USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2026 MET CE :methyl 145:sc= -5.58! (180deg=-5.44!) USER MOD Set 1.2: A2057 MET CE :methyl 158:sc= -0.515 (180deg=0) USER MOD Set 1.3: A2058 MET CE :methyl 154:sc= -12.6! (180deg=-11!) USER MOD Set 2.1: A2043 ASN : amide:sc= -2.9! C(o=-2.7!,f=-19!) USER MOD Set 2.2: A2045 LYS NZ :NH3+ -155:sc= 0.188 (180deg=-1.9!) USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-5.8!) USER MOD Single : A2028 HIS : no HD1:sc= -0.771 K(o=-0.77,f=-0.19) USER MOD Single : A2035 SER OG : rot 25:sc= 1.05 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2047 MET CE :methyl -138:sc= -7.31 (180deg=-15!) USER MOD Single : A2055 HIS : no HD1:sc= -4.78 K(o=-4.8,f=-2) USER MOD Single : A2063 GLN : amide:sc= -2.15! C(o=-2.2!,f=-2.8!) 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 74:sc= 0.121 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.197 K(o=-0.2,f=1.1) USER MOD Single : A2072 GLN : amide:sc=-0.00417 X(o=-0.0042,f=-0.14) USER MOD Single : A2074 TYR OH : rot 165:sc= -0.144 USER MOD Single : A2079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2082 GLN : amide:sc=-0.00413 X(o=-0.0041,f=0) USER MOD Single : A2085 CYS SG : rot 80:sc= 0.722 USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 30:sc= -0.923 USER MOD Single : A2089 MET CE :methyl -95:sc= -0.195 (180deg=-1.22) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 63:sc= 0.391 USER MOD Single : A2093 ASN : amide:sc= -0.339 K(o=-0.34,f=-2.7!) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0 USER MOD Single : A2099 GLN : amide:sc= -0.0138 K(o=-0.014,f=-0.93) USER MOD Single : A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2105 TYR OH : rot 180:sc= 0 USER MOD Single : A2106 HIS : no HD1:sc= -0.104 X(o=-0.1,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= -0.413 X(o=-0.41,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 5.349 -18.938 -8.562 1.00 52.23 N ATOM 2 CA MET A2014 4.515 -18.036 -9.340 1.00 74.21 C ATOM 3 C MET A2014 3.227 -18.731 -9.789 1.00 60.03 C ATOM 4 O MET A2014 3.243 -19.528 -10.724 1.00 21.54 O ATOM 5 CB MET A2014 5.289 -17.553 -10.567 1.00 32.13 C ATOM 6 CG MET A2014 6.337 -16.509 -10.180 1.00 42.40 C ATOM 7 SD MET A2014 6.156 -15.055 -11.199 1.00 24.21 S ATOM 8 CE MET A2014 5.979 -13.808 -9.934 1.00 51.12 C ATOM 0 HA MET A2014 4.248 -17.186 -8.712 1.00 74.21 H new ATOM 0 HB2 MET A2014 5.776 -18.400 -11.050 1.00 32.13 H new ATOM 0 HB3 MET A2014 4.597 -17.126 -11.293 1.00 32.13 H new ATOM 0 HG2 MET A2014 6.226 -16.243 -9.129 1.00 42.40 H new ATOM 0 HG3 MET A2014 7.338 -16.925 -10.299 1.00 42.40 H new ATOM 0 HE1 MET A2014 5.855 -12.831 -10.401 1.00 51.12 H new ATOM 0 HE2 MET A2014 5.105 -14.031 -9.323 1.00 51.12 H new ATOM 0 HE3 MET A2014 6.869 -13.799 -9.305 1.00 51.12 H new ATOM 18 N GLU A2015 2.144 -18.401 -9.101 1.00 50.31 N ATOM 19 CA GLU A2015 0.851 -18.983 -9.417 1.00 1.10 C ATOM 20 C GLU A2015 -0.090 -17.914 -9.977 1.00 71.30 C ATOM 21 O GLU A2015 -1.146 -18.235 -10.522 1.00 13.14 O ATOM 22 CB GLU A2015 0.240 -19.662 -8.189 1.00 11.22 C ATOM 23 CG GLU A2015 1.058 -20.888 -7.777 1.00 12.24 C ATOM 24 CD GLU A2015 0.147 -22.007 -7.263 1.00 54.04 C ATOM 25 OE1 GLU A2015 -1.019 -22.094 -7.673 1.00 50.51 O ATOM 26 OE2 GLU A2015 0.693 -22.802 -6.407 1.00 60.13 O ATOM 0 H GLU A2015 2.135 -17.738 -8.326 1.00 50.31 H new ATOM 0 HA GLU A2015 0.996 -19.748 -10.180 1.00 1.10 H new ATOM 0 HB2 GLU A2015 0.197 -18.954 -7.361 1.00 11.22 H new ATOM 0 HB3 GLU A2015 -0.785 -19.961 -8.407 1.00 11.22 H new ATOM 0 HG2 GLU A2015 1.636 -21.247 -8.628 1.00 12.24 H new ATOM 0 HG3 GLU A2015 1.772 -20.610 -7.002 1.00 12.24 H new ATOM 34 N LEU A2016 0.326 -16.667 -9.825 1.00 52.43 N ATOM 35 CA LEU A2016 -0.465 -15.549 -10.307 1.00 61.42 C ATOM 36 C LEU A2016 -1.879 -15.642 -9.729 1.00 64.23 C ATOM 37 O LEU A2016 -2.863 -15.532 -10.460 1.00 44.35 O ATOM 38 CB LEU A2016 -0.431 -15.488 -11.836 1.00 42.02 C ATOM 39 CG LEU A2016 0.720 -14.688 -12.450 1.00 54.23 C ATOM 40 CD1 LEU A2016 1.893 -15.600 -12.813 1.00 20.14 C ATOM 41 CD2 LEU A2016 0.240 -13.866 -13.648 1.00 44.21 C ATOM 0 H LEU A2016 1.203 -16.405 -9.374 1.00 52.43 H new ATOM 0 HA LEU A2016 -0.040 -14.606 -9.962 1.00 61.42 H new ATOM 0 HB2 LEU A2016 -0.384 -16.507 -12.220 1.00 42.02 H new ATOM 0 HB3 LEU A2016 -1.371 -15.060 -12.184 1.00 42.02 H new ATOM 0 HG LEU A2016 1.082 -13.984 -11.701 1.00 54.23 H new ATOM 0 HD11 LEU A2016 2.696 -15.004 -13.247 1.00 20.14 H new ATOM 0 HD12 LEU A2016 2.257 -16.100 -11.915 1.00 20.14 H new ATOM 0 HD13 LEU A2016 1.563 -16.346 -13.536 1.00 20.14 H new ATOM 0 HD21 LEU A2016 1.078 -13.307 -14.065 1.00 44.21 H new ATOM 0 HD22 LEU A2016 -0.165 -14.534 -14.408 1.00 44.21 H new ATOM 0 HD23 LEU A2016 -0.535 -13.171 -13.325 1.00 44.21 H new ATOM 53 N ILE A2017 -1.936 -15.845 -8.421 1.00 34.14 N ATOM 54 CA ILE A2017 -3.213 -15.955 -7.735 1.00 23.43 C ATOM 55 C ILE A2017 -3.299 -14.878 -6.653 1.00 25.43 C ATOM 56 O ILE A2017 -2.319 -14.609 -5.961 1.00 73.13 O ATOM 57 CB ILE A2017 -3.416 -17.376 -7.208 1.00 72.30 C ATOM 58 CG1 ILE A2017 -3.583 -18.370 -8.359 1.00 11.00 C ATOM 59 CG2 ILE A2017 -4.590 -17.434 -6.227 1.00 0.52 C ATOM 60 CD1 ILE A2017 -4.038 -19.736 -7.842 1.00 53.41 C ATOM 0 H ILE A2017 -1.119 -15.936 -7.818 1.00 34.14 H new ATOM 0 HA ILE A2017 -4.036 -15.777 -8.428 1.00 23.43 H new ATOM 0 HB ILE A2017 -2.521 -17.667 -6.658 1.00 72.30 H new ATOM 0 HG12 ILE A2017 -4.312 -17.986 -9.073 1.00 11.00 H new ATOM 0 HG13 ILE A2017 -2.639 -18.475 -8.893 1.00 11.00 H new ATOM 0 HG21 ILE A2017 -4.713 -18.455 -5.867 1.00 0.52 H new ATOM 0 HG22 ILE A2017 -4.392 -16.773 -5.383 1.00 0.52 H new ATOM 0 HG23 ILE A2017 -5.502 -17.115 -6.732 1.00 0.52 H new ATOM 0 HD11 ILE A2017 -4.149 -20.424 -8.680 1.00 53.41 H new ATOM 0 HD12 ILE A2017 -3.295 -20.128 -7.147 1.00 53.41 H new ATOM 0 HD13 ILE A2017 -4.994 -19.631 -7.330 1.00 53.41 H new ATOM 72 N ARG A2018 -4.482 -14.291 -6.540 1.00 22.23 N ATOM 73 CA ARG A2018 -4.709 -13.250 -5.553 1.00 65.31 C ATOM 74 C ARG A2018 -5.910 -13.604 -4.674 1.00 64.21 C ATOM 75 O ARG A2018 -6.968 -12.986 -4.782 1.00 72.25 O ATOM 76 CB ARG A2018 -4.960 -11.899 -6.225 1.00 52.12 C ATOM 77 CG ARG A2018 -6.029 -12.018 -7.313 1.00 13.00 C ATOM 78 CD ARG A2018 -5.391 -12.096 -8.702 1.00 72.10 C ATOM 79 NE ARG A2018 -6.358 -12.663 -9.670 1.00 1.44 N ATOM 80 CZ ARG A2018 -7.349 -11.957 -10.253 1.00 23.21 C ATOM 81 NH1 ARG A2018 -7.516 -10.649 -9.970 1.00 54.13 N ATOM 82 NH2 ARG A2018 -8.153 -12.569 -11.103 1.00 61.21 N ATOM 0 H ARG A2018 -5.293 -14.517 -7.116 1.00 22.23 H new ATOM 0 HA ARG A2018 -3.812 -13.177 -4.937 1.00 65.31 H new ATOM 0 HB2 ARG A2018 -5.276 -11.170 -5.478 1.00 52.12 H new ATOM 0 HB3 ARG A2018 -4.032 -11.528 -6.661 1.00 52.12 H new ATOM 0 HG2 ARG A2018 -6.635 -12.907 -7.137 1.00 13.00 H new ATOM 0 HG3 ARG A2018 -6.700 -11.160 -7.264 1.00 13.00 H new ATOM 0 HD2 ARG A2018 -5.080 -11.103 -9.025 1.00 72.10 H new ATOM 0 HD3 ARG A2018 -4.494 -12.715 -8.666 1.00 72.10 H new ATOM 0 HE ARG A2018 -6.269 -13.650 -9.911 1.00 1.44 H new ATOM 0 HH11 ARG A2018 -6.890 -10.186 -9.311 1.00 54.13 H new ATOM 0 HH12 ARG A2018 -8.268 -10.123 -10.415 1.00 54.13 H new ATOM 0 HH21 ARG A2018 -8.019 -13.559 -11.309 1.00 61.21 H new ATOM 0 HH22 ARG A2018 -8.908 -12.052 -11.554 1.00 61.21 H new ATOM 94 N VAL A2019 -5.708 -14.599 -3.823 1.00 2.31 N ATOM 95 CA VAL A2019 -6.761 -15.045 -2.926 1.00 43.32 C ATOM 96 C VAL A2019 -7.511 -13.827 -2.384 1.00 71.34 C ATOM 97 O VAL A2019 -6.908 -12.787 -2.119 1.00 25.32 O ATOM 98 CB VAL A2019 -6.171 -15.923 -1.821 1.00 5.30 C ATOM 99 CG1 VAL A2019 -4.947 -15.258 -1.186 1.00 22.21 C ATOM 100 CG2 VAL A2019 -7.224 -16.254 -0.763 1.00 34.05 C ATOM 0 H VAL A2019 -4.829 -15.110 -3.735 1.00 2.31 H new ATOM 0 HA VAL A2019 -7.483 -15.661 -3.461 1.00 43.32 H new ATOM 0 HB VAL A2019 -5.846 -16.859 -2.275 1.00 5.30 H new ATOM 0 HG11 VAL A2019 -4.547 -15.903 -0.404 1.00 22.21 H new ATOM 0 HG12 VAL A2019 -4.184 -15.096 -1.948 1.00 22.21 H new ATOM 0 HG13 VAL A2019 -5.237 -14.300 -0.754 1.00 22.21 H new ATOM 0 HG21 VAL A2019 -6.778 -16.879 0.011 1.00 34.05 H new ATOM 0 HG22 VAL A2019 -7.593 -15.331 -0.316 1.00 34.05 H new ATOM 0 HG23 VAL A2019 -8.052 -16.788 -1.229 1.00 34.05 H new ATOM 110 N PRO A2020 -8.851 -13.998 -2.232 1.00 21.45 N ATOM 111 CA PRO A2020 -9.691 -12.927 -1.726 1.00 54.14 C ATOM 112 C PRO A2020 -9.506 -12.749 -0.217 1.00 21.35 C ATOM 113 O PRO A2020 -8.754 -11.881 0.222 1.00 31.34 O ATOM 114 CB PRO A2020 -11.108 -13.322 -2.109 1.00 54.21 C ATOM 115 CG PRO A2020 -11.060 -14.812 -2.400 1.00 34.52 C ATOM 116 CD PRO A2020 -9.601 -15.214 -2.533 1.00 44.11 C ATOM 0 HA PRO A2020 -9.434 -11.956 -2.151 1.00 54.14 H new ATOM 0 HB2 PRO A2020 -11.806 -13.104 -1.301 1.00 54.21 H new ATOM 0 HB3 PRO A2020 -11.447 -12.764 -2.982 1.00 54.21 H new ATOM 0 HG2 PRO A2020 -11.539 -15.373 -1.598 1.00 34.52 H new ATOM 0 HG3 PRO A2020 -11.604 -15.040 -3.317 1.00 34.52 H new ATOM 0 HD2 PRO A2020 -9.347 -16.017 -1.841 1.00 44.11 H new ATOM 0 HD3 PRO A2020 -9.380 -15.577 -3.537 1.00 44.11 H new ATOM 124 N ILE A2021 -10.207 -13.586 0.535 1.00 44.04 N ATOM 125 CA ILE A2021 -10.129 -13.533 1.984 1.00 60.01 C ATOM 126 C ILE A2021 -8.684 -13.773 2.422 1.00 2.32 C ATOM 127 O ILE A2021 -8.323 -14.887 2.800 1.00 24.34 O ATOM 128 CB ILE A2021 -11.131 -14.505 2.610 1.00 31.40 C ATOM 129 CG1 ILE A2021 -10.820 -15.949 2.208 1.00 60.11 C ATOM 130 CG2 ILE A2021 -12.568 -14.110 2.261 1.00 32.44 C ATOM 131 CD1 ILE A2021 -10.234 -16.730 3.387 1.00 72.32 C ATOM 0 H ILE A2021 -10.831 -14.304 0.167 1.00 44.04 H new ATOM 0 HA ILE A2021 -10.411 -12.544 2.345 1.00 60.01 H new ATOM 0 HB ILE A2021 -11.034 -14.445 3.694 1.00 31.40 H new ATOM 0 HG12 ILE A2021 -11.730 -16.438 1.859 1.00 60.11 H new ATOM 0 HG13 ILE A2021 -10.116 -15.956 1.376 1.00 60.11 H new ATOM 0 HG21 ILE A2021 -13.261 -14.817 2.718 1.00 32.44 H new ATOM 0 HG22 ILE A2021 -12.771 -13.107 2.637 1.00 32.44 H new ATOM 0 HG23 ILE A2021 -12.697 -14.124 1.179 1.00 32.44 H new ATOM 0 HD11 ILE A2021 -10.022 -17.753 3.076 1.00 72.32 H new ATOM 0 HD12 ILE A2021 -9.312 -16.252 3.718 1.00 72.32 H new ATOM 0 HD13 ILE A2021 -10.951 -16.742 4.208 1.00 72.32 H new ATOM 143 N LEU A2022 -7.895 -12.711 2.358 1.00 62.25 N ATOM 144 CA LEU A2022 -6.496 -12.794 2.743 1.00 52.53 C ATOM 145 C LEU A2022 -5.927 -11.381 2.884 1.00 40.35 C ATOM 146 O LEU A2022 -6.675 -10.420 3.057 1.00 60.53 O ATOM 147 CB LEU A2022 -5.720 -13.675 1.761 1.00 54.33 C ATOM 148 CG LEU A2022 -4.916 -14.822 2.379 1.00 53.13 C ATOM 149 CD1 LEU A2022 -3.977 -14.304 3.472 1.00 44.53 C ATOM 150 CD2 LEU A2022 -5.843 -15.924 2.894 1.00 3.30 C ATOM 0 H LEU A2022 -8.197 -11.788 2.045 1.00 62.25 H new ATOM 0 HA LEU A2022 -6.396 -13.278 3.715 1.00 52.53 H new ATOM 0 HB2 LEU A2022 -6.426 -14.097 1.046 1.00 54.33 H new ATOM 0 HB3 LEU A2022 -5.036 -13.041 1.197 1.00 54.33 H new ATOM 0 HG LEU A2022 -4.293 -15.263 1.601 1.00 53.13 H new ATOM 0 HD11 LEU A2022 -3.417 -15.138 3.896 1.00 44.53 H new ATOM 0 HD12 LEU A2022 -3.283 -13.581 3.043 1.00 44.53 H new ATOM 0 HD13 LEU A2022 -4.562 -13.824 4.257 1.00 44.53 H new ATOM 0 HD21 LEU A2022 -5.247 -16.727 3.328 1.00 3.30 H new ATOM 0 HD22 LEU A2022 -6.508 -15.514 3.654 1.00 3.30 H new ATOM 0 HD23 LEU A2022 -6.435 -16.317 2.067 1.00 3.30 H new ATOM 162 N TRP A2023 -4.606 -11.298 2.805 1.00 45.11 N ATOM 163 CA TRP A2023 -3.928 -10.019 2.921 1.00 11.33 C ATOM 164 C TRP A2023 -4.497 -9.083 1.853 1.00 44.00 C ATOM 165 O TRP A2023 -4.848 -7.942 2.145 1.00 54.44 O ATOM 166 CB TRP A2023 -2.412 -10.191 2.818 1.00 14.14 C ATOM 167 CG TRP A2023 -1.726 -10.479 4.155 1.00 21.44 C ATOM 168 CD1 TRP A2023 -2.296 -10.818 5.320 1.00 73.35 C ATOM 169 CD2 TRP A2023 -0.308 -10.440 4.422 1.00 41.42 C ATOM 170 NE1 TRP A2023 -1.355 -11.000 6.312 1.00 4.43 N ATOM 171 CE2 TRP A2023 -0.107 -10.763 5.748 1.00 32.11 C ATOM 172 CE3 TRP A2023 0.770 -10.141 3.568 1.00 22.50 C ATOM 173 CZ2 TRP A2023 1.161 -10.817 6.340 1.00 34.54 C ATOM 174 CZ3 TRP A2023 2.030 -10.202 4.176 1.00 60.40 C ATOM 175 CH2 TRP A2023 2.248 -10.524 5.510 1.00 23.11 C ATOM 0 H TRP A2023 -3.988 -12.097 2.662 1.00 45.11 H new ATOM 0 HA TRP A2023 -4.105 -9.577 3.901 1.00 11.33 H new ATOM 0 HB2 TRP A2023 -2.195 -11.006 2.127 1.00 14.14 H new ATOM 0 HB3 TRP A2023 -1.982 -9.286 2.388 1.00 14.14 H new ATOM 0 HD1 TRP A2023 -3.360 -10.934 5.464 1.00 73.35 H new ATOM 0 HE1 TRP A2023 -1.541 -11.260 7.281 1.00 4.43 H new ATOM 0 HE3 TRP A2023 0.636 -9.885 2.527 1.00 22.50 H new ATOM 0 HZ2 TRP A2023 1.292 -11.071 7.381 1.00 34.54 H new ATOM 0 HZ3 TRP A2023 2.893 -9.983 3.565 1.00 60.40 H new ATOM 0 HH2 TRP A2023 3.253 -10.548 5.905 1.00 23.11 H new ATOM 186 N HIS A2024 -4.570 -9.601 0.636 1.00 65.32 N ATOM 187 CA HIS A2024 -5.089 -8.828 -0.478 1.00 73.34 C ATOM 188 C HIS A2024 -6.392 -8.140 -0.063 1.00 35.10 C ATOM 189 O HIS A2024 -6.760 -7.108 -0.622 1.00 33.24 O ATOM 190 CB HIS A2024 -5.253 -9.704 -1.720 1.00 65.14 C ATOM 191 CG HIS A2024 -4.161 -10.731 -1.896 1.00 4.30 C ATOM 192 ND1 HIS A2024 -4.403 -12.012 -2.356 1.00 31.04 N ATOM 193 CD2 HIS A2024 -2.817 -10.650 -1.671 1.00 40.55 C ATOM 194 CE1 HIS A2024 -3.250 -12.666 -2.400 1.00 63.12 C ATOM 195 NE2 HIS A2024 -2.269 -11.819 -1.975 1.00 42.00 N ATOM 0 H HIS A2024 -4.278 -10.549 0.397 1.00 65.32 H new ATOM 0 HA HIS A2024 -4.375 -8.049 -0.746 1.00 73.34 H new ATOM 0 HB2 HIS A2024 -6.214 -10.216 -1.667 1.00 65.14 H new ATOM 0 HB3 HIS A2024 -5.281 -9.064 -2.602 1.00 65.14 H new ATOM 0 HD1 HIS A2024 -5.314 -12.390 -2.617 1.00 31.04 H new ATOM 0 HD2 HIS A2024 -2.289 -9.781 -1.307 1.00 40.55 H new ATOM 0 HE1 HIS A2024 -3.112 -13.689 -2.717 1.00 63.12 H new ATOM 204 N GLU A2025 -7.053 -8.739 0.916 1.00 21.13 N ATOM 205 CA GLU A2025 -8.306 -8.199 1.415 1.00 52.02 C ATOM 206 C GLU A2025 -8.053 -6.908 2.196 1.00 35.41 C ATOM 207 O GLU A2025 -8.878 -5.997 2.180 1.00 50.03 O ATOM 208 CB GLU A2025 -9.044 -9.226 2.275 1.00 35.25 C ATOM 209 CG GLU A2025 -10.476 -8.773 2.564 1.00 54.15 C ATOM 210 CD GLU A2025 -11.111 -9.627 3.664 1.00 22.44 C ATOM 211 OE1 GLU A2025 -10.403 -10.104 4.563 1.00 55.20 O ATOM 212 OE2 GLU A2025 -12.387 -9.788 3.561 1.00 52.24 O ATOM 0 H GLU A2025 -6.744 -9.594 1.378 1.00 21.13 H new ATOM 0 HA GLU A2025 -8.944 -7.966 0.562 1.00 52.02 H new ATOM 0 HB2 GLU A2025 -9.060 -10.189 1.764 1.00 35.25 H new ATOM 0 HB3 GLU A2025 -8.509 -9.372 3.213 1.00 35.25 H new ATOM 0 HG2 GLU A2025 -10.476 -7.726 2.866 1.00 54.15 H new ATOM 0 HG3 GLU A2025 -11.073 -8.842 1.655 1.00 54.15 H new ATOM 220 N MET A2026 -6.909 -6.873 2.865 1.00 34.14 N ATOM 221 CA MET A2026 -6.538 -5.710 3.653 1.00 70.22 C ATOM 222 C MET A2026 -6.079 -4.562 2.750 1.00 15.44 C ATOM 223 O MET A2026 -6.250 -3.394 3.092 1.00 75.15 O ATOM 224 CB MET A2026 -5.412 -6.085 4.616 1.00 45.42 C ATOM 225 CG MET A2026 -4.041 -5.866 3.971 1.00 52.35 C ATOM 226 SD MET A2026 -3.499 -4.186 4.247 1.00 0.35 S ATOM 227 CE MET A2026 -1.737 -4.396 4.060 1.00 44.54 C ATOM 0 H MET A2026 -6.227 -7.632 2.877 1.00 34.14 H new ATOM 0 HA MET A2026 -7.412 -5.379 4.214 1.00 70.22 H new ATOM 0 HB2 MET A2026 -5.491 -5.486 5.523 1.00 45.42 H new ATOM 0 HB3 MET A2026 -5.515 -7.129 4.913 1.00 45.42 H new ATOM 0 HG2 MET A2026 -3.317 -6.564 4.390 1.00 52.35 H new ATOM 0 HG3 MET A2026 -4.096 -6.068 2.901 1.00 52.35 H new ATOM 0 HE1 MET A2026 -1.312 -3.508 3.592 1.00 44.54 H new ATOM 0 HE2 MET A2026 -1.282 -4.543 5.040 1.00 44.54 H new ATOM 0 HE3 MET A2026 -1.539 -5.266 3.434 1.00 44.54 H new ATOM 237 N TRP A2027 -5.502 -4.937 1.619 1.00 51.23 N ATOM 238 CA TRP A2027 -5.018 -3.952 0.665 1.00 51.00 C ATOM 239 C TRP A2027 -6.231 -3.295 0.005 1.00 70.41 C ATOM 240 O TRP A2027 -6.328 -2.070 -0.044 1.00 71.23 O ATOM 241 CB TRP A2027 -4.060 -4.590 -0.343 1.00 1.11 C ATOM 242 CG TRP A2027 -2.743 -5.073 0.268 1.00 1.21 C ATOM 243 CD1 TRP A2027 -2.534 -6.162 1.022 1.00 21.12 C ATOM 244 CD2 TRP A2027 -1.454 -4.437 0.147 1.00 43.13 C ATOM 245 NE1 TRP A2027 -1.209 -6.271 1.393 1.00 13.03 N ATOM 246 CE2 TRP A2027 -0.531 -5.190 0.845 1.00 64.52 C ATOM 247 CE3 TRP A2027 -1.080 -3.262 -0.530 1.00 20.04 C ATOM 248 CZ2 TRP A2027 0.825 -4.852 0.932 1.00 34.21 C ATOM 249 CZ3 TRP A2027 0.278 -2.939 -0.433 1.00 5.42 C ATOM 250 CH2 TRP A2027 1.220 -3.687 0.266 1.00 62.44 C ATOM 0 H TRP A2027 -5.358 -5.908 1.341 1.00 51.23 H new ATOM 0 HA TRP A2027 -4.437 -3.180 1.170 1.00 51.00 H new ATOM 0 HB2 TRP A2027 -4.559 -5.434 -0.818 1.00 1.11 H new ATOM 0 HB3 TRP A2027 -3.840 -3.866 -1.128 1.00 1.11 H new ATOM 0 HD1 TRP A2027 -3.305 -6.865 1.303 1.00 21.12 H new ATOM 0 HE1 TRP A2027 -0.802 -7.011 1.965 1.00 13.03 H new ATOM 0 HE3 TRP A2027 -1.785 -2.657 -1.081 1.00 20.04 H new ATOM 0 HZ2 TRP A2027 1.528 -5.458 1.484 1.00 34.21 H new ATOM 0 HZ3 TRP A2027 0.619 -2.046 -0.936 1.00 5.42 H new ATOM 0 HH2 TRP A2027 2.252 -3.370 0.294 1.00 62.44 H new ATOM 261 N HIS A2028 -7.126 -4.140 -0.487 1.00 44.45 N ATOM 262 CA HIS A2028 -8.330 -3.656 -1.143 1.00 40.43 C ATOM 263 C HIS A2028 -9.110 -2.756 -0.183 1.00 51.45 C ATOM 264 O HIS A2028 -9.370 -1.593 -0.490 1.00 12.03 O ATOM 265 CB HIS A2028 -9.164 -4.822 -1.675 1.00 14.04 C ATOM 266 CG HIS A2028 -10.655 -4.612 -1.561 1.00 52.32 C ATOM 267 ND1 HIS A2028 -11.413 -4.052 -2.574 1.00 21.41 N ATOM 268 CD2 HIS A2028 -11.520 -4.893 -0.543 1.00 2.13 C ATOM 269 CE1 HIS A2028 -12.676 -4.002 -2.175 1.00 43.52 C ATOM 270 NE2 HIS A2028 -12.739 -4.523 -0.916 1.00 22.24 N ATOM 0 H HIS A2028 -7.042 -5.156 -0.445 1.00 44.45 H new ATOM 0 HA HIS A2028 -8.060 -3.054 -2.011 1.00 40.43 H new ATOM 0 HB2 HIS A2028 -8.910 -4.989 -2.722 1.00 14.04 H new ATOM 0 HB3 HIS A2028 -8.892 -5.727 -1.132 1.00 14.04 H new ATOM 0 HD2 HIS A2028 -11.257 -5.340 0.404 1.00 2.13 H new ATOM 0 HE1 HIS A2028 -13.508 -3.617 -2.746 1.00 43.52 H new ATOM 0 HE2 HIS A2028 -13.585 -4.614 -0.353 1.00 22.24 H new ATOM 279 N GLU A2029 -9.463 -3.327 0.958 1.00 0.22 N ATOM 280 CA GLU A2029 -10.210 -2.592 1.964 1.00 41.13 C ATOM 281 C GLU A2029 -9.349 -1.467 2.545 1.00 14.34 C ATOM 282 O GLU A2029 -9.859 -0.396 2.870 1.00 55.33 O ATOM 283 CB GLU A2029 -10.711 -3.525 3.068 1.00 24.42 C ATOM 284 CG GLU A2029 -9.554 -4.004 3.949 1.00 51.13 C ATOM 285 CD GLU A2029 -9.423 -3.132 5.200 1.00 21.51 C ATOM 286 OE1 GLU A2029 -10.438 -2.785 5.822 1.00 52.02 O ATOM 287 OE2 GLU A2029 -8.213 -2.819 5.521 1.00 70.23 O ATOM 0 H GLU A2029 -9.245 -4.291 1.209 1.00 0.22 H new ATOM 0 HA GLU A2029 -11.084 -2.147 1.487 1.00 41.13 H new ATOM 0 HB2 GLU A2029 -11.448 -3.006 3.680 1.00 24.42 H new ATOM 0 HB3 GLU A2029 -11.214 -4.384 2.623 1.00 24.42 H new ATOM 0 HG2 GLU A2029 -9.718 -5.042 4.240 1.00 51.13 H new ATOM 0 HG3 GLU A2029 -8.624 -3.975 3.382 1.00 51.13 H new ATOM 295 N GLY A2030 -8.060 -1.750 2.659 1.00 12.12 N ATOM 296 CA GLY A2030 -7.126 -0.777 3.197 1.00 1.31 C ATOM 297 C GLY A2030 -7.087 0.483 2.331 1.00 41.11 C ATOM 298 O GLY A2030 -7.444 1.566 2.789 1.00 55.13 O ATOM 0 H GLY A2030 -7.641 -2.639 2.388 1.00 12.12 H new ATOM 0 HA2 GLY A2030 -7.415 -0.514 4.215 1.00 1.31 H new ATOM 0 HA3 GLY A2030 -6.130 -1.216 3.252 1.00 1.31 H new ATOM 302 N LEU A2031 -6.652 0.298 1.093 1.00 14.52 N ATOM 303 CA LEU A2031 -6.563 1.406 0.158 1.00 42.34 C ATOM 304 C LEU A2031 -7.937 2.065 0.020 1.00 23.10 C ATOM 305 O LEU A2031 -8.036 3.284 -0.106 1.00 11.24 O ATOM 306 CB LEU A2031 -5.969 0.939 -1.172 1.00 34.01 C ATOM 307 CG LEU A2031 -5.081 1.948 -1.903 1.00 44.45 C ATOM 308 CD1 LEU A2031 -4.083 2.596 -0.942 1.00 1.34 C ATOM 309 CD2 LEU A2031 -4.385 1.300 -3.103 1.00 10.14 C ATOM 0 H LEU A2031 -6.357 -0.603 0.716 1.00 14.52 H new ATOM 0 HA LEU A2031 -5.881 2.168 0.536 1.00 42.34 H new ATOM 0 HB2 LEU A2031 -5.385 0.037 -0.989 1.00 34.01 H new ATOM 0 HB3 LEU A2031 -6.788 0.660 -1.834 1.00 34.01 H new ATOM 0 HG LEU A2031 -5.717 2.743 -2.292 1.00 44.45 H new ATOM 0 HD11 LEU A2031 -3.464 3.309 -1.487 1.00 1.34 H new ATOM 0 HD12 LEU A2031 -4.624 3.115 -0.151 1.00 1.34 H new ATOM 0 HD13 LEU A2031 -3.449 1.826 -0.503 1.00 1.34 H new ATOM 0 HD21 LEU A2031 -3.760 2.039 -3.604 1.00 10.14 H new ATOM 0 HD22 LEU A2031 -3.764 0.473 -2.760 1.00 10.14 H new ATOM 0 HD23 LEU A2031 -5.135 0.926 -3.800 1.00 10.14 H new ATOM 321 N GLU A2032 -8.962 1.227 0.049 1.00 75.45 N ATOM 322 CA GLU A2032 -10.328 1.713 -0.071 1.00 30.11 C ATOM 323 C GLU A2032 -10.593 2.811 0.960 1.00 61.01 C ATOM 324 O GLU A2032 -11.026 3.907 0.607 1.00 40.01 O ATOM 325 CB GLU A2032 -11.332 0.566 0.079 1.00 51.12 C ATOM 326 CG GLU A2032 -11.634 -0.077 -1.277 1.00 13.43 C ATOM 327 CD GLU A2032 -12.478 0.853 -2.150 1.00 41.20 C ATOM 328 OE1 GLU A2032 -11.926 1.711 -2.854 1.00 55.33 O ATOM 329 OE2 GLU A2032 -13.751 0.659 -2.080 1.00 73.34 O ATOM 0 H GLU A2032 -8.876 0.216 0.154 1.00 75.45 H new ATOM 0 HA GLU A2032 -10.456 2.138 -1.066 1.00 30.11 H new ATOM 0 HB2 GLU A2032 -10.933 -0.185 0.761 1.00 51.12 H new ATOM 0 HB3 GLU A2032 -12.255 0.941 0.522 1.00 51.12 H new ATOM 0 HG2 GLU A2032 -10.700 -0.312 -1.788 1.00 13.43 H new ATOM 0 HG3 GLU A2032 -12.162 -1.019 -1.127 1.00 13.43 H new ATOM 337 N GLU A2033 -10.323 2.480 2.215 1.00 42.21 N ATOM 338 CA GLU A2033 -10.527 3.426 3.298 1.00 34.24 C ATOM 339 C GLU A2033 -9.641 4.657 3.102 1.00 2.14 C ATOM 340 O GLU A2033 -10.121 5.788 3.165 1.00 62.54 O ATOM 341 CB GLU A2033 -10.261 2.769 4.655 1.00 51.03 C ATOM 342 CG GLU A2033 -11.149 3.379 5.743 1.00 72.01 C ATOM 343 CD GLU A2033 -11.264 4.895 5.569 1.00 1.55 C ATOM 344 OE1 GLU A2033 -12.049 5.367 4.736 1.00 74.12 O ATOM 345 OE2 GLU A2033 -10.498 5.590 6.343 1.00 70.44 O ATOM 0 H GLU A2033 -9.965 1.570 2.505 1.00 42.21 H new ATOM 0 HA GLU A2033 -11.569 3.747 3.283 1.00 34.24 H new ATOM 0 HB2 GLU A2033 -10.447 1.697 4.587 1.00 51.03 H new ATOM 0 HB3 GLU A2033 -9.212 2.894 4.924 1.00 51.03 H new ATOM 0 HG2 GLU A2033 -12.141 2.928 5.703 1.00 72.01 H new ATOM 0 HG3 GLU A2033 -10.735 3.152 6.725 1.00 72.01 H new ATOM 353 N ALA A2034 -8.363 4.396 2.869 1.00 2.02 N ATOM 354 CA ALA A2034 -7.405 5.470 2.664 1.00 4.04 C ATOM 355 C ALA A2034 -7.893 6.372 1.528 1.00 41.31 C ATOM 356 O ALA A2034 -7.784 7.593 1.611 1.00 4.20 O ATOM 357 CB ALA A2034 -6.023 4.875 2.385 1.00 71.11 C ATOM 0 H ALA A2034 -7.968 3.457 2.818 1.00 2.02 H new ATOM 0 HA ALA A2034 -7.320 6.085 3.560 1.00 4.04 H new ATOM 0 HB1 ALA A2034 -5.305 5.680 2.231 1.00 71.11 H new ATOM 0 HB2 ALA A2034 -5.710 4.267 3.234 1.00 71.11 H new ATOM 0 HB3 ALA A2034 -6.068 4.253 1.491 1.00 71.11 H new ATOM 363 N SER A2035 -8.419 5.733 0.494 1.00 63.04 N ATOM 364 CA SER A2035 -8.924 6.462 -0.659 1.00 30.54 C ATOM 365 C SER A2035 -10.233 7.170 -0.298 1.00 11.33 C ATOM 366 O SER A2035 -10.373 8.372 -0.518 1.00 24.31 O ATOM 367 CB SER A2035 -9.137 5.529 -1.851 1.00 13.43 C ATOM 368 OG SER A2035 -8.157 5.727 -2.866 1.00 41.14 O ATOM 0 H SER A2035 -8.507 4.719 0.429 1.00 63.04 H new ATOM 0 HA SER A2035 -8.181 7.207 -0.944 1.00 30.54 H new ATOM 0 HB2 SER A2035 -9.103 4.494 -1.512 1.00 13.43 H new ATOM 0 HB3 SER A2035 -10.130 5.695 -2.269 1.00 13.43 H new ATOM 0 HG SER A2035 -7.346 6.106 -2.468 1.00 41.14 H new ATOM 374 N ARG A2036 -11.156 6.394 0.252 1.00 44.34 N ATOM 375 CA ARG A2036 -12.447 6.931 0.643 1.00 32.31 C ATOM 376 C ARG A2036 -12.262 8.196 1.485 1.00 53.41 C ATOM 377 O ARG A2036 -12.869 9.228 1.203 1.00 44.12 O ATOM 378 CB ARG A2036 -13.249 5.905 1.448 1.00 61.04 C ATOM 379 CG ARG A2036 -14.641 5.703 0.845 1.00 63.21 C ATOM 380 CD ARG A2036 -15.357 4.521 1.502 1.00 41.13 C ATOM 381 NE ARG A2036 -16.411 5.013 2.415 1.00 54.54 N ATOM 382 CZ ARG A2036 -17.444 4.262 2.853 1.00 72.31 C ATOM 383 NH1 ARG A2036 -17.568 2.976 2.464 1.00 21.31 N ATOM 384 NH2 ARG A2036 -18.330 4.805 3.668 1.00 21.31 N ATOM 0 H ARG A2036 -11.035 5.398 0.436 1.00 44.34 H new ATOM 0 HA ARG A2036 -12.996 7.172 -0.267 1.00 32.31 H new ATOM 0 HB2 ARG A2036 -12.715 4.955 1.467 1.00 61.04 H new ATOM 0 HB3 ARG A2036 -13.341 6.240 2.481 1.00 61.04 H new ATOM 0 HG2 ARG A2036 -15.233 6.609 0.975 1.00 63.21 H new ATOM 0 HG3 ARG A2036 -14.555 5.530 -0.228 1.00 63.21 H new ATOM 0 HD2 ARG A2036 -15.797 3.881 0.737 1.00 41.13 H new ATOM 0 HD3 ARG A2036 -14.641 3.913 2.054 1.00 41.13 H new ATOM 0 HE ARG A2036 -16.354 5.980 2.734 1.00 54.54 H new ATOM 0 HH11 ARG A2036 -16.879 2.565 1.835 1.00 21.31 H new ATOM 0 HH12 ARG A2036 -18.351 2.415 2.799 1.00 21.31 H new ATOM 0 HH21 ARG A2036 -18.228 5.778 3.957 1.00 21.31 H new ATOM 0 HH22 ARG A2036 -19.116 4.252 4.008 1.00 21.31 H new ATOM 396 N LEU A2037 -11.422 8.073 2.502 1.00 14.41 N ATOM 397 CA LEU A2037 -11.150 9.193 3.386 1.00 15.41 C ATOM 398 C LEU A2037 -10.367 10.263 2.623 1.00 52.35 C ATOM 399 O LEU A2037 -10.680 11.450 2.712 1.00 72.02 O ATOM 400 CB LEU A2037 -10.450 8.713 4.661 1.00 41.22 C ATOM 401 CG LEU A2037 -8.980 8.319 4.509 1.00 3.31 C ATOM 402 CD1 LEU A2037 -8.067 9.540 4.644 1.00 42.10 C ATOM 403 CD2 LEU A2037 -8.604 7.212 5.497 1.00 21.32 C ATOM 0 H LEU A2037 -10.921 7.215 2.733 1.00 14.41 H new ATOM 0 HA LEU A2037 -12.082 9.652 3.714 1.00 15.41 H new ATOM 0 HB2 LEU A2037 -10.519 9.503 5.409 1.00 41.22 H new ATOM 0 HB3 LEU A2037 -10.997 7.855 5.052 1.00 41.22 H new ATOM 0 HG LEU A2037 -8.837 7.919 3.505 1.00 3.31 H new ATOM 0 HD11 LEU A2037 -7.028 9.231 4.532 1.00 42.10 H new ATOM 0 HD12 LEU A2037 -8.315 10.267 3.871 1.00 42.10 H new ATOM 0 HD13 LEU A2037 -8.207 9.992 5.626 1.00 42.10 H new ATOM 0 HD21 LEU A2037 -7.554 6.950 5.368 1.00 21.32 H new ATOM 0 HD22 LEU A2037 -8.768 7.563 6.516 1.00 21.32 H new ATOM 0 HD23 LEU A2037 -9.222 6.334 5.312 1.00 21.32 H new ATOM 415 N TYR A2038 -9.366 9.805 1.886 1.00 22.31 N ATOM 416 CA TYR A2038 -8.537 10.708 1.105 1.00 30.40 C ATOM 417 C TYR A2038 -9.392 11.578 0.181 1.00 21.22 C ATOM 418 O TYR A2038 -9.223 12.796 0.137 1.00 10.20 O ATOM 419 CB TYR A2038 -7.631 9.818 0.253 1.00 1.32 C ATOM 420 CG TYR A2038 -6.990 10.539 -0.935 1.00 64.33 C ATOM 421 CD1 TYR A2038 -6.090 11.562 -0.718 1.00 31.14 C ATOM 422 CD2 TYR A2038 -7.312 10.166 -2.224 1.00 43.32 C ATOM 423 CE1 TYR A2038 -5.488 12.241 -1.837 1.00 14.04 C ATOM 424 CE2 TYR A2038 -6.709 10.844 -3.343 1.00 40.52 C ATOM 425 CZ TYR A2038 -5.826 11.847 -3.094 1.00 52.51 C ATOM 426 OH TYR A2038 -5.256 12.489 -4.149 1.00 72.40 O ATOM 0 H TYR A2038 -9.110 8.820 1.813 1.00 22.31 H new ATOM 0 HA TYR A2038 -7.974 11.374 1.759 1.00 30.40 H new ATOM 0 HB2 TYR A2038 -6.843 9.409 0.885 1.00 1.32 H new ATOM 0 HB3 TYR A2038 -8.213 8.974 -0.118 1.00 1.32 H new ATOM 0 HD1 TYR A2038 -5.837 11.854 0.291 1.00 31.14 H new ATOM 0 HD2 TYR A2038 -8.017 9.365 -2.394 1.00 43.32 H new ATOM 0 HE1 TYR A2038 -4.784 13.045 -1.681 1.00 14.04 H new ATOM 0 HE2 TYR A2038 -6.953 10.562 -4.357 1.00 40.52 H new ATOM 0 HH TYR A2038 -5.589 12.102 -4.986 1.00 72.40 H new ATOM 436 N PHE A2039 -10.294 10.920 -0.532 1.00 21.33 N ATOM 437 CA PHE A2039 -11.176 11.617 -1.450 1.00 24.01 C ATOM 438 C PHE A2039 -12.315 12.312 -0.699 1.00 5.51 C ATOM 439 O PHE A2039 -12.639 13.463 -0.982 1.00 11.32 O ATOM 440 CB PHE A2039 -11.769 10.565 -2.390 1.00 2.33 C ATOM 441 CG PHE A2039 -10.776 10.023 -3.422 1.00 32.11 C ATOM 442 CD1 PHE A2039 -10.262 10.850 -4.371 1.00 12.42 C ATOM 443 CD2 PHE A2039 -10.409 8.713 -3.389 1.00 52.55 C ATOM 444 CE1 PHE A2039 -9.343 10.347 -5.328 1.00 31.11 C ATOM 445 CE2 PHE A2039 -9.488 8.212 -4.346 1.00 73.11 C ATOM 446 CZ PHE A2039 -8.975 9.038 -5.295 1.00 52.40 C ATOM 0 H PHE A2039 -10.433 9.910 -0.492 1.00 21.33 H new ATOM 0 HA PHE A2039 -10.617 12.379 -1.993 1.00 24.01 H new ATOM 0 HB2 PHE A2039 -12.149 9.734 -1.796 1.00 2.33 H new ATOM 0 HB3 PHE A2039 -12.621 10.999 -2.913 1.00 2.33 H new ATOM 0 HD1 PHE A2039 -10.553 11.890 -4.396 1.00 12.42 H new ATOM 0 HD2 PHE A2039 -10.818 8.056 -2.636 1.00 52.55 H new ATOM 0 HE1 PHE A2039 -8.936 11.004 -6.083 1.00 31.11 H new ATOM 0 HE2 PHE A2039 -9.195 7.173 -4.320 1.00 73.11 H new ATOM 0 HZ PHE A2039 -8.275 8.655 -6.023 1.00 52.40 H new ATOM 456 N GLY A2040 -12.887 11.580 0.246 1.00 74.44 N ATOM 457 CA GLY A2040 -13.983 12.110 1.040 1.00 12.24 C ATOM 458 C GLY A2040 -13.463 13.037 2.140 1.00 54.32 C ATOM 459 O GLY A2040 -13.629 14.255 2.061 1.00 32.23 O ATOM 0 H GLY A2040 -12.613 10.626 0.480 1.00 74.44 H new ATOM 0 HA2 GLY A2040 -14.673 12.655 0.396 1.00 12.24 H new ATOM 0 HA3 GLY A2040 -14.544 11.289 1.486 1.00 12.24 H new ATOM 463 N GLU A2041 -12.843 12.429 3.140 1.00 10.51 N ATOM 464 CA GLU A2041 -12.298 13.185 4.255 1.00 70.34 C ATOM 465 C GLU A2041 -11.375 14.293 3.743 1.00 1.42 C ATOM 466 O GLU A2041 -11.098 15.256 4.458 1.00 22.51 O ATOM 467 CB GLU A2041 -11.561 12.267 5.232 1.00 32.10 C ATOM 468 CG GLU A2041 -11.253 12.996 6.541 1.00 53.01 C ATOM 469 CD GLU A2041 -12.518 13.160 7.389 1.00 22.14 C ATOM 470 OE1 GLU A2041 -13.106 14.249 7.418 1.00 44.15 O ATOM 471 OE2 GLU A2041 -12.882 12.102 8.033 1.00 73.25 O ATOM 0 H GLU A2041 -12.706 11.420 3.202 1.00 10.51 H new ATOM 0 HA GLU A2041 -13.125 13.647 4.795 1.00 70.34 H new ATOM 0 HB2 GLU A2041 -12.168 11.385 5.437 1.00 32.10 H new ATOM 0 HB3 GLU A2041 -10.633 11.917 4.779 1.00 32.10 H new ATOM 0 HG2 GLU A2041 -10.503 12.439 7.104 1.00 53.01 H new ATOM 0 HG3 GLU A2041 -10.827 13.975 6.324 1.00 53.01 H new ATOM 479 N ARG A2042 -10.925 14.121 2.509 1.00 5.42 N ATOM 480 CA ARG A2042 -10.039 15.096 1.892 1.00 10.01 C ATOM 481 C ARG A2042 -8.753 15.235 2.709 1.00 22.03 C ATOM 482 O ARG A2042 -8.103 16.278 2.677 1.00 50.23 O ATOM 483 CB ARG A2042 -10.716 16.464 1.783 1.00 41.04 C ATOM 484 CG ARG A2042 -11.372 16.642 0.412 1.00 24.34 C ATOM 485 CD ARG A2042 -10.341 16.516 -0.710 1.00 62.32 C ATOM 486 NE ARG A2042 -10.842 17.177 -1.935 1.00 72.14 N ATOM 487 CZ ARG A2042 -10.049 17.638 -2.926 1.00 31.44 C ATOM 488 NH1 ARG A2042 -8.708 17.511 -2.844 1.00 62.11 N ATOM 489 NH2 ARG A2042 -10.605 18.214 -3.977 1.00 31.33 N ATOM 0 H ARG A2042 -11.157 13.322 1.919 1.00 5.42 H new ATOM 0 HA ARG A2042 -9.801 14.740 0.890 1.00 10.01 H new ATOM 0 HB2 ARG A2042 -11.468 16.565 2.566 1.00 41.04 H new ATOM 0 HB3 ARG A2042 -9.980 17.252 1.943 1.00 41.04 H new ATOM 0 HG2 ARG A2042 -12.153 15.893 0.279 1.00 24.34 H new ATOM 0 HG3 ARG A2042 -11.854 17.618 0.360 1.00 24.34 H new ATOM 0 HD2 ARG A2042 -9.399 16.969 -0.402 1.00 62.32 H new ATOM 0 HD3 ARG A2042 -10.138 15.464 -0.912 1.00 62.32 H new ATOM 0 HE ARG A2042 -11.850 17.292 -2.038 1.00 72.14 H new ATOM 0 HH11 ARG A2042 -8.287 17.064 -2.029 1.00 62.11 H new ATOM 0 HH12 ARG A2042 -8.116 17.862 -3.597 1.00 62.11 H new ATOM 0 HH21 ARG A2042 -11.619 18.305 -4.031 1.00 31.33 H new ATOM 0 HH22 ARG A2042 -10.020 18.567 -4.734 1.00 31.33 H new ATOM 501 N ASN A2043 -8.425 14.167 3.423 1.00 2.23 N ATOM 502 CA ASN A2043 -7.228 14.158 4.247 1.00 25.12 C ATOM 503 C ASN A2043 -6.348 12.971 3.848 1.00 73.21 C ATOM 504 O ASN A2043 -6.781 11.823 3.917 1.00 4.20 O ATOM 505 CB ASN A2043 -7.581 14.007 5.728 1.00 13.34 C ATOM 506 CG ASN A2043 -7.466 15.347 6.460 1.00 64.35 C ATOM 507 OD1 ASN A2043 -7.078 15.423 7.612 1.00 0.41 O ATOM 508 ND2 ASN A2043 -7.827 16.395 5.724 1.00 62.40 N ATOM 0 H ASN A2043 -8.967 13.303 3.448 1.00 2.23 H new ATOM 0 HA ASN A2043 -6.706 15.103 4.094 1.00 25.12 H new ATOM 0 HB2 ASN A2043 -8.596 13.621 5.826 1.00 13.34 H new ATOM 0 HB3 ASN A2043 -6.917 13.278 6.191 1.00 13.34 H new ATOM 0 HD21 ASN A2043 -7.788 17.334 6.120 1.00 62.40 H new ATOM 0 HD22 ASN A2043 -8.143 16.259 4.764 1.00 62.40 H new ATOM 515 N VAL A2044 -5.131 13.291 3.437 1.00 10.51 N ATOM 516 CA VAL A2044 -4.186 12.265 3.027 1.00 41.54 C ATOM 517 C VAL A2044 -3.601 11.590 4.268 1.00 20.22 C ATOM 518 O VAL A2044 -3.231 10.417 4.226 1.00 70.14 O ATOM 519 CB VAL A2044 -3.116 12.873 2.118 1.00 53.44 C ATOM 520 CG1 VAL A2044 -3.742 13.455 0.848 1.00 63.11 C ATOM 521 CG2 VAL A2044 -2.302 13.933 2.861 1.00 3.12 C ATOM 0 H VAL A2044 -4.776 14.246 3.379 1.00 10.51 H new ATOM 0 HA VAL A2044 -4.690 11.494 2.445 1.00 41.54 H new ATOM 0 HB VAL A2044 -2.436 12.074 1.822 1.00 53.44 H new ATOM 0 HG11 VAL A2044 -2.960 13.881 0.219 1.00 63.11 H new ATOM 0 HG12 VAL A2044 -4.257 12.665 0.301 1.00 63.11 H new ATOM 0 HG13 VAL A2044 -4.455 14.234 1.118 1.00 63.11 H new ATOM 0 HG21 VAL A2044 -1.549 14.349 2.192 1.00 3.12 H new ATOM 0 HG22 VAL A2044 -2.965 14.729 3.200 1.00 3.12 H new ATOM 0 HG23 VAL A2044 -1.811 13.478 3.721 1.00 3.12 H new ATOM 531 N LYS A2045 -3.535 12.358 5.346 1.00 60.44 N ATOM 532 CA LYS A2045 -3.002 11.849 6.598 1.00 64.33 C ATOM 533 C LYS A2045 -3.645 10.495 6.908 1.00 5.10 C ATOM 534 O LYS A2045 -2.970 9.571 7.361 1.00 33.01 O ATOM 535 CB LYS A2045 -3.174 12.881 7.712 1.00 15.25 C ATOM 536 CG LYS A2045 -4.489 13.647 7.556 1.00 24.23 C ATOM 537 CD LYS A2045 -4.255 15.011 6.905 1.00 40.41 C ATOM 538 CE LYS A2045 -4.045 16.094 7.966 1.00 61.30 C ATOM 539 NZ LYS A2045 -5.113 16.032 8.988 1.00 61.34 N ATOM 0 H LYS A2045 -3.842 13.330 5.378 1.00 60.44 H new ATOM 0 HA LYS A2045 -1.928 11.681 6.515 1.00 64.33 H new ATOM 0 HB2 LYS A2045 -3.153 12.382 8.681 1.00 15.25 H new ATOM 0 HB3 LYS A2045 -2.338 13.580 7.696 1.00 15.25 H new ATOM 0 HG2 LYS A2045 -5.183 13.065 6.950 1.00 24.23 H new ATOM 0 HG3 LYS A2045 -4.954 13.781 8.533 1.00 24.23 H new ATOM 0 HD2 LYS A2045 -3.384 14.962 6.252 1.00 40.41 H new ATOM 0 HD3 LYS A2045 -5.108 15.271 6.279 1.00 40.41 H new ATOM 0 HE2 LYS A2045 -3.072 15.963 8.440 1.00 61.30 H new ATOM 0 HE3 LYS A2045 -4.041 17.077 7.495 1.00 61.30 H new ATOM 0 HZ1 LYS A2045 -5.223 16.966 9.432 1.00 61.34 H new ATOM 0 HZ2 LYS A2045 -6.009 15.755 8.538 1.00 61.34 H new ATOM 0 HZ3 LYS A2045 -4.859 15.331 9.713 1.00 61.34 H new ATOM 552 N GLY A2046 -4.943 10.419 6.649 1.00 13.42 N ATOM 553 CA GLY A2046 -5.684 9.195 6.896 1.00 63.04 C ATOM 554 C GLY A2046 -5.084 8.025 6.115 1.00 24.45 C ATOM 555 O GLY A2046 -4.817 6.966 6.681 1.00 1.33 O ATOM 0 H GLY A2046 -5.499 11.186 6.271 1.00 13.42 H new ATOM 0 HA2 GLY A2046 -5.674 8.968 7.962 1.00 63.04 H new ATOM 0 HA3 GLY A2046 -6.726 9.332 6.609 1.00 63.04 H new ATOM 559 N MET A2047 -4.891 8.253 4.824 1.00 2.11 N ATOM 560 CA MET A2047 -4.327 7.231 3.959 1.00 32.51 C ATOM 561 C MET A2047 -3.005 6.705 4.520 1.00 63.11 C ATOM 562 O MET A2047 -2.773 5.496 4.543 1.00 74.04 O ATOM 563 CB MET A2047 -4.093 7.815 2.564 1.00 44.11 C ATOM 564 CG MET A2047 -3.094 6.965 1.775 1.00 2.02 C ATOM 565 SD MET A2047 -1.426 7.465 2.165 1.00 14.53 S ATOM 566 CE MET A2047 -1.554 9.224 1.880 1.00 30.42 C ATOM 0 H MET A2047 -5.115 9.131 4.356 1.00 2.11 H new ATOM 0 HA MET A2047 -5.031 6.401 3.902 1.00 32.51 H new ATOM 0 HB2 MET A2047 -5.038 7.867 2.024 1.00 44.11 H new ATOM 0 HB3 MET A2047 -3.719 8.835 2.651 1.00 44.11 H new ATOM 0 HG2 MET A2047 -3.232 5.911 2.015 1.00 2.02 H new ATOM 0 HG3 MET A2047 -3.275 7.075 0.706 1.00 2.02 H new ATOM 0 HE1 MET A2047 -0.664 9.573 1.356 1.00 30.42 H new ATOM 0 HE2 MET A2047 -2.436 9.431 1.274 1.00 30.42 H new ATOM 0 HE3 MET A2047 -1.640 9.742 2.835 1.00 30.42 H new ATOM 576 N PHE A2048 -2.174 7.637 4.961 1.00 22.04 N ATOM 577 CA PHE A2048 -0.880 7.281 5.521 1.00 55.34 C ATOM 578 C PHE A2048 -1.044 6.497 6.825 1.00 50.52 C ATOM 579 O PHE A2048 -0.269 5.585 7.108 1.00 62.55 O ATOM 580 CB PHE A2048 -0.146 8.590 5.817 1.00 54.22 C ATOM 581 CG PHE A2048 0.425 9.278 4.576 1.00 30.32 C ATOM 582 CD1 PHE A2048 1.058 8.544 3.622 1.00 42.20 C ATOM 583 CD2 PHE A2048 0.299 10.625 4.424 1.00 14.13 C ATOM 584 CE1 PHE A2048 1.588 9.182 2.470 1.00 22.23 C ATOM 585 CE2 PHE A2048 0.829 11.263 3.273 1.00 20.55 C ATOM 586 CZ PHE A2048 1.462 10.527 2.320 1.00 2.52 C ATOM 0 H PHE A2048 -2.370 8.638 4.942 1.00 22.04 H new ATOM 0 HA PHE A2048 -0.330 6.655 4.818 1.00 55.34 H new ATOM 0 HB2 PHE A2048 -0.832 9.274 6.316 1.00 54.22 H new ATOM 0 HB3 PHE A2048 0.667 8.389 6.515 1.00 54.22 H new ATOM 0 HD1 PHE A2048 1.157 7.475 3.741 1.00 42.20 H new ATOM 0 HD2 PHE A2048 -0.205 11.208 5.180 1.00 14.13 H new ATOM 0 HE1 PHE A2048 2.091 8.599 1.713 1.00 22.23 H new ATOM 0 HE2 PHE A2048 0.730 12.332 3.154 1.00 20.55 H new ATOM 0 HZ PHE A2048 1.865 11.012 1.443 1.00 2.52 H new ATOM 596 N GLU A2049 -2.060 6.882 7.585 1.00 2.13 N ATOM 597 CA GLU A2049 -2.336 6.225 8.852 1.00 1.05 C ATOM 598 C GLU A2049 -2.995 4.865 8.612 1.00 44.32 C ATOM 599 O GLU A2049 -3.071 4.040 9.521 1.00 44.21 O ATOM 600 CB GLU A2049 -3.207 7.107 9.749 1.00 44.24 C ATOM 601 CG GLU A2049 -2.557 8.474 9.970 1.00 70.31 C ATOM 602 CD GLU A2049 -1.686 8.466 11.229 1.00 11.41 C ATOM 603 OE1 GLU A2049 -1.105 7.427 11.576 1.00 1.00 O ATOM 604 OE2 GLU A2049 -1.623 9.594 11.854 1.00 72.20 O ATOM 0 H GLU A2049 -2.701 7.639 7.348 1.00 2.13 H new ATOM 0 HA GLU A2049 -1.390 6.062 9.368 1.00 1.05 H new ATOM 0 HB2 GLU A2049 -4.189 7.236 9.295 1.00 44.24 H new ATOM 0 HB3 GLU A2049 -3.362 6.615 10.709 1.00 44.24 H new ATOM 0 HG2 GLU A2049 -1.949 8.737 9.104 1.00 70.31 H new ATOM 0 HG3 GLU A2049 -3.329 9.238 10.062 1.00 70.31 H new ATOM 612 N VAL A2050 -3.456 4.674 7.384 1.00 42.43 N ATOM 613 CA VAL A2050 -4.105 3.429 7.015 1.00 62.43 C ATOM 614 C VAL A2050 -3.044 2.402 6.620 1.00 64.34 C ATOM 615 O VAL A2050 -3.124 1.236 7.010 1.00 13.12 O ATOM 616 CB VAL A2050 -5.132 3.683 5.910 1.00 42.51 C ATOM 617 CG1 VAL A2050 -5.530 2.376 5.219 1.00 54.23 C ATOM 618 CG2 VAL A2050 -6.362 4.408 6.459 1.00 65.34 C ATOM 0 H VAL A2050 -3.392 5.361 6.633 1.00 42.43 H new ATOM 0 HA VAL A2050 -4.653 3.018 7.863 1.00 62.43 H new ATOM 0 HB VAL A2050 -4.667 4.329 5.165 1.00 42.51 H new ATOM 0 HG11 VAL A2050 -6.261 2.585 4.438 1.00 54.23 H new ATOM 0 HG12 VAL A2050 -4.647 1.915 4.776 1.00 54.23 H new ATOM 0 HG13 VAL A2050 -5.966 1.696 5.951 1.00 54.23 H new ATOM 0 HG21 VAL A2050 -7.076 4.576 5.652 1.00 65.34 H new ATOM 0 HG22 VAL A2050 -6.827 3.799 7.234 1.00 65.34 H new ATOM 0 HG23 VAL A2050 -6.061 5.366 6.882 1.00 65.34 H new ATOM 628 N LEU A2051 -2.070 2.869 5.851 1.00 33.34 N ATOM 629 CA LEU A2051 -0.993 2.005 5.398 1.00 74.13 C ATOM 630 C LEU A2051 -0.009 1.780 6.548 1.00 72.11 C ATOM 631 O LEU A2051 0.405 0.650 6.803 1.00 22.10 O ATOM 632 CB LEU A2051 -0.344 2.575 4.135 1.00 70.30 C ATOM 633 CG LEU A2051 -1.273 2.777 2.936 1.00 34.41 C ATOM 634 CD1 LEU A2051 -2.737 2.582 3.337 1.00 24.53 C ATOM 635 CD2 LEU A2051 -1.037 4.141 2.283 1.00 32.15 C ATOM 0 H LEU A2051 -2.005 3.835 5.530 1.00 33.34 H new ATOM 0 HA LEU A2051 -1.382 1.027 5.114 1.00 74.13 H new ATOM 0 HB2 LEU A2051 0.109 3.535 4.384 1.00 70.30 H new ATOM 0 HB3 LEU A2051 0.465 1.910 3.834 1.00 70.30 H new ATOM 0 HG LEU A2051 -1.038 2.017 2.191 1.00 34.41 H new ATOM 0 HD11 LEU A2051 -3.376 2.731 2.466 1.00 24.53 H new ATOM 0 HD12 LEU A2051 -2.878 1.572 3.721 1.00 24.53 H new ATOM 0 HD13 LEU A2051 -3.002 3.304 4.109 1.00 24.53 H new ATOM 0 HD21 LEU A2051 -1.710 4.259 1.434 1.00 32.15 H new ATOM 0 HD22 LEU A2051 -1.228 4.930 3.010 1.00 32.15 H new ATOM 0 HD23 LEU A2051 -0.005 4.206 1.940 1.00 32.15 H new ATOM 647 N GLU A2052 0.337 2.874 7.210 1.00 24.55 N ATOM 648 CA GLU A2052 1.265 2.810 8.325 1.00 15.14 C ATOM 649 C GLU A2052 1.061 1.513 9.112 1.00 41.12 C ATOM 650 O GLU A2052 2.003 0.748 9.309 1.00 3.14 O ATOM 651 CB GLU A2052 1.115 4.031 9.235 1.00 75.24 C ATOM 652 CG GLU A2052 2.335 4.949 9.128 1.00 41.33 C ATOM 653 CD GLU A2052 3.185 4.881 10.398 1.00 45.34 C ATOM 654 OE1 GLU A2052 2.776 5.402 11.446 1.00 33.23 O ATOM 655 OE2 GLU A2052 4.308 4.259 10.269 1.00 72.13 O ATOM 0 H GLU A2052 -0.009 3.809 6.995 1.00 24.55 H new ATOM 0 HA GLU A2052 2.280 2.816 7.927 1.00 15.14 H new ATOM 0 HB2 GLU A2052 0.215 4.583 8.963 1.00 75.24 H new ATOM 0 HB3 GLU A2052 0.990 3.706 10.268 1.00 75.24 H new ATOM 0 HG2 GLU A2052 2.938 4.660 8.267 1.00 41.33 H new ATOM 0 HG3 GLU A2052 2.009 5.975 8.959 1.00 41.33 H new ATOM 663 N PRO A2053 -0.207 1.302 9.554 1.00 74.53 N ATOM 664 CA PRO A2053 -0.546 0.112 10.316 1.00 63.42 C ATOM 665 C PRO A2053 -0.622 -1.116 9.407 1.00 70.03 C ATOM 666 O PRO A2053 -0.006 -2.142 9.690 1.00 1.54 O ATOM 667 CB PRO A2053 -1.873 0.437 10.985 1.00 45.21 C ATOM 668 CG PRO A2053 -2.453 1.609 10.210 1.00 34.33 C ATOM 669 CD PRO A2053 -1.348 2.188 9.341 1.00 51.01 C ATOM 0 HA PRO A2053 0.209 -0.140 11.060 1.00 63.42 H new ATOM 0 HB2 PRO A2053 -2.545 -0.421 10.957 1.00 45.21 H new ATOM 0 HB3 PRO A2053 -1.729 0.695 12.034 1.00 45.21 H new ATOM 0 HG2 PRO A2053 -3.291 1.282 9.594 1.00 34.33 H new ATOM 0 HG3 PRO A2053 -2.837 2.366 10.894 1.00 34.33 H new ATOM 0 HD2 PRO A2053 -1.641 2.211 8.291 1.00 51.01 H new ATOM 0 HD3 PRO A2053 -1.113 3.213 9.629 1.00 51.01 H new ATOM 677 N LEU A2054 -1.382 -0.971 8.330 1.00 4.03 N ATOM 678 CA LEU A2054 -1.545 -2.057 7.378 1.00 72.23 C ATOM 679 C LEU A2054 -0.169 -2.614 7.005 1.00 63.02 C ATOM 680 O LEU A2054 0.084 -3.807 7.165 1.00 45.32 O ATOM 681 CB LEU A2054 -2.368 -1.594 6.174 1.00 63.34 C ATOM 682 CG LEU A2054 -3.884 -1.544 6.376 1.00 72.20 C ATOM 683 CD1 LEU A2054 -4.587 -1.010 5.127 1.00 34.03 C ATOM 684 CD2 LEU A2054 -4.424 -2.911 6.800 1.00 71.43 C ATOM 0 H LEU A2054 -1.891 -0.119 8.096 1.00 4.03 H new ATOM 0 HA LEU A2054 -2.109 -2.875 7.826 1.00 72.23 H new ATOM 0 HB2 LEU A2054 -2.027 -0.599 5.887 1.00 63.34 H new ATOM 0 HB3 LEU A2054 -2.155 -2.258 5.336 1.00 63.34 H new ATOM 0 HG LEU A2054 -4.099 -0.847 7.186 1.00 72.20 H new ATOM 0 HD11 LEU A2054 -5.663 -0.985 5.298 1.00 34.03 H new ATOM 0 HD12 LEU A2054 -4.230 -0.003 4.911 1.00 34.03 H new ATOM 0 HD13 LEU A2054 -4.369 -1.661 4.280 1.00 34.03 H new ATOM 0 HD21 LEU A2054 -5.504 -2.849 6.937 1.00 71.43 H new ATOM 0 HD22 LEU A2054 -4.198 -3.647 6.028 1.00 71.43 H new ATOM 0 HD23 LEU A2054 -3.956 -3.212 7.737 1.00 71.43 H new ATOM 696 N HIS A2055 0.682 -1.724 6.516 1.00 13.02 N ATOM 697 CA HIS A2055 2.024 -2.111 6.121 1.00 61.21 C ATOM 698 C HIS A2055 2.769 -2.688 7.326 1.00 75.15 C ATOM 699 O HIS A2055 3.306 -3.792 7.258 1.00 23.03 O ATOM 700 CB HIS A2055 2.762 -0.935 5.475 1.00 72.21 C ATOM 701 CG HIS A2055 2.229 -0.548 4.116 1.00 11.44 C ATOM 702 ND1 HIS A2055 2.681 0.562 3.424 1.00 25.42 N ATOM 703 CD2 HIS A2055 1.279 -1.133 3.331 1.00 10.14 C ATOM 704 CE1 HIS A2055 2.025 0.630 2.273 1.00 54.13 C ATOM 705 NE2 HIS A2055 1.156 -0.419 2.219 1.00 0.25 N ATOM 0 H HIS A2055 0.467 -0.736 6.385 1.00 13.02 H new ATOM 0 HA HIS A2055 1.971 -2.892 5.363 1.00 61.21 H new ATOM 0 HB2 HIS A2055 2.700 -0.072 6.138 1.00 72.21 H new ATOM 0 HB3 HIS A2055 3.818 -1.189 5.381 1.00 72.21 H new ATOM 0 HD2 HIS A2055 0.722 -2.026 3.573 1.00 10.14 H new ATOM 0 HE1 HIS A2055 2.156 1.385 1.512 1.00 54.13 H new ATOM 0 HE2 HIS A2055 0.517 -0.622 1.451 1.00 0.25 H new ATOM 714 N ALA A2056 2.777 -1.914 8.402 1.00 63.41 N ATOM 715 CA ALA A2056 3.445 -2.336 9.621 1.00 41.50 C ATOM 716 C ALA A2056 2.995 -3.753 9.983 1.00 55.44 C ATOM 717 O ALA A2056 3.824 -4.628 10.231 1.00 71.24 O ATOM 718 CB ALA A2056 3.156 -1.329 10.736 1.00 53.14 C ATOM 0 H ALA A2056 2.332 -0.998 8.454 1.00 63.41 H new ATOM 0 HA ALA A2056 4.525 -2.362 9.476 1.00 41.50 H new ATOM 0 HB1 ALA A2056 3.657 -1.645 11.651 1.00 53.14 H new ATOM 0 HB2 ALA A2056 3.523 -0.346 10.442 1.00 53.14 H new ATOM 0 HB3 ALA A2056 2.081 -1.278 10.910 1.00 53.14 H new ATOM 724 N MET A2057 1.683 -3.935 10.002 1.00 52.14 N ATOM 725 CA MET A2057 1.112 -5.230 10.330 1.00 74.13 C ATOM 726 C MET A2057 1.743 -6.337 9.485 1.00 3.32 C ATOM 727 O MET A2057 1.980 -7.440 9.975 1.00 34.41 O ATOM 728 CB MET A2057 -0.399 -5.200 10.085 1.00 52.22 C ATOM 729 CG MET A2057 -0.820 -6.310 9.121 1.00 52.34 C ATOM 730 SD MET A2057 -2.601 -6.384 9.016 1.00 54.41 S ATOM 731 CE MET A2057 -2.789 -6.908 7.321 1.00 74.10 C ATOM 0 H MET A2057 0.999 -3.207 9.796 1.00 52.14 H new ATOM 0 HA MET A2057 1.315 -5.439 11.380 1.00 74.13 H new ATOM 0 HB2 MET A2057 -0.927 -5.316 11.032 1.00 52.22 H new ATOM 0 HB3 MET A2057 -0.686 -4.231 9.677 1.00 52.22 H new ATOM 0 HG2 MET A2057 -0.397 -6.126 8.134 1.00 52.34 H new ATOM 0 HG3 MET A2057 -0.427 -7.268 9.462 1.00 52.34 H new ATOM 0 HE1 MET A2057 -3.766 -7.374 7.190 1.00 74.10 H new ATOM 0 HE2 MET A2057 -2.708 -6.044 6.662 1.00 74.10 H new ATOM 0 HE3 MET A2057 -2.008 -7.627 7.074 1.00 74.10 H new ATOM 741 N MET A2058 1.999 -6.006 8.227 1.00 53.04 N ATOM 742 CA MET A2058 2.599 -6.957 7.309 1.00 23.24 C ATOM 743 C MET A2058 4.042 -7.270 7.708 1.00 10.33 C ATOM 744 O MET A2058 4.520 -8.386 7.502 1.00 14.53 O ATOM 745 CB MET A2058 2.575 -6.384 5.890 1.00 5.53 C ATOM 746 CG MET A2058 1.140 -6.115 5.432 1.00 13.30 C ATOM 747 SD MET A2058 0.704 -7.226 4.106 1.00 15.31 S ATOM 748 CE MET A2058 -1.011 -7.526 4.505 1.00 1.00 C ATOM 0 H MET A2058 1.801 -5.091 7.823 1.00 53.04 H new ATOM 0 HA MET A2058 2.023 -7.881 7.347 1.00 23.24 H new ATOM 0 HB2 MET A2058 3.150 -5.459 5.858 1.00 5.53 H new ATOM 0 HB3 MET A2058 3.055 -7.082 5.204 1.00 5.53 H new ATOM 0 HG2 MET A2058 0.452 -6.245 6.268 1.00 13.30 H new ATOM 0 HG3 MET A2058 1.044 -5.082 5.098 1.00 13.30 H new ATOM 0 HE1 MET A2058 -1.554 -7.792 3.598 1.00 1.00 H new ATOM 0 HE2 MET A2058 -1.080 -8.343 5.223 1.00 1.00 H new ATOM 0 HE3 MET A2058 -1.447 -6.625 4.938 1.00 1.00 H new ATOM 758 N GLU A2059 4.697 -6.267 8.273 1.00 0.51 N ATOM 759 CA GLU A2059 6.076 -6.420 8.704 1.00 3.34 C ATOM 760 C GLU A2059 6.138 -7.201 10.019 1.00 33.30 C ATOM 761 O GLU A2059 6.677 -8.306 10.064 1.00 11.13 O ATOM 762 CB GLU A2059 6.763 -5.060 8.840 1.00 13.41 C ATOM 763 CG GLU A2059 6.319 -4.106 7.729 1.00 25.01 C ATOM 764 CD GLU A2059 6.327 -4.809 6.369 1.00 40.24 C ATOM 765 OE1 GLU A2059 5.338 -5.458 6.001 1.00 44.24 O ATOM 766 OE2 GLU A2059 7.412 -4.660 5.687 1.00 74.05 O ATOM 0 H GLU A2059 4.298 -5.344 8.443 1.00 0.51 H new ATOM 0 HA GLU A2059 6.613 -6.986 7.943 1.00 3.34 H new ATOM 0 HB2 GLU A2059 6.528 -4.626 9.812 1.00 13.41 H new ATOM 0 HB3 GLU A2059 7.845 -5.190 8.802 1.00 13.41 H new ATOM 0 HG2 GLU A2059 5.318 -3.732 7.944 1.00 25.01 H new ATOM 0 HG3 GLU A2059 6.982 -3.242 7.700 1.00 25.01 H new ATOM 774 N ARG A2060 5.580 -6.594 11.056 1.00 25.23 N ATOM 775 CA ARG A2060 5.565 -7.219 12.369 1.00 55.54 C ATOM 776 C ARG A2060 4.628 -8.428 12.370 1.00 71.21 C ATOM 777 O ARG A2060 4.757 -9.316 13.210 1.00 31.41 O ATOM 778 CB ARG A2060 5.112 -6.229 13.444 1.00 25.01 C ATOM 779 CG ARG A2060 3.663 -5.792 13.212 1.00 1.22 C ATOM 780 CD ARG A2060 3.255 -4.699 14.201 1.00 13.32 C ATOM 781 NE ARG A2060 1.926 -5.006 14.775 1.00 3.30 N ATOM 782 CZ ARG A2060 1.419 -4.406 15.872 1.00 31.21 C ATOM 783 NH1 ARG A2060 2.125 -3.458 16.525 1.00 4.15 N ATOM 784 NH2 ARG A2060 0.220 -4.759 16.298 1.00 61.04 N ATOM 0 H ARG A2060 5.135 -5.677 11.015 1.00 25.23 H new ATOM 0 HA ARG A2060 6.581 -7.543 12.595 1.00 55.54 H new ATOM 0 HB2 ARG A2060 5.204 -6.688 14.428 1.00 25.01 H new ATOM 0 HB3 ARG A2060 5.764 -5.356 13.437 1.00 25.01 H new ATOM 0 HG2 ARG A2060 3.549 -5.425 12.192 1.00 1.22 H new ATOM 0 HG3 ARG A2060 2.999 -6.650 13.318 1.00 1.22 H new ATOM 0 HD2 ARG A2060 3.995 -4.623 14.997 1.00 13.32 H new ATOM 0 HD3 ARG A2060 3.228 -3.733 13.697 1.00 13.32 H new ATOM 0 HE ARG A2060 1.358 -5.716 14.312 1.00 3.30 H new ATOM 0 HH11 ARG A2060 3.050 -3.190 16.190 1.00 4.15 H new ATOM 0 HH12 ARG A2060 1.733 -3.010 17.353 1.00 4.15 H new ATOM 0 HH21 ARG A2060 -0.308 -5.475 15.799 1.00 61.04 H new ATOM 0 HH22 ARG A2060 -0.178 -4.315 17.126 1.00 61.04 H new ATOM 796 N GLY A2061 3.703 -8.422 11.419 1.00 13.14 N ATOM 797 CA GLY A2061 2.745 -9.507 11.301 1.00 33.13 C ATOM 798 C GLY A2061 2.935 -10.266 9.986 1.00 70.24 C ATOM 799 O GLY A2061 2.258 -9.981 8.998 1.00 44.23 O ATOM 0 H GLY A2061 3.598 -7.683 10.724 1.00 13.14 H new ATOM 0 HA2 GLY A2061 2.861 -10.192 12.141 1.00 33.13 H new ATOM 0 HA3 GLY A2061 1.731 -9.109 11.352 1.00 33.13 H new ATOM 803 N PRO A2062 3.883 -11.240 10.016 1.00 60.35 N ATOM 804 CA PRO A2062 4.169 -12.042 8.837 1.00 51.44 C ATOM 805 C PRO A2062 3.065 -13.073 8.592 1.00 34.32 C ATOM 806 O PRO A2062 1.959 -12.940 9.116 1.00 11.25 O ATOM 807 CB PRO A2062 5.523 -12.674 9.113 1.00 32.01 C ATOM 808 CG PRO A2062 5.730 -12.579 10.615 1.00 24.45 C ATOM 809 CD PRO A2062 4.701 -11.606 11.167 1.00 61.55 C ATOM 0 HA PRO A2062 4.199 -11.450 7.922 1.00 51.44 H new ATOM 0 HB2 PRO A2062 5.544 -13.712 8.781 1.00 32.01 H new ATOM 0 HB3 PRO A2062 6.315 -12.151 8.576 1.00 32.01 H new ATOM 0 HG2 PRO A2062 5.616 -13.559 11.079 1.00 24.45 H new ATOM 0 HG3 PRO A2062 6.740 -12.235 10.840 1.00 24.45 H new ATOM 0 HD2 PRO A2062 4.099 -12.068 11.950 1.00 61.55 H new ATOM 0 HD3 PRO A2062 5.179 -10.731 11.607 1.00 61.55 H new ATOM 817 N GLN A2063 3.403 -14.077 7.798 1.00 34.31 N ATOM 818 CA GLN A2063 2.454 -15.130 7.478 1.00 4.32 C ATOM 819 C GLN A2063 3.192 -16.435 7.176 1.00 24.30 C ATOM 820 O GLN A2063 3.186 -17.360 7.988 1.00 10.21 O ATOM 821 CB GLN A2063 1.557 -14.723 6.307 1.00 3.14 C ATOM 822 CG GLN A2063 0.162 -15.332 6.450 1.00 71.55 C ATOM 823 CD GLN A2063 -0.827 -14.311 7.016 1.00 31.13 C ATOM 824 OE1 GLN A2063 -1.406 -13.507 6.304 1.00 13.44 O ATOM 825 NE2 GLN A2063 -0.987 -14.388 8.334 1.00 55.41 N ATOM 0 H GLN A2063 4.321 -14.184 7.366 1.00 34.31 H new ATOM 0 HA GLN A2063 1.813 -15.290 8.345 1.00 4.32 H new ATOM 0 HB2 GLN A2063 1.481 -13.637 6.263 1.00 3.14 H new ATOM 0 HB3 GLN A2063 2.006 -15.050 5.369 1.00 3.14 H new ATOM 0 HG2 GLN A2063 -0.187 -15.682 5.479 1.00 71.55 H new ATOM 0 HG3 GLN A2063 0.207 -16.202 7.105 1.00 71.55 H new ATOM 0 HE21 GLN A2063 -0.471 -15.085 8.871 1.00 55.41 H new ATOM 0 HE22 GLN A2063 -1.626 -13.750 8.808 1.00 55.41 H new ATOM 834 N THR A2064 3.812 -16.470 6.005 1.00 43.12 N ATOM 835 CA THR A2064 4.553 -17.647 5.583 1.00 2.14 C ATOM 836 C THR A2064 5.594 -17.272 4.528 1.00 4.32 C ATOM 837 O THR A2064 5.684 -16.114 4.122 1.00 63.24 O ATOM 838 CB THR A2064 3.546 -18.691 5.101 1.00 24.22 C ATOM 839 OG1 THR A2064 2.724 -17.982 4.179 1.00 72.31 O ATOM 840 CG2 THR A2064 2.581 -19.128 6.203 1.00 1.13 C ATOM 0 H THR A2064 3.816 -15.701 5.335 1.00 43.12 H new ATOM 0 HA THR A2064 5.117 -18.077 6.410 1.00 2.14 H new ATOM 0 HB THR A2064 4.081 -19.562 4.722 1.00 24.22 H new ATOM 0 HG1 THR A2064 2.043 -18.586 3.816 1.00 72.31 H new ATOM 0 HG21 THR A2064 1.888 -19.870 5.807 1.00 1.13 H new ATOM 0 HG22 THR A2064 3.144 -19.563 7.029 1.00 1.13 H new ATOM 0 HG23 THR A2064 2.022 -18.264 6.561 1.00 1.13 H new ATOM 848 N LEU A2065 6.356 -18.274 4.113 1.00 43.14 N ATOM 849 CA LEU A2065 7.388 -18.063 3.111 1.00 64.42 C ATOM 850 C LEU A2065 6.737 -17.614 1.801 1.00 42.31 C ATOM 851 O LEU A2065 7.358 -16.909 1.006 1.00 20.53 O ATOM 852 CB LEU A2065 8.258 -19.314 2.968 1.00 61.24 C ATOM 853 CG LEU A2065 9.761 -19.071 2.818 1.00 41.00 C ATOM 854 CD1 LEU A2065 10.065 -18.274 1.548 1.00 61.52 C ATOM 855 CD2 LEU A2065 10.336 -18.399 4.066 1.00 14.43 C ATOM 0 H LEU A2065 6.280 -19.233 4.452 1.00 43.14 H new ATOM 0 HA LEU A2065 8.063 -17.266 3.421 1.00 64.42 H new ATOM 0 HB2 LEU A2065 8.097 -19.946 3.841 1.00 61.24 H new ATOM 0 HB3 LEU A2065 7.912 -19.876 2.100 1.00 61.24 H new ATOM 0 HG LEU A2065 10.253 -20.038 2.717 1.00 41.00 H new ATOM 0 HD11 LEU A2065 11.140 -18.116 1.466 1.00 61.52 H new ATOM 0 HD12 LEU A2065 9.713 -18.828 0.678 1.00 61.52 H new ATOM 0 HD13 LEU A2065 9.559 -17.310 1.594 1.00 61.52 H new ATOM 0 HD21 LEU A2065 11.406 -18.238 3.932 1.00 14.43 H new ATOM 0 HD22 LEU A2065 9.842 -17.440 4.224 1.00 14.43 H new ATOM 0 HD23 LEU A2065 10.171 -19.039 4.933 1.00 14.43 H new ATOM 867 N LYS A2066 5.496 -18.039 1.617 1.00 32.54 N ATOM 868 CA LYS A2066 4.756 -17.690 0.418 1.00 53.01 C ATOM 869 C LYS A2066 4.443 -16.191 0.435 1.00 71.13 C ATOM 870 O LYS A2066 4.460 -15.538 -0.607 1.00 5.13 O ATOM 871 CB LYS A2066 3.517 -18.575 0.275 1.00 35.11 C ATOM 872 CG LYS A2066 3.740 -19.668 -0.770 1.00 2.44 C ATOM 873 CD LYS A2066 4.603 -20.799 -0.206 1.00 44.11 C ATOM 874 CE LYS A2066 4.822 -21.895 -1.250 1.00 22.05 C ATOM 875 NZ LYS A2066 6.097 -21.677 -1.970 1.00 64.30 N ATOM 0 H LYS A2066 4.984 -18.622 2.279 1.00 32.54 H new ATOM 0 HA LYS A2066 5.359 -17.881 -0.470 1.00 53.01 H new ATOM 0 HB2 LYS A2066 3.278 -19.030 1.236 1.00 35.11 H new ATOM 0 HB3 LYS A2066 2.661 -17.964 -0.010 1.00 35.11 H new ATOM 0 HG2 LYS A2066 2.779 -20.067 -1.095 1.00 2.44 H new ATOM 0 HG3 LYS A2066 4.222 -19.242 -1.650 1.00 2.44 H new ATOM 0 HD2 LYS A2066 5.565 -20.401 0.116 1.00 44.11 H new ATOM 0 HD3 LYS A2066 4.122 -21.223 0.676 1.00 44.11 H new ATOM 0 HE2 LYS A2066 4.834 -22.871 -0.765 1.00 22.05 H new ATOM 0 HE3 LYS A2066 3.994 -21.901 -1.959 1.00 22.05 H new ATOM 0 HZ1 LYS A2066 6.231 -22.430 -2.675 1.00 64.30 H new ATOM 0 HZ2 LYS A2066 6.072 -20.754 -2.449 1.00 64.30 H new ATOM 0 HZ3 LYS A2066 6.886 -21.694 -1.292 1.00 64.30 H new ATOM 888 N GLU A2067 4.162 -15.693 1.630 1.00 13.52 N ATOM 889 CA GLU A2067 3.846 -14.284 1.797 1.00 23.05 C ATOM 890 C GLU A2067 5.130 -13.455 1.852 1.00 41.41 C ATOM 891 O GLU A2067 5.115 -12.259 1.559 1.00 72.41 O ATOM 892 CB GLU A2067 2.994 -14.059 3.048 1.00 64.43 C ATOM 893 CG GLU A2067 1.528 -13.825 2.678 1.00 22.21 C ATOM 894 CD GLU A2067 1.350 -12.488 1.956 1.00 51.34 C ATOM 895 OE1 GLU A2067 2.243 -11.629 2.015 1.00 35.41 O ATOM 896 OE2 GLU A2067 0.238 -12.358 1.315 1.00 34.20 O ATOM 0 H GLU A2067 4.146 -16.239 2.491 1.00 13.52 H new ATOM 0 HA GLU A2067 3.263 -13.957 0.936 1.00 23.05 H new ATOM 0 HB2 GLU A2067 3.073 -14.924 3.707 1.00 64.43 H new ATOM 0 HB3 GLU A2067 3.374 -13.201 3.602 1.00 64.43 H new ATOM 0 HG2 GLU A2067 1.177 -14.636 2.040 1.00 22.21 H new ATOM 0 HG3 GLU A2067 0.915 -13.840 3.579 1.00 22.21 H new ATOM 904 N THR A2068 6.212 -14.121 2.229 1.00 21.35 N ATOM 905 CA THR A2068 7.502 -13.459 2.326 1.00 31.11 C ATOM 906 C THR A2068 7.862 -12.796 0.996 1.00 71.21 C ATOM 907 O THR A2068 8.486 -11.737 0.976 1.00 52.12 O ATOM 908 CB THR A2068 8.529 -14.495 2.788 1.00 0.41 C ATOM 909 OG1 THR A2068 8.387 -14.519 4.205 1.00 53.02 O ATOM 910 CG2 THR A2068 9.970 -14.028 2.566 1.00 60.20 C ATOM 0 H THR A2068 6.222 -15.112 2.471 1.00 21.35 H new ATOM 0 HA THR A2068 7.480 -12.652 3.059 1.00 31.11 H new ATOM 0 HB THR A2068 8.364 -15.432 2.256 1.00 0.41 H new ATOM 0 HG1 THR A2068 7.563 -14.992 4.443 1.00 53.02 H new ATOM 0 HG21 THR A2068 10.659 -14.799 2.910 1.00 60.20 H new ATOM 0 HG22 THR A2068 10.133 -13.843 1.504 1.00 60.20 H new ATOM 0 HG23 THR A2068 10.145 -13.109 3.125 1.00 60.20 H new ATOM 918 N SER A2069 7.455 -13.449 -0.083 1.00 42.25 N ATOM 919 CA SER A2069 7.727 -12.936 -1.415 1.00 54.51 C ATOM 920 C SER A2069 6.819 -11.740 -1.711 1.00 43.43 C ATOM 921 O SER A2069 7.238 -10.783 -2.362 1.00 24.33 O ATOM 922 CB SER A2069 7.536 -14.022 -2.474 1.00 73.40 C ATOM 923 OG SER A2069 8.137 -13.669 -3.718 1.00 33.41 O ATOM 0 H SER A2069 6.939 -14.329 -0.062 1.00 42.25 H new ATOM 0 HA SER A2069 8.767 -12.612 -1.450 1.00 54.51 H new ATOM 0 HB2 SER A2069 7.967 -14.957 -2.116 1.00 73.40 H new ATOM 0 HB3 SER A2069 6.471 -14.199 -2.624 1.00 73.40 H new ATOM 0 HG SER A2069 7.994 -14.390 -4.367 1.00 33.41 H new ATOM 929 N PHE A2070 5.592 -11.834 -1.220 1.00 14.53 N ATOM 930 CA PHE A2070 4.622 -10.772 -1.422 1.00 54.14 C ATOM 931 C PHE A2070 5.071 -9.478 -0.737 1.00 44.44 C ATOM 932 O PHE A2070 5.048 -8.409 -1.345 1.00 74.22 O ATOM 933 CB PHE A2070 3.309 -11.238 -0.792 1.00 64.45 C ATOM 934 CG PHE A2070 2.222 -10.162 -0.749 1.00 21.13 C ATOM 935 CD1 PHE A2070 2.287 -9.169 0.176 1.00 70.43 C ATOM 936 CD2 PHE A2070 1.191 -10.200 -1.635 1.00 63.32 C ATOM 937 CE1 PHE A2070 1.277 -8.169 0.217 1.00 21.01 C ATOM 938 CE2 PHE A2070 0.182 -9.201 -1.594 1.00 42.44 C ATOM 939 CZ PHE A2070 0.247 -8.207 -0.670 1.00 2.20 C ATOM 0 H PHE A2070 5.248 -12.630 -0.683 1.00 14.53 H new ATOM 0 HA PHE A2070 4.513 -10.568 -2.487 1.00 54.14 H new ATOM 0 HB2 PHE A2070 2.935 -12.096 -1.350 1.00 64.45 H new ATOM 0 HB3 PHE A2070 3.507 -11.581 0.224 1.00 64.45 H new ATOM 0 HD1 PHE A2070 3.106 -9.139 0.880 1.00 70.43 H new ATOM 0 HD2 PHE A2070 1.139 -10.990 -2.370 1.00 63.32 H new ATOM 0 HE1 PHE A2070 1.328 -7.380 0.952 1.00 21.01 H new ATOM 0 HE2 PHE A2070 -0.637 -9.232 -2.297 1.00 42.44 H new ATOM 0 HZ PHE A2070 -0.520 -7.447 -0.640 1.00 2.20 H new ATOM 949 N ASN A2071 5.471 -9.620 0.518 1.00 32.01 N ATOM 950 CA ASN A2071 5.924 -8.477 1.292 1.00 24.20 C ATOM 951 C ASN A2071 7.231 -7.948 0.696 1.00 43.50 C ATOM 952 O ASN A2071 7.526 -6.760 0.795 1.00 52.14 O ATOM 953 CB ASN A2071 6.193 -8.870 2.747 1.00 51.44 C ATOM 954 CG ASN A2071 6.282 -7.632 3.641 1.00 73.32 C ATOM 955 OD1 ASN A2071 5.331 -6.884 3.806 1.00 51.10 O ATOM 956 ND2 ASN A2071 7.472 -7.457 4.207 1.00 2.32 N ATOM 0 H ASN A2071 5.491 -10.509 1.018 1.00 32.01 H new ATOM 0 HA ASN A2071 5.143 -7.717 1.261 1.00 24.20 H new ATOM 0 HB2 ASN A2071 5.398 -9.524 3.104 1.00 51.44 H new ATOM 0 HB3 ASN A2071 7.123 -9.435 2.809 1.00 51.44 H new ATOM 0 HD21 ASN A2071 7.632 -6.659 4.822 1.00 2.32 H new ATOM 0 HD22 ASN A2071 8.225 -8.121 4.027 1.00 2.32 H new ATOM 963 N GLN A2072 7.978 -8.859 0.088 1.00 61.44 N ATOM 964 CA GLN A2072 9.245 -8.501 -0.525 1.00 60.15 C ATOM 965 C GLN A2072 9.009 -7.846 -1.887 1.00 60.24 C ATOM 966 O GLN A2072 9.517 -6.757 -2.155 1.00 14.54 O ATOM 967 CB GLN A2072 10.158 -9.720 -0.654 1.00 30.13 C ATOM 968 CG GLN A2072 10.867 -10.016 0.669 1.00 41.22 C ATOM 969 CD GLN A2072 12.363 -9.705 0.571 1.00 72.32 C ATOM 970 OE1 GLN A2072 13.069 -10.191 -0.298 1.00 35.43 O ATOM 971 NE2 GLN A2072 12.804 -8.870 1.507 1.00 53.24 N ATOM 0 H GLN A2072 7.729 -9.845 0.007 1.00 61.44 H new ATOM 0 HA GLN A2072 9.747 -7.781 0.121 1.00 60.15 H new ATOM 0 HB2 GLN A2072 9.572 -10.587 -0.959 1.00 30.13 H new ATOM 0 HB3 GLN A2072 10.897 -9.544 -1.436 1.00 30.13 H new ATOM 0 HG2 GLN A2072 10.420 -9.422 1.466 1.00 41.22 H new ATOM 0 HG3 GLN A2072 10.726 -11.064 0.935 1.00 41.22 H new ATOM 0 HE21 GLN A2072 12.159 -8.500 2.205 1.00 53.24 H new ATOM 0 HE22 GLN A2072 13.787 -8.600 1.527 1.00 53.24 H new ATOM 980 N ALA A2073 8.237 -8.535 -2.714 1.00 62.32 N ATOM 981 CA ALA A2073 7.927 -8.036 -4.042 1.00 53.53 C ATOM 982 C ALA A2073 7.634 -6.535 -3.963 1.00 53.25 C ATOM 983 O ALA A2073 7.972 -5.782 -4.873 1.00 25.12 O ATOM 984 CB ALA A2073 6.756 -8.828 -4.627 1.00 5.32 C ATOM 0 H ALA A2073 7.816 -9.437 -2.489 1.00 62.32 H new ATOM 0 HA ALA A2073 8.778 -8.172 -4.710 1.00 53.53 H new ATOM 0 HB1 ALA A2073 6.524 -8.452 -5.624 1.00 5.32 H new ATOM 0 HB2 ALA A2073 7.025 -9.882 -4.690 1.00 5.32 H new ATOM 0 HB3 ALA A2073 5.883 -8.714 -3.985 1.00 5.32 H new ATOM 990 N TYR A2074 7.006 -6.146 -2.862 1.00 60.44 N ATOM 991 CA TYR A2074 6.663 -4.750 -2.652 1.00 65.53 C ATOM 992 C TYR A2074 7.552 -4.123 -1.579 1.00 15.23 C ATOM 993 O TYR A2074 7.690 -2.902 -1.514 1.00 73.40 O ATOM 994 CB TYR A2074 5.213 -4.742 -2.163 1.00 52.24 C ATOM 995 CG TYR A2074 4.242 -5.485 -3.082 1.00 0.11 C ATOM 996 CD1 TYR A2074 4.215 -5.203 -4.433 1.00 2.24 C ATOM 997 CD2 TYR A2074 3.393 -6.442 -2.561 1.00 4.22 C ATOM 998 CE1 TYR A2074 3.302 -5.903 -5.297 1.00 23.23 C ATOM 999 CE2 TYR A2074 2.481 -7.143 -3.425 1.00 71.01 C ATOM 1000 CZ TYR A2074 2.480 -6.839 -4.752 1.00 75.14 C ATOM 1001 OH TYR A2074 1.617 -7.502 -5.569 1.00 12.32 O ATOM 0 H TYR A2074 6.726 -6.773 -2.107 1.00 60.44 H new ATOM 0 HA TYR A2074 6.799 -4.179 -3.570 1.00 65.53 H new ATOM 0 HB2 TYR A2074 5.173 -5.190 -1.170 1.00 52.24 H new ATOM 0 HB3 TYR A2074 4.881 -3.709 -2.060 1.00 52.24 H new ATOM 0 HD1 TYR A2074 4.880 -4.456 -4.842 1.00 2.24 H new ATOM 0 HD2 TYR A2074 3.414 -6.664 -1.504 1.00 4.22 H new ATOM 0 HE1 TYR A2074 3.270 -5.690 -6.355 1.00 23.23 H new ATOM 0 HE2 TYR A2074 1.812 -7.893 -3.030 1.00 71.01 H new ATOM 0 HH TYR A2074 1.270 -8.293 -5.105 1.00 12.32 H new ATOM 1011 N GLY A2075 8.136 -4.985 -0.759 1.00 10.03 N ATOM 1012 CA GLY A2075 9.011 -4.533 0.310 1.00 64.22 C ATOM 1013 C GLY A2075 9.847 -3.332 -0.139 1.00 43.15 C ATOM 1014 O GLY A2075 10.067 -2.401 0.634 1.00 42.44 O ATOM 0 H GLY A2075 8.020 -5.997 -0.814 1.00 10.03 H new ATOM 0 HA2 GLY A2075 8.416 -4.261 1.182 1.00 64.22 H new ATOM 0 HA3 GLY A2075 9.670 -5.346 0.614 1.00 64.22 H new ATOM 1018 N ARG A2076 10.290 -3.393 -1.386 1.00 63.14 N ATOM 1019 CA ARG A2076 11.097 -2.323 -1.948 1.00 13.43 C ATOM 1020 C ARG A2076 10.210 -1.143 -2.349 1.00 0.33 C ATOM 1021 O ARG A2076 10.506 0.003 -2.014 1.00 33.45 O ATOM 1022 CB ARG A2076 11.877 -2.806 -3.171 1.00 61.12 C ATOM 1023 CG ARG A2076 12.703 -1.669 -3.779 1.00 71.03 C ATOM 1024 CD ARG A2076 13.769 -1.181 -2.797 1.00 3.41 C ATOM 1025 NE ARG A2076 15.118 -1.512 -3.310 1.00 23.25 N ATOM 1026 CZ ARG A2076 16.231 -1.544 -2.548 1.00 55.03 C ATOM 1027 NH1 ARG A2076 16.166 -1.262 -1.227 1.00 61.41 N ATOM 1028 NH2 ARG A2076 17.385 -1.852 -3.109 1.00 63.12 N ATOM 0 H ARG A2076 10.105 -4.167 -2.024 1.00 63.14 H new ATOM 0 HA ARG A2076 11.805 -2.005 -1.183 1.00 13.43 H new ATOM 0 HB2 ARG A2076 12.535 -3.627 -2.886 1.00 61.12 H new ATOM 0 HB3 ARG A2076 11.185 -3.197 -3.917 1.00 61.12 H new ATOM 0 HG2 ARG A2076 13.179 -2.012 -4.698 1.00 71.03 H new ATOM 0 HG3 ARG A2076 12.047 -0.842 -4.049 1.00 71.03 H new ATOM 0 HD2 ARG A2076 13.679 -0.104 -2.655 1.00 3.41 H new ATOM 0 HD3 ARG A2076 13.617 -1.645 -1.822 1.00 3.41 H new ATOM 0 HE ARG A2076 15.212 -1.730 -4.302 1.00 23.25 H new ATOM 0 HH11 ARG A2076 15.271 -1.023 -0.800 1.00 61.41 H new ATOM 0 HH12 ARG A2076 17.012 -1.288 -0.658 1.00 61.41 H new ATOM 0 HH21 ARG A2076 17.427 -2.062 -4.106 1.00 63.12 H new ATOM 0 HH22 ARG A2076 18.235 -1.880 -2.545 1.00 63.12 H new ATOM 1040 N ASP A2077 9.139 -1.464 -3.061 1.00 13.42 N ATOM 1041 CA ASP A2077 8.206 -0.445 -3.511 1.00 20.02 C ATOM 1042 C ASP A2077 7.680 0.330 -2.301 1.00 3.11 C ATOM 1043 O ASP A2077 7.814 1.550 -2.235 1.00 61.43 O ATOM 1044 CB ASP A2077 7.009 -1.072 -4.228 1.00 12.12 C ATOM 1045 CG ASP A2077 7.320 -1.675 -5.599 1.00 71.34 C ATOM 1046 OD1 ASP A2077 7.501 -0.951 -6.590 1.00 20.41 O ATOM 1047 OD2 ASP A2077 7.375 -2.964 -5.629 1.00 55.42 O ATOM 0 H ASP A2077 8.897 -2.416 -3.337 1.00 13.42 H new ATOM 0 HA ASP A2077 8.734 0.214 -4.200 1.00 20.02 H new ATOM 0 HB2 ASP A2077 6.591 -1.852 -3.591 1.00 12.12 H new ATOM 0 HB3 ASP A2077 6.238 -0.311 -4.349 1.00 12.12 H new ATOM 1053 N LEU A2078 7.095 -0.413 -1.373 1.00 52.44 N ATOM 1054 CA LEU A2078 6.548 0.190 -0.169 1.00 12.12 C ATOM 1055 C LEU A2078 7.620 1.056 0.496 1.00 22.51 C ATOM 1056 O LEU A2078 7.325 2.134 1.005 1.00 74.34 O ATOM 1057 CB LEU A2078 5.968 -0.887 0.752 1.00 1.40 C ATOM 1058 CG LEU A2078 4.664 -1.537 0.287 1.00 45.30 C ATOM 1059 CD1 LEU A2078 3.958 -2.242 1.446 1.00 42.40 C ATOM 1060 CD2 LEU A2078 3.755 -0.514 -0.399 1.00 10.40 C ATOM 0 H LEU A2078 6.988 -1.426 -1.430 1.00 52.44 H new ATOM 0 HA LEU A2078 5.716 0.849 -0.417 1.00 12.12 H new ATOM 0 HB2 LEU A2078 6.716 -1.670 0.878 1.00 1.40 H new ATOM 0 HB3 LEU A2078 5.800 -0.445 1.734 1.00 1.40 H new ATOM 0 HG LEU A2078 4.909 -2.299 -0.453 1.00 45.30 H new ATOM 0 HD11 LEU A2078 3.034 -2.695 1.087 1.00 42.40 H new ATOM 0 HD12 LEU A2078 4.609 -3.017 1.851 1.00 42.40 H new ATOM 0 HD13 LEU A2078 3.727 -1.517 2.227 1.00 42.40 H new ATOM 0 HD21 LEU A2078 2.835 -1.002 -0.720 1.00 10.40 H new ATOM 0 HD22 LEU A2078 3.516 0.287 0.300 1.00 10.40 H new ATOM 0 HD23 LEU A2078 4.266 -0.097 -1.267 1.00 10.40 H new ATOM 1072 N MET A2079 8.844 0.550 0.468 1.00 43.11 N ATOM 1073 CA MET A2079 9.962 1.262 1.063 1.00 43.34 C ATOM 1074 C MET A2079 10.118 2.653 0.439 1.00 13.34 C ATOM 1075 O MET A2079 10.252 3.644 1.154 1.00 32.41 O ATOM 1076 CB MET A2079 11.250 0.462 0.850 1.00 12.10 C ATOM 1077 CG MET A2079 11.722 -0.170 2.162 1.00 50.32 C ATOM 1078 SD MET A2079 11.962 1.097 3.397 1.00 34.23 S ATOM 1079 CE MET A2079 13.690 1.460 3.138 1.00 0.41 C ATOM 0 H MET A2079 9.086 -0.345 0.042 1.00 43.11 H new ATOM 0 HA MET A2079 9.768 1.379 2.129 1.00 43.34 H new ATOM 0 HB2 MET A2079 11.081 -0.317 0.106 1.00 12.10 H new ATOM 0 HB3 MET A2079 12.028 1.116 0.456 1.00 12.10 H new ATOM 0 HG2 MET A2079 10.987 -0.895 2.511 1.00 50.32 H new ATOM 0 HG3 MET A2079 12.653 -0.713 2.000 1.00 50.32 H new ATOM 0 HE1 MET A2079 14.007 2.237 3.833 1.00 0.41 H new ATOM 0 HE2 MET A2079 14.280 0.559 3.307 1.00 0.41 H new ATOM 0 HE3 MET A2079 13.840 1.805 2.115 1.00 0.41 H new ATOM 1089 N GLU A2080 10.096 2.678 -0.884 1.00 23.04 N ATOM 1090 CA GLU A2080 10.232 3.929 -1.611 1.00 52.11 C ATOM 1091 C GLU A2080 9.104 4.890 -1.233 1.00 34.31 C ATOM 1092 O GLU A2080 9.358 6.012 -0.798 1.00 31.41 O ATOM 1093 CB GLU A2080 10.263 3.687 -3.121 1.00 70.10 C ATOM 1094 CG GLU A2080 10.477 4.997 -3.882 1.00 5.14 C ATOM 1095 CD GLU A2080 10.933 4.727 -5.319 1.00 3.53 C ATOM 1096 OE1 GLU A2080 11.565 3.693 -5.586 1.00 34.12 O ATOM 1097 OE2 GLU A2080 10.608 5.638 -6.173 1.00 30.41 O ATOM 0 H GLU A2080 9.986 1.852 -1.473 1.00 23.04 H new ATOM 0 HA GLU A2080 11.181 4.386 -1.330 1.00 52.11 H new ATOM 0 HB2 GLU A2080 11.062 2.986 -3.364 1.00 70.10 H new ATOM 0 HB3 GLU A2080 9.327 3.227 -3.438 1.00 70.10 H new ATOM 0 HG2 GLU A2080 9.551 5.572 -3.892 1.00 5.14 H new ATOM 0 HG3 GLU A2080 11.223 5.603 -3.368 1.00 5.14 H new ATOM 1105 N ALA A2081 7.880 4.411 -1.411 1.00 61.52 N ATOM 1106 CA ALA A2081 6.710 5.213 -1.094 1.00 71.23 C ATOM 1107 C ALA A2081 6.792 5.672 0.365 1.00 62.35 C ATOM 1108 O ALA A2081 6.504 6.828 0.672 1.00 14.34 O ATOM 1109 CB ALA A2081 5.445 4.404 -1.380 1.00 32.31 C ATOM 0 H ALA A2081 7.674 3.479 -1.770 1.00 61.52 H new ATOM 0 HA ALA A2081 6.675 6.105 -1.719 1.00 71.23 H new ATOM 0 HB1 ALA A2081 4.567 5.005 -1.142 1.00 32.31 H new ATOM 0 HB2 ALA A2081 5.421 4.127 -2.434 1.00 32.31 H new ATOM 0 HB3 ALA A2081 5.444 3.502 -0.768 1.00 32.31 H new ATOM 1115 N GLN A2082 7.185 4.743 1.223 1.00 60.43 N ATOM 1116 CA GLN A2082 7.309 5.037 2.639 1.00 75.41 C ATOM 1117 C GLN A2082 8.205 6.259 2.853 1.00 73.42 C ATOM 1118 O GLN A2082 7.921 7.101 3.702 1.00 32.41 O ATOM 1119 CB GLN A2082 7.841 3.826 3.408 1.00 22.20 C ATOM 1120 CG GLN A2082 7.892 4.109 4.911 1.00 63.51 C ATOM 1121 CD GLN A2082 9.201 3.599 5.519 1.00 20.23 C ATOM 1122 OE1 GLN A2082 9.431 2.408 5.650 1.00 52.34 O ATOM 1123 NE2 GLN A2082 10.041 4.565 5.881 1.00 1.14 N ATOM 0 H GLN A2082 7.422 3.785 0.964 1.00 60.43 H new ATOM 0 HA GLN A2082 6.317 5.266 3.029 1.00 75.41 H new ATOM 0 HB2 GLN A2082 7.204 2.962 3.219 1.00 22.20 H new ATOM 0 HB3 GLN A2082 8.838 3.572 3.048 1.00 22.20 H new ATOM 0 HG2 GLN A2082 7.798 5.181 5.087 1.00 63.51 H new ATOM 0 HG3 GLN A2082 7.046 3.630 5.404 1.00 63.51 H new ATOM 0 HE21 GLN A2082 9.784 5.542 5.742 1.00 1.14 H new ATOM 0 HE22 GLN A2082 10.942 4.328 6.297 1.00 1.14 H new ATOM 1132 N GLU A2083 9.269 6.315 2.065 1.00 4.01 N ATOM 1133 CA GLU A2083 10.210 7.420 2.156 1.00 1.02 C ATOM 1134 C GLU A2083 9.553 8.716 1.674 1.00 13.23 C ATOM 1135 O GLU A2083 9.804 9.785 2.229 1.00 1.32 O ATOM 1136 CB GLU A2083 11.483 7.121 1.364 1.00 51.44 C ATOM 1137 CG GLU A2083 11.745 8.208 0.319 1.00 2.11 C ATOM 1138 CD GLU A2083 12.951 7.849 -0.553 1.00 41.13 C ATOM 1139 OE1 GLU A2083 14.020 7.510 -0.025 1.00 31.05 O ATOM 1140 OE2 GLU A2083 12.748 7.935 -1.823 1.00 64.22 O ATOM 0 H GLU A2083 9.501 5.614 1.361 1.00 4.01 H new ATOM 0 HA GLU A2083 10.494 7.547 3.201 1.00 1.02 H new ATOM 0 HB2 GLU A2083 12.332 7.053 2.044 1.00 51.44 H new ATOM 0 HB3 GLU A2083 11.391 6.153 0.872 1.00 51.44 H new ATOM 0 HG2 GLU A2083 10.863 8.335 -0.308 1.00 2.11 H new ATOM 0 HG3 GLU A2083 11.922 9.161 0.817 1.00 2.11 H new ATOM 1148 N TRP A2084 8.727 8.577 0.648 1.00 15.22 N ATOM 1149 CA TRP A2084 8.036 9.724 0.085 1.00 34.51 C ATOM 1150 C TRP A2084 6.916 10.121 1.050 1.00 71.34 C ATOM 1151 O TRP A2084 6.468 11.266 1.049 1.00 11.05 O ATOM 1152 CB TRP A2084 7.529 9.420 -1.326 1.00 41.11 C ATOM 1153 CG TRP A2084 8.641 9.139 -2.338 1.00 61.14 C ATOM 1154 CD1 TRP A2084 9.019 7.957 -2.844 1.00 34.11 C ATOM 1155 CD2 TRP A2084 9.510 10.114 -2.955 1.00 23.15 C ATOM 1156 NE1 TRP A2084 10.062 8.096 -3.734 1.00 44.43 N ATOM 1157 CE2 TRP A2084 10.370 9.450 -3.804 1.00 10.45 C ATOM 1158 CE3 TRP A2084 9.566 11.510 -2.799 1.00 1.43 C ATOM 1159 CZ2 TRP A2084 11.350 10.101 -4.565 1.00 5.12 C ATOM 1160 CZ3 TRP A2084 10.551 12.145 -3.564 1.00 71.21 C ATOM 1161 CH2 TRP A2084 11.424 11.492 -4.425 1.00 24.23 C ATOM 0 H TRP A2084 8.521 7.688 0.192 1.00 15.22 H new ATOM 0 HA TRP A2084 8.716 10.568 -0.026 1.00 34.51 H new ATOM 0 HB2 TRP A2084 6.863 8.558 -1.284 1.00 41.11 H new ATOM 0 HB3 TRP A2084 6.936 10.264 -1.678 1.00 41.11 H new ATOM 0 HD1 TRP A2084 8.563 7.013 -2.586 1.00 34.11 H new ATOM 0 HE1 TRP A2084 10.523 7.344 -4.247 1.00 44.43 H new ATOM 0 HE3 TRP A2084 8.901 12.050 -2.141 1.00 1.43 H new ATOM 0 HZ2 TRP A2084 12.012 9.559 -5.224 1.00 5.12 H new ATOM 0 HZ3 TRP A2084 10.639 13.218 -3.479 1.00 71.21 H new ATOM 0 HH2 TRP A2084 12.157 12.055 -4.984 1.00 24.23 H new ATOM 1172 N CYS A2085 6.494 9.150 1.848 1.00 51.03 N ATOM 1173 CA CYS A2085 5.436 9.384 2.816 1.00 23.11 C ATOM 1174 C CYS A2085 5.964 10.340 3.886 1.00 5.13 C ATOM 1175 O CYS A2085 5.409 11.417 4.090 1.00 71.45 O ATOM 1176 CB CYS A2085 4.924 8.074 3.421 1.00 22.22 C ATOM 1177 SG CYS A2085 3.870 8.427 4.874 1.00 31.52 S ATOM 0 H CYS A2085 6.866 8.200 1.844 1.00 51.03 H new ATOM 0 HA CYS A2085 4.579 9.838 2.319 1.00 23.11 H new ATOM 0 HB2 CYS A2085 4.356 7.517 2.676 1.00 22.22 H new ATOM 0 HB3 CYS A2085 5.765 7.446 3.715 1.00 22.22 H new ATOM 0 HG CYS A2085 2.682 8.771 4.475 1.00 31.52 H new ATOM 1183 N ARG A2086 7.033 9.911 4.540 1.00 3.13 N ATOM 1184 CA ARG A2086 7.643 10.716 5.585 1.00 11.33 C ATOM 1185 C ARG A2086 8.177 12.026 5.002 1.00 72.12 C ATOM 1186 O ARG A2086 8.261 13.033 5.704 1.00 20.02 O ATOM 1187 CB ARG A2086 8.790 9.962 6.262 1.00 44.02 C ATOM 1188 CG ARG A2086 10.038 9.952 5.376 1.00 25.01 C ATOM 1189 CD ARG A2086 10.705 8.575 5.382 1.00 35.34 C ATOM 1190 NE ARG A2086 11.918 8.595 4.536 1.00 53.45 N ATOM 1191 CZ ARG A2086 12.910 7.684 4.613 1.00 22.43 C ATOM 1192 NH1 ARG A2086 12.841 6.668 5.500 1.00 62.14 N ATOM 1193 NH2 ARG A2086 13.947 7.798 3.806 1.00 42.22 N ATOM 0 H ARG A2086 7.492 9.017 4.367 1.00 3.13 H new ATOM 0 HA ARG A2086 6.876 10.931 6.329 1.00 11.33 H new ATOM 0 HB2 ARG A2086 9.023 10.429 7.219 1.00 44.02 H new ATOM 0 HB3 ARG A2086 8.482 8.938 6.474 1.00 44.02 H new ATOM 0 HG2 ARG A2086 9.766 10.224 4.356 1.00 25.01 H new ATOM 0 HG3 ARG A2086 10.744 10.704 5.729 1.00 25.01 H new ATOM 0 HD2 ARG A2086 10.968 8.294 6.402 1.00 35.34 H new ATOM 0 HD3 ARG A2086 10.008 7.823 5.014 1.00 35.34 H new ATOM 0 HE ARG A2086 12.010 9.345 3.851 1.00 53.45 H new ATOM 0 HH11 ARG A2086 12.034 6.585 6.119 1.00 62.14 H new ATOM 0 HH12 ARG A2086 13.596 5.984 5.551 1.00 62.14 H new ATOM 0 HH21 ARG A2086 13.990 8.566 3.137 1.00 42.22 H new ATOM 0 HH22 ARG A2086 14.706 7.118 3.851 1.00 42.22 H new ATOM 1205 N LYS A2087 8.523 11.970 3.724 1.00 52.41 N ATOM 1206 CA LYS A2087 9.046 13.139 3.040 1.00 61.12 C ATOM 1207 C LYS A2087 7.992 14.250 3.057 1.00 34.11 C ATOM 1208 O LYS A2087 8.264 15.361 3.507 1.00 14.25 O ATOM 1209 CB LYS A2087 9.525 12.769 1.634 1.00 22.43 C ATOM 1210 CG LYS A2087 11.036 12.960 1.502 1.00 52.22 C ATOM 1211 CD LYS A2087 11.595 12.139 0.339 1.00 71.33 C ATOM 1212 CE LYS A2087 12.830 12.811 -0.266 1.00 31.35 C ATOM 1213 NZ LYS A2087 13.975 11.873 -0.276 1.00 43.53 N ATOM 0 H LYS A2087 8.451 11.133 3.145 1.00 52.41 H new ATOM 0 HA LYS A2087 9.924 13.523 3.561 1.00 61.12 H new ATOM 0 HB2 LYS A2087 9.266 11.732 1.419 1.00 22.43 H new ATOM 0 HB3 LYS A2087 9.011 13.386 0.897 1.00 22.43 H new ATOM 0 HG2 LYS A2087 11.260 14.015 1.347 1.00 52.22 H new ATOM 0 HG3 LYS A2087 11.526 12.663 2.429 1.00 52.22 H new ATOM 0 HD2 LYS A2087 11.855 11.139 0.687 1.00 71.33 H new ATOM 0 HD3 LYS A2087 10.829 12.020 -0.428 1.00 71.33 H new ATOM 0 HE2 LYS A2087 12.612 13.140 -1.282 1.00 31.35 H new ATOM 0 HE3 LYS A2087 13.086 13.701 0.309 1.00 31.35 H new ATOM 0 HZ1 LYS A2087 14.805 12.343 -0.689 1.00 43.53 H new ATOM 0 HZ2 LYS A2087 14.192 11.580 0.698 1.00 43.53 H new ATOM 0 HZ3 LYS A2087 13.733 11.036 -0.844 1.00 43.53 H new ATOM 1226 N TYR A2088 6.811 13.908 2.561 1.00 72.10 N ATOM 1227 CA TYR A2088 5.717 14.861 2.514 1.00 33.40 C ATOM 1228 C TYR A2088 5.231 15.209 3.924 1.00 63.22 C ATOM 1229 O TYR A2088 4.833 16.343 4.185 1.00 72.24 O ATOM 1230 CB TYR A2088 4.584 14.165 1.756 1.00 41.13 C ATOM 1231 CG TYR A2088 3.195 14.734 2.053 1.00 63.22 C ATOM 1232 CD1 TYR A2088 2.754 15.862 1.391 1.00 0.43 C ATOM 1233 CD2 TYR A2088 2.383 14.116 2.983 1.00 61.31 C ATOM 1234 CE1 TYR A2088 1.447 16.396 1.671 1.00 33.23 C ATOM 1235 CE2 TYR A2088 1.074 14.651 3.262 1.00 55.43 C ATOM 1236 CZ TYR A2088 0.672 15.765 2.593 1.00 33.22 C ATOM 1237 OH TYR A2088 -0.564 16.270 2.856 1.00 22.32 O ATOM 0 H TYR A2088 6.589 12.985 2.189 1.00 72.10 H new ATOM 0 HA TYR A2088 6.035 15.787 2.035 1.00 33.40 H new ATOM 0 HB2 TYR A2088 4.776 14.242 0.686 1.00 41.13 H new ATOM 0 HB3 TYR A2088 4.592 13.104 2.006 1.00 41.13 H new ATOM 0 HD1 TYR A2088 3.390 16.344 0.663 1.00 0.43 H new ATOM 0 HD2 TYR A2088 2.728 13.233 3.501 1.00 61.31 H new ATOM 0 HE1 TYR A2088 1.090 17.278 1.160 1.00 33.23 H new ATOM 0 HE2 TYR A2088 0.427 14.178 3.986 1.00 55.43 H new ATOM 0 HH TYR A2088 -0.915 16.710 2.054 1.00 22.32 H new ATOM 1247 N MET A2089 5.281 14.211 4.794 1.00 34.15 N ATOM 1248 CA MET A2089 4.852 14.399 6.171 1.00 63.20 C ATOM 1249 C MET A2089 5.793 15.348 6.915 1.00 63.31 C ATOM 1250 O MET A2089 5.344 16.300 7.553 1.00 45.40 O ATOM 1251 CB MET A2089 4.821 13.045 6.884 1.00 12.40 C ATOM 1252 CG MET A2089 3.570 12.252 6.503 1.00 45.10 C ATOM 1253 SD MET A2089 2.763 11.644 7.973 1.00 34.51 S ATOM 1254 CE MET A2089 1.093 12.195 7.661 1.00 25.51 C ATOM 0 H MET A2089 5.611 13.271 4.574 1.00 34.15 H new ATOM 0 HA MET A2089 3.855 14.840 6.165 1.00 63.20 H new ATOM 0 HB2 MET A2089 5.712 12.473 6.624 1.00 12.40 H new ATOM 0 HB3 MET A2089 4.844 13.198 7.963 1.00 12.40 H new ATOM 0 HG2 MET A2089 2.886 12.885 5.938 1.00 45.10 H new ATOM 0 HG3 MET A2089 3.841 11.418 5.855 1.00 45.10 H new ATOM 0 HE1 MET A2089 0.929 13.154 8.151 1.00 25.51 H new ATOM 0 HE2 MET A2089 0.941 12.306 6.587 1.00 25.51 H new ATOM 0 HE3 MET A2089 0.389 11.462 8.054 1.00 25.51 H new ATOM 1264 N LYS A2090 7.080 15.056 6.808 1.00 2.44 N ATOM 1265 CA LYS A2090 8.089 15.873 7.463 1.00 32.41 C ATOM 1266 C LYS A2090 8.038 17.293 6.896 1.00 22.32 C ATOM 1267 O LYS A2090 7.838 18.254 7.635 1.00 33.31 O ATOM 1268 CB LYS A2090 9.465 15.215 7.352 1.00 5.04 C ATOM 1269 CG LYS A2090 10.316 15.508 8.591 1.00 65.44 C ATOM 1270 CD LYS A2090 10.793 16.961 8.596 1.00 22.12 C ATOM 1271 CE LYS A2090 10.651 17.580 9.987 1.00 43.13 C ATOM 1272 NZ LYS A2090 11.593 18.709 10.152 1.00 11.50 N ATOM 0 H LYS A2090 7.448 14.266 6.278 1.00 2.44 H new ATOM 0 HA LYS A2090 7.883 15.949 8.531 1.00 32.41 H new ATOM 0 HB2 LYS A2090 9.348 14.138 7.233 1.00 5.04 H new ATOM 0 HB3 LYS A2090 9.976 15.580 6.461 1.00 5.04 H new ATOM 0 HG2 LYS A2090 9.735 15.309 9.491 1.00 65.44 H new ATOM 0 HG3 LYS A2090 11.176 14.839 8.613 1.00 65.44 H new ATOM 0 HD2 LYS A2090 11.835 17.007 8.279 1.00 22.12 H new ATOM 0 HD3 LYS A2090 10.215 17.540 7.876 1.00 22.12 H new ATOM 0 HE2 LYS A2090 9.628 17.928 10.134 1.00 43.13 H new ATOM 0 HE3 LYS A2090 10.843 16.824 10.749 1.00 43.13 H new ATOM 0 HZ1 LYS A2090 11.483 19.117 11.102 1.00 11.50 H new ATOM 0 HZ2 LYS A2090 12.568 18.368 10.033 1.00 11.50 H new ATOM 0 HZ3 LYS A2090 11.391 19.437 9.437 1.00 11.50 H new ATOM 1285 N SER A2091 8.223 17.378 5.586 1.00 34.54 N ATOM 1286 CA SER A2091 8.201 18.664 4.910 1.00 72.42 C ATOM 1287 C SER A2091 8.501 18.478 3.421 1.00 14.23 C ATOM 1288 O SER A2091 9.536 18.929 2.933 1.00 4.14 O ATOM 1289 CB SER A2091 9.205 19.634 5.537 1.00 23.25 C ATOM 1290 OG SER A2091 8.562 20.636 6.319 1.00 4.20 O ATOM 0 H SER A2091 8.389 16.578 4.976 1.00 34.54 H new ATOM 0 HA SER A2091 7.205 19.092 5.023 1.00 72.42 H new ATOM 0 HB2 SER A2091 9.903 19.078 6.163 1.00 23.25 H new ATOM 0 HB3 SER A2091 9.791 20.109 4.750 1.00 23.25 H new ATOM 0 HG SER A2091 8.087 20.214 7.065 1.00 4.20 H new ATOM 1296 N GLY A2092 7.576 17.814 2.742 1.00 12.31 N ATOM 1297 CA GLY A2092 7.728 17.563 1.320 1.00 62.41 C ATOM 1298 C GLY A2092 6.698 18.354 0.511 1.00 1.50 C ATOM 1299 O GLY A2092 6.534 19.556 0.713 1.00 44.44 O ATOM 0 H GLY A2092 6.719 17.443 3.151 1.00 12.31 H new ATOM 0 HA2 GLY A2092 8.734 17.839 1.004 1.00 62.41 H new ATOM 0 HA3 GLY A2092 7.612 16.498 1.121 1.00 62.41 H new ATOM 1303 N ASN A2093 6.029 17.645 -0.388 1.00 42.54 N ATOM 1304 CA ASN A2093 5.019 18.266 -1.229 1.00 12.11 C ATOM 1305 C ASN A2093 4.113 17.180 -1.814 1.00 0.40 C ATOM 1306 O ASN A2093 4.428 15.993 -1.734 1.00 51.44 O ATOM 1307 CB ASN A2093 5.662 19.023 -2.392 1.00 20.42 C ATOM 1308 CG ASN A2093 5.429 20.529 -2.261 1.00 61.42 C ATOM 1309 OD1 ASN A2093 4.961 21.025 -1.249 1.00 72.31 O ATOM 1310 ND2 ASN A2093 5.783 21.228 -3.336 1.00 24.50 N ATOM 0 H ASN A2093 6.167 16.648 -0.552 1.00 42.54 H new ATOM 0 HA ASN A2093 4.450 18.964 -0.615 1.00 12.11 H new ATOM 0 HB2 ASN A2093 6.732 18.818 -2.417 1.00 20.42 H new ATOM 0 HB3 ASN A2093 5.247 18.668 -3.335 1.00 20.42 H new ATOM 0 HD21 ASN A2093 5.669 22.242 -3.346 1.00 24.50 H new ATOM 0 HD22 ASN A2093 6.169 20.750 -4.151 1.00 24.50 H new ATOM 1317 N VAL A2094 3.006 17.626 -2.389 1.00 44.01 N ATOM 1318 CA VAL A2094 2.052 16.707 -2.988 1.00 50.32 C ATOM 1319 C VAL A2094 2.784 15.786 -3.965 1.00 72.45 C ATOM 1320 O VAL A2094 2.419 14.620 -4.116 1.00 62.45 O ATOM 1321 CB VAL A2094 0.912 17.490 -3.643 1.00 34.25 C ATOM 1322 CG1 VAL A2094 1.188 17.723 -5.130 1.00 2.14 C ATOM 1323 CG2 VAL A2094 -0.429 16.782 -3.437 1.00 12.25 C ATOM 0 H VAL A2094 2.748 18.611 -2.453 1.00 44.01 H new ATOM 0 HA VAL A2094 1.597 16.076 -2.225 1.00 50.32 H new ATOM 0 HB VAL A2094 0.854 18.464 -3.158 1.00 34.25 H new ATOM 0 HG11 VAL A2094 0.362 18.282 -5.570 1.00 2.14 H new ATOM 0 HG12 VAL A2094 2.111 18.291 -5.244 1.00 2.14 H new ATOM 0 HG13 VAL A2094 1.287 16.763 -5.636 1.00 2.14 H new ATOM 0 HG21 VAL A2094 -1.222 17.359 -3.912 1.00 12.25 H new ATOM 0 HG22 VAL A2094 -0.388 15.788 -3.882 1.00 12.25 H new ATOM 0 HG23 VAL A2094 -0.634 16.694 -2.370 1.00 12.25 H new ATOM 1333 N LYS A2095 3.802 16.342 -4.605 1.00 71.31 N ATOM 1334 CA LYS A2095 4.586 15.584 -5.565 1.00 2.15 C ATOM 1335 C LYS A2095 5.021 14.262 -4.929 1.00 64.23 C ATOM 1336 O LYS A2095 4.854 13.199 -5.527 1.00 0.24 O ATOM 1337 CB LYS A2095 5.750 16.427 -6.090 1.00 62.21 C ATOM 1338 CG LYS A2095 6.236 15.906 -7.445 1.00 54.53 C ATOM 1339 CD LYS A2095 7.653 16.401 -7.745 1.00 34.50 C ATOM 1340 CE LYS A2095 8.340 15.501 -8.774 1.00 20.33 C ATOM 1341 NZ LYS A2095 9.188 16.306 -9.682 1.00 22.40 N ATOM 0 H LYS A2095 4.102 17.309 -4.478 1.00 71.31 H new ATOM 0 HA LYS A2095 3.984 15.335 -6.439 1.00 2.15 H new ATOM 0 HB2 LYS A2095 5.436 17.466 -6.187 1.00 62.21 H new ATOM 0 HB3 LYS A2095 6.571 16.407 -5.373 1.00 62.21 H new ATOM 0 HG2 LYS A2095 6.219 14.816 -7.447 1.00 54.53 H new ATOM 0 HG3 LYS A2095 5.557 16.237 -8.231 1.00 54.53 H new ATOM 0 HD2 LYS A2095 7.613 17.424 -8.120 1.00 34.50 H new ATOM 0 HD3 LYS A2095 8.238 16.421 -6.825 1.00 34.50 H new ATOM 0 HE2 LYS A2095 8.949 14.755 -8.264 1.00 20.33 H new ATOM 0 HE3 LYS A2095 7.590 14.960 -9.351 1.00 20.33 H new ATOM 0 HZ1 LYS A2095 9.647 15.680 -10.374 1.00 22.40 H new ATOM 0 HZ2 LYS A2095 8.598 17.002 -10.182 1.00 22.40 H new ATOM 0 HZ3 LYS A2095 9.915 16.803 -9.129 1.00 22.40 H new ATOM 1354 N ASP A2096 5.572 14.372 -3.731 1.00 12.25 N ATOM 1355 CA ASP A2096 6.033 13.198 -3.008 1.00 2.41 C ATOM 1356 C ASP A2096 4.826 12.356 -2.589 1.00 52.42 C ATOM 1357 O ASP A2096 4.907 11.130 -2.541 1.00 12.42 O ATOM 1358 CB ASP A2096 6.795 13.595 -1.743 1.00 42.22 C ATOM 1359 CG ASP A2096 7.939 14.588 -1.960 1.00 63.41 C ATOM 1360 OD1 ASP A2096 7.752 15.655 -2.564 1.00 50.14 O ATOM 1361 OD2 ASP A2096 9.078 14.223 -1.477 1.00 54.14 O ATOM 0 H ASP A2096 5.710 15.256 -3.241 1.00 12.25 H new ATOM 0 HA ASP A2096 6.695 12.635 -3.666 1.00 2.41 H new ATOM 0 HB2 ASP A2096 6.090 14.026 -1.033 1.00 42.22 H new ATOM 0 HB3 ASP A2096 7.199 12.693 -1.283 1.00 42.22 H new ATOM 1367 N LEU A2097 3.735 13.049 -2.295 1.00 31.43 N ATOM 1368 CA LEU A2097 2.515 12.379 -1.881 1.00 74.14 C ATOM 1369 C LEU A2097 1.965 11.558 -3.050 1.00 33.21 C ATOM 1370 O LEU A2097 1.640 10.384 -2.887 1.00 24.30 O ATOM 1371 CB LEU A2097 1.513 13.392 -1.318 1.00 13.14 C ATOM 1372 CG LEU A2097 0.540 12.858 -0.264 1.00 24.12 C ATOM 1373 CD1 LEU A2097 -0.540 13.893 0.058 1.00 3.32 C ATOM 1374 CD2 LEU A2097 -0.060 11.520 -0.700 1.00 60.31 C ATOM 0 H LEU A2097 3.671 14.066 -2.335 1.00 31.43 H new ATOM 0 HA LEU A2097 2.721 11.681 -1.070 1.00 74.14 H new ATOM 0 HB2 LEU A2097 2.071 14.221 -0.882 1.00 13.14 H new ATOM 0 HB3 LEU A2097 0.933 13.798 -2.147 1.00 13.14 H new ATOM 0 HG LEU A2097 1.097 12.677 0.655 1.00 24.12 H new ATOM 0 HD11 LEU A2097 -1.219 13.489 0.809 1.00 3.32 H new ATOM 0 HD12 LEU A2097 -0.072 14.800 0.441 1.00 3.32 H new ATOM 0 HD13 LEU A2097 -1.100 14.128 -0.847 1.00 3.32 H new ATOM 0 HD21 LEU A2097 -0.748 11.163 0.066 1.00 60.31 H new ATOM 0 HD22 LEU A2097 -0.599 11.651 -1.638 1.00 60.31 H new ATOM 0 HD23 LEU A2097 0.739 10.791 -0.839 1.00 60.31 H new ATOM 1386 N THR A2098 1.879 12.211 -4.201 1.00 14.22 N ATOM 1387 CA THR A2098 1.375 11.555 -5.396 1.00 54.24 C ATOM 1388 C THR A2098 2.238 10.340 -5.741 1.00 32.35 C ATOM 1389 O THR A2098 1.716 9.284 -6.099 1.00 41.51 O ATOM 1390 CB THR A2098 1.317 12.596 -6.515 1.00 41.02 C ATOM 1391 OG1 THR A2098 0.151 13.359 -6.219 1.00 61.53 O ATOM 1392 CG2 THR A2098 1.016 11.971 -7.880 1.00 14.41 C ATOM 0 H THR A2098 2.149 13.186 -4.331 1.00 14.22 H new ATOM 0 HA THR A2098 0.369 11.166 -5.240 1.00 54.24 H new ATOM 0 HB THR A2098 2.265 13.133 -6.561 1.00 41.02 H new ATOM 0 HG1 THR A2098 0.038 14.059 -6.895 1.00 61.53 H new ATOM 0 HG21 THR A2098 0.986 12.752 -8.639 1.00 14.41 H new ATOM 0 HG22 THR A2098 1.796 11.252 -8.131 1.00 14.41 H new ATOM 0 HG23 THR A2098 0.052 11.463 -7.843 1.00 14.41 H new ATOM 1400 N GLN A2099 3.545 10.528 -5.622 1.00 33.42 N ATOM 1401 CA GLN A2099 4.485 9.460 -5.915 1.00 55.14 C ATOM 1402 C GLN A2099 4.231 8.261 -4.999 1.00 71.40 C ATOM 1403 O GLN A2099 4.232 7.117 -5.452 1.00 10.11 O ATOM 1404 CB GLN A2099 5.928 9.950 -5.789 1.00 44.11 C ATOM 1405 CG GLN A2099 6.615 9.990 -7.157 1.00 52.14 C ATOM 1406 CD GLN A2099 7.235 11.363 -7.418 1.00 61.33 C ATOM 1407 OE1 GLN A2099 6.559 12.327 -7.743 1.00 12.53 O ATOM 1408 NE2 GLN A2099 8.556 11.401 -7.261 1.00 42.02 N ATOM 0 H GLN A2099 3.975 11.405 -5.326 1.00 33.42 H new ATOM 0 HA GLN A2099 4.332 9.142 -6.946 1.00 55.14 H new ATOM 0 HB2 GLN A2099 5.941 10.944 -5.342 1.00 44.11 H new ATOM 0 HB3 GLN A2099 6.482 9.293 -5.119 1.00 44.11 H new ATOM 0 HG2 GLN A2099 7.388 9.223 -7.202 1.00 52.14 H new ATOM 0 HG3 GLN A2099 5.891 9.759 -7.939 1.00 52.14 H new ATOM 0 HE21 GLN A2099 9.062 10.558 -6.988 1.00 42.02 H new ATOM 0 HE22 GLN A2099 9.063 12.273 -7.414 1.00 42.02 H new ATOM 1417 N ALA A2100 4.018 8.564 -3.727 1.00 15.31 N ATOM 1418 CA ALA A2100 3.763 7.526 -2.743 1.00 3.22 C ATOM 1419 C ALA A2100 2.457 6.808 -3.092 1.00 15.40 C ATOM 1420 O ALA A2100 2.365 5.587 -2.972 1.00 71.15 O ATOM 1421 CB ALA A2100 3.732 8.144 -1.344 1.00 71.25 C ATOM 0 H ALA A2100 4.017 9.514 -3.355 1.00 15.31 H new ATOM 0 HA ALA A2100 4.561 6.784 -2.754 1.00 3.22 H new ATOM 0 HB1 ALA A2100 3.541 7.365 -0.606 1.00 71.25 H new ATOM 0 HB2 ALA A2100 4.692 8.616 -1.133 1.00 71.25 H new ATOM 0 HB3 ALA A2100 2.941 8.893 -1.294 1.00 71.25 H new ATOM 1427 N TRP A2101 1.480 7.597 -3.514 1.00 14.51 N ATOM 1428 CA TRP A2101 0.184 7.053 -3.882 1.00 60.22 C ATOM 1429 C TRP A2101 0.353 6.268 -5.184 1.00 72.53 C ATOM 1430 O TRP A2101 -0.371 5.305 -5.432 1.00 72.12 O ATOM 1431 CB TRP A2101 -0.867 8.160 -3.982 1.00 20.24 C ATOM 1432 CG TRP A2101 -1.972 8.065 -2.926 1.00 12.23 C ATOM 1433 CD1 TRP A2101 -2.149 8.839 -1.847 1.00 51.35 C ATOM 1434 CD2 TRP A2101 -3.049 7.107 -2.892 1.00 12.33 C ATOM 1435 NE1 TRP A2101 -3.259 8.452 -1.124 1.00 25.50 N ATOM 1436 CE2 TRP A2101 -3.825 7.365 -1.781 1.00 12.45 C ATOM 1437 CE3 TRP A2101 -3.361 6.056 -3.774 1.00 32.33 C ATOM 1438 CZ2 TRP A2101 -4.958 6.618 -1.446 1.00 24.12 C ATOM 1439 CZ3 TRP A2101 -4.497 5.318 -3.425 1.00 73.34 C ATOM 1440 CH2 TRP A2101 -5.288 5.566 -2.309 1.00 20.13 C ATOM 0 H TRP A2101 1.560 8.609 -3.609 1.00 14.51 H new ATOM 0 HA TRP A2101 -0.182 6.374 -3.112 1.00 60.22 H new ATOM 0 HB2 TRP A2101 -0.372 9.127 -3.889 1.00 20.24 H new ATOM 0 HB3 TRP A2101 -1.321 8.128 -4.972 1.00 20.24 H new ATOM 0 HD1 TRP A2101 -1.504 9.662 -1.577 1.00 51.35 H new ATOM 0 HE1 TRP A2101 -3.601 8.884 -0.266 1.00 25.50 H new ATOM 0 HE3 TRP A2101 -2.770 5.836 -4.651 1.00 32.33 H new ATOM 0 HZ2 TRP A2101 -5.547 6.840 -0.569 1.00 24.12 H new ATOM 0 HZ3 TRP A2101 -4.780 4.498 -4.068 1.00 73.34 H new ATOM 0 HH2 TRP A2101 -6.153 4.950 -2.109 1.00 20.13 H new ATOM 1451 N ASP A2102 1.312 6.712 -5.984 1.00 24.41 N ATOM 1452 CA ASP A2102 1.584 6.063 -7.255 1.00 65.52 C ATOM 1453 C ASP A2102 2.207 4.688 -7.001 1.00 54.53 C ATOM 1454 O ASP A2102 1.746 3.685 -7.541 1.00 30.12 O ATOM 1455 CB ASP A2102 2.572 6.881 -8.091 1.00 72.33 C ATOM 1456 CG ASP A2102 2.250 6.954 -9.586 1.00 21.22 C ATOM 1457 OD1 ASP A2102 1.464 6.149 -10.108 1.00 21.50 O ATOM 1458 OD2 ASP A2102 2.853 7.895 -10.227 1.00 64.44 O ATOM 0 H ASP A2102 1.909 7.512 -5.777 1.00 24.41 H new ATOM 0 HA ASP A2102 0.641 5.973 -7.794 1.00 65.52 H new ATOM 0 HB2 ASP A2102 2.609 7.895 -7.693 1.00 72.33 H new ATOM 0 HB3 ASP A2102 3.568 6.454 -7.970 1.00 72.33 H new ATOM 1464 N LEU A2103 3.245 4.689 -6.176 1.00 70.13 N ATOM 1465 CA LEU A2103 3.934 3.455 -5.843 1.00 13.24 C ATOM 1466 C LEU A2103 2.927 2.445 -5.290 1.00 64.22 C ATOM 1467 O LEU A2103 2.842 1.318 -5.774 1.00 62.22 O ATOM 1468 CB LEU A2103 5.106 3.734 -4.898 1.00 2.30 C ATOM 1469 CG LEU A2103 6.116 4.781 -5.376 1.00 33.43 C ATOM 1470 CD1 LEU A2103 6.685 5.571 -4.194 1.00 24.01 C ATOM 1471 CD2 LEU A2103 7.219 4.135 -6.217 1.00 60.30 C ATOM 0 H LEU A2103 3.624 5.524 -5.730 1.00 70.13 H new ATOM 0 HA LEU A2103 4.372 3.011 -6.737 1.00 13.24 H new ATOM 0 HB2 LEU A2103 4.704 4.057 -3.938 1.00 2.30 H new ATOM 0 HB3 LEU A2103 5.637 2.798 -4.723 1.00 2.30 H new ATOM 0 HG LEU A2103 5.595 5.491 -6.019 1.00 33.43 H new ATOM 0 HD11 LEU A2103 7.400 6.308 -4.559 1.00 24.01 H new ATOM 0 HD12 LEU A2103 5.874 6.079 -3.672 1.00 24.01 H new ATOM 0 HD13 LEU A2103 7.187 4.888 -3.508 1.00 24.01 H new ATOM 0 HD21 LEU A2103 7.923 4.900 -6.544 1.00 60.30 H new ATOM 0 HD22 LEU A2103 7.744 3.391 -5.618 1.00 60.30 H new ATOM 0 HD23 LEU A2103 6.777 3.653 -7.089 1.00 60.30 H new ATOM 1483 N TYR A2104 2.188 2.886 -4.281 1.00 42.24 N ATOM 1484 CA TYR A2104 1.191 2.034 -3.657 1.00 74.14 C ATOM 1485 C TYR A2104 0.212 1.484 -4.698 1.00 25.10 C ATOM 1486 O TYR A2104 0.045 0.271 -4.816 1.00 71.23 O ATOM 1487 CB TYR A2104 0.426 2.929 -2.679 1.00 52.25 C ATOM 1488 CG TYR A2104 1.270 3.433 -1.507 1.00 32.11 C ATOM 1489 CD1 TYR A2104 2.243 2.623 -0.959 1.00 52.01 C ATOM 1490 CD2 TYR A2104 1.058 4.698 -0.997 1.00 11.14 C ATOM 1491 CE1 TYR A2104 3.040 3.098 0.143 1.00 34.44 C ATOM 1492 CE2 TYR A2104 1.852 5.172 0.106 1.00 50.40 C ATOM 1493 CZ TYR A2104 2.804 4.349 0.621 1.00 33.55 C ATOM 1494 OH TYR A2104 3.555 4.796 1.663 1.00 13.15 O ATOM 0 H TYR A2104 2.261 3.822 -3.881 1.00 42.24 H new ATOM 0 HA TYR A2104 1.664 1.184 -3.165 1.00 74.14 H new ATOM 0 HB2 TYR A2104 0.028 3.786 -3.222 1.00 52.25 H new ATOM 0 HB3 TYR A2104 -0.427 2.376 -2.287 1.00 52.25 H new ATOM 0 HD1 TYR A2104 2.407 1.632 -1.356 1.00 52.01 H new ATOM 0 HD2 TYR A2104 0.296 5.332 -1.426 1.00 11.14 H new ATOM 0 HE1 TYR A2104 3.807 2.475 0.579 1.00 34.44 H new ATOM 0 HE2 TYR A2104 1.695 6.159 0.515 1.00 50.40 H new ATOM 0 HH TYR A2104 3.278 5.706 1.899 1.00 13.15 H new ATOM 1504 N TYR A2105 -0.411 2.401 -5.422 1.00 53.45 N ATOM 1505 CA TYR A2105 -1.366 2.023 -6.448 1.00 41.12 C ATOM 1506 C TYR A2105 -0.802 0.920 -7.344 1.00 32.31 C ATOM 1507 O TYR A2105 -1.540 0.047 -7.801 1.00 11.24 O ATOM 1508 CB TYR A2105 -1.600 3.278 -7.291 1.00 40.02 C ATOM 1509 CG TYR A2105 -2.787 3.171 -8.252 1.00 54.20 C ATOM 1510 CD1 TYR A2105 -3.553 2.024 -8.276 1.00 13.44 C ATOM 1511 CD2 TYR A2105 -3.091 4.222 -9.093 1.00 1.01 C ATOM 1512 CE1 TYR A2105 -4.671 1.922 -9.179 1.00 42.31 C ATOM 1513 CE2 TYR A2105 -4.207 4.121 -9.997 1.00 14.53 C ATOM 1514 CZ TYR A2105 -4.941 2.976 -9.996 1.00 31.31 C ATOM 1515 OH TYR A2105 -5.996 2.882 -10.848 1.00 33.03 O ATOM 0 H TYR A2105 -0.273 3.406 -5.318 1.00 53.45 H new ATOM 0 HA TYR A2105 -2.283 1.646 -5.996 1.00 41.12 H new ATOM 0 HB2 TYR A2105 -1.760 4.126 -6.625 1.00 40.02 H new ATOM 0 HB3 TYR A2105 -0.699 3.490 -7.866 1.00 40.02 H new ATOM 0 HD1 TYR A2105 -3.314 1.202 -7.617 1.00 13.44 H new ATOM 0 HD2 TYR A2105 -2.492 5.120 -9.073 1.00 1.01 H new ATOM 0 HE1 TYR A2105 -5.280 1.031 -9.207 1.00 42.31 H new ATOM 0 HE2 TYR A2105 -4.456 4.936 -10.661 1.00 14.53 H new ATOM 0 HH TYR A2105 -6.070 3.709 -11.369 1.00 33.03 H new ATOM 1525 N HIS A2106 0.502 0.992 -7.569 1.00 72.22 N ATOM 1526 CA HIS A2106 1.174 0.011 -8.403 1.00 41.32 C ATOM 1527 C HIS A2106 1.139 -1.354 -7.716 1.00 22.24 C ATOM 1528 O HIS A2106 0.694 -2.341 -8.305 1.00 13.44 O ATOM 1529 CB HIS A2106 2.595 0.466 -8.743 1.00 55.14 C ATOM 1530 CG HIS A2106 2.901 0.468 -10.222 1.00 11.11 C ATOM 1531 ND1 HIS A2106 3.594 1.492 -10.842 1.00 3.24 N ATOM 1532 CD2 HIS A2106 2.603 -0.441 -11.195 1.00 13.45 C ATOM 1533 CE1 HIS A2106 3.702 1.203 -12.131 1.00 22.14 C ATOM 1534 NE2 HIS A2106 3.088 0.005 -12.347 1.00 72.22 N ATOM 0 H HIS A2106 1.111 1.716 -7.187 1.00 72.22 H new ATOM 0 HA HIS A2106 0.649 -0.084 -9.353 1.00 41.32 H new ATOM 0 HB2 HIS A2106 2.748 1.471 -8.349 1.00 55.14 H new ATOM 0 HB3 HIS A2106 3.306 -0.187 -8.236 1.00 55.14 H new ATOM 0 HD2 HIS A2106 2.064 -1.366 -11.052 1.00 13.45 H new ATOM 0 HE1 HIS A2106 4.191 1.810 -12.879 1.00 22.14 H new ATOM 0 HE2 HIS A2106 3.014 -0.470 -13.246 1.00 72.22 H new ATOM 1543 N VAL A2107 1.614 -1.373 -6.479 1.00 10.42 N ATOM 1544 CA VAL A2107 1.642 -2.602 -5.705 1.00 41.31 C ATOM 1545 C VAL A2107 0.211 -3.087 -5.473 1.00 1.04 C ATOM 1546 O VAL A2107 -0.101 -4.251 -5.716 1.00 23.55 O ATOM 1547 CB VAL A2107 2.418 -2.382 -4.404 1.00 21.44 C ATOM 1548 CG1 VAL A2107 3.510 -1.327 -4.586 1.00 64.22 C ATOM 1549 CG2 VAL A2107 1.474 -2.003 -3.261 1.00 52.42 C ATOM 0 H VAL A2107 1.983 -0.555 -5.993 1.00 10.42 H new ATOM 0 HA VAL A2107 2.165 -3.386 -6.252 1.00 41.31 H new ATOM 0 HB VAL A2107 2.903 -3.322 -4.141 1.00 21.44 H new ATOM 0 HG11 VAL A2107 4.045 -1.191 -3.646 1.00 64.22 H new ATOM 0 HG12 VAL A2107 4.208 -1.655 -5.357 1.00 64.22 H new ATOM 0 HG13 VAL A2107 3.057 -0.382 -4.885 1.00 64.22 H new ATOM 0 HG21 VAL A2107 2.050 -1.852 -2.348 1.00 52.42 H new ATOM 0 HG22 VAL A2107 0.947 -1.083 -3.514 1.00 52.42 H new ATOM 0 HG23 VAL A2107 0.751 -2.804 -3.106 1.00 52.42 H new ATOM 1559 N PHE A2108 -0.623 -2.170 -5.005 1.00 50.31 N ATOM 1560 CA PHE A2108 -2.015 -2.491 -4.738 1.00 40.44 C ATOM 1561 C PHE A2108 -2.705 -3.023 -5.995 1.00 74.23 C ATOM 1562 O PHE A2108 -3.640 -3.820 -5.903 1.00 43.51 O ATOM 1563 CB PHE A2108 -2.699 -1.191 -4.308 1.00 54.52 C ATOM 1564 CG PHE A2108 -2.642 -0.928 -2.802 1.00 14.51 C ATOM 1565 CD1 PHE A2108 -3.574 -1.480 -1.979 1.00 73.04 C ATOM 1566 CD2 PHE A2108 -1.660 -0.143 -2.283 1.00 11.22 C ATOM 1567 CE1 PHE A2108 -3.522 -1.237 -0.581 1.00 40.01 C ATOM 1568 CE2 PHE A2108 -1.607 0.101 -0.885 1.00 63.24 C ATOM 1569 CZ PHE A2108 -2.540 -0.451 -0.063 1.00 63.20 C ATOM 0 H PHE A2108 -0.362 -1.205 -4.804 1.00 50.31 H new ATOM 0 HA PHE A2108 -2.079 -3.259 -3.967 1.00 40.44 H new ATOM 0 HB2 PHE A2108 -2.232 -0.356 -4.830 1.00 54.52 H new ATOM 0 HB3 PHE A2108 -3.742 -1.220 -4.622 1.00 54.52 H new ATOM 0 HD1 PHE A2108 -4.354 -2.104 -2.389 1.00 73.04 H new ATOM 0 HD2 PHE A2108 -0.919 0.296 -2.935 1.00 11.22 H new ATOM 0 HE1 PHE A2108 -4.262 -1.676 0.071 1.00 40.01 H new ATOM 0 HE2 PHE A2108 -0.826 0.724 -0.475 1.00 63.24 H new ATOM 0 HZ PHE A2108 -2.501 -0.265 1.000 1.00 63.20 H new ATOM 1579 N ARG A2109 -2.221 -2.563 -7.139 1.00 23.32 N ATOM 1580 CA ARG A2109 -2.781 -2.982 -8.412 1.00 1.42 C ATOM 1581 C ARG A2109 -2.312 -4.398 -8.755 1.00 62.11 C ATOM 1582 O ARG A2109 -3.079 -5.197 -9.290 1.00 34.43 O ATOM 1583 CB ARG A2109 -2.369 -2.030 -9.535 1.00 73.21 C ATOM 1584 CG ARG A2109 -3.454 -0.981 -9.789 1.00 52.31 C ATOM 1585 CD ARG A2109 -3.624 -0.716 -11.287 1.00 32.14 C ATOM 1586 NE ARG A2109 -5.022 -0.332 -11.577 1.00 72.02 N ATOM 1587 CZ ARG A2109 -5.416 0.295 -12.706 1.00 53.41 C ATOM 1588 NH1 ARG A2109 -4.517 0.614 -13.660 1.00 65.25 N ATOM 1589 NH2 ARG A2109 -6.692 0.593 -12.862 1.00 31.54 N ATOM 0 H ARG A2109 -1.446 -1.903 -7.211 1.00 23.32 H new ATOM 0 HA ARG A2109 -3.867 -2.966 -8.319 1.00 1.42 H new ATOM 0 HB2 ARG A2109 -1.434 -1.535 -9.273 1.00 73.21 H new ATOM 0 HB3 ARG A2109 -2.185 -2.596 -10.448 1.00 73.21 H new ATOM 0 HG2 ARG A2109 -4.400 -1.322 -9.367 1.00 52.31 H new ATOM 0 HG3 ARG A2109 -3.194 -0.053 -9.280 1.00 52.31 H new ATOM 0 HD2 ARG A2109 -2.947 0.078 -11.603 1.00 32.14 H new ATOM 0 HD3 ARG A2109 -3.358 -1.607 -11.855 1.00 32.14 H new ATOM 0 HE ARG A2109 -5.733 -0.555 -10.881 1.00 72.02 H new ATOM 0 HH11 ARG A2109 -3.532 0.382 -13.531 1.00 65.25 H new ATOM 0 HH12 ARG A2109 -4.822 1.088 -14.510 1.00 65.25 H new ATOM 0 HH21 ARG A2109 -7.365 0.350 -12.135 1.00 31.54 H new ATOM 0 HH22 ARG A2109 -7.005 1.067 -13.709 1.00 31.54 H new ATOM 1601 N ARG A2110 -1.053 -4.665 -8.435 1.00 63.43 N ATOM 1602 CA ARG A2110 -0.474 -5.969 -8.705 1.00 2.32 C ATOM 1603 C ARG A2110 -1.228 -7.055 -7.936 1.00 32.02 C ATOM 1604 O ARG A2110 -1.646 -8.055 -8.514 1.00 60.45 O ATOM 1605 CB ARG A2110 1.005 -6.007 -8.311 1.00 21.33 C ATOM 1606 CG ARG A2110 1.889 -5.501 -9.452 1.00 11.13 C ATOM 1607 CD ARG A2110 2.157 -6.610 -10.471 1.00 24.04 C ATOM 1608 NE ARG A2110 1.846 -6.128 -11.836 1.00 24.12 N ATOM 1609 CZ ARG A2110 2.324 -6.695 -12.965 1.00 35.31 C ATOM 1610 NH1 ARG A2110 3.138 -7.769 -12.900 1.00 65.21 N ATOM 1611 NH2 ARG A2110 1.981 -6.182 -14.131 1.00 71.25 N ATOM 0 H ARG A2110 -0.419 -4.000 -7.992 1.00 63.43 H new ATOM 0 HA ARG A2110 -0.558 -6.154 -9.776 1.00 2.32 H new ATOM 0 HB2 ARG A2110 1.165 -5.395 -7.424 1.00 21.33 H new ATOM 0 HB3 ARG A2110 1.290 -7.026 -8.050 1.00 21.33 H new ATOM 0 HG2 ARG A2110 1.405 -4.658 -9.945 1.00 11.13 H new ATOM 0 HG3 ARG A2110 2.834 -5.135 -9.050 1.00 11.13 H new ATOM 0 HD2 ARG A2110 3.200 -6.922 -10.415 1.00 24.04 H new ATOM 0 HD3 ARG A2110 1.549 -7.484 -10.238 1.00 24.04 H new ATOM 0 HE ARG A2110 1.233 -5.318 -11.930 1.00 24.12 H new ATOM 0 HH11 ARG A2110 3.397 -8.159 -11.994 1.00 65.21 H new ATOM 0 HH12 ARG A2110 3.495 -8.191 -13.757 1.00 65.21 H new ATOM 0 HH21 ARG A2110 1.364 -5.370 -14.170 1.00 71.25 H new ATOM 0 HH22 ARG A2110 2.332 -6.597 -14.994 1.00 71.25 H new ATOM 1623 N ILE A2111 -1.379 -6.820 -6.639 1.00 61.13 N ATOM 1624 CA ILE A2111 -2.075 -7.765 -5.784 1.00 74.12 C ATOM 1625 C ILE A2111 -3.396 -8.166 -6.444 1.00 23.32 C ATOM 1626 O ILE A2111 -3.899 -9.266 -6.216 1.00 33.11 O ATOM 1627 CB ILE A2111 -2.242 -7.191 -4.376 1.00 33.31 C ATOM 1628 CG1 ILE A2111 -2.820 -5.775 -4.426 1.00 54.33 C ATOM 1629 CG2 ILE A2111 -0.923 -7.242 -3.602 1.00 71.22 C ATOM 1630 CD1 ILE A2111 -3.030 -5.218 -3.016 1.00 14.15 C ATOM 0 H ILE A2111 -1.031 -5.989 -6.161 1.00 61.13 H new ATOM 0 HA ILE A2111 -1.487 -8.675 -5.665 1.00 74.12 H new ATOM 0 HB ILE A2111 -2.957 -7.813 -3.837 1.00 33.31 H new ATOM 0 HG12 ILE A2111 -2.146 -5.123 -4.982 1.00 54.33 H new ATOM 0 HG13 ILE A2111 -3.769 -5.784 -4.962 1.00 54.33 H new ATOM 0 HG21 ILE A2111 -1.070 -6.828 -2.605 1.00 71.22 H new ATOM 0 HG22 ILE A2111 -0.589 -8.276 -3.520 1.00 71.22 H new ATOM 0 HG23 ILE A2111 -0.169 -6.658 -4.130 1.00 71.22 H new ATOM 0 HD11 ILE A2111 -3.441 -4.211 -3.080 1.00 14.15 H new ATOM 0 HD12 ILE A2111 -3.723 -5.859 -2.471 1.00 14.15 H new ATOM 0 HD13 ILE A2111 -2.075 -5.187 -2.491 1.00 14.15 H new ATOM 1642 N SER A2112 -3.920 -7.255 -7.250 1.00 75.13 N ATOM 1643 CA SER A2112 -5.172 -7.500 -7.943 1.00 65.32 C ATOM 1644 C SER A2112 -4.893 -8.047 -9.345 1.00 63.43 C ATOM 1645 O SER A2112 -5.454 -9.070 -9.738 1.00 52.43 O ATOM 1646 CB SER A2112 -6.013 -6.224 -8.030 1.00 3.12 C ATOM 1647 OG SER A2112 -7.071 -6.219 -7.076 1.00 53.11 O ATOM 0 H SER A2112 -3.499 -6.345 -7.439 1.00 75.13 H new ATOM 0 HA SER A2112 -5.739 -8.238 -7.376 1.00 65.32 H new ATOM 0 HB2 SER A2112 -5.374 -5.356 -7.868 1.00 3.12 H new ATOM 0 HB3 SER A2112 -6.428 -6.131 -9.033 1.00 3.12 H new ATOM 0 HG SER A2112 -7.584 -5.388 -7.161 1.00 53.11 H new ATOM 1653 N LYS A2113 -4.031 -7.342 -10.061 1.00 62.31 N ATOM 1654 CA LYS A2113 -3.673 -7.745 -11.410 1.00 3.13 C ATOM 1655 C LYS A2113 -3.526 -9.267 -11.462 1.00 60.53 C ATOM 1656 O LYS A2113 -2.773 -9.849 -10.684 1.00 42.50 O ATOM 1657 CB LYS A2113 -2.426 -6.992 -11.881 1.00 31.23 C ATOM 1658 CG LYS A2113 -2.714 -6.197 -13.156 1.00 72.02 C ATOM 1659 CD LYS A2113 -2.879 -4.708 -12.849 1.00 13.40 C ATOM 1660 CE LYS A2113 -3.824 -4.042 -13.851 1.00 52.42 C ATOM 1661 NZ LYS A2113 -3.087 -3.648 -15.073 1.00 70.31 N ATOM 0 H LYS A2113 -3.570 -6.494 -9.733 1.00 62.31 H new ATOM 0 HA LYS A2113 -4.465 -7.476 -12.110 1.00 3.13 H new ATOM 0 HB2 LYS A2113 -2.087 -6.316 -11.096 1.00 31.23 H new ATOM 0 HB3 LYS A2113 -1.617 -7.699 -12.064 1.00 31.23 H new ATOM 0 HG2 LYS A2113 -1.900 -6.337 -13.868 1.00 72.02 H new ATOM 0 HG3 LYS A2113 -3.620 -6.577 -13.629 1.00 72.02 H new ATOM 0 HD2 LYS A2113 -3.268 -4.583 -11.838 1.00 13.40 H new ATOM 0 HD3 LYS A2113 -1.906 -4.217 -12.880 1.00 13.40 H new ATOM 0 HE2 LYS A2113 -4.631 -4.727 -14.110 1.00 52.42 H new ATOM 0 HE3 LYS A2113 -4.285 -3.164 -13.398 1.00 52.42 H new ATOM 0 HZ1 LYS A2113 -3.742 -3.197 -15.743 1.00 70.31 H new ATOM 0 HZ2 LYS A2113 -2.333 -2.977 -14.822 1.00 70.31 H new ATOM 0 HZ3 LYS A2113 -2.668 -4.492 -15.513 1.00 70.31 H new ATOM 1674 N GLN A2114 -4.260 -9.868 -12.387 1.00 54.32 N ATOM 1675 CA GLN A2114 -4.223 -11.311 -12.550 1.00 21.33 C ATOM 1676 C GLN A2114 -4.120 -11.998 -11.187 1.00 71.43 C ATOM 1677 O GLN A2114 -3.027 -12.354 -10.748 1.00 10.13 O ATOM 1678 CB GLN A2114 -3.069 -11.731 -13.463 1.00 44.53 C ATOM 1679 CG GLN A2114 -3.396 -13.030 -14.201 1.00 4.22 C ATOM 1680 CD GLN A2114 -3.032 -12.926 -15.684 1.00 11.34 C ATOM 1681 OE1 GLN A2114 -3.504 -12.064 -16.405 1.00 20.21 O ATOM 1682 NE2 GLN A2114 -2.168 -13.849 -16.096 1.00 52.30 N ATOM 0 H GLN A2114 -4.884 -9.382 -13.031 1.00 54.32 H new ATOM 0 HA GLN A2114 -5.152 -11.626 -13.025 1.00 21.33 H new ATOM 0 HB2 GLN A2114 -2.866 -10.940 -14.185 1.00 44.53 H new ATOM 0 HB3 GLN A2114 -2.163 -11.863 -12.872 1.00 44.53 H new ATOM 0 HG2 GLN A2114 -2.851 -13.857 -13.747 1.00 4.22 H new ATOM 0 HG3 GLN A2114 -4.458 -13.253 -14.098 1.00 4.22 H new ATOM 0 HE21 GLN A2114 -1.811 -14.543 -15.439 1.00 52.30 H new ATOM 0 HE22 GLN A2114 -1.862 -13.863 -17.069 1.00 52.30 H new TER 1691 GLN A2114