 1.147 12.619 -6.734 1.00 52.25 C ATOM 1391 OG1 THR A2098 -0.024 13.316 -6.320 1.00 2.00 O ATOM 1392 CG2 THR A2098 0.748 11.973 -8.062 1.00 71.05 C ATOM 0 H THR A2098 2.094 13.277 -4.614 1.00 34.21 H new ATOM 0 HA THR A2098 0.426 11.111 -5.405 1.00 22.54 H new ATOM 0 HB THR A2098 2.052 13.209 -6.876 1.00 52.25 H new ATOM 0 HG1 THR A2098 0.209 13.958 -5.617 1.00 2.00 H new ATOM 0 HG21 THR A2098 0.595 12.749 -8.812 1.00 71.05 H new ATOM 0 HG22 THR A2098 1.540 11.300 -8.392 1.00 71.05 H new ATOM 0 HG23 THR A2098 -0.175 11.409 -7.929 1.00 71.05 H new ATOM 1400 N GLN A2099 3.603 10.790 -6.102 1.00 4.52 N ATOM 1401 CA GLN A2099 4.614 9.817 -6.478 1.00 24.43 C ATOM 1402 C GLN A2099 4.515 8.577 -5.588 1.00 31.10 C ATOM 1403 O GLN A2099 4.472 7.452 -6.087 1.00 22.24 O ATOM 1404 CB GLN A2099 6.016 10.426 -6.414 1.00 43.32 C ATOM 1405 CG GLN A2099 6.711 10.349 -7.774 1.00 24.24 C ATOM 1406 CD GLN A2099 7.743 9.217 -7.799 1.00 34.22 C ATOM 1407 OE1 GLN A2099 8.761 9.256 -7.127 1.00 72.22 O ATOM 1408 NE2 GLN A2099 7.422 8.212 -8.608 1.00 43.50 N ATOM 0 H GLN A2099 3.964 11.722 -5.898 1.00 4.52 H new ATOM 0 HA GLN A2099 4.432 9.516 -7.510 1.00 24.43 H new ATOM 0 HB2 GLN A2099 5.950 11.466 -6.094 1.00 43.32 H new ATOM 0 HB3 GLN A2099 6.611 9.900 -5.668 1.00 43.32 H new ATOM 0 HG2 GLN A2099 5.970 10.188 -8.557 1.00 24.24 H new ATOM 0 HG3 GLN A2099 7.201 11.298 -7.990 1.00 24.24 H new ATOM 0 HE21 GLN A2099 6.553 8.244 -9.142 1.00 43.50 H new ATOM 0 HE22 GLN A2099 8.044 7.408 -8.695 1.00 43.50 H new ATOM 1417 N ALA A2100 4.480 8.822 -4.287 1.00 52.54 N ATOM 1418 CA ALA A2100 4.388 7.739 -3.324 1.00 15.03 C ATOM 1419 C ALA A2100 3.146 6.897 -3.628 1.00 31.15 C ATOM 1420 O ALA A2100 3.216 5.669 -3.650 1.00 51.32 O ATOM 1421 CB ALA A2100 4.366 8.318 -1.906 1.00 23.13 C ATOM 0 H ALA A2100 4.514 9.755 -3.877 1.00 52.54 H new ATOM 0 HA ALA A2100 5.257 7.085 -3.397 1.00 15.03 H new ATOM 0 HB1 ALA A2100 4.297 7.506 -1.182 1.00 23.13 H new ATOM 0 HB2 ALA A2100 5.281 8.884 -1.730 1.00 23.13 H new ATOM 0 HB3 ALA A2100 3.505 8.977 -1.795 1.00 23.13 H new ATOM 1427 N TRP A2101 2.040 7.591 -3.855 1.00 21.23 N ATOM 1428 CA TRP A2101 0.787 6.922 -4.158 1.00 32.02 C ATOM 1429 C TRP A2101 0.980 6.109 -5.440 1.00 53.33 C ATOM 1430 O TRP A2101 0.415 5.027 -5.585 1.00 12.41 O ATOM 1431 CB TRP A2101 -0.362 7.927 -4.255 1.00 52.11 C ATOM 1432 CG TRP A2101 -1.511 7.656 -3.282 1.00 73.25 C ATOM 1433 CD1 TRP A2101 -1.847 8.350 -2.185 1.00 42.24 C ATOM 1434 CD2 TRP A2101 -2.471 6.582 -3.365 1.00 71.11 C ATOM 1435 NE1 TRP A2101 -2.946 7.802 -1.558 1.00 70.25 N ATOM 1436 CE2 TRP A2101 -3.340 6.694 -2.298 1.00 42.22 C ATOM 1437 CE3 TRP A2101 -2.603 5.550 -4.310 1.00 40.24 C ATOM 1438 CZ2 TRP A2101 -4.397 5.806 -2.073 1.00 60.55 C ATOM 1439 CZ3 TRP A2101 -3.666 4.671 -4.073 1.00 13.14 C ATOM 1440 CH2 TRP A2101 -4.548 4.769 -3.003 1.00 1.51 C ATOM 0 H TRP A2101 1.986 8.609 -3.835 1.00 21.23 H new ATOM 0 HA TRP A2101 0.511 6.241 -3.353 1.00 32.02 H new ATOM 0 HB2 TRP A2101 0.028 8.928 -4.070 1.00 52.11 H new ATOM 0 HB3 TRP A2101 -0.752 7.920 -5.273 1.00 52.11 H new ATOM 0 HD1 TRP A2101 -1.323 9.228 -1.836 1.00 42.24 H new ATOM 0 HE1 TRP A2101 -3.389 8.147 -0.706 1.00 70.25 H new ATOM 0 HE3 TRP A2101 -1.936 5.444 -5.153 1.00 40.24 H new ATOM 0 HZ2 TRP A2101 -5.061 5.914 -1.228 1.00 60.55 H new ATOM 0 HZ3 TRP A2101 -3.811 3.859 -4.771 1.00 13.14 H new ATOM 0 HH2 TRP A2101 -5.345 4.050 -2.889 1.00 1.51 H new ATOM 1451 N ASP A2102 1.782 6.664 -6.337 1.00 61.25 N ATOM 1452 CA ASP A2102 2.056 6.007 -7.602 1.00 45.12 C ATOM 1453 C ASP A2102 2.653 4.623 -7.333 1.00 44.13 C ATOM 1454 O ASP A2102 2.203 3.628 -7.900 1.00 42.11 O ATOM 1455 CB ASP A2102 3.068 6.803 -8.431 1.00 14.34 C ATOM 1456 CG ASP A2102 2.667 7.039 -9.887 1.00 54.45 C ATOM 1457 OD1 ASP A2102 1.520 7.408 -10.183 1.00 1.51 O ATOM 1458 OD2 ASP A2102 3.602 6.827 -10.752 1.00 13.54 O ATOM 0 H ASP A2102 2.250 7.561 -6.212 1.00 61.25 H new ATOM 0 HA ASP A2102 1.118 5.932 -8.152 1.00 45.12 H new ATOM 0 HB2 ASP A2102 3.227 7.769 -7.952 1.00 14.34 H new ATOM 0 HB3 ASP A2102 4.023 6.278 -8.413 1.00 14.34 H new ATOM 1464 N LEU A2103 3.655 4.604 -6.467 1.00 63.41 N ATOM 1465 CA LEU A2103 4.317 3.360 -6.116 1.00 22.54 C ATOM 1466 C LEU A2103 3.290 2.385 -5.535 1.00 55.22 C ATOM 1467 O LEU A2103 3.170 1.253 -6.001 1.00 61.14 O ATOM 1468 CB LEU A2103 5.504 3.626 -5.188 1.00 73.32 C ATOM 1469 CG LEU A2103 6.781 4.136 -5.860 1.00 14.54 C ATOM 1470 CD1 LEU A2103 6.701 5.642 -6.115 1.00 32.44 C ATOM 1471 CD2 LEU A2103 8.018 3.757 -5.045 1.00 62.24 C ATOM 0 H LEU A2103 4.025 5.431 -5.998 1.00 63.41 H new ATOM 0 HA LEU A2103 4.736 2.890 -7.005 1.00 22.54 H new ATOM 0 HB2 LEU A2103 5.197 4.354 -4.437 1.00 73.32 H new ATOM 0 HB3 LEU A2103 5.740 2.703 -4.659 1.00 73.32 H new ATOM 0 HG LEU A2103 6.875 3.650 -6.831 1.00 14.54 H new ATOM 0 HD11 LEU A2103 7.621 5.979 -6.593 1.00 32.44 H new ATOM 0 HD12 LEU A2103 5.854 5.856 -6.766 1.00 32.44 H new ATOM 0 HD13 LEU A2103 6.572 6.165 -5.168 1.00 32.44 H new ATOM 0 HD21 LEU A2103 8.912 4.131 -5.545 1.00 62.24 H new ATOM 0 HD22 LEU A2103 7.947 4.197 -4.050 1.00 62.24 H new ATOM 0 HD23 LEU A2103 8.078 2.672 -4.958 1.00 62.24 H new ATOM 1483 N TYR A2104 2.574 2.863 -4.529 1.00 32.33 N ATOM 1484 CA TYR A2104 1.560 2.050 -3.880 1.00 34.33 C ATOM 1485 C TYR A2104 0.552 1.513 -4.899 1.00 42.34 C ATOM 1486 O TYR A2104 0.372 0.303 -5.021 1.00 14.34 O ATOM 1487 CB TYR A2104 0.834 2.978 -2.904 1.00 53.15 C ATOM 1488 CG TYR A2104 1.621 3.274 -1.625 1.00 14.34 C ATOM 1489 CD1 TYR A2104 2.324 2.265 -0.999 1.00 35.32 C ATOM 1490 CD2 TYR A2104 1.627 4.549 -1.097 1.00 3.12 C ATOM 1491 CE1 TYR A2104 3.064 2.543 0.205 1.00 34.33 C ATOM 1492 CE2 TYR A2104 2.367 4.827 0.105 1.00 14.44 C ATOM 1493 CZ TYR A2104 3.048 3.810 0.699 1.00 64.41 C ATOM 1494 OH TYR A2104 3.746 4.073 1.836 1.00 4.02 O ATOM 0 H TYR A2104 2.676 3.803 -4.147 1.00 32.33 H new ATOM 0 HA TYR A2104 2.016 1.195 -3.382 1.00 34.33 H new ATOM 0 HB2 TYR A2104 0.613 3.919 -3.409 1.00 53.15 H new ATOM 0 HB3 TYR A2104 -0.122 2.529 -2.635 1.00 53.15 H new ATOM 0 HD1 TYR A2104 2.319 1.267 -1.412 1.00 35.32 H new ATOM 0 HD2 TYR A2104 1.076 5.338 -1.586 1.00 3.12 H new ATOM 0 HE1 TYR A2104 3.619 1.763 0.704 1.00 34.33 H new ATOM 0 HE2 TYR A2104 2.382 5.821 0.527 1.00 14.44 H new ATOM 0 HH TYR A2104 3.758 5.040 1.996 1.00 4.02 H new ATOM 1504 N TYR A2105 -0.078 2.440 -5.605 1.00 32.11 N ATOM 1505 CA TYR A2105 -1.063 2.076 -6.609 1.00 2.13 C ATOM 1506 C TYR A2105 -0.516 0.995 -7.545 1.00 73.54 C ATOM 1507 O TYR A2105 -1.259 0.122 -7.990 1.00 44.01 O ATOM 1508 CB TYR A2105 -1.330 3.347 -7.418 1.00 34.53 C ATOM 1509 CG TYR A2105 -2.704 3.378 -8.092 1.00 1.01 C ATOM 1510 CD1 TYR A2105 -3.418 2.209 -8.254 1.00 62.10 C ATOM 1511 CD2 TYR A2105 -3.227 4.574 -8.537 1.00 75.22 C ATOM 1512 CE1 TYR A2105 -4.711 2.237 -8.889 1.00 62.24 C ATOM 1513 CE2 TYR A2105 -4.519 4.605 -9.171 1.00 4.14 C ATOM 1514 CZ TYR A2105 -5.198 3.434 -9.316 1.00 2.31 C ATOM 1515 OH TYR A2105 -6.418 3.461 -9.916 1.00 34.10 O ATOM 0 H TYR A2105 0.075 3.443 -5.502 1.00 32.11 H new ATOM 0 HA TYR A2105 -1.964 1.683 -6.139 1.00 2.13 H new ATOM 0 HB2 TYR A2105 -1.240 4.211 -6.759 1.00 34.53 H new ATOM 0 HB3 TYR A2105 -0.559 3.448 -8.182 1.00 34.53 H new ATOM 0 HD1 TYR A2105 -3.008 1.273 -7.905 1.00 62.10 H new ATOM 0 HD2 TYR A2105 -2.667 5.488 -8.410 1.00 75.22 H new ATOM 0 HE1 TYR A2105 -5.281 1.329 -9.023 1.00 62.24 H new ATOM 0 HE2 TYR A2105 -4.940 5.535 -9.523 1.00 4.14 H new ATOM 0 HH TYR A2105 -6.638 4.382 -10.168 1.00 34.10 H new ATOM 1525 N HIS A2106 0.777 1.093 -7.816 1.00 65.54 N ATOM 1526 CA HIS A2106 1.431 0.134 -8.693 1.00 53.32 C ATOM 1527 C HIS A2106 1.362 -1.261 -8.069 1.00 72.02 C ATOM 1528 O HIS A2106 1.000 -2.228 -8.738 1.00 53.32 O ATOM 1529 CB HIS A2106 2.861 0.575 -9.007 1.00 63.00 C ATOM 1530 CG HIS A2106 3.103 0.878 -10.465 1.00 50.42 C ATOM 1531 ND1 HIS A2106 3.600 -0.060 -11.354 1.00 53.23 N ATOM 1532 CD2 HIS A2106 2.914 2.025 -11.181 1.00 64.21 C ATOM 1533 CE1 HIS A2106 3.699 0.507 -12.548 1.00 42.44 C ATOM 1534 NE2 HIS A2106 3.276 1.799 -12.438 1.00 54.10 N ATOM 0 H HIS A2106 1.389 1.820 -7.445 1.00 65.54 H new ATOM 0 HA HIS A2106 0.908 0.092 -9.649 1.00 53.32 H new ATOM 0 HB2 HIS A2106 3.094 1.462 -8.418 1.00 63.00 H new ATOM 0 HB3 HIS A2106 3.550 -0.208 -8.690 1.00 63.00 H new ATOM 0 HD2 HIS A2106 2.534 2.958 -10.791 1.00 64.21 H new ATOM 0 HE1 HIS A2106 4.053 0.030 -13.450 1.00 42.44 H new ATOM 0 HE2 HIS A2106 3.243 2.480 -13.197 1.00 54.10 H new ATOM 1543 N VAL A2107 1.718 -1.321 -6.792 1.00 62.21 N ATOM 1544 CA VAL A2107 1.702 -2.583 -6.072 1.00 2.15 C ATOM 1545 C VAL A2107 0.260 -2.941 -5.713 1.00 73.10 C ATOM 1546 O VAL A2107 -0.119 -4.111 -5.741 1.00 11.33 O ATOM 1547 CB VAL A2107 2.620 -2.498 -4.851 1.00 21.31 C ATOM 1548 CG1 VAL A2107 3.938 -1.804 -5.201 1.00 35.22 C ATOM 1549 CG2 VAL A2107 1.921 -1.790 -3.688 1.00 54.12 C ATOM 0 H VAL A2107 2.018 -0.518 -6.240 1.00 62.21 H new ATOM 0 HA VAL A2107 2.089 -3.387 -6.698 1.00 2.15 H new ATOM 0 HB VAL A2107 2.851 -3.515 -4.535 1.00 21.31 H new ATOM 0 HG11 VAL A2107 4.571 -1.757 -4.315 1.00 35.22 H new ATOM 0 HG12 VAL A2107 4.449 -2.366 -5.983 1.00 35.22 H new ATOM 0 HG13 VAL A2107 3.734 -0.793 -5.555 1.00 35.22 H new ATOM 0 HG21 VAL A2107 2.595 -1.743 -2.833 1.00 54.12 H new ATOM 0 HG22 VAL A2107 1.646 -0.779 -3.990 1.00 54.12 H new ATOM 0 HG23 VAL A2107 1.023 -2.343 -3.412 1.00 54.12 H new ATOM 1559 N PHE A2108 -0.508 -1.913 -5.381 1.00 72.11 N ATOM 1560 CA PHE A2108 -1.901 -2.104 -5.015 1.00 64.33 C ATOM 1561 C PHE A2108 -2.735 -2.509 -6.232 1.00 31.54 C ATOM 1562 O PHE A2108 -3.704 -3.256 -6.103 1.00 52.04 O ATOM 1563 CB PHE A2108 -2.413 -0.763 -4.484 1.00 23.54 C ATOM 1564 CG PHE A2108 -2.288 -0.607 -2.968 1.00 10.44 C ATOM 1565 CD1 PHE A2108 -3.182 -1.217 -2.145 1.00 61.43 C ATOM 1566 CD2 PHE A2108 -1.282 0.143 -2.441 1.00 32.31 C ATOM 1567 CE1 PHE A2108 -3.067 -1.072 -0.738 1.00 51.50 C ATOM 1568 CE2 PHE A2108 -1.165 0.288 -1.034 1.00 34.33 C ATOM 1569 CZ PHE A2108 -2.060 -0.323 -0.212 1.00 52.20 C ATOM 0 H PHE A2108 -0.191 -0.944 -5.358 1.00 72.11 H new ATOM 0 HA PHE A2108 -1.985 -2.895 -4.270 1.00 64.33 H new ATOM 0 HB2 PHE A2108 -1.862 0.043 -4.969 1.00 23.54 H new ATOM 0 HB3 PHE A2108 -3.460 -0.648 -4.766 1.00 23.54 H new ATOM 0 HD1 PHE A2108 -3.980 -1.812 -2.562 1.00 61.43 H new ATOM 0 HD2 PHE A2108 -0.572 0.628 -3.094 1.00 32.31 H new ATOM 0 HE1 PHE A2108 -3.778 -1.556 -0.085 1.00 51.50 H new ATOM 0 HE2 PHE A2108 -0.366 0.883 -0.616 1.00 34.33 H new ATOM 0 HZ PHE A2108 -1.971 -0.214 0.859 1.00 52.20 H new ATOM 1579 N ARG A2109 -2.328 -1.999 -7.386 1.00 34.12 N ATOM 1580 CA ARG A2109 -3.027 -2.298 -8.624 1.00 5.13 C ATOM 1581 C ARG A2109 -2.563 -3.645 -9.184 1.00 55.31 C ATOM 1582 O ARG A2109 -3.301 -4.306 -9.912 1.00 43.23 O ATOM 1583 CB ARG A2109 -2.786 -1.208 -9.670 1.00 21.15 C ATOM 1584 CG ARG A2109 -1.407 -1.364 -10.315 1.00 13.40 C ATOM 1585 CD ARG A2109 -1.529 -1.872 -11.752 1.00 2.34 C ATOM 1586 NE ARG A2109 -0.528 -2.934 -12.000 1.00 63.22 N ATOM 1587 CZ ARG A2109 -0.144 -3.343 -13.228 1.00 35.05 C ATOM 1588 NH1 ARG A2109 -0.677 -2.780 -14.334 1.00 55.34 N ATOM 1589 NH2 ARG A2109 0.757 -4.300 -13.333 1.00 12.21 N ATOM 0 H ARG A2109 -1.523 -1.381 -7.489 1.00 34.12 H new ATOM 0 HA ARG A2109 -4.093 -2.341 -8.401 1.00 5.13 H new ATOM 0 HB2 ARG A2109 -3.558 -1.258 -10.437 1.00 21.15 H new ATOM 0 HB3 ARG A2109 -2.864 -0.226 -9.203 1.00 21.15 H new ATOM 0 HG2 ARG A2109 -0.887 -0.406 -10.307 1.00 13.40 H new ATOM 0 HG3 ARG A2109 -0.804 -2.059 -9.730 1.00 13.40 H new ATOM 0 HD2 ARG A2109 -2.533 -2.259 -11.926 1.00 2.34 H new ATOM 0 HD3 ARG A2109 -1.379 -1.049 -12.451 1.00 2.34 H new ATOM 0 HE ARG A2109 -0.101 -3.386 -11.191 1.00 63.22 H new ATOM 0 HH11 ARG A2109 -1.374 -2.041 -14.245 1.00 55.34 H new ATOM 0 HH12 ARG A2109 -0.382 -3.094 -15.259 1.00 55.34 H new ATOM 0 HH21 ARG A2109 1.154 -4.721 -12.493 1.00 12.21 H new ATOM 0 HH22 ARG A2109 1.057 -4.619 -14.254 1.00 12.21 H new ATOM 1601 N ARG A2110 -1.342 -4.010 -8.821 1.00 53.25 N ATOM 1602 CA ARG A2110 -0.770 -5.265 -9.277 1.00 63.51 C ATOM 1603 C ARG A2110 -1.431 -6.442 -8.557 1.00 3.44 C ATOM 1604 O ARG A2110 -1.902 -7.381 -9.197 1.00 41.13 O ATOM 1605 CB ARG A2110 0.739 -5.305 -9.029 1.00 64.24 C ATOM 1606 CG ARG A2110 1.420 -6.320 -9.951 1.00 74.24 C ATOM 1607 CD ARG A2110 1.292 -7.738 -9.394 1.00 4.42 C ATOM 1608 NE ARG A2110 2.623 -8.245 -8.989 1.00 62.32 N ATOM 1609 CZ ARG A2110 2.874 -9.529 -8.656 1.00 21.14 C ATOM 1610 NH1 ARG A2110 1.886 -10.448 -8.675 1.00 13.35 N ATOM 1611 NH2 ARG A2110 4.101 -9.871 -8.310 1.00 13.15 N ATOM 0 H ARG A2110 -0.733 -3.458 -8.216 1.00 53.25 H new ATOM 0 HA ARG A2110 -0.952 -5.343 -10.349 1.00 63.51 H new ATOM 0 HB2 ARG A2110 1.165 -4.315 -9.194 1.00 64.24 H new ATOM 0 HB3 ARG A2110 0.933 -5.566 -7.989 1.00 64.24 H new ATOM 0 HG2 ARG A2110 0.972 -6.273 -10.943 1.00 74.24 H new ATOM 0 HG3 ARG A2110 2.473 -6.064 -10.065 1.00 74.24 H new ATOM 0 HD2 ARG A2110 0.616 -7.742 -8.539 1.00 4.42 H new ATOM 0 HD3 ARG A2110 0.857 -8.395 -10.147 1.00 4.42 H new ATOM 0 HE ARG A2110 3.398 -7.583 -8.960 1.00 62.32 H new ATOM 0 HH11 ARG A2110 0.940 -10.175 -8.943 1.00 13.35 H new ATOM 0 HH12 ARG A2110 2.085 -11.416 -8.422 1.00 13.35 H new ATOM 0 HH21 ARG A2110 4.842 -9.170 -8.297 1.00 13.15 H new ATOM 0 HH22 ARG A2110 4.309 -10.837 -8.055 1.00 13.15 H new ATOM 1623 N ILE A2111 -1.443 -6.354 -7.235 1.00 70.30 N ATOM 1624 CA ILE A2111 -2.039 -7.400 -6.421 1.00 64.25 C ATOM 1625 C ILE A2111 -3.357 -7.848 -7.057 1.00 45.32 C ATOM 1626 O ILE A2111 -3.769 -8.995 -6.897 1.00 31.42 O ATOM 1627 CB ILE A2111 -2.181 -6.935 -4.972 1.00 55.11 C ATOM 1628 CG1 ILE A2111 -2.868 -5.569 -4.900 1.00 55.20 C ATOM 1629 CG2 ILE A2111 -0.828 -6.934 -4.260 1.00 13.31 C ATOM 1630 CD1 ILE A2111 -2.767 -4.979 -3.491 1.00 34.51 C ATOM 0 H ILE A2111 -1.050 -5.575 -6.707 1.00 70.30 H new ATOM 0 HA ILE A2111 -1.389 -8.274 -6.388 1.00 64.25 H new ATOM 0 HB ILE A2111 -2.819 -7.645 -4.447 1.00 55.11 H new ATOM 0 HG12 ILE A2111 -2.409 -4.889 -5.617 1.00 55.20 H new ATOM 0 HG13 ILE A2111 -3.916 -5.669 -5.182 1.00 55.20 H new ATOM 0 HG21 ILE A2111 -0.959 -6.599 -3.231 1.00 13.31 H new ATOM 0 HG22 ILE A2111 -0.414 -7.942 -4.264 1.00 13.31 H new ATOM 0 HG23 ILE A2111 -0.145 -6.260 -4.777 1.00 13.31 H new ATOM 0 HD11 ILE A2111 -3.263 -4.009 -3.467 1.00 34.51 H new ATOM 0 HD12 ILE A2111 -3.248 -5.650 -2.780 1.00 34.51 H new ATOM 0 HD13 ILE A2111 -1.718 -4.857 -3.222 1.00 34.51 H new ATOM 1642 N SER A2112 -3.981 -6.917 -7.764 1.00 11.23 N ATOM 1643 CA SER A2112 -5.244 -7.201 -8.424 1.00 4.41 C ATOM 1644 C SER A2112 -4.987 -7.779 -9.818 1.00 20.32 C ATOM 1645 O SER A2112 -5.493 -8.849 -10.153 1.00 12.34 O ATOM 1646 CB SER A2112 -6.110 -5.944 -8.522 1.00 5.32 C ATOM 1647 OG SER A2112 -6.201 -5.260 -7.275 1.00 3.33 O ATOM 0 H SER A2112 -3.636 -5.966 -7.894 1.00 11.23 H new ATOM 0 HA SER A2112 -5.785 -7.935 -7.827 1.00 4.41 H new ATOM 0 HB2 SER A2112 -5.693 -5.274 -9.273 1.00 5.32 H new ATOM 0 HB3 SER A2112 -7.110 -6.218 -8.859 1.00 5.32 H new ATOM 0 HG SER A2112 -6.761 -4.462 -7.379 1.00 3.33 H new ATOM 1653 N LYS A2113 -4.204 -7.044 -10.592 1.00 51.32 N ATOM 1654 CA LYS A2113 -3.874 -7.470 -11.942 1.00 62.31 C ATOM 1655 C LYS A2113 -3.428 -8.932 -11.916 1.00 24.14 C ATOM 1656 O LYS A2113 -3.064 -9.457 -10.864 1.00 40.02 O ATOM 1657 CB LYS A2113 -2.846 -6.524 -12.566 1.00 21.35 C ATOM 1658 CG LYS A2113 -3.368 -5.934 -13.878 1.00 2.32 C ATOM 1659 CD LYS A2113 -4.206 -4.681 -13.621 1.00 50.44 C ATOM 1660 CE LYS A2113 -5.581 -4.796 -14.279 1.00 52.44 C ATOM 1661 NZ LYS A2113 -6.619 -5.087 -13.267 1.00 14.15 N ATOM 0 H LYS A2113 -3.788 -6.156 -10.311 1.00 51.32 H new ATOM 0 HA LYS A2113 -4.753 -7.416 -12.584 1.00 62.31 H new ATOM 0 HB2 LYS A2113 -2.616 -5.719 -11.868 1.00 21.35 H new ATOM 0 HB3 LYS A2113 -1.916 -7.062 -12.750 1.00 21.35 H new ATOM 0 HG2 LYS A2113 -2.529 -5.688 -14.529 1.00 2.32 H new ATOM 0 HG3 LYS A2113 -3.970 -6.677 -14.401 1.00 2.32 H new ATOM 0 HD2 LYS A2113 -4.324 -4.532 -12.548 1.00 50.44 H new ATOM 0 HD3 LYS A2113 -3.686 -3.805 -14.009 1.00 50.44 H new ATOM 0 HE2 LYS A2113 -5.821 -3.868 -14.797 1.00 52.44 H new ATOM 0 HE3 LYS A2113 -5.566 -5.586 -15.030 1.00 52.44 H new ATOM 0 HZ1 LYS A2113 -7.546 -5.162 -13.732 1.00 14.15 H new ATOM 0 HZ2 LYS A2113 -6.397 -5.985 -12.791 1.00 14.15 H new ATOM 0 HZ3 LYS A2113 -6.645 -4.320 -12.565 1.00 14.15 H new ATOM 1674 N GLN A2114 -3.469 -9.552 -13.087 1.00 4.43 N ATOM 1675 CA GLN A2114 -3.074 -10.945 -13.211 1.00 12.21 C ATOM 1676 C GLN A2114 -3.572 -11.749 -12.009 1.00 74.41 C ATOM 1677 O GLN A2114 -4.736 -12.144 -11.962 1.00 33.51 O ATOM 1678 CB GLN A2114 -1.556 -11.072 -13.366 1.00 34.42 C ATOM 1679 CG GLN A2114 -1.195 -12.223 -14.306 1.00 41.20 C ATOM 1680 CD GLN A2114 -0.148 -11.785 -15.332 1.00 3.35 C ATOM 1681 OE1 GLN A2114 -0.111 -10.649 -15.774 1.00 23.10 O ATOM 1682 NE2 GLN A2114 0.699 -12.749 -15.685 1.00 44.32 N ATOM 0 H GLN A2114 -3.770 -9.115 -13.958 1.00 4.43 H new ATOM 0 HA GLN A2114 -3.534 -11.354 -14.111 1.00 12.21 H new ATOM 0 HB2 GLN A2114 -1.147 -10.139 -13.754 1.00 34.42 H new ATOM 0 HB3 GLN A2114 -1.100 -11.238 -12.390 1.00 34.42 H new ATOM 0 HG2 GLN A2114 -0.813 -13.064 -13.727 1.00 41.20 H new ATOM 0 HG3 GLN A2114 -2.090 -12.571 -14.821 1.00 41.20 H new ATOM 0 HE21 GLN A2114 0.612 -13.679 -15.276 1.00 44.32 H new ATOM 0 HE22 GLN A2114 1.435 -12.557 -16.365 1.00 44.32 H new TER 1691 GLN A2114