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 167:sc= -7.53! (180deg=-2.43) USER MOD Set 1.2: A2057 MET CE :methyl 173:sc= -1.81 (180deg=-0.728) USER MOD Set 1.3: A2058 MET CE :methyl -156:sc= -14.9! (180deg=-8.1!) USER MOD Set 2.1: A2055 HIS : no HD1:sc= -7.48! K(o=-7.5!,f=-2.3) USER MOD Set 2.2: A2104 TYR OH : rot 180:sc= 0 USER MOD Single : A2014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2024 HIS : no HD1:sc= -2.77 X(o=-2.8,f=-2.7!) USER MOD Single : A2028 HIS : no HE2:sc= -0.0158 K(o=-0.016,f=-1) USER MOD Single : A2035 SER OG : rot 57:sc= 1.4 USER MOD Single : A2038 TYR OH : rot 180:sc= 0 USER MOD Single : A2043 ASN : amide:sc= -2.28 K(o=-2.3,f=-5.3!) USER MOD Single : A2045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2047 MET CE :methyl -121:sc= -5.85! (180deg=-11.4!) USER MOD Single : A2063 GLN : amide:sc= -0.954 K(o=-0.95,f=-3.2!) USER MOD Single : A2064 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A2066 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2068 THR OG1 : rot 63:sc= 0.72 USER MOD Single : A2069 SER OG : rot 180:sc= 0 USER MOD Single : A2071 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.4!) USER MOD Single : A2072 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.059) USER MOD Single : A2074 TYR OH : rot 70:sc= -1.66! USER MOD Single : A2079 MET CE :methyl -143:sc= -0.489 (180deg=-2.11!) USER MOD Single : A2082 GLN : amide:sc=-0.00317 X(o=-0.0032,f=-0.12) USER MOD Single : A2085 CYS SG : rot 93:sc= -0.737! USER MOD Single : A2087 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2088 TYR OH : rot 180:sc= 0 USER MOD Single : A2089 MET CE :methyl -119:sc= -8.04! (180deg=-14.5!) USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2091 SER OG : rot 180:sc= 0 USER MOD Single : A2093 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.48) USER MOD Single : A2095 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 75:sc= 0.0804 USER MOD Single : A2099 GLN : amide:sc= -0.691 K(o=-0.69,f=-4.5!) USER MOD Single : A2105 TYR OH : rot 180:sc= 0.282 USER MOD Single : A2106 HIS : no HD1:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A2112 SER OG : rot -25:sc= 0.151 USER MOD Single : A2113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2114 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A2014 -2.137 -16.606 -15.282 1.00 43.23 N ATOM 2 CA MET A2014 -2.283 -17.890 -14.618 1.00 11.41 C ATOM 3 C MET A2014 -1.544 -17.902 -13.279 1.00 44.01 C ATOM 4 O MET A2014 -0.323 -18.035 -13.241 1.00 23.13 O ATOM 5 CB MET A2014 -1.727 -18.995 -15.518 1.00 1.31 C ATOM 6 CG MET A2014 -2.784 -19.474 -16.516 1.00 4.01 C ATOM 7 SD MET A2014 -2.563 -21.213 -16.852 1.00 15.32 S ATOM 8 CE MET A2014 -1.414 -21.121 -18.216 1.00 73.34 C ATOM 0 HA MET A2014 -3.342 -18.062 -14.428 1.00 11.41 H new ATOM 0 HB2 MET A2014 -0.854 -18.625 -16.057 1.00 1.31 H new ATOM 0 HB3 MET A2014 -1.393 -19.833 -14.907 1.00 1.31 H new ATOM 0 HG2 MET A2014 -3.782 -19.297 -16.115 1.00 4.01 H new ATOM 0 HG3 MET A2014 -2.707 -18.904 -17.442 1.00 4.01 H new ATOM 0 HE1 MET A2014 -1.167 -22.128 -18.552 1.00 73.34 H new ATOM 0 HE2 MET A2014 -1.867 -20.565 -19.037 1.00 73.34 H new ATOM 0 HE3 MET A2014 -0.505 -20.613 -17.893 1.00 73.34 H new ATOM 18 N GLU A2015 -2.318 -17.761 -12.212 1.00 2.41 N ATOM 19 CA GLU A2015 -1.753 -17.753 -10.873 1.00 72.00 C ATOM 20 C GLU A2015 -2.165 -19.018 -10.119 1.00 12.24 C ATOM 21 O GLU A2015 -1.661 -19.285 -9.028 1.00 64.41 O ATOM 22 CB GLU A2015 -2.171 -16.498 -10.109 1.00 54.12 C ATOM 23 CG GLU A2015 -1.123 -16.122 -9.058 1.00 70.33 C ATOM 24 CD GLU A2015 -1.789 -15.717 -7.742 1.00 24.44 C ATOM 25 OE1 GLU A2015 -2.831 -16.280 -7.373 1.00 5.50 O ATOM 26 OE2 GLU A2015 -1.184 -14.783 -7.090 1.00 71.33 O ATOM 0 H GLU A2015 -3.331 -17.651 -12.248 1.00 2.41 H new ATOM 0 HA GLU A2015 -0.666 -17.740 -10.957 1.00 72.00 H new ATOM 0 HB2 GLU A2015 -2.305 -15.671 -10.806 1.00 54.12 H new ATOM 0 HB3 GLU A2015 -3.133 -16.666 -9.625 1.00 54.12 H new ATOM 0 HG2 GLU A2015 -0.455 -16.966 -8.887 1.00 70.33 H new ATOM 0 HG3 GLU A2015 -0.510 -15.300 -9.428 1.00 70.33 H new ATOM 34 N LEU A2016 -3.075 -19.764 -10.727 1.00 45.31 N ATOM 35 CA LEU A2016 -3.561 -20.994 -10.125 1.00 54.02 C ATOM 36 C LEU A2016 -4.332 -20.661 -8.846 1.00 34.43 C ATOM 37 O LEU A2016 -5.381 -20.022 -8.898 1.00 12.34 O ATOM 38 CB LEU A2016 -2.407 -21.975 -9.909 1.00 3.14 C ATOM 39 CG LEU A2016 -1.835 -22.627 -11.171 1.00 11.14 C ATOM 40 CD1 LEU A2016 -0.736 -21.757 -11.787 1.00 34.35 C ATOM 41 CD2 LEU A2016 -1.347 -24.047 -10.881 1.00 4.34 C ATOM 0 H LEU A2016 -3.489 -19.540 -11.632 1.00 45.31 H new ATOM 0 HA LEU A2016 -4.258 -21.498 -10.795 1.00 54.02 H new ATOM 0 HB2 LEU A2016 -1.600 -21.449 -9.398 1.00 3.14 H new ATOM 0 HB3 LEU A2016 -2.748 -22.764 -9.239 1.00 3.14 H new ATOM 0 HG LEU A2016 -2.634 -22.706 -11.908 1.00 11.14 H new ATOM 0 HD11 LEU A2016 -0.346 -22.242 -12.682 1.00 34.35 H new ATOM 0 HD12 LEU A2016 -1.149 -20.784 -12.053 1.00 34.35 H new ATOM 0 HD13 LEU A2016 0.070 -21.625 -11.066 1.00 34.35 H new ATOM 0 HD21 LEU A2016 -0.946 -24.487 -11.794 1.00 4.34 H new ATOM 0 HD22 LEU A2016 -0.567 -24.015 -10.120 1.00 4.34 H new ATOM 0 HD23 LEU A2016 -2.180 -24.652 -10.522 1.00 4.34 H new ATOM 53 N ILE A2017 -3.782 -21.110 -7.727 1.00 3.11 N ATOM 54 CA ILE A2017 -4.404 -20.868 -6.438 1.00 72.23 C ATOM 55 C ILE A2017 -4.576 -19.362 -6.233 1.00 12.12 C ATOM 56 O ILE A2017 -3.846 -18.565 -6.819 1.00 51.20 O ATOM 57 CB ILE A2017 -3.611 -21.553 -5.322 1.00 61.03 C ATOM 58 CG1 ILE A2017 -4.522 -22.434 -4.463 1.00 50.42 C ATOM 59 CG2 ILE A2017 -2.848 -20.528 -4.483 1.00 74.33 C ATOM 60 CD1 ILE A2017 -4.559 -23.868 -4.996 1.00 12.31 C ATOM 0 H ILE A2017 -2.912 -21.640 -7.687 1.00 3.11 H new ATOM 0 HA ILE A2017 -5.400 -21.310 -6.408 1.00 72.23 H new ATOM 0 HB ILE A2017 -2.870 -22.208 -5.782 1.00 61.03 H new ATOM 0 HG12 ILE A2017 -4.167 -22.434 -3.432 1.00 50.42 H new ATOM 0 HG13 ILE A2017 -5.530 -22.020 -4.453 1.00 50.42 H new ATOM 0 HG21 ILE A2017 -2.293 -21.041 -3.698 1.00 74.33 H new ATOM 0 HG22 ILE A2017 -2.153 -19.981 -5.120 1.00 74.33 H new ATOM 0 HG23 ILE A2017 -3.553 -19.830 -4.032 1.00 74.33 H new ATOM 0 HD11 ILE A2017 -5.213 -24.473 -4.368 1.00 12.31 H new ATOM 0 HD12 ILE A2017 -4.937 -23.867 -6.018 1.00 12.31 H new ATOM 0 HD13 ILE A2017 -3.553 -24.287 -4.982 1.00 12.31 H new ATOM 72 N ARG A2018 -5.547 -19.016 -5.401 1.00 72.30 N ATOM 73 CA ARG A2018 -5.824 -17.620 -5.112 1.00 55.21 C ATOM 74 C ARG A2018 -6.995 -17.502 -4.135 1.00 12.22 C ATOM 75 O ARG A2018 -7.999 -18.200 -4.275 1.00 41.23 O ATOM 76 CB ARG A2018 -6.156 -16.848 -6.391 1.00 63.51 C ATOM 77 CG ARG A2018 -6.597 -15.418 -6.069 1.00 4.54 C ATOM 78 CD ARG A2018 -5.653 -14.398 -6.711 1.00 34.32 C ATOM 79 NE ARG A2018 -6.047 -14.156 -8.117 1.00 32.33 N ATOM 80 CZ ARG A2018 -5.335 -13.407 -8.984 1.00 2.13 C ATOM 81 NH1 ARG A2018 -4.183 -12.819 -8.596 1.00 53.21 N ATOM 82 NH2 ARG A2018 -5.781 -13.257 -10.217 1.00 24.34 N ATOM 0 H ARG A2018 -6.152 -19.679 -4.917 1.00 72.30 H new ATOM 0 HA ARG A2018 -4.928 -17.190 -4.664 1.00 55.21 H new ATOM 0 HB2 ARG A2018 -5.283 -16.825 -7.043 1.00 63.51 H new ATOM 0 HB3 ARG A2018 -6.948 -17.363 -6.936 1.00 63.51 H new ATOM 0 HG2 ARG A2018 -7.613 -15.257 -6.429 1.00 4.54 H new ATOM 0 HG3 ARG A2018 -6.615 -15.273 -4.989 1.00 4.54 H new ATOM 0 HD2 ARG A2018 -5.680 -13.463 -6.151 1.00 34.32 H new ATOM 0 HD3 ARG A2018 -4.627 -14.764 -6.670 1.00 34.32 H new ATOM 0 HE ARG A2018 -6.911 -14.582 -8.451 1.00 32.33 H new ATOM 0 HH11 ARG A2018 -3.845 -12.940 -7.641 1.00 53.21 H new ATOM 0 HH12 ARG A2018 -3.651 -12.254 -9.258 1.00 53.21 H new ATOM 0 HH21 ARG A2018 -6.652 -13.704 -10.502 1.00 24.34 H new ATOM 0 HH22 ARG A2018 -5.254 -12.694 -10.885 1.00 24.34 H new ATOM 94 N VAL A2019 -6.828 -16.613 -3.166 1.00 61.13 N ATOM 95 CA VAL A2019 -7.858 -16.395 -2.165 1.00 70.34 C ATOM 96 C VAL A2019 -8.239 -14.913 -2.146 1.00 31.51 C ATOM 97 O VAL A2019 -7.381 -14.052 -1.963 1.00 12.41 O ATOM 98 CB VAL A2019 -7.384 -16.909 -0.804 1.00 34.22 C ATOM 99 CG1 VAL A2019 -5.862 -16.821 -0.685 1.00 53.42 C ATOM 100 CG2 VAL A2019 -8.067 -16.152 0.338 1.00 42.05 C ATOM 0 H VAL A2019 -5.995 -16.036 -3.053 1.00 61.13 H new ATOM 0 HA VAL A2019 -8.757 -16.959 -2.414 1.00 70.34 H new ATOM 0 HB VAL A2019 -7.667 -17.959 -0.726 1.00 34.22 H new ATOM 0 HG11 VAL A2019 -5.551 -17.192 0.292 1.00 53.42 H new ATOM 0 HG12 VAL A2019 -5.400 -17.425 -1.466 1.00 53.42 H new ATOM 0 HG13 VAL A2019 -5.548 -15.783 -0.795 1.00 53.42 H new ATOM 0 HG21 VAL A2019 -7.712 -16.538 1.294 1.00 42.05 H new ATOM 0 HG22 VAL A2019 -7.830 -15.091 0.264 1.00 42.05 H new ATOM 0 HG23 VAL A2019 -9.146 -16.288 0.270 1.00 42.05 H new ATOM 110 N PRO A2020 -9.560 -14.657 -2.340 1.00 3.13 N ATOM 111 CA PRO A2020 -10.065 -13.294 -2.347 1.00 53.33 C ATOM 112 C PRO A2020 -10.129 -12.726 -0.927 1.00 3.35 C ATOM 113 O PRO A2020 -10.150 -11.510 -0.741 1.00 13.11 O ATOM 114 CB PRO A2020 -11.428 -13.382 -3.014 1.00 71.34 C ATOM 115 CG PRO A2020 -11.837 -14.844 -2.934 1.00 3.42 C ATOM 116 CD PRO A2020 -10.605 -15.653 -2.559 1.00 62.14 C ATOM 0 HA PRO A2020 -9.415 -12.607 -2.890 1.00 53.33 H new ATOM 0 HB2 PRO A2020 -12.153 -12.745 -2.507 1.00 71.34 H new ATOM 0 HB3 PRO A2020 -11.378 -13.046 -4.050 1.00 71.34 H new ATOM 0 HG2 PRO A2020 -12.624 -14.980 -2.192 1.00 3.42 H new ATOM 0 HG3 PRO A2020 -12.239 -15.181 -3.890 1.00 3.42 H new ATOM 0 HD2 PRO A2020 -10.780 -16.248 -1.662 1.00 62.14 H new ATOM 0 HD3 PRO A2020 -10.330 -16.347 -3.353 1.00 62.14 H new ATOM 124 N ILE A2021 -10.158 -13.632 0.037 1.00 60.11 N ATOM 125 CA ILE A2021 -10.219 -13.238 1.434 1.00 33.52 C ATOM 126 C ILE A2021 -8.880 -13.552 2.108 1.00 61.04 C ATOM 127 O ILE A2021 -8.636 -14.686 2.512 1.00 33.32 O ATOM 128 CB ILE A2021 -11.420 -13.888 2.123 1.00 74.04 C ATOM 129 CG1 ILE A2021 -11.673 -15.294 1.574 1.00 60.14 C ATOM 130 CG2 ILE A2021 -12.661 -12.999 2.016 1.00 63.13 C ATOM 131 CD1 ILE A2021 -12.529 -15.242 0.308 1.00 65.21 C ATOM 0 H ILE A2021 -10.140 -14.639 -0.121 1.00 60.11 H new ATOM 0 HA ILE A2021 -10.375 -12.163 1.519 1.00 33.52 H new ATOM 0 HB ILE A2021 -11.190 -13.993 3.183 1.00 74.04 H new ATOM 0 HG12 ILE A2021 -10.722 -15.779 1.355 1.00 60.14 H new ATOM 0 HG13 ILE A2021 -12.173 -15.899 2.330 1.00 60.14 H new ATOM 0 HG21 ILE A2021 -13.500 -13.484 2.514 1.00 63.13 H new ATOM 0 HG22 ILE A2021 -12.463 -12.039 2.492 1.00 63.13 H new ATOM 0 HG23 ILE A2021 -12.905 -12.840 0.966 1.00 63.13 H new ATOM 0 HD11 ILE A2021 -12.694 -16.254 -0.062 1.00 65.21 H new ATOM 0 HD12 ILE A2021 -13.489 -14.778 0.536 1.00 65.21 H new ATOM 0 HD13 ILE A2021 -12.016 -14.656 -0.455 1.00 65.21 H new ATOM 143 N LEU A2022 -8.049 -12.524 2.207 1.00 44.02 N ATOM 144 CA LEU A2022 -6.743 -12.675 2.823 1.00 74.03 C ATOM 145 C LEU A2022 -6.044 -11.314 2.866 1.00 33.42 C ATOM 146 O LEU A2022 -6.698 -10.275 2.809 1.00 51.21 O ATOM 147 CB LEU A2022 -5.934 -13.758 2.106 1.00 74.42 C ATOM 148 CG LEU A2022 -5.676 -13.528 0.617 1.00 40.41 C ATOM 149 CD1 LEU A2022 -6.669 -12.516 0.039 1.00 0.12 C ATOM 150 CD2 LEU A2022 -4.224 -13.114 0.368 1.00 62.43 C ATOM 0 H LEU A2022 -8.256 -11.584 1.871 1.00 44.02 H new ATOM 0 HA LEU A2022 -6.845 -13.015 3.854 1.00 74.03 H new ATOM 0 HB2 LEU A2022 -4.972 -13.858 2.610 1.00 74.42 H new ATOM 0 HB3 LEU A2022 -6.455 -14.709 2.221 1.00 74.42 H new ATOM 0 HG LEU A2022 -5.835 -14.471 0.093 1.00 40.41 H new ATOM 0 HD11 LEU A2022 -6.464 -12.370 -1.022 1.00 0.12 H new ATOM 0 HD12 LEU A2022 -7.685 -12.891 0.164 1.00 0.12 H new ATOM 0 HD13 LEU A2022 -6.566 -11.566 0.563 1.00 0.12 H new ATOM 0 HD21 LEU A2022 -4.068 -12.957 -0.699 1.00 62.43 H new ATOM 0 HD22 LEU A2022 -4.012 -12.190 0.905 1.00 62.43 H new ATOM 0 HD23 LEU A2022 -3.556 -13.900 0.720 1.00 62.43 H new ATOM 162 N TRP A2023 -4.724 -11.366 2.969 1.00 41.41 N ATOM 163 CA TRP A2023 -3.930 -10.150 3.021 1.00 73.10 C ATOM 164 C TRP A2023 -4.466 -9.188 1.959 1.00 21.34 C ATOM 165 O TRP A2023 -4.771 -8.034 2.257 1.00 11.03 O ATOM 166 CB TRP A2023 -2.441 -10.459 2.851 1.00 70.45 C ATOM 167 CG TRP A2023 -1.714 -10.760 4.164 1.00 2.50 C ATOM 168 CD1 TRP A2023 -2.250 -11.077 5.350 1.00 3.22 C ATOM 169 CD2 TRP A2023 -0.286 -10.759 4.375 1.00 41.52 C ATOM 170 NE1 TRP A2023 -1.276 -11.279 6.306 1.00 70.50 N ATOM 171 CE2 TRP A2023 -0.043 -11.079 5.695 1.00 73.12 C ATOM 172 CE3 TRP A2023 0.765 -10.496 3.479 1.00 52.20 C ATOM 173 CZ2 TRP A2023 1.243 -11.167 6.239 1.00 13.02 C ATOM 174 CZ3 TRP A2023 2.047 -10.587 4.040 1.00 42.35 C ATOM 175 CH2 TRP A2023 2.308 -10.907 5.365 1.00 70.54 C ATOM 0 H TRP A2023 -4.185 -12.230 3.018 1.00 41.41 H new ATOM 0 HA TRP A2023 -4.019 -9.674 3.998 1.00 73.10 H new ATOM 0 HB2 TRP A2023 -2.332 -11.313 2.183 1.00 70.45 H new ATOM 0 HB3 TRP A2023 -1.957 -9.611 2.366 1.00 70.45 H new ATOM 0 HD1 TRP A2023 -3.311 -11.164 5.535 1.00 3.22 H new ATOM 0 HE1 TRP A2023 -1.432 -11.529 7.282 1.00 70.50 H new ATOM 0 HE3 TRP A2023 0.598 -10.244 2.442 1.00 52.20 H new ATOM 0 HZ2 TRP A2023 1.406 -11.421 7.276 1.00 13.02 H new ATOM 0 HZ3 TRP A2023 2.891 -10.394 3.395 1.00 42.35 H new ATOM 0 HH2 TRP A2023 3.326 -10.955 5.721 1.00 70.54 H new ATOM 186 N HIS A2024 -4.563 -9.700 0.739 1.00 74.42 N ATOM 187 CA HIS A2024 -5.058 -8.899 -0.369 1.00 34.23 C ATOM 188 C HIS A2024 -6.290 -8.110 0.077 1.00 14.13 C ATOM 189 O HIS A2024 -6.473 -6.962 -0.324 1.00 63.41 O ATOM 190 CB HIS A2024 -5.328 -9.778 -1.593 1.00 15.10 C ATOM 191 CG HIS A2024 -4.171 -10.671 -1.976 1.00 72.33 C ATOM 192 ND1 HIS A2024 -4.326 -11.806 -2.751 1.00 21.32 N ATOM 193 CD2 HIS A2024 -2.843 -10.582 -1.682 1.00 21.24 C ATOM 194 CE1 HIS A2024 -3.137 -12.369 -2.909 1.00 61.43 C ATOM 195 NE2 HIS A2024 -2.219 -11.611 -2.246 1.00 40.32 N ATOM 0 H HIS A2024 -4.308 -10.657 0.494 1.00 74.42 H new ATOM 0 HA HIS A2024 -4.298 -8.178 -0.670 1.00 34.23 H new ATOM 0 HB2 HIS A2024 -6.203 -10.398 -1.396 1.00 15.10 H new ATOM 0 HB3 HIS A2024 -5.575 -9.138 -2.440 1.00 15.10 H new ATOM 0 HD2 HIS A2024 -2.377 -9.807 -1.091 1.00 21.24 H new ATOM 0 HE1 HIS A2024 -2.931 -13.271 -3.466 1.00 61.43 H new ATOM 0 HE2 HIS A2024 -1.218 -11.802 -2.192 1.00 40.32 H new ATOM 204 N GLU A2025 -7.100 -8.756 0.902 1.00 41.44 N ATOM 205 CA GLU A2025 -8.310 -8.128 1.406 1.00 1.22 C ATOM 206 C GLU A2025 -7.962 -6.863 2.194 1.00 32.21 C ATOM 207 O GLU A2025 -8.692 -5.874 2.144 1.00 44.22 O ATOM 208 CB GLU A2025 -9.118 -9.103 2.265 1.00 44.20 C ATOM 209 CG GLU A2025 -10.468 -8.499 2.658 1.00 53.31 C ATOM 210 CD GLU A2025 -10.572 -8.337 4.177 1.00 54.24 C ATOM 211 OE1 GLU A2025 -10.329 -7.238 4.702 1.00 42.35 O ATOM 212 OE2 GLU A2025 -10.923 -9.400 4.816 1.00 51.14 O ATOM 0 H GLU A2025 -6.943 -9.707 1.234 1.00 41.44 H new ATOM 0 HA GLU A2025 -8.930 -7.845 0.555 1.00 1.22 H new ATOM 0 HB2 GLU A2025 -9.277 -10.031 1.716 1.00 44.20 H new ATOM 0 HB3 GLU A2025 -8.554 -9.356 3.163 1.00 44.20 H new ATOM 0 HG2 GLU A2025 -10.592 -7.529 2.175 1.00 53.31 H new ATOM 0 HG3 GLU A2025 -11.275 -9.138 2.300 1.00 53.31 H new ATOM 220 N MET A2026 -6.846 -6.935 2.905 1.00 3.45 N ATOM 221 CA MET A2026 -6.391 -5.809 3.702 1.00 21.34 C ATOM 222 C MET A2026 -5.877 -4.678 2.810 1.00 41.53 C ATOM 223 O MET A2026 -5.960 -3.505 3.176 1.00 30.34 O ATOM 224 CB MET A2026 -5.273 -6.266 4.641 1.00 70.51 C ATOM 225 CG MET A2026 -3.899 -6.026 4.016 1.00 53.04 C ATOM 226 SD MET A2026 -3.350 -4.363 4.365 1.00 23.31 S ATOM 227 CE MET A2026 -1.585 -4.582 4.215 1.00 23.24 C ATOM 0 H MET A2026 -6.243 -7.757 2.945 1.00 3.45 H new ATOM 0 HA MET A2026 -7.235 -5.435 4.282 1.00 21.34 H new ATOM 0 HB2 MET A2026 -5.345 -5.728 5.586 1.00 70.51 H new ATOM 0 HB3 MET A2026 -5.394 -7.326 4.867 1.00 70.51 H new ATOM 0 HG2 MET A2026 -3.181 -6.745 4.410 1.00 53.04 H new ATOM 0 HG3 MET A2026 -3.948 -6.183 2.938 1.00 53.04 H new ATOM 0 HE1 MET A2026 -1.100 -3.607 4.173 1.00 23.24 H new ATOM 0 HE2 MET A2026 -1.213 -5.136 5.077 1.00 23.24 H new ATOM 0 HE3 MET A2026 -1.363 -5.137 3.304 1.00 23.24 H new ATOM 237 N TRP A2027 -5.358 -5.066 1.654 1.00 43.42 N ATOM 238 CA TRP A2027 -4.832 -4.099 0.707 1.00 4.24 C ATOM 239 C TRP A2027 -6.013 -3.350 0.087 1.00 45.14 C ATOM 240 O TRP A2027 -6.010 -2.123 0.023 1.00 73.41 O ATOM 241 CB TRP A2027 -3.944 -4.782 -0.336 1.00 0.24 C ATOM 242 CG TRP A2027 -2.672 -5.408 0.242 1.00 71.41 C ATOM 243 CD1 TRP A2027 -2.538 -6.599 0.840 1.00 34.40 C ATOM 244 CD2 TRP A2027 -1.354 -4.822 0.254 1.00 34.23 C ATOM 245 NE1 TRP A2027 -1.235 -6.823 1.234 1.00 11.03 N ATOM 246 CE2 TRP A2027 -0.491 -5.709 0.867 1.00 44.40 C ATOM 247 CE3 TRP A2027 -0.904 -3.583 -0.238 1.00 12.03 C ATOM 248 CZ2 TRP A2027 0.874 -5.452 1.045 1.00 40.42 C ATOM 249 CZ3 TRP A2027 0.462 -3.342 -0.052 1.00 74.44 C ATOM 250 CH2 TRP A2027 1.343 -4.224 0.563 1.00 52.20 C ATOM 0 H TRP A2027 -5.291 -6.038 1.352 1.00 43.42 H new ATOM 0 HA TRP A2027 -4.189 -3.377 1.211 1.00 4.24 H new ATOM 0 HB2 TRP A2027 -4.522 -5.558 -0.838 1.00 0.24 H new ATOM 0 HB3 TRP A2027 -3.664 -4.051 -1.095 1.00 0.24 H new ATOM 0 HD1 TRP A2027 -3.348 -7.296 0.994 1.00 34.40 H new ATOM 0 HE1 TRP A2027 -0.882 -7.655 1.708 1.00 11.03 H new ATOM 0 HE3 TRP A2027 -1.561 -2.874 -0.721 1.00 12.03 H new ATOM 0 HZ2 TRP A2027 1.529 -6.162 1.528 1.00 40.42 H new ATOM 0 HZ3 TRP A2027 0.860 -2.405 -0.412 1.00 74.44 H new ATOM 0 HH2 TRP A2027 2.386 -3.963 0.669 1.00 52.20 H new ATOM 261 N HIS A2028 -6.996 -4.122 -0.354 1.00 5.22 N ATOM 262 CA HIS A2028 -8.182 -3.548 -0.965 1.00 23.35 C ATOM 263 C HIS A2028 -8.919 -2.684 0.058 1.00 52.01 C ATOM 264 O HIS A2028 -9.108 -1.486 -0.157 1.00 31.42 O ATOM 265 CB HIS A2028 -9.068 -4.641 -1.566 1.00 23.42 C ATOM 266 CG HIS A2028 -8.880 -4.838 -3.051 1.00 63.13 C ATOM 267 ND1 HIS A2028 -9.934 -5.076 -3.915 1.00 44.15 N ATOM 268 CD2 HIS A2028 -7.751 -4.827 -3.816 1.00 21.14 C ATOM 269 CE1 HIS A2028 -9.450 -5.203 -5.141 1.00 45.41 C ATOM 270 NE2 HIS A2028 -8.097 -5.048 -5.077 1.00 42.22 N ATOM 0 H HIS A2028 -6.995 -5.141 -0.300 1.00 5.22 H new ATOM 0 HA HIS A2028 -7.891 -2.901 -1.793 1.00 23.35 H new ATOM 0 HB2 HIS A2028 -8.862 -5.582 -1.056 1.00 23.42 H new ATOM 0 HB3 HIS A2028 -10.112 -4.395 -1.372 1.00 23.42 H new ATOM 0 HD1 HIS A2028 -10.917 -5.142 -3.652 1.00 44.15 H new ATOM 0 HD2 HIS A2028 -6.746 -4.666 -3.456 1.00 21.14 H new ATOM 0 HE1 HIS A2028 -10.026 -5.395 -6.034 1.00 45.41 H new ATOM 279 N GLU A2029 -9.317 -3.322 1.148 1.00 53.44 N ATOM 280 CA GLU A2029 -10.030 -2.627 2.206 1.00 31.41 C ATOM 281 C GLU A2029 -9.177 -1.482 2.758 1.00 1.51 C ATOM 282 O GLU A2029 -9.665 -0.365 2.930 1.00 64.51 O ATOM 283 CB GLU A2029 -10.437 -3.592 3.321 1.00 1.40 C ATOM 284 CG GLU A2029 -10.339 -2.920 4.691 1.00 50.23 C ATOM 285 CD GLU A2029 -11.252 -3.610 5.707 1.00 25.23 C ATOM 286 OE1 GLU A2029 -12.317 -3.075 6.046 1.00 43.42 O ATOM 287 OE2 GLU A2029 -10.819 -4.743 6.146 1.00 71.24 O ATOM 0 H GLU A2029 -9.159 -4.315 1.322 1.00 53.44 H new ATOM 0 HA GLU A2029 -10.943 -2.205 1.784 1.00 31.41 H new ATOM 0 HB2 GLU A2029 -11.457 -3.937 3.154 1.00 1.40 H new ATOM 0 HB3 GLU A2029 -9.795 -4.472 3.297 1.00 1.40 H new ATOM 0 HG2 GLU A2029 -9.308 -2.952 5.043 1.00 50.23 H new ATOM 0 HG3 GLU A2029 -10.614 -1.869 4.605 1.00 50.23 H new ATOM 295 N GLY A2030 -7.915 -1.798 3.016 1.00 73.23 N ATOM 296 CA GLY A2030 -6.991 -0.808 3.544 1.00 23.01 C ATOM 297 C GLY A2030 -6.993 0.457 2.684 1.00 15.14 C ATOM 298 O GLY A2030 -7.367 1.530 3.156 1.00 1.40 O ATOM 0 H GLY A2030 -7.512 -2.723 2.869 1.00 73.23 H new ATOM 0 HA2 GLY A2030 -7.268 -0.556 4.568 1.00 23.01 H new ATOM 0 HA3 GLY A2030 -5.985 -1.226 3.579 1.00 23.01 H new ATOM 302 N LEU A2031 -6.569 0.290 1.441 1.00 23.54 N ATOM 303 CA LEU A2031 -6.516 1.407 0.512 1.00 61.43 C ATOM 304 C LEU A2031 -7.912 2.017 0.375 1.00 73.41 C ATOM 305 O LEU A2031 -8.049 3.218 0.139 1.00 24.34 O ATOM 306 CB LEU A2031 -5.906 0.968 -0.820 1.00 73.51 C ATOM 307 CG LEU A2031 -4.878 1.921 -1.435 1.00 14.01 C ATOM 308 CD1 LEU A2031 -3.847 2.358 -0.392 1.00 1.45 C ATOM 309 CD2 LEU A2031 -4.220 1.298 -2.667 1.00 21.22 C ATOM 0 H LEU A2031 -6.259 -0.601 1.055 1.00 23.54 H new ATOM 0 HA LEU A2031 -5.861 2.189 0.895 1.00 61.43 H new ATOM 0 HB2 LEU A2031 -5.432 -0.003 -0.677 1.00 73.51 H new ATOM 0 HB3 LEU A2031 -6.714 0.825 -1.537 1.00 73.51 H new ATOM 0 HG LEU A2031 -5.399 2.818 -1.770 1.00 14.01 H new ATOM 0 HD11 LEU A2031 -3.127 3.035 -0.853 1.00 1.45 H new ATOM 0 HD12 LEU A2031 -4.352 2.869 0.427 1.00 1.45 H new ATOM 0 HD13 LEU A2031 -3.326 1.482 -0.006 1.00 1.45 H new ATOM 0 HD21 LEU A2031 -3.494 1.996 -3.084 1.00 21.22 H new ATOM 0 HD22 LEU A2031 -3.714 0.376 -2.382 1.00 21.22 H new ATOM 0 HD23 LEU A2031 -4.982 1.078 -3.414 1.00 21.22 H new ATOM 321 N GLU A2032 -8.914 1.164 0.533 1.00 72.14 N ATOM 322 CA GLU A2032 -10.296 1.605 0.431 1.00 3.30 C ATOM 323 C GLU A2032 -10.560 2.754 1.405 1.00 14.32 C ATOM 324 O GLU A2032 -11.151 3.767 1.030 1.00 21.21 O ATOM 325 CB GLU A2032 -11.261 0.445 0.678 1.00 50.10 C ATOM 326 CG GLU A2032 -12.261 0.789 1.783 1.00 53.34 C ATOM 327 CD GLU A2032 -13.181 -0.396 2.081 1.00 3.50 C ATOM 328 OE1 GLU A2032 -12.945 -1.138 3.046 1.00 33.31 O ATOM 329 OE2 GLU A2032 -14.173 -0.534 1.268 1.00 51.12 O ATOM 0 H GLU A2032 -8.797 0.170 0.731 1.00 72.14 H new ATOM 0 HA GLU A2032 -10.467 1.967 -0.583 1.00 3.30 H new ATOM 0 HB2 GLU A2032 -11.797 0.211 -0.242 1.00 50.10 H new ATOM 0 HB3 GLU A2032 -10.699 -0.447 0.956 1.00 50.10 H new ATOM 0 HG2 GLU A2032 -11.724 1.073 2.688 1.00 53.34 H new ATOM 0 HG3 GLU A2032 -12.858 1.650 1.483 1.00 53.34 H new ATOM 337 N GLU A2033 -10.106 2.561 2.634 1.00 13.40 N ATOM 338 CA GLU A2033 -10.285 3.571 3.664 1.00 21.14 C ATOM 339 C GLU A2033 -9.352 4.758 3.413 1.00 33.30 C ATOM 340 O GLU A2033 -9.791 5.907 3.409 1.00 51.51 O ATOM 341 CB GLU A2033 -10.058 2.979 5.057 1.00 44.13 C ATOM 342 CG GLU A2033 -11.126 3.463 6.039 1.00 53.34 C ATOM 343 CD GLU A2033 -11.497 2.360 7.032 1.00 42.44 C ATOM 344 OE1 GLU A2033 -11.458 1.171 6.681 1.00 33.13 O ATOM 345 OE2 GLU A2033 -11.837 2.774 8.206 1.00 64.14 O ATOM 0 H GLU A2033 -9.615 1.721 2.940 1.00 13.40 H new ATOM 0 HA GLU A2033 -11.314 3.928 3.620 1.00 21.14 H new ATOM 0 HB2 GLU A2033 -10.077 1.891 5.001 1.00 44.13 H new ATOM 0 HB3 GLU A2033 -9.070 3.262 5.420 1.00 44.13 H new ATOM 0 HG2 GLU A2033 -10.760 4.336 6.579 1.00 53.34 H new ATOM 0 HG3 GLU A2033 -12.014 3.777 5.491 1.00 53.34 H new ATOM 353 N ALA A2034 -8.083 4.438 3.211 1.00 0.31 N ATOM 354 CA ALA A2034 -7.084 5.464 2.960 1.00 74.54 C ATOM 355 C ALA A2034 -7.511 6.300 1.753 1.00 11.31 C ATOM 356 O ALA A2034 -7.501 7.528 1.807 1.00 75.23 O ATOM 357 CB ALA A2034 -5.717 4.808 2.762 1.00 3.34 C ATOM 0 H ALA A2034 -7.723 3.484 3.216 1.00 0.31 H new ATOM 0 HA ALA A2034 -7.001 6.137 3.814 1.00 74.54 H new ATOM 0 HB1 ALA A2034 -4.968 5.577 2.574 1.00 3.34 H new ATOM 0 HB2 ALA A2034 -5.447 4.251 3.659 1.00 3.34 H new ATOM 0 HB3 ALA A2034 -5.760 4.128 1.912 1.00 3.34 H new ATOM 363 N SER A2035 -7.876 5.599 0.687 1.00 13.41 N ATOM 364 CA SER A2035 -8.304 6.263 -0.532 1.00 13.25 C ATOM 365 C SER A2035 -9.494 7.178 -0.240 1.00 44.13 C ATOM 366 O SER A2035 -9.548 8.308 -0.725 1.00 0.24 O ATOM 367 CB SER A2035 -8.670 5.244 -1.613 1.00 41.55 C ATOM 368 OG SER A2035 -9.374 5.844 -2.697 1.00 21.51 O ATOM 0 H SER A2035 -7.884 4.580 0.644 1.00 13.41 H new ATOM 0 HA SER A2035 -7.475 6.865 -0.903 1.00 13.25 H new ATOM 0 HB2 SER A2035 -7.762 4.771 -1.988 1.00 41.55 H new ATOM 0 HB3 SER A2035 -9.282 4.456 -1.175 1.00 41.55 H new ATOM 0 HG SER A2035 -8.832 6.565 -3.080 1.00 21.51 H new ATOM 374 N ARG A2036 -10.421 6.656 0.551 1.00 10.04 N ATOM 375 CA ARG A2036 -11.609 7.411 0.913 1.00 1.44 C ATOM 376 C ARG A2036 -11.215 8.704 1.633 1.00 3.42 C ATOM 377 O ARG A2036 -11.870 9.732 1.471 1.00 62.30 O ATOM 378 CB ARG A2036 -12.528 6.591 1.819 1.00 13.01 C ATOM 379 CG ARG A2036 -13.990 6.999 1.629 1.00 30.22 C ATOM 380 CD ARG A2036 -14.508 7.765 2.846 1.00 15.10 C ATOM 381 NE ARG A2036 -15.296 6.863 3.717 1.00 23.12 N ATOM 382 CZ ARG A2036 -14.804 6.247 4.811 1.00 73.13 C ATOM 383 NH1 ARG A2036 -13.519 6.432 5.182 1.00 70.15 N ATOM 384 NH2 ARG A2036 -15.597 5.462 5.515 1.00 43.10 N ATOM 0 H ARG A2036 -10.373 5.719 0.951 1.00 10.04 H new ATOM 0 HA ARG A2036 -12.144 7.650 -0.006 1.00 1.44 H new ATOM 0 HB2 ARG A2036 -12.411 5.530 1.598 1.00 13.01 H new ATOM 0 HB3 ARG A2036 -12.239 6.733 2.860 1.00 13.01 H new ATOM 0 HG2 ARG A2036 -14.085 7.619 0.737 1.00 30.22 H new ATOM 0 HG3 ARG A2036 -14.601 6.111 1.467 1.00 30.22 H new ATOM 0 HD2 ARG A2036 -13.671 8.184 3.405 1.00 15.10 H new ATOM 0 HD3 ARG A2036 -15.126 8.602 2.522 1.00 15.10 H new ATOM 0 HE ARG A2036 -16.273 6.697 3.474 1.00 23.12 H new ATOM 0 HH11 ARG A2036 -12.912 7.042 4.633 1.00 70.15 H new ATOM 0 HH12 ARG A2036 -13.155 5.962 6.011 1.00 70.15 H new ATOM 0 HH21 ARG A2036 -16.567 5.328 5.229 1.00 43.10 H new ATOM 0 HH22 ARG A2036 -15.240 4.989 6.345 1.00 43.10 H new ATOM 396 N LEU A2037 -10.146 8.610 2.410 1.00 15.24 N ATOM 397 CA LEU A2037 -9.658 9.759 3.154 1.00 40.03 C ATOM 398 C LEU A2037 -9.057 10.774 2.180 1.00 21.12 C ATOM 399 O LEU A2037 -9.169 11.982 2.388 1.00 62.51 O ATOM 400 CB LEU A2037 -8.690 9.313 4.252 1.00 50.32 C ATOM 401 CG LEU A2037 -9.269 8.382 5.319 1.00 20.01 C ATOM 402 CD1 LEU A2037 -8.285 7.259 5.657 1.00 63.22 C ATOM 403 CD2 LEU A2037 -9.691 9.168 6.562 1.00 32.22 C ATOM 0 H LEU A2037 -9.604 7.756 2.541 1.00 15.24 H new ATOM 0 HA LEU A2037 -10.480 10.258 3.668 1.00 40.03 H new ATOM 0 HB2 LEU A2037 -7.844 8.812 3.781 1.00 50.32 H new ATOM 0 HB3 LEU A2037 -8.299 10.202 4.747 1.00 50.32 H new ATOM 0 HG LEU A2037 -10.167 7.914 4.915 1.00 20.01 H new ATOM 0 HD11 LEU A2037 -8.720 6.611 6.418 1.00 63.22 H new ATOM 0 HD12 LEU A2037 -8.076 6.676 4.760 1.00 63.22 H new ATOM 0 HD13 LEU A2037 -7.357 7.689 6.034 1.00 63.22 H new ATOM 0 HD21 LEU A2037 -10.099 8.483 7.305 1.00 32.22 H new ATOM 0 HD22 LEU A2037 -8.825 9.681 6.979 1.00 32.22 H new ATOM 0 HD23 LEU A2037 -10.450 9.901 6.289 1.00 32.22 H new ATOM 415 N TYR A2038 -8.435 10.248 1.136 1.00 32.14 N ATOM 416 CA TYR A2038 -7.816 11.093 0.129 1.00 34.23 C ATOM 417 C TYR A2038 -8.850 11.585 -0.885 1.00 25.33 C ATOM 418 O TYR A2038 -9.001 12.788 -1.092 1.00 42.05 O ATOM 419 CB TYR A2038 -6.792 10.214 -0.590 1.00 42.20 C ATOM 420 CG TYR A2038 -5.969 10.953 -1.647 1.00 45.22 C ATOM 421 CD1 TYR A2038 -5.066 11.925 -1.265 1.00 24.44 C ATOM 422 CD2 TYR A2038 -6.131 10.649 -2.985 1.00 25.54 C ATOM 423 CE1 TYR A2038 -4.293 12.620 -2.261 1.00 20.15 C ATOM 424 CE2 TYR A2038 -5.358 11.345 -3.980 1.00 21.24 C ATOM 425 CZ TYR A2038 -4.477 12.295 -3.569 1.00 13.04 C ATOM 426 OH TYR A2038 -3.746 12.952 -4.509 1.00 14.44 O ATOM 0 H TYR A2038 -8.346 9.246 0.965 1.00 32.14 H new ATOM 0 HA TYR A2038 -7.362 11.970 0.591 1.00 34.23 H new ATOM 0 HB2 TYR A2038 -6.115 9.785 0.148 1.00 42.20 H new ATOM 0 HB3 TYR A2038 -7.313 9.383 -1.066 1.00 42.20 H new ATOM 0 HD1 TYR A2038 -4.940 12.164 -0.219 1.00 24.44 H new ATOM 0 HD2 TYR A2038 -6.838 9.889 -3.284 1.00 25.54 H new ATOM 0 HE1 TYR A2038 -3.583 13.382 -1.976 1.00 20.15 H new ATOM 0 HE2 TYR A2038 -5.475 11.118 -5.029 1.00 21.24 H new ATOM 0 HH TYR A2038 -3.981 12.616 -5.399 1.00 14.44 H new ATOM 436 N PHE A2039 -9.537 10.627 -1.492 1.00 52.01 N ATOM 437 CA PHE A2039 -10.555 10.946 -2.479 1.00 12.31 C ATOM 438 C PHE A2039 -11.806 11.520 -1.813 1.00 41.30 C ATOM 439 O PHE A2039 -12.334 12.542 -2.250 1.00 51.03 O ATOM 440 CB PHE A2039 -10.920 9.639 -3.184 1.00 41.33 C ATOM 441 CG PHE A2039 -9.888 9.177 -4.214 1.00 44.52 C ATOM 442 CD1 PHE A2039 -8.742 8.572 -3.805 1.00 42.41 C ATOM 443 CD2 PHE A2039 -10.117 9.373 -5.541 1.00 31.12 C ATOM 444 CE1 PHE A2039 -7.784 8.142 -4.761 1.00 13.23 C ATOM 445 CE2 PHE A2039 -9.159 8.945 -6.498 1.00 32.13 C ATOM 446 CZ PHE A2039 -8.012 8.338 -6.088 1.00 63.43 C ATOM 0 H PHE A2039 -9.408 9.630 -1.319 1.00 52.01 H new ATOM 0 HA PHE A2039 -10.175 11.692 -3.177 1.00 12.31 H new ATOM 0 HB2 PHE A2039 -11.045 8.857 -2.435 1.00 41.33 H new ATOM 0 HB3 PHE A2039 -11.883 9.763 -3.680 1.00 41.33 H new ATOM 0 HD1 PHE A2039 -8.560 8.418 -2.752 1.00 42.41 H new ATOM 0 HD2 PHE A2039 -11.027 9.854 -5.866 1.00 31.12 H new ATOM 0 HE1 PHE A2039 -6.875 7.659 -4.435 1.00 13.23 H new ATOM 0 HE2 PHE A2039 -9.341 9.101 -7.551 1.00 32.13 H new ATOM 0 HZ PHE A2039 -7.283 8.012 -6.815 1.00 63.43 H new ATOM 456 N GLY A2040 -12.246 10.839 -0.765 1.00 21.35 N ATOM 457 CA GLY A2040 -13.425 11.267 -0.034 1.00 0.52 C ATOM 458 C GLY A2040 -13.169 12.589 0.695 1.00 23.15 C ATOM 459 O GLY A2040 -13.872 13.571 0.467 1.00 14.40 O ATOM 0 H GLY A2040 -11.806 9.992 -0.405 1.00 21.35 H new ATOM 0 HA2 GLY A2040 -14.262 11.384 -0.723 1.00 0.52 H new ATOM 0 HA3 GLY A2040 -13.709 10.500 0.686 1.00 0.52 H new ATOM 463 N GLU A2041 -12.160 12.567 1.552 1.00 35.42 N ATOM 464 CA GLU A2041 -11.802 13.752 2.316 1.00 21.13 C ATOM 465 C GLU A2041 -10.452 14.298 1.846 1.00 74.35 C ATOM 466 O GLU A2041 -9.845 13.753 0.925 1.00 63.13 O ATOM 467 CB GLU A2041 -11.781 13.452 3.816 1.00 30.31 C ATOM 468 CG GLU A2041 -12.950 14.133 4.528 1.00 13.01 C ATOM 469 CD GLU A2041 -12.750 14.123 6.045 1.00 22.01 C ATOM 470 OE1 GLU A2041 -12.020 13.269 6.568 1.00 13.43 O ATOM 471 OE2 GLU A2041 -13.384 15.047 6.685 1.00 23.50 O ATOM 0 H GLU A2041 -11.579 11.749 1.735 1.00 35.42 H new ATOM 0 HA GLU A2041 -12.561 14.515 2.143 1.00 21.13 H new ATOM 0 HB2 GLU A2041 -11.831 12.375 3.976 1.00 30.31 H new ATOM 0 HB3 GLU A2041 -10.840 13.794 4.246 1.00 30.31 H new ATOM 0 HG2 GLU A2041 -13.045 15.161 4.177 1.00 13.01 H new ATOM 0 HG3 GLU A2041 -13.880 13.623 4.277 1.00 13.01 H new ATOM 479 N ARG A2042 -10.024 15.367 2.499 1.00 35.14 N ATOM 480 CA ARG A2042 -8.757 15.993 2.158 1.00 74.12 C ATOM 481 C ARG A2042 -7.739 15.772 3.279 1.00 3.52 C ATOM 482 O ARG A2042 -6.831 16.580 3.465 1.00 33.43 O ATOM 483 CB ARG A2042 -8.930 17.495 1.927 1.00 52.44 C ATOM 484 CG ARG A2042 -9.863 17.764 0.744 1.00 51.20 C ATOM 485 CD ARG A2042 -9.459 16.928 -0.473 1.00 51.41 C ATOM 486 NE ARG A2042 -10.184 17.400 -1.674 1.00 33.12 N ATOM 487 CZ ARG A2042 -9.766 17.194 -2.940 1.00 20.43 C ATOM 488 NH1 ARG A2042 -8.621 16.520 -3.182 1.00 4.44 N ATOM 489 NH2 ARG A2042 -10.492 17.660 -3.939 1.00 12.44 N ATOM 0 H ARG A2042 -10.531 15.816 3.262 1.00 35.14 H new ATOM 0 HA ARG A2042 -8.397 15.534 1.237 1.00 74.12 H new ATOM 0 HB2 ARG A2042 -9.333 17.961 2.826 1.00 52.44 H new ATOM 0 HB3 ARG A2042 -7.958 17.952 1.740 1.00 52.44 H new ATOM 0 HG2 ARG A2042 -10.890 17.531 1.025 1.00 51.20 H new ATOM 0 HG3 ARG A2042 -9.835 18.823 0.488 1.00 51.20 H new ATOM 0 HD2 ARG A2042 -8.384 17.002 -0.635 1.00 51.41 H new ATOM 0 HD3 ARG A2042 -9.683 15.877 -0.293 1.00 51.41 H new ATOM 0 HE ARG A2042 -11.054 17.913 -1.536 1.00 33.12 H new ATOM 0 HH11 ARG A2042 -8.066 16.163 -2.405 1.00 4.44 H new ATOM 0 HH12 ARG A2042 -8.312 16.368 -4.142 1.00 4.44 H new ATOM 0 HH21 ARG A2042 -11.356 18.168 -3.748 1.00 12.44 H new ATOM 0 HH22 ARG A2042 -10.189 17.512 -4.902 1.00 12.44 H new ATOM 501 N ASN A2043 -7.925 14.672 3.995 1.00 22.34 N ATOM 502 CA ASN A2043 -7.033 14.334 5.092 1.00 13.51 C ATOM 503 C ASN A2043 -6.250 13.069 4.735 1.00 2.53 C ATOM 504 O ASN A2043 -6.729 11.956 4.948 1.00 63.23 O ATOM 505 CB ASN A2043 -7.819 14.057 6.375 1.00 21.25 C ATOM 506 CG ASN A2043 -8.009 15.339 7.187 1.00 51.01 C ATOM 507 OD1 ASN A2043 -7.425 16.374 6.911 1.00 30.43 O ATOM 508 ND2 ASN A2043 -8.860 15.214 8.203 1.00 61.22 N ATOM 0 H ASN A2043 -8.679 14.004 3.837 1.00 22.34 H new ATOM 0 HA ASN A2043 -6.363 15.178 5.255 1.00 13.51 H new ATOM 0 HB2 ASN A2043 -8.791 13.632 6.126 1.00 21.25 H new ATOM 0 HB3 ASN A2043 -7.292 13.316 6.976 1.00 21.25 H new ATOM 0 HD21 ASN A2043 -9.056 16.014 8.805 1.00 61.22 H new ATOM 0 HD22 ASN A2043 -9.316 14.319 8.379 1.00 61.22 H new ATOM 515 N VAL A2044 -5.058 13.281 4.197 1.00 14.13 N ATOM 516 CA VAL A2044 -4.202 12.172 3.808 1.00 54.13 C ATOM 517 C VAL A2044 -3.732 11.433 5.064 1.00 13.43 C ATOM 518 O VAL A2044 -3.309 10.280 4.987 1.00 2.32 O ATOM 519 CB VAL A2044 -3.046 12.679 2.945 1.00 40.13 C ATOM 520 CG1 VAL A2044 -1.906 11.660 2.901 1.00 72.10 C ATOM 521 CG2 VAL A2044 -3.528 13.024 1.534 1.00 52.04 C ATOM 0 H VAL A2044 -4.664 14.205 4.021 1.00 14.13 H new ATOM 0 HA VAL A2044 -4.755 11.458 3.197 1.00 54.13 H new ATOM 0 HB VAL A2044 -2.661 13.591 3.401 1.00 40.13 H new ATOM 0 HG11 VAL A2044 -1.097 12.046 2.281 1.00 72.10 H new ATOM 0 HG12 VAL A2044 -1.536 11.484 3.911 1.00 72.10 H new ATOM 0 HG13 VAL A2044 -2.271 10.723 2.480 1.00 72.10 H new ATOM 0 HG21 VAL A2044 -2.687 13.382 0.940 1.00 52.04 H new ATOM 0 HG22 VAL A2044 -3.950 12.135 1.066 1.00 52.04 H new ATOM 0 HG23 VAL A2044 -4.290 13.801 1.590 1.00 52.04 H new ATOM 531 N LYS A2045 -3.821 12.126 6.188 1.00 70.44 N ATOM 532 CA LYS A2045 -3.410 11.551 7.456 1.00 34.53 C ATOM 533 C LYS A2045 -4.076 10.183 7.632 1.00 31.14 C ATOM 534 O LYS A2045 -3.445 9.240 8.106 1.00 44.44 O ATOM 535 CB LYS A2045 -3.692 12.523 8.604 1.00 41.30 C ATOM 536 CG LYS A2045 -5.055 13.196 8.430 1.00 3.32 C ATOM 537 CD LYS A2045 -4.904 14.587 7.809 1.00 21.53 C ATOM 538 CE LYS A2045 -5.185 15.680 8.843 1.00 51.45 C ATOM 539 NZ LYS A2045 -4.560 16.957 8.429 1.00 20.24 N ATOM 0 H LYS A2045 -4.172 13.082 6.247 1.00 70.44 H new ATOM 0 HA LYS A2045 -2.333 11.386 7.466 1.00 34.53 H new ATOM 0 HB2 LYS A2045 -3.665 11.988 9.553 1.00 41.30 H new ATOM 0 HB3 LYS A2045 -2.910 13.282 8.643 1.00 41.30 H new ATOM 0 HG2 LYS A2045 -5.692 12.578 7.797 1.00 3.32 H new ATOM 0 HG3 LYS A2045 -5.551 13.277 9.397 1.00 3.32 H new ATOM 0 HD2 LYS A2045 -3.895 14.706 7.414 1.00 21.53 H new ATOM 0 HD3 LYS A2045 -5.590 14.691 6.968 1.00 21.53 H new ATOM 0 HE2 LYS A2045 -6.261 15.814 8.956 1.00 51.45 H new ATOM 0 HE3 LYS A2045 -4.798 15.377 9.816 1.00 51.45 H new ATOM 0 HZ1 LYS A2045 -4.760 17.688 9.141 1.00 20.24 H new ATOM 0 HZ2 LYS A2045 -3.531 16.829 8.344 1.00 20.24 H new ATOM 0 HZ3 LYS A2045 -4.949 17.252 7.511 1.00 20.24 H new ATOM 552 N GLY A2046 -5.339 10.122 7.241 1.00 1.14 N ATOM 553 CA GLY A2046 -6.097 8.888 7.348 1.00 42.43 C ATOM 554 C GLY A2046 -5.348 7.726 6.691 1.00 31.14 C ATOM 555 O GLY A2046 -5.137 6.687 7.314 1.00 74.51 O ATOM 0 H GLY A2046 -5.857 10.908 6.849 1.00 1.14 H new ATOM 0 HA2 GLY A2046 -6.281 8.660 8.398 1.00 42.43 H new ATOM 0 HA3 GLY A2046 -7.070 9.013 6.874 1.00 42.43 H new ATOM 559 N MET A2047 -4.965 7.941 5.441 1.00 40.21 N ATOM 560 CA MET A2047 -4.245 6.926 4.694 1.00 22.34 C ATOM 561 C MET A2047 -2.965 6.509 5.426 1.00 64.12 C ATOM 562 O MET A2047 -2.739 5.323 5.661 1.00 70.24 O ATOM 563 CB MET A2047 -3.885 7.468 3.309 1.00 3.31 C ATOM 564 CG MET A2047 -2.857 6.571 2.617 1.00 52.31 C ATOM 565 SD MET A2047 -1.207 7.051 3.099 1.00 13.44 S ATOM 566 CE MET A2047 -1.141 8.690 2.394 1.00 41.42 C ATOM 0 H MET A2047 -5.140 8.804 4.927 1.00 40.21 H new ATOM 0 HA MET A2047 -4.888 6.051 4.596 1.00 22.34 H new ATOM 0 HB2 MET A2047 -4.784 7.536 2.697 1.00 3.31 H new ATOM 0 HB3 MET A2047 -3.486 8.478 3.403 1.00 3.31 H new ATOM 0 HG2 MET A2047 -3.034 5.529 2.883 1.00 52.31 H new ATOM 0 HG3 MET A2047 -2.965 6.647 1.535 1.00 52.31 H new ATOM 0 HE1 MET A2047 -0.317 8.747 1.682 1.00 41.42 H new ATOM 0 HE2 MET A2047 -2.079 8.904 1.882 1.00 41.42 H new ATOM 0 HE3 MET A2047 -0.986 9.421 3.187 1.00 41.42 H new ATOM 576 N PHE A2048 -2.164 7.509 5.765 1.00 61.22 N ATOM 577 CA PHE A2048 -0.916 7.261 6.465 1.00 52.22 C ATOM 578 C PHE A2048 -1.142 6.386 7.698 1.00 22.40 C ATOM 579 O PHE A2048 -0.405 5.428 7.928 1.00 43.32 O ATOM 580 CB PHE A2048 -0.378 8.622 6.913 1.00 43.43 C ATOM 581 CG PHE A2048 0.335 9.403 5.809 1.00 42.40 C ATOM 582 CD1 PHE A2048 1.121 8.749 4.911 1.00 53.22 C ATOM 583 CD2 PHE A2048 0.186 10.752 5.724 1.00 40.35 C ATOM 584 CE1 PHE A2048 1.783 9.474 3.886 1.00 13.34 C ATOM 585 CE2 PHE A2048 0.849 11.478 4.699 1.00 50.45 C ATOM 586 CZ PHE A2048 1.633 10.823 3.801 1.00 55.21 C ATOM 0 H PHE A2048 -2.355 8.491 5.568 1.00 61.22 H new ATOM 0 HA PHE A2048 -0.218 6.742 5.808 1.00 52.22 H new ATOM 0 HB2 PHE A2048 -1.206 9.222 7.292 1.00 43.43 H new ATOM 0 HB3 PHE A2048 0.313 8.473 7.743 1.00 43.43 H new ATOM 0 HD1 PHE A2048 1.241 7.678 4.978 1.00 53.22 H new ATOM 0 HD2 PHE A2048 -0.437 11.272 6.437 1.00 40.35 H new ATOM 0 HE1 PHE A2048 2.406 8.954 3.173 1.00 13.34 H new ATOM 0 HE2 PHE A2048 0.731 12.549 4.633 1.00 50.45 H new ATOM 0 HZ PHE A2048 2.136 11.374 3.020 1.00 55.21 H new ATOM 596 N GLU A2049 -2.167 6.743 8.457 1.00 23.30 N ATOM 597 CA GLU A2049 -2.501 5.999 9.661 1.00 31.42 C ATOM 598 C GLU A2049 -3.133 4.654 9.297 1.00 11.10 C ATOM 599 O GLU A2049 -3.243 3.767 10.142 1.00 42.02 O ATOM 600 CB GLU A2049 -3.427 6.812 10.569 1.00 5.41 C ATOM 601 CG GLU A2049 -4.782 7.047 9.899 1.00 43.05 C ATOM 602 CD GLU A2049 -5.818 7.543 10.913 1.00 14.55 C ATOM 603 OE1 GLU A2049 -5.729 8.690 11.377 1.00 64.45 O ATOM 604 OE2 GLU A2049 -6.737 6.690 11.212 1.00 75.13 O ATOM 0 H GLU A2049 -2.777 7.537 8.263 1.00 23.30 H new ATOM 0 HA GLU A2049 -1.581 5.808 10.213 1.00 31.42 H new ATOM 0 HB2 GLU A2049 -3.570 6.286 11.513 1.00 5.41 H new ATOM 0 HB3 GLU A2049 -2.963 7.770 10.805 1.00 5.41 H new ATOM 0 HG2 GLU A2049 -4.673 7.778 9.098 1.00 43.05 H new ATOM 0 HG3 GLU A2049 -5.131 6.121 9.441 1.00 43.05 H new ATOM 612 N VAL A2050 -3.530 4.546 8.039 1.00 4.52 N ATOM 613 CA VAL A2050 -4.147 3.323 7.552 1.00 71.31 C ATOM 614 C VAL A2050 -3.058 2.363 7.069 1.00 63.04 C ATOM 615 O VAL A2050 -3.111 1.166 7.349 1.00 15.20 O ATOM 616 CB VAL A2050 -5.177 3.651 6.470 1.00 42.23 C ATOM 617 CG1 VAL A2050 -5.543 2.404 5.663 1.00 75.31 C ATOM 618 CG2 VAL A2050 -6.425 4.297 7.077 1.00 2.13 C ATOM 0 H VAL A2050 -3.437 5.284 7.341 1.00 4.52 H new ATOM 0 HA VAL A2050 -4.687 2.823 8.356 1.00 71.31 H new ATOM 0 HB VAL A2050 -4.726 4.371 5.787 1.00 42.23 H new ATOM 0 HG11 VAL A2050 -6.277 2.666 4.901 1.00 75.31 H new ATOM 0 HG12 VAL A2050 -4.649 2.005 5.184 1.00 75.31 H new ATOM 0 HG13 VAL A2050 -5.964 1.651 6.329 1.00 75.31 H new ATOM 0 HG21 VAL A2050 -7.141 4.520 6.286 1.00 2.13 H new ATOM 0 HG22 VAL A2050 -6.878 3.611 7.793 1.00 2.13 H new ATOM 0 HG23 VAL A2050 -6.146 5.220 7.585 1.00 2.13 H new ATOM 628 N LEU A2051 -2.097 2.923 6.351 1.00 35.11 N ATOM 629 CA LEU A2051 -0.997 2.133 5.826 1.00 2.14 C ATOM 630 C LEU A2051 0.008 1.856 6.948 1.00 72.41 C ATOM 631 O LEU A2051 0.558 0.760 7.037 1.00 53.10 O ATOM 632 CB LEU A2051 -0.380 2.816 4.605 1.00 44.25 C ATOM 633 CG LEU A2051 -1.329 3.677 3.767 1.00 71.54 C ATOM 634 CD1 LEU A2051 -0.788 3.872 2.350 1.00 4.32 C ATOM 635 CD2 LEU A2051 -2.743 3.091 3.766 1.00 74.11 C ATOM 0 H LEU A2051 -2.057 3.916 6.120 1.00 35.11 H new ATOM 0 HA LEU A2051 -1.358 1.167 5.473 1.00 2.14 H new ATOM 0 HB2 LEU A2051 0.445 3.443 4.942 1.00 44.25 H new ATOM 0 HB3 LEU A2051 0.046 2.048 3.960 1.00 44.25 H new ATOM 0 HG LEU A2051 -1.389 4.664 4.226 1.00 71.54 H new ATOM 0 HD11 LEU A2051 -1.482 4.487 1.777 1.00 4.32 H new ATOM 0 HD12 LEU A2051 0.182 4.366 2.396 1.00 4.32 H new ATOM 0 HD13 LEU A2051 -0.678 2.902 1.866 1.00 4.32 H new ATOM 0 HD21 LEU A2051 -3.398 3.721 3.164 1.00 74.11 H new ATOM 0 HD22 LEU A2051 -2.720 2.086 3.346 1.00 74.11 H new ATOM 0 HD23 LEU A2051 -3.120 3.048 4.788 1.00 74.11 H new ATOM 647 N GLU A2052 0.215 2.870 7.776 1.00 11.52 N ATOM 648 CA GLU A2052 1.143 2.750 8.887 1.00 2.11 C ATOM 649 C GLU A2052 0.974 1.394 9.577 1.00 53.45 C ATOM 650 O GLU A2052 1.936 0.642 9.719 1.00 54.04 O ATOM 651 CB GLU A2052 0.960 3.898 9.881 1.00 52.33 C ATOM 652 CG GLU A2052 2.116 4.896 9.788 1.00 11.21 C ATOM 653 CD GLU A2052 1.628 6.257 9.290 1.00 2.35 C ATOM 654 OE1 GLU A2052 1.781 6.573 8.100 1.00 25.40 O ATOM 655 OE2 GLU A2052 1.074 6.999 10.186 1.00 54.33 O ATOM 0 H GLU A2052 -0.244 3.778 7.699 1.00 11.52 H new ATOM 0 HA GLU A2052 2.158 2.811 8.495 1.00 2.11 H new ATOM 0 HB2 GLU A2052 0.018 4.409 9.682 1.00 52.33 H new ATOM 0 HB3 GLU A2052 0.899 3.500 10.894 1.00 52.33 H new ATOM 0 HG2 GLU A2052 2.583 5.009 10.766 1.00 11.21 H new ATOM 0 HG3 GLU A2052 2.880 4.511 9.113 1.00 11.21 H new ATOM 663 N PRO A2053 -0.291 1.120 9.997 1.00 31.25 N ATOM 664 CA PRO A2053 -0.599 -0.133 10.669 1.00 51.13 C ATOM 665 C PRO A2053 -0.639 -1.293 9.673 1.00 65.44 C ATOM 666 O PRO A2053 -0.029 -2.335 9.905 1.00 13.21 O ATOM 667 CB PRO A2053 -1.934 0.108 11.356 1.00 51.51 C ATOM 668 CG PRO A2053 -2.545 1.318 10.667 1.00 50.34 C ATOM 669 CD PRO A2053 -1.456 1.987 9.845 1.00 14.35 C ATOM 0 HA PRO A2053 0.161 -0.420 11.395 1.00 51.13 H new ATOM 0 HB2 PRO A2053 -2.583 -0.763 11.264 1.00 51.51 H new ATOM 0 HB3 PRO A2053 -1.797 0.293 12.421 1.00 51.51 H new ATOM 0 HG2 PRO A2053 -3.374 1.015 10.027 1.00 50.34 H new ATOM 0 HG3 PRO A2053 -2.948 2.013 11.403 1.00 50.34 H new ATOM 0 HD2 PRO A2053 -1.749 2.077 8.799 1.00 14.35 H new ATOM 0 HD3 PRO A2053 -1.250 2.994 10.206 1.00 14.35 H new ATOM 677 N LEU A2054 -1.366 -1.073 8.587 1.00 24.34 N ATOM 678 CA LEU A2054 -1.494 -2.089 7.556 1.00 11.24 C ATOM 679 C LEU A2054 -0.105 -2.621 7.194 1.00 64.54 C ATOM 680 O LEU A2054 0.138 -3.825 7.259 1.00 34.24 O ATOM 681 CB LEU A2054 -2.273 -1.541 6.358 1.00 33.01 C ATOM 682 CG LEU A2054 -3.790 -1.450 6.530 1.00 5.23 C ATOM 683 CD1 LEU A2054 -4.435 -0.733 5.342 1.00 24.05 C ATOM 684 CD2 LEU A2054 -4.400 -2.833 6.765 1.00 14.34 C ATOM 0 H LEU A2054 -1.872 -0.207 8.399 1.00 24.34 H new ATOM 0 HA LEU A2054 -2.074 -2.935 7.925 1.00 11.24 H new ATOM 0 HB2 LEU A2054 -1.893 -0.546 6.127 1.00 33.01 H new ATOM 0 HB3 LEU A2054 -2.062 -2.171 5.494 1.00 33.01 H new ATOM 0 HG LEU A2054 -3.997 -0.852 7.418 1.00 5.23 H new ATOM 0 HD11 LEU A2054 -5.514 -0.682 5.490 1.00 24.05 H new ATOM 0 HD12 LEU A2054 -4.031 0.276 5.263 1.00 24.05 H new ATOM 0 HD13 LEU A2054 -4.220 -1.282 4.425 1.00 24.05 H new ATOM 0 HD21 LEU A2054 -5.479 -2.739 6.884 1.00 14.34 H new ATOM 0 HD22 LEU A2054 -4.184 -3.476 5.912 1.00 14.34 H new ATOM 0 HD23 LEU A2054 -3.972 -3.271 7.667 1.00 14.34 H new ATOM 696 N HIS A2055 0.768 -1.698 6.821 1.00 12.53 N ATOM 697 CA HIS A2055 2.125 -2.058 6.448 1.00 12.10 C ATOM 698 C HIS A2055 2.821 -2.729 7.635 1.00 5.42 C ATOM 699 O HIS A2055 3.361 -3.826 7.504 1.00 21.14 O ATOM 700 CB HIS A2055 2.888 -0.839 5.926 1.00 5.41 C ATOM 701 CG HIS A2055 2.410 -0.347 4.581 1.00 74.11 C ATOM 702 ND1 HIS A2055 2.404 0.994 4.233 1.00 22.11 N ATOM 703 CD2 HIS A2055 1.923 -1.027 3.504 1.00 62.15 C ATOM 704 CE1 HIS A2055 1.932 1.103 3.000 1.00 75.03 C ATOM 705 NE2 HIS A2055 1.633 -0.150 2.551 1.00 52.41 N ATOM 0 H HIS A2055 0.562 -0.700 6.769 1.00 12.53 H new ATOM 0 HA HIS A2055 2.102 -2.777 5.629 1.00 12.10 H new ATOM 0 HB2 HIS A2055 2.799 -0.029 6.650 1.00 5.41 H new ATOM 0 HB3 HIS A2055 3.947 -1.088 5.855 1.00 5.41 H new ATOM 0 HD2 HIS A2055 1.795 -2.097 3.438 1.00 62.15 H new ATOM 0 HE1 HIS A2055 1.806 2.022 2.447 1.00 75.03 H new ATOM 0 HE2 HIS A2055 1.249 -0.376 1.633 1.00 52.41 H new ATOM 714 N ALA A2056 2.787 -2.041 8.767 1.00 25.44 N ATOM 715 CA ALA A2056 3.407 -2.556 9.976 1.00 25.25 C ATOM 716 C ALA A2056 2.921 -3.987 10.223 1.00 70.13 C ATOM 717 O ALA A2056 3.727 -4.889 10.451 1.00 63.14 O ATOM 718 CB ALA A2056 3.094 -1.625 11.148 1.00 10.11 C ATOM 0 H ALA A2056 2.339 -1.131 8.872 1.00 25.44 H new ATOM 0 HA ALA A2056 4.491 -2.589 9.867 1.00 25.25 H new ATOM 0 HB1 ALA A2056 3.559 -2.012 12.054 1.00 10.11 H new ATOM 0 HB2 ALA A2056 3.484 -0.630 10.936 1.00 10.11 H new ATOM 0 HB3 ALA A2056 2.015 -1.569 11.290 1.00 10.11 H new ATOM 724 N MET A2057 1.607 -4.149 10.169 1.00 32.24 N ATOM 725 CA MET A2057 1.005 -5.454 10.385 1.00 52.01 C ATOM 726 C MET A2057 1.658 -6.513 9.496 1.00 34.03 C ATOM 727 O MET A2057 1.864 -7.648 9.924 1.00 20.21 O ATOM 728 CB MET A2057 -0.493 -5.383 10.078 1.00 14.21 C ATOM 729 CG MET A2057 -0.877 -6.387 8.990 1.00 44.04 C ATOM 730 SD MET A2057 -2.645 -6.370 8.743 1.00 35.50 S ATOM 731 CE MET A2057 -2.727 -6.934 7.051 1.00 2.42 C ATOM 0 H MET A2057 0.943 -3.399 9.979 1.00 32.24 H new ATOM 0 HA MET A2057 1.159 -5.736 11.427 1.00 52.01 H new ATOM 0 HB2 MET A2057 -1.064 -5.587 10.984 1.00 14.21 H new ATOM 0 HB3 MET A2057 -0.755 -4.375 9.757 1.00 14.21 H new ATOM 0 HG2 MET A2057 -0.369 -6.139 8.058 1.00 44.04 H new ATOM 0 HG3 MET A2057 -0.551 -7.387 9.275 1.00 44.04 H new ATOM 0 HE1 MET A2057 -3.768 -7.101 6.773 1.00 2.42 H new ATOM 0 HE2 MET A2057 -2.293 -6.180 6.395 1.00 2.42 H new ATOM 0 HE3 MET A2057 -2.171 -7.866 6.951 1.00 2.42 H new ATOM 741 N MET A2058 1.968 -6.104 8.274 1.00 14.20 N ATOM 742 CA MET A2058 2.594 -7.005 7.320 1.00 51.42 C ATOM 743 C MET A2058 4.037 -7.316 7.725 1.00 73.32 C ATOM 744 O MET A2058 4.548 -8.396 7.434 1.00 75.43 O ATOM 745 CB MET A2058 2.581 -6.365 5.931 1.00 41.44 C ATOM 746 CG MET A2058 1.149 -6.180 5.426 1.00 71.11 C ATOM 747 SD MET A2058 0.921 -7.072 3.896 1.00 73.25 S ATOM 748 CE MET A2058 -0.788 -7.555 4.071 1.00 43.10 C ATOM 0 H MET A2058 1.798 -5.162 7.923 1.00 14.20 H new ATOM 0 HA MET A2058 2.031 -7.938 7.306 1.00 51.42 H new ATOM 0 HB2 MET A2058 3.085 -5.399 5.967 1.00 41.44 H new ATOM 0 HB3 MET A2058 3.139 -6.990 5.233 1.00 41.44 H new ATOM 0 HG2 MET A2058 0.442 -6.538 6.174 1.00 71.11 H new ATOM 0 HG3 MET A2058 0.942 -5.121 5.273 1.00 71.11 H new ATOM 0 HE1 MET A2058 -0.981 -8.438 3.462 1.00 43.10 H new ATOM 0 HE2 MET A2058 -0.997 -7.782 5.116 1.00 43.10 H new ATOM 0 HE3 MET A2058 -1.432 -6.740 3.741 1.00 43.10 H new ATOM 758 N GLU A2059 4.653 -6.349 8.390 1.00 42.40 N ATOM 759 CA GLU A2059 6.026 -6.507 8.838 1.00 52.13 C ATOM 760 C GLU A2059 6.077 -7.385 10.091 1.00 15.02 C ATOM 761 O GLU A2059 6.653 -8.471 10.069 1.00 41.41 O ATOM 762 CB GLU A2059 6.678 -5.147 9.093 1.00 23.43 C ATOM 763 CG GLU A2059 6.274 -4.134 8.020 1.00 54.51 C ATOM 764 CD GLU A2059 6.107 -4.815 6.659 1.00 31.12 C ATOM 765 OE1 GLU A2059 6.916 -5.681 6.297 1.00 30.14 O ATOM 766 OE2 GLU A2059 5.092 -4.413 5.970 1.00 22.43 O ATOM 0 H GLU A2059 4.226 -5.454 8.629 1.00 42.40 H new ATOM 0 HA GLU A2059 6.592 -7.002 8.049 1.00 52.13 H new ATOM 0 HB2 GLU A2059 6.384 -4.778 10.076 1.00 23.43 H new ATOM 0 HB3 GLU A2059 7.762 -5.256 9.105 1.00 23.43 H new ATOM 0 HG2 GLU A2059 5.340 -3.649 8.305 1.00 54.51 H new ATOM 0 HG3 GLU A2059 7.030 -3.352 7.949 1.00 54.51 H new ATOM 774 N ARG A2060 5.470 -6.880 11.153 1.00 52.22 N ATOM 775 CA ARG A2060 5.439 -7.603 12.413 1.00 11.54 C ATOM 776 C ARG A2060 4.483 -8.792 12.318 1.00 4.12 C ATOM 777 O ARG A2060 4.595 -9.747 13.088 1.00 53.30 O ATOM 778 CB ARG A2060 4.999 -6.693 13.561 1.00 12.21 C ATOM 779 CG ARG A2060 3.554 -6.227 13.368 1.00 52.03 C ATOM 780 CD ARG A2060 3.170 -5.179 14.413 1.00 21.14 C ATOM 781 NE ARG A2060 2.146 -5.728 15.328 1.00 71.30 N ATOM 782 CZ ARG A2060 1.330 -4.972 16.093 1.00 52.14 C ATOM 783 NH1 ARG A2060 1.412 -3.625 16.058 1.00 24.13 N ATOM 784 NH2 ARG A2060 0.451 -5.569 16.876 1.00 53.30 N ATOM 0 H ARG A2060 4.995 -5.978 11.168 1.00 52.22 H new ATOM 0 HA ARG A2060 6.449 -7.959 12.615 1.00 11.54 H new ATOM 0 HB2 ARG A2060 5.090 -7.226 14.508 1.00 12.21 H new ATOM 0 HB3 ARG A2060 5.659 -5.828 13.618 1.00 12.21 H new ATOM 0 HG2 ARG A2060 3.434 -5.810 12.368 1.00 52.03 H new ATOM 0 HG3 ARG A2060 2.880 -7.081 13.440 1.00 52.03 H new ATOM 0 HD2 ARG A2060 4.052 -4.878 14.979 1.00 21.14 H new ATOM 0 HD3 ARG A2060 2.787 -4.285 13.920 1.00 21.14 H new ATOM 0 HE ARG A2060 2.050 -6.742 15.385 1.00 71.30 H new ATOM 0 HH11 ARG A2060 2.094 -3.171 15.450 1.00 24.13 H new ATOM 0 HH12 ARG A2060 0.792 -3.061 16.639 1.00 24.13 H new ATOM 0 HH21 ARG A2060 0.395 -6.587 16.897 1.00 53.30 H new ATOM 0 HH22 ARG A2060 -0.173 -5.012 17.460 1.00 53.30 H new ATOM 796 N GLY A2061 3.566 -8.700 11.368 1.00 45.33 N ATOM 797 CA GLY A2061 2.590 -9.757 11.162 1.00 14.22 C ATOM 798 C GLY A2061 2.769 -10.408 9.790 1.00 44.31 C ATOM 799 O GLY A2061 2.084 -10.047 8.834 1.00 50.14 O ATOM 0 H GLY A2061 3.477 -7.909 10.731 1.00 45.33 H new ATOM 0 HA2 GLY A2061 2.695 -10.511 11.943 1.00 14.22 H new ATOM 0 HA3 GLY A2061 1.583 -9.349 11.246 1.00 14.22 H new ATOM 803 N PRO A2062 3.716 -11.381 9.734 1.00 64.40 N ATOM 804 CA PRO A2062 3.992 -12.088 8.493 1.00 14.13 C ATOM 805 C PRO A2062 2.887 -13.097 8.179 1.00 4.52 C ATOM 806 O PRO A2062 1.787 -13.010 8.726 1.00 5.45 O ATOM 807 CB PRO A2062 5.350 -12.738 8.706 1.00 71.44 C ATOM 808 CG PRO A2062 5.568 -12.764 10.210 1.00 14.15 C ATOM 809 CD PRO A2062 4.546 -11.836 10.846 1.00 70.52 C ATOM 0 HA PRO A2062 4.013 -11.427 7.627 1.00 14.13 H new ATOM 0 HB2 PRO A2062 5.370 -13.746 8.291 1.00 71.44 H new ATOM 0 HB3 PRO A2062 6.137 -12.172 8.207 1.00 71.44 H new ATOM 0 HG2 PRO A2062 5.454 -13.778 10.595 1.00 14.15 H new ATOM 0 HG3 PRO A2062 6.580 -12.442 10.454 1.00 14.15 H new ATOM 0 HD2 PRO A2062 3.952 -12.357 11.597 1.00 70.52 H new ATOM 0 HD3 PRO A2062 5.030 -10.998 11.348 1.00 70.52 H new ATOM 817 N GLN A2063 3.216 -14.030 7.297 1.00 44.33 N ATOM 818 CA GLN A2063 2.264 -15.055 6.902 1.00 51.33 C ATOM 819 C GLN A2063 2.986 -16.380 6.654 1.00 1.12 C ATOM 820 O GLN A2063 2.859 -17.318 7.440 1.00 73.04 O ATOM 821 CB GLN A2063 1.472 -14.620 5.666 1.00 52.13 C ATOM 822 CG GLN A2063 0.288 -15.556 5.419 1.00 5.04 C ATOM 823 CD GLN A2063 -0.960 -15.067 6.155 1.00 73.44 C ATOM 824 OE1 GLN A2063 -1.057 -13.926 6.577 1.00 65.44 O ATOM 825 NE2 GLN A2063 -1.908 -15.991 6.286 1.00 4.11 N ATOM 0 H GLN A2063 4.128 -14.098 6.845 1.00 44.33 H new ATOM 0 HA GLN A2063 1.553 -15.198 7.716 1.00 51.33 H new ATOM 0 HB2 GLN A2063 1.112 -13.600 5.800 1.00 52.13 H new ATOM 0 HB3 GLN A2063 2.125 -14.616 4.794 1.00 52.13 H new ATOM 0 HG2 GLN A2063 0.084 -15.616 4.350 1.00 5.04 H new ATOM 0 HG3 GLN A2063 0.540 -16.563 5.752 1.00 5.04 H new ATOM 0 HE21 GLN A2063 -1.763 -16.928 5.909 1.00 4.11 H new ATOM 0 HE22 GLN A2063 -2.780 -15.763 6.763 1.00 4.11 H new ATOM 834 N THR A2064 3.727 -16.418 5.555 1.00 53.15 N ATOM 835 CA THR A2064 4.468 -17.613 5.193 1.00 61.22 C ATOM 836 C THR A2064 5.557 -17.277 4.172 1.00 52.12 C ATOM 837 O THR A2064 5.653 -16.140 3.715 1.00 72.12 O ATOM 838 CB THR A2064 3.467 -18.657 4.695 1.00 43.04 C ATOM 839 OG1 THR A2064 4.282 -19.753 4.287 1.00 43.32 O ATOM 840 CG2 THR A2064 2.760 -18.222 3.408 1.00 33.33 C ATOM 0 H THR A2064 3.829 -15.639 4.904 1.00 53.15 H new ATOM 0 HA THR A2064 4.992 -18.030 6.053 1.00 61.22 H new ATOM 0 HB THR A2064 2.726 -18.849 5.471 1.00 43.04 H new ATOM 0 HG1 THR A2064 3.713 -20.477 3.951 1.00 43.32 H new ATOM 0 HG21 THR A2064 2.061 -18.998 3.097 1.00 33.33 H new ATOM 0 HG22 THR A2064 2.217 -17.294 3.587 1.00 33.33 H new ATOM 0 HG23 THR A2064 3.499 -18.064 2.623 1.00 33.33 H new ATOM 848 N LEU A2065 6.347 -18.288 3.843 1.00 12.21 N ATOM 849 CA LEU A2065 7.425 -18.114 2.885 1.00 43.10 C ATOM 850 C LEU A2065 6.856 -17.548 1.581 1.00 34.21 C ATOM 851 O LEU A2065 7.472 -16.689 0.953 1.00 2.20 O ATOM 852 CB LEU A2065 8.196 -19.422 2.701 1.00 62.13 C ATOM 853 CG LEU A2065 9.649 -19.418 3.179 1.00 24.15 C ATOM 854 CD1 LEU A2065 10.537 -18.614 2.228 1.00 72.04 C ATOM 855 CD2 LEU A2065 9.750 -18.916 4.620 1.00 12.52 C ATOM 0 H LEU A2065 6.262 -19.231 4.223 1.00 12.21 H new ATOM 0 HA LEU A2065 8.152 -17.392 3.258 1.00 43.10 H new ATOM 0 HB2 LEU A2065 7.663 -20.212 3.230 1.00 62.13 H new ATOM 0 HB3 LEU A2065 8.183 -19.682 1.643 1.00 62.13 H new ATOM 0 HG LEU A2065 10.015 -20.445 3.169 1.00 24.15 H new ATOM 0 HD11 LEU A2065 11.565 -18.627 2.591 1.00 72.04 H new ATOM 0 HD12 LEU A2065 10.498 -19.056 1.233 1.00 72.04 H new ATOM 0 HD13 LEU A2065 10.182 -17.585 2.182 1.00 72.04 H new ATOM 0 HD21 LEU A2065 10.793 -18.923 4.935 1.00 12.52 H new ATOM 0 HD22 LEU A2065 9.360 -17.900 4.680 1.00 12.52 H new ATOM 0 HD23 LEU A2065 9.169 -19.567 5.274 1.00 12.52 H new ATOM 867 N LYS A2066 5.687 -18.052 1.216 1.00 42.55 N ATOM 868 CA LYS A2066 5.029 -17.607 -0.001 1.00 63.52 C ATOM 869 C LYS A2066 4.756 -16.104 0.093 1.00 22.33 C ATOM 870 O LYS A2066 5.202 -15.335 -0.758 1.00 33.01 O ATOM 871 CB LYS A2066 3.776 -18.445 -0.268 1.00 54.45 C ATOM 872 CG LYS A2066 4.141 -19.799 -0.876 1.00 50.13 C ATOM 873 CD LYS A2066 4.119 -20.900 0.187 1.00 54.10 C ATOM 874 CE LYS A2066 4.071 -22.286 -0.458 1.00 51.42 C ATOM 875 NZ LYS A2066 3.113 -23.159 0.258 1.00 64.04 N ATOM 0 H LYS A2066 5.178 -18.764 1.741 1.00 42.55 H new ATOM 0 HA LYS A2066 5.677 -17.760 -0.864 1.00 63.52 H new ATOM 0 HB2 LYS A2066 3.230 -18.596 0.663 1.00 54.45 H new ATOM 0 HB3 LYS A2066 3.111 -17.906 -0.943 1.00 54.45 H new ATOM 0 HG2 LYS A2066 3.440 -20.044 -1.674 1.00 50.13 H new ATOM 0 HG3 LYS A2066 5.132 -19.744 -1.328 1.00 50.13 H new ATOM 0 HD2 LYS A2066 5.005 -20.819 0.817 1.00 54.10 H new ATOM 0 HD3 LYS A2066 3.253 -20.767 0.835 1.00 54.10 H new ATOM 0 HE2 LYS A2066 3.779 -22.197 -1.504 1.00 51.42 H new ATOM 0 HE3 LYS A2066 5.064 -22.736 -0.442 1.00 51.42 H new ATOM 0 HZ1 LYS A2066 3.093 -24.096 -0.193 1.00 64.04 H new ATOM 0 HZ2 LYS A2066 3.409 -23.259 1.250 1.00 64.04 H new ATOM 0 HZ3 LYS A2066 2.163 -22.736 0.221 1.00 64.04 H new ATOM 888 N GLU A2067 4.026 -15.731 1.132 1.00 1.51 N ATOM 889 CA GLU A2067 3.689 -14.335 1.347 1.00 55.13 C ATOM 890 C GLU A2067 4.957 -13.515 1.596 1.00 33.21 C ATOM 891 O GLU A2067 5.022 -12.339 1.238 1.00 74.42 O ATOM 892 CB GLU A2067 2.701 -14.181 2.506 1.00 42.45 C ATOM 893 CG GLU A2067 1.518 -13.299 2.103 1.00 3.40 C ATOM 894 CD GLU A2067 0.659 -13.986 1.039 1.00 61.33 C ATOM 895 OE1 GLU A2067 0.510 -15.217 1.063 1.00 52.13 O ATOM 896 OE2 GLU A2067 0.135 -13.194 0.166 1.00 2.44 O ATOM 0 H GLU A2067 3.658 -16.372 1.835 1.00 1.51 H new ATOM 0 HA GLU A2067 3.205 -13.956 0.447 1.00 55.13 H new ATOM 0 HB2 GLU A2067 2.340 -15.162 2.814 1.00 42.45 H new ATOM 0 HB3 GLU A2067 3.209 -13.744 3.366 1.00 42.45 H new ATOM 0 HG2 GLU A2067 0.909 -13.078 2.980 1.00 3.40 H new ATOM 0 HG3 GLU A2067 1.884 -12.346 1.721 1.00 3.40 H new ATOM 904 N THR A2068 5.935 -14.166 2.209 1.00 74.43 N ATOM 905 CA THR A2068 7.196 -13.513 2.511 1.00 2.12 C ATOM 906 C THR A2068 7.804 -12.914 1.240 1.00 32.51 C ATOM 907 O THR A2068 8.470 -11.882 1.292 1.00 63.44 O ATOM 908 CB THR A2068 8.107 -14.535 3.195 1.00 60.21 C ATOM 909 OG1 THR A2068 7.481 -14.770 4.453 1.00 72.54 O ATOM 910 CG2 THR A2068 9.473 -13.951 3.562 1.00 64.24 C ATOM 0 H THR A2068 5.879 -15.141 2.505 1.00 74.43 H new ATOM 0 HA THR A2068 7.053 -12.675 3.193 1.00 2.12 H new ATOM 0 HB THR A2068 8.245 -15.394 2.538 1.00 60.21 H new ATOM 0 HG1 THR A2068 6.595 -15.164 4.309 1.00 72.54 H new ATOM 0 HG21 THR A2068 10.079 -14.718 4.044 1.00 64.24 H new ATOM 0 HG22 THR A2068 9.976 -13.606 2.659 1.00 64.24 H new ATOM 0 HG23 THR A2068 9.339 -13.112 4.245 1.00 64.24 H new ATOM 918 N SER A2069 7.551 -13.590 0.128 1.00 2.45 N ATOM 919 CA SER A2069 8.066 -13.137 -1.155 1.00 23.32 C ATOM 920 C SER A2069 7.272 -11.922 -1.637 1.00 42.04 C ATOM 921 O SER A2069 7.849 -10.958 -2.140 1.00 24.44 O ATOM 922 CB SER A2069 8.008 -14.255 -2.197 1.00 25.45 C ATOM 923 OG SER A2069 9.306 -14.727 -2.546 1.00 44.22 O ATOM 0 H SER A2069 6.998 -14.446 0.088 1.00 2.45 H new ATOM 0 HA SER A2069 9.110 -12.853 -1.024 1.00 23.32 H new ATOM 0 HB2 SER A2069 7.414 -15.082 -1.809 1.00 25.45 H new ATOM 0 HB3 SER A2069 7.502 -13.891 -3.091 1.00 25.45 H new ATOM 0 HG SER A2069 9.226 -15.441 -3.212 1.00 44.22 H new ATOM 929 N PHE A2070 5.960 -12.005 -1.465 1.00 33.31 N ATOM 930 CA PHE A2070 5.080 -10.924 -1.877 1.00 12.02 C ATOM 931 C PHE A2070 5.382 -9.644 -1.094 1.00 23.21 C ATOM 932 O PHE A2070 5.604 -8.589 -1.684 1.00 22.32 O ATOM 933 CB PHE A2070 3.650 -11.370 -1.571 1.00 20.34 C ATOM 934 CG PHE A2070 2.619 -10.241 -1.633 1.00 41.34 C ATOM 935 CD1 PHE A2070 2.225 -9.745 -2.837 1.00 11.43 C ATOM 936 CD2 PHE A2070 2.098 -9.732 -0.485 1.00 22.31 C ATOM 937 CE1 PHE A2070 1.269 -8.697 -2.895 1.00 22.10 C ATOM 938 CE2 PHE A2070 1.140 -8.685 -0.542 1.00 3.43 C ATOM 939 CZ PHE A2070 0.747 -8.190 -1.746 1.00 40.50 C ATOM 0 H PHE A2070 5.485 -12.805 -1.046 1.00 33.31 H new ATOM 0 HA PHE A2070 5.221 -10.712 -2.937 1.00 12.02 H new ATOM 0 HB2 PHE A2070 3.364 -12.149 -2.278 1.00 20.34 H new ATOM 0 HB3 PHE A2070 3.625 -11.817 -0.577 1.00 20.34 H new ATOM 0 HD1 PHE A2070 2.640 -10.149 -3.749 1.00 11.43 H new ATOM 0 HD2 PHE A2070 2.413 -10.124 0.471 1.00 22.31 H new ATOM 0 HE1 PHE A2070 0.957 -8.303 -3.851 1.00 22.10 H new ATOM 0 HE2 PHE A2070 0.724 -8.282 0.370 1.00 3.43 H new ATOM 0 HZ PHE A2070 0.019 -7.393 -1.790 1.00 40.50 H new ATOM 949 N ASN A2071 5.380 -9.781 0.225 1.00 44.52 N ATOM 950 CA ASN A2071 5.649 -8.650 1.095 1.00 34.01 C ATOM 951 C ASN A2071 7.052 -8.113 0.806 1.00 72.12 C ATOM 952 O ASN A2071 7.310 -6.921 0.970 1.00 34.14 O ATOM 953 CB ASN A2071 5.595 -9.063 2.567 1.00 40.22 C ATOM 954 CG ASN A2071 5.236 -7.871 3.459 1.00 64.12 C ATOM 955 OD1 ASN A2071 4.251 -7.183 3.249 1.00 60.02 O ATOM 956 ND2 ASN A2071 6.087 -7.670 4.459 1.00 13.21 N ATOM 0 H ASN A2071 5.196 -10.659 0.711 1.00 44.52 H new ATOM 0 HA ASN A2071 4.891 -7.890 0.905 1.00 34.01 H new ATOM 0 HB2 ASN A2071 4.858 -9.855 2.699 1.00 40.22 H new ATOM 0 HB3 ASN A2071 6.560 -9.471 2.870 1.00 40.22 H new ATOM 0 HD21 ASN A2071 5.936 -6.900 5.110 1.00 13.21 H new ATOM 0 HD22 ASN A2071 6.892 -8.286 4.575 1.00 13.21 H new ATOM 963 N GLN A2072 7.922 -9.018 0.381 1.00 34.44 N ATOM 964 CA GLN A2072 9.292 -8.650 0.067 1.00 72.23 C ATOM 965 C GLN A2072 9.357 -7.956 -1.296 1.00 70.05 C ATOM 966 O GLN A2072 9.884 -6.850 -1.409 1.00 44.34 O ATOM 967 CB GLN A2072 10.210 -9.872 0.104 1.00 31.34 C ATOM 968 CG GLN A2072 10.824 -10.054 1.494 1.00 43.14 C ATOM 969 CD GLN A2072 12.038 -9.141 1.680 1.00 1.05 C ATOM 970 OE1 GLN A2072 13.166 -9.494 1.375 1.00 41.23 O ATOM 971 NE2 GLN A2072 11.746 -7.952 2.199 1.00 63.42 N ATOM 0 H GLN A2072 7.704 -10.005 0.247 1.00 34.44 H new ATOM 0 HA GLN A2072 9.642 -7.950 0.826 1.00 72.23 H new ATOM 0 HB2 GLN A2072 9.645 -10.764 -0.168 1.00 31.34 H new ATOM 0 HB3 GLN A2072 11.003 -9.759 -0.636 1.00 31.34 H new ATOM 0 HG2 GLN A2072 10.078 -9.833 2.257 1.00 43.14 H new ATOM 0 HG3 GLN A2072 11.122 -11.094 1.631 1.00 43.14 H new ATOM 0 HE21 GLN A2072 10.780 -7.720 2.432 1.00 63.42 H new ATOM 0 HE22 GLN A2072 12.488 -7.272 2.364 1.00 63.42 H new ATOM 980 N ALA A2073 8.812 -8.634 -2.295 1.00 61.21 N ATOM 981 CA ALA A2073 8.802 -8.097 -3.645 1.00 73.53 C ATOM 982 C ALA A2073 8.206 -6.688 -3.625 1.00 32.33 C ATOM 983 O ALA A2073 8.603 -5.830 -4.413 1.00 62.21 O ATOM 984 CB ALA A2073 8.027 -9.043 -4.564 1.00 52.21 C ATOM 0 H ALA A2073 8.374 -9.550 -2.197 1.00 61.21 H new ATOM 0 HA ALA A2073 9.817 -8.020 -4.035 1.00 73.53 H new ATOM 0 HB1 ALA A2073 8.019 -8.641 -5.577 1.00 52.21 H new ATOM 0 HB2 ALA A2073 8.506 -10.022 -4.566 1.00 52.21 H new ATOM 0 HB3 ALA A2073 7.003 -9.141 -4.205 1.00 52.21 H new ATOM 990 N TYR A2074 7.264 -6.492 -2.715 1.00 61.41 N ATOM 991 CA TYR A2074 6.610 -5.200 -2.579 1.00 43.30 C ATOM 992 C TYR A2074 7.342 -4.316 -1.570 1.00 31.24 C ATOM 993 O TYR A2074 7.345 -3.094 -1.696 1.00 62.13 O ATOM 994 CB TYR A2074 5.202 -5.494 -2.059 1.00 31.21 C ATOM 995 CG TYR A2074 4.234 -5.999 -3.128 1.00 4.11 C ATOM 996 CD1 TYR A2074 4.677 -6.864 -4.107 1.00 62.22 C ATOM 997 CD2 TYR A2074 2.915 -5.588 -3.115 1.00 22.02 C ATOM 998 CE1 TYR A2074 3.764 -7.340 -5.114 1.00 40.50 C ATOM 999 CE2 TYR A2074 2.002 -6.064 -4.124 1.00 30.34 C ATOM 1000 CZ TYR A2074 2.473 -6.917 -5.073 1.00 53.42 C ATOM 1001 OH TYR A2074 1.611 -7.365 -6.025 1.00 72.34 O ATOM 0 H TYR A2074 6.937 -7.206 -2.064 1.00 61.41 H new ATOM 0 HA TYR A2074 6.602 -4.672 -3.533 1.00 43.30 H new ATOM 0 HB2 TYR A2074 5.268 -6.237 -1.264 1.00 31.21 H new ATOM 0 HB3 TYR A2074 4.794 -4.586 -1.614 1.00 31.21 H new ATOM 0 HD1 TYR A2074 5.708 -7.184 -4.118 1.00 62.22 H new ATOM 0 HD2 TYR A2074 2.568 -4.910 -2.349 1.00 22.02 H new ATOM 0 HE1 TYR A2074 4.098 -8.018 -5.885 1.00 40.50 H new ATOM 0 HE2 TYR A2074 0.968 -5.751 -4.126 1.00 30.34 H new ATOM 0 HH TYR A2074 1.432 -8.318 -5.882 1.00 72.34 H new ATOM 1011 N GLY A2075 7.947 -4.971 -0.589 1.00 23.14 N ATOM 1012 CA GLY A2075 8.681 -4.260 0.444 1.00 33.10 C ATOM 1013 C GLY A2075 9.519 -3.130 -0.159 1.00 73.41 C ATOM 1014 O GLY A2075 9.789 -2.132 0.506 1.00 30.00 O ATOM 0 H GLY A2075 7.944 -5.986 -0.488 1.00 23.14 H new ATOM 0 HA2 GLY A2075 7.983 -3.850 1.175 1.00 33.10 H new ATOM 0 HA3 GLY A2075 9.330 -4.954 0.977 1.00 33.10 H new ATOM 1018 N ARG A2076 9.905 -3.326 -1.411 1.00 63.44 N ATOM 1019 CA ARG A2076 10.706 -2.336 -2.110 1.00 4.45 C ATOM 1020 C ARG A2076 9.858 -1.107 -2.444 1.00 62.41 C ATOM 1021 O ARG A2076 10.302 0.026 -2.261 1.00 64.44 O ATOM 1022 CB ARG A2076 11.288 -2.912 -3.404 1.00 65.31 C ATOM 1023 CG ARG A2076 12.798 -2.676 -3.477 1.00 22.13 C ATOM 1024 CD ARG A2076 13.148 -1.721 -4.619 1.00 41.41 C ATOM 1025 NE ARG A2076 14.378 -2.179 -5.304 1.00 34.21 N ATOM 1026 CZ ARG A2076 15.195 -1.372 -6.012 1.00 3.15 C ATOM 1027 NH1 ARG A2076 14.921 -0.056 -6.136 1.00 73.22 N ATOM 1028 NH2 ARG A2076 16.268 -1.890 -6.583 1.00 75.15 N ATOM 0 H ARG A2076 9.678 -4.156 -1.959 1.00 63.44 H new ATOM 0 HA ARG A2076 11.526 -2.048 -1.452 1.00 4.45 H new ATOM 0 HB2 ARG A2076 11.080 -3.981 -3.457 1.00 65.31 H new ATOM 0 HB3 ARG A2076 10.802 -2.450 -4.263 1.00 65.31 H new ATOM 0 HG2 ARG A2076 13.151 -2.264 -2.532 1.00 22.13 H new ATOM 0 HG3 ARG A2076 13.312 -3.626 -3.622 1.00 22.13 H new ATOM 0 HD2 ARG A2076 12.323 -1.673 -5.329 1.00 41.41 H new ATOM 0 HD3 ARG A2076 13.293 -0.713 -4.230 1.00 41.41 H new ATOM 0 HE ARG A2076 14.623 -3.167 -5.236 1.00 34.21 H new ATOM 0 HH11 ARG A2076 14.090 0.336 -5.692 1.00 73.22 H new ATOM 0 HH12 ARG A2076 15.545 0.546 -6.673 1.00 73.22 H new ATOM 0 HH21 ARG A2076 16.468 -2.885 -6.485 1.00 75.15 H new ATOM 0 HH22 ARG A2076 16.897 -1.294 -7.122 1.00 75.15 H new ATOM 1040 N ASP A2077 8.654 -1.373 -2.928 1.00 71.24 N ATOM 1041 CA ASP A2077 7.740 -0.302 -3.289 1.00 10.31 C ATOM 1042 C ASP A2077 7.311 0.444 -2.025 1.00 24.22 C ATOM 1043 O ASP A2077 7.463 1.661 -1.936 1.00 62.33 O ATOM 1044 CB ASP A2077 6.481 -0.855 -3.961 1.00 4.53 C ATOM 1045 CG ASP A2077 6.724 -1.594 -5.280 1.00 24.54 C ATOM 1046 OD1 ASP A2077 6.504 -2.811 -5.380 1.00 75.33 O ATOM 1047 OD2 ASP A2077 7.167 -0.860 -6.244 1.00 70.54 O ATOM 0 H ASP A2077 8.290 -2.314 -3.079 1.00 71.24 H new ATOM 0 HA ASP A2077 8.257 0.363 -3.982 1.00 10.31 H new ATOM 0 HB2 ASP A2077 5.985 -1.534 -3.267 1.00 4.53 H new ATOM 0 HB3 ASP A2077 5.793 -0.030 -4.145 1.00 4.53 H new ATOM 1053 N LEU A2078 6.782 -0.316 -1.077 1.00 63.02 N ATOM 1054 CA LEU A2078 6.329 0.257 0.178 1.00 54.12 C ATOM 1055 C LEU A2078 7.457 1.094 0.787 1.00 61.13 C ATOM 1056 O LEU A2078 7.223 2.200 1.271 1.00 73.55 O ATOM 1057 CB LEU A2078 5.804 -0.837 1.109 1.00 31.31 C ATOM 1058 CG LEU A2078 4.463 -1.463 0.719 1.00 5.14 C ATOM 1059 CD1 LEU A2078 4.461 -1.878 -0.754 1.00 53.15 C ATOM 1060 CD2 LEU A2078 4.113 -2.630 1.643 1.00 2.41 C ATOM 0 H LEU A2078 6.657 -1.325 -1.154 1.00 63.02 H new ATOM 0 HA LEU A2078 5.488 0.929 0.008 1.00 54.12 H new ATOM 0 HB2 LEU A2078 6.550 -1.630 1.163 1.00 31.31 H new ATOM 0 HB3 LEU A2078 5.710 -0.419 2.111 1.00 31.31 H new ATOM 0 HG LEU A2078 3.685 -0.710 0.844 1.00 5.14 H new ATOM 0 HD11 LEU A2078 3.497 -2.320 -1.006 1.00 53.15 H new ATOM 0 HD12 LEU A2078 4.633 -1.002 -1.379 1.00 53.15 H new ATOM 0 HD13 LEU A2078 5.251 -2.608 -0.927 1.00 53.15 H new ATOM 0 HD21 LEU A2078 3.156 -3.057 1.344 1.00 2.41 H new ATOM 0 HD22 LEU A2078 4.888 -3.394 1.574 1.00 2.41 H new ATOM 0 HD23 LEU A2078 4.046 -2.273 2.671 1.00 2.41 H new ATOM 1072 N MET A2079 8.656 0.533 0.744 1.00 71.43 N ATOM 1073 CA MET A2079 9.821 1.212 1.285 1.00 74.43 C ATOM 1074 C MET A2079 10.000 2.590 0.643 1.00 24.12 C ATOM 1075 O MET A2079 10.154 3.590 1.340 1.00 65.20 O ATOM 1076 CB MET A2079 11.070 0.365 1.035 1.00 3.20 C ATOM 1077 CG MET A2079 12.323 1.066 1.563 1.00 71.33 C ATOM 1078 SD MET A2079 13.479 -0.142 2.189 1.00 13.23 S ATOM 1079 CE MET A2079 12.490 -0.880 3.477 1.00 33.01 C ATOM 0 H MET A2079 8.846 -0.385 0.342 1.00 71.43 H new ATOM 0 HA MET A2079 9.673 1.348 2.356 1.00 74.43 H new ATOM 0 HB2 MET A2079 10.959 -0.604 1.521 1.00 3.20 H new ATOM 0 HB3 MET A2079 11.178 0.176 -0.033 1.00 3.20 H new ATOM 0 HG2 MET A2079 12.787 1.648 0.767 1.00 71.33 H new ATOM 0 HG3 MET A2079 12.052 1.766 2.353 1.00 71.33 H new ATOM 0 HE1 MET A2079 13.124 -1.119 4.331 1.00 33.01 H new ATOM 0 HE2 MET A2079 11.714 -0.180 3.786 1.00 33.01 H new ATOM 0 HE3 MET A2079 12.027 -1.793 3.102 1.00 33.01 H new ATOM 1089 N GLU A2080 9.976 2.595 -0.683 1.00 32.14 N ATOM 1090 CA GLU A2080 10.134 3.831 -1.428 1.00 41.44 C ATOM 1091 C GLU A2080 8.949 4.764 -1.169 1.00 34.10 C ATOM 1092 O GLU A2080 9.134 5.941 -0.863 1.00 30.02 O ATOM 1093 CB GLU A2080 10.294 3.554 -2.925 1.00 74.43 C ATOM 1094 CG GLU A2080 10.476 4.855 -3.707 1.00 0.43 C ATOM 1095 CD GLU A2080 11.397 4.646 -4.913 1.00 61.10 C ATOM 1096 OE1 GLU A2080 11.176 3.721 -5.708 1.00 43.42 O ATOM 1097 OE2 GLU A2080 12.372 5.486 -5.007 1.00 73.11 O ATOM 0 H GLU A2080 9.850 1.763 -1.259 1.00 32.14 H new ATOM 0 HA GLU A2080 11.043 4.324 -1.083 1.00 41.44 H new ATOM 0 HB2 GLU A2080 11.154 2.904 -3.088 1.00 74.43 H new ATOM 0 HB3 GLU A2080 9.418 3.022 -3.296 1.00 74.43 H new ATOM 0 HG2 GLU A2080 9.506 5.219 -4.045 1.00 0.43 H new ATOM 0 HG3 GLU A2080 10.894 5.621 -3.054 1.00 0.43 H new ATOM 1105 N ALA A2081 7.755 4.202 -1.300 1.00 73.43 N ATOM 1106 CA ALA A2081 6.540 4.968 -1.081 1.00 40.51 C ATOM 1107 C ALA A2081 6.576 5.588 0.316 1.00 60.34 C ATOM 1108 O ALA A2081 6.203 6.746 0.495 1.00 32.41 O ATOM 1109 CB ALA A2081 5.324 4.065 -1.289 1.00 72.00 C ATOM 0 H ALA A2081 7.604 3.226 -1.555 1.00 73.43 H new ATOM 0 HA ALA A2081 6.466 5.784 -1.800 1.00 40.51 H new ATOM 0 HB1 ALA A2081 4.412 4.639 -1.125 1.00 72.00 H new ATOM 0 HB2 ALA A2081 5.330 3.676 -2.307 1.00 72.00 H new ATOM 0 HB3 ALA A2081 5.362 3.235 -0.583 1.00 72.00 H new ATOM 1115 N GLN A2082 7.027 4.788 1.272 1.00 43.13 N ATOM 1116 CA GLN A2082 7.116 5.243 2.649 1.00 51.24 C ATOM 1117 C GLN A2082 8.071 6.433 2.754 1.00 10.41 C ATOM 1118 O GLN A2082 7.833 7.358 3.529 1.00 52.13 O ATOM 1119 CB GLN A2082 7.553 4.106 3.576 1.00 5.50 C ATOM 1120 CG GLN A2082 7.467 4.530 5.042 1.00 1.40 C ATOM 1121 CD GLN A2082 8.833 4.424 5.724 1.00 62.12 C ATOM 1122 OE1 GLN A2082 9.745 5.192 5.467 1.00 32.12 O ATOM 1123 NE2 GLN A2082 8.922 3.431 6.605 1.00 24.01 N ATOM 0 H GLN A2082 7.335 3.828 1.120 1.00 43.13 H new ATOM 0 HA GLN A2082 6.126 5.567 2.968 1.00 51.24 H new ATOM 0 HB2 GLN A2082 6.922 3.233 3.409 1.00 5.50 H new ATOM 0 HB3 GLN A2082 8.575 3.811 3.339 1.00 5.50 H new ATOM 0 HG2 GLN A2082 7.103 5.555 5.107 1.00 1.40 H new ATOM 0 HG3 GLN A2082 6.746 3.902 5.564 1.00 1.40 H new ATOM 0 HE21 GLN A2082 8.119 2.824 6.772 1.00 24.01 H new ATOM 0 HE22 GLN A2082 9.793 3.276 7.113 1.00 24.01 H new ATOM 1132 N GLU A2083 9.130 6.372 1.962 1.00 14.44 N ATOM 1133 CA GLU A2083 10.123 7.433 1.956 1.00 51.31 C ATOM 1134 C GLU A2083 9.504 8.737 1.444 1.00 65.43 C ATOM 1135 O GLU A2083 9.821 9.817 1.940 1.00 31.43 O ATOM 1136 CB GLU A2083 11.342 7.040 1.120 1.00 15.04 C ATOM 1137 CG GLU A2083 11.593 8.055 0.003 1.00 54.54 C ATOM 1138 CD GLU A2083 12.750 7.611 -0.894 1.00 42.12 C ATOM 1139 OE1 GLU A2083 13.917 7.891 -0.584 1.00 44.24 O ATOM 1140 OE2 GLU A2083 12.401 6.949 -1.945 1.00 73.41 O ATOM 0 H GLU A2083 9.323 5.604 1.319 1.00 14.44 H new ATOM 0 HA GLU A2083 10.462 7.591 2.980 1.00 51.31 H new ATOM 0 HB2 GLU A2083 12.221 6.975 1.761 1.00 15.04 H new ATOM 0 HB3 GLU A2083 11.188 6.051 0.689 1.00 15.04 H new ATOM 0 HG2 GLU A2083 10.689 8.173 -0.595 1.00 54.54 H new ATOM 0 HG3 GLU A2083 11.818 9.029 0.436 1.00 54.54 H new ATOM 1148 N TRP A2084 8.632 8.591 0.457 1.00 73.50 N ATOM 1149 CA TRP A2084 7.965 9.742 -0.129 1.00 12.13 C ATOM 1150 C TRP A2084 6.896 10.220 0.856 1.00 33.50 C ATOM 1151 O TRP A2084 6.501 11.385 0.832 1.00 11.14 O ATOM 1152 CB TRP A2084 7.399 9.405 -1.509 1.00 11.43 C ATOM 1153 CG TRP A2084 8.465 9.040 -2.547 1.00 60.43 C ATOM 1154 CD1 TRP A2084 8.795 7.822 -2.995 1.00 64.11 C ATOM 1155 CD2 TRP A2084 9.330 9.956 -3.247 1.00 53.25 C ATOM 1156 NE1 TRP A2084 9.805 7.885 -3.933 1.00 74.00 N ATOM 1157 CE2 TRP A2084 10.141 9.225 -4.091 1.00 14.41 C ATOM 1158 CE3 TRP A2084 9.424 11.357 -3.174 1.00 75.22 C ATOM 1159 CZ2 TRP A2084 11.105 9.808 -4.923 1.00 61.15 C ATOM 1160 CZ3 TRP A2084 10.392 11.925 -4.011 1.00 3.41 C ATOM 1161 CH2 TRP A2084 11.216 11.201 -4.867 1.00 34.24 C ATOM 0 H TRP A2084 8.372 7.693 0.048 1.00 73.50 H new ATOM 0 HA TRP A2084 8.673 10.554 -0.297 1.00 12.13 H new ATOM 0 HB2 TRP A2084 6.702 8.573 -1.411 1.00 11.43 H new ATOM 0 HB3 TRP A2084 6.828 10.258 -1.874 1.00 11.43 H new ATOM 0 HD1 TRP A2084 8.329 6.906 -2.664 1.00 64.11 H new ATOM 0 HE1 TRP A2084 10.227 7.095 -4.420 1.00 74.00 H new ATOM 0 HE3 TRP A2084 8.798 11.949 -2.523 1.00 75.22 H new ATOM 0 HZ2 TRP A2084 11.730 9.213 -5.573 1.00 61.15 H new ATOM 0 HZ3 TRP A2084 10.507 12.999 -3.991 1.00 3.41 H new ATOM 0 HH2 TRP A2084 11.938 11.713 -5.486 1.00 34.24 H new ATOM 1172 N CYS A2085 6.457 9.295 1.699 1.00 40.23 N ATOM 1173 CA CYS A2085 5.440 9.608 2.688 1.00 35.35 C ATOM 1174 C CYS A2085 6.036 10.601 3.691 1.00 25.31 C ATOM 1175 O CYS A2085 5.515 11.702 3.861 1.00 32.33 O ATOM 1176 CB CYS A2085 4.915 8.347 3.378 1.00 11.42 C ATOM 1177 SG CYS A2085 4.366 8.744 5.078 1.00 42.52 S ATOM 0 H CYS A2085 6.787 8.330 1.717 1.00 40.23 H new ATOM 0 HA CYS A2085 4.578 10.060 2.197 1.00 35.35 H new ATOM 0 HB2 CYS A2085 4.085 7.929 2.808 1.00 11.42 H new ATOM 0 HB3 CYS A2085 5.696 7.587 3.408 1.00 11.42 H new ATOM 0 HG CYS A2085 3.096 9.023 5.070 1.00 42.52 H new ATOM 1183 N ARG A2086 7.116 10.173 4.328 1.00 64.33 N ATOM 1184 CA ARG A2086 7.786 11.009 5.309 1.00 3.40 C ATOM 1185 C ARG A2086 8.310 12.286 4.648 1.00 1.51 C ATOM 1186 O ARG A2086 8.427 13.323 5.297 1.00 33.11 O ATOM 1187 CB ARG A2086 8.953 10.266 5.962 1.00 24.13 C ATOM 1188 CG ARG A2086 10.149 10.180 5.013 1.00 2.43 C ATOM 1189 CD ARG A2086 10.745 8.771 5.005 1.00 34.03 C ATOM 1190 NE ARG A2086 11.365 8.477 6.316 1.00 73.04 N ATOM 1191 CZ ARG A2086 12.562 8.956 6.713 1.00 61.43 C ATOM 1192 NH1 ARG A2086 13.282 9.759 5.900 1.00 73.23 N ATOM 1193 NH2 ARG A2086 13.019 8.628 7.907 1.00 51.11 N ATOM 0 H ARG A2086 7.544 9.258 4.184 1.00 64.33 H new ATOM 0 HA ARG A2086 7.058 11.265 6.078 1.00 3.40 H new ATOM 0 HB2 ARG A2086 9.247 10.778 6.878 1.00 24.13 H new ATOM 0 HB3 ARG A2086 8.636 9.262 6.245 1.00 24.13 H new ATOM 0 HG2 ARG A2086 9.837 10.452 4.005 1.00 2.43 H new ATOM 0 HG3 ARG A2086 10.910 10.899 5.316 1.00 2.43 H new ATOM 0 HD2 ARG A2086 9.967 8.039 4.789 1.00 34.03 H new ATOM 0 HD3 ARG A2086 11.490 8.687 4.214 1.00 34.03 H new ATOM 0 HE ARG A2086 10.855 7.874 6.961 1.00 73.04 H new ATOM 0 HH11 ARG A2086 12.922 10.007 4.979 1.00 73.23 H new ATOM 0 HH12 ARG A2086 14.186 10.117 6.207 1.00 73.23 H new ATOM 0 HH21 ARG A2086 12.469 8.021 8.514 1.00 51.11 H new ATOM 0 HH22 ARG A2086 13.922 8.982 8.222 1.00 51.11 H new ATOM 1205 N LYS A2087 8.611 12.167 3.362 1.00 34.42 N ATOM 1206 CA LYS A2087 9.121 13.300 2.605 1.00 62.42 C ATOM 1207 C LYS A2087 8.072 14.414 2.595 1.00 73.34 C ATOM 1208 O LYS A2087 8.379 15.563 2.906 1.00 4.03 O ATOM 1209 CB LYS A2087 9.561 12.855 1.209 1.00 63.34 C ATOM 1210 CG LYS A2087 11.084 12.894 1.077 1.00 31.35 C ATOM 1211 CD LYS A2087 11.557 12.015 -0.083 1.00 24.34 C ATOM 1212 CE LYS A2087 12.796 12.611 -0.753 1.00 73.31 C ATOM 1213 NZ LYS A2087 13.874 11.599 -0.844 1.00 23.40 N ATOM 0 H LYS A2087 8.512 11.305 2.826 1.00 34.42 H new ATOM 0 HA LYS A2087 10.013 13.707 3.080 1.00 62.42 H new ATOM 0 HB2 LYS A2087 9.201 11.845 1.015 1.00 63.34 H new ATOM 0 HB3 LYS A2087 9.110 13.503 0.458 1.00 63.34 H new ATOM 0 HG2 LYS A2087 11.412 13.921 0.917 1.00 31.35 H new ATOM 0 HG3 LYS A2087 11.542 12.554 2.006 1.00 31.35 H new ATOM 0 HD2 LYS A2087 11.784 11.014 0.284 1.00 24.34 H new ATOM 0 HD3 LYS A2087 10.757 11.912 -0.816 1.00 24.34 H new ATOM 0 HE2 LYS A2087 12.541 12.969 -1.750 1.00 73.31 H new ATOM 0 HE3 LYS A2087 13.145 13.473 -0.184 1.00 73.31 H new ATOM 0 HZ1 LYS A2087 14.708 12.020 -1.301 1.00 23.40 H new ATOM 0 HZ2 LYS A2087 14.129 11.277 0.111 1.00 23.40 H new ATOM 0 HZ3 LYS A2087 13.543 10.789 -1.406 1.00 23.40 H new ATOM 1226 N TYR A2088 6.855 14.033 2.234 1.00 71.01 N ATOM 1227 CA TYR A2088 5.759 14.985 2.179 1.00 63.22 C ATOM 1228 C TYR A2088 5.331 15.412 3.585 1.00 71.41 C ATOM 1229 O TYR A2088 5.081 16.591 3.831 1.00 62.33 O ATOM 1230 CB TYR A2088 4.597 14.252 1.506 1.00 33.11 C ATOM 1231 CG TYR A2088 3.215 14.771 1.911 1.00 14.44 C ATOM 1232 CD1 TYR A2088 2.644 14.358 3.098 1.00 32.11 C ATOM 1233 CD2 TYR A2088 2.540 15.651 1.090 1.00 75.13 C ATOM 1234 CE1 TYR A2088 1.345 14.846 3.480 1.00 44.42 C ATOM 1235 CE2 TYR A2088 1.241 16.140 1.473 1.00 1.44 C ATOM 1236 CZ TYR A2088 0.707 15.713 2.647 1.00 33.15 C ATOM 1237 OH TYR A2088 -0.521 16.174 3.007 1.00 73.42 O ATOM 0 H TYR A2088 6.604 13.078 1.977 1.00 71.01 H new ATOM 0 HA TYR A2088 6.058 15.882 1.637 1.00 63.22 H new ATOM 0 HB2 TYR A2088 4.704 14.339 0.425 1.00 33.11 H new ATOM 0 HB3 TYR A2088 4.661 13.191 1.749 1.00 33.11 H new ATOM 0 HD1 TYR A2088 3.172 13.669 3.740 1.00 32.11 H new ATOM 0 HD2 TYR A2088 2.986 15.973 0.160 1.00 75.13 H new ATOM 0 HE1 TYR A2088 0.887 14.532 4.406 1.00 44.42 H new ATOM 0 HE2 TYR A2088 0.703 16.831 0.841 1.00 1.44 H new ATOM 0 HH TYR A2088 -0.856 16.785 2.318 1.00 73.42 H new ATOM 1247 N MET A2089 5.261 14.429 4.472 1.00 20.22 N ATOM 1248 CA MET A2089 4.868 14.687 5.846 1.00 15.14 C ATOM 1249 C MET A2089 5.765 15.752 6.481 1.00 22.41 C ATOM 1250 O MET A2089 5.298 16.569 7.275 1.00 10.54 O ATOM 1251 CB MET A2089 4.961 13.393 6.655 1.00 11.21 C ATOM 1252 CG MET A2089 3.761 12.485 6.376 1.00 10.32 C ATOM 1253 SD MET A2089 3.336 11.564 7.846 1.00 52.11 S ATOM 1254 CE MET A2089 1.573 11.833 7.881 1.00 53.41 C ATOM 0 H MET A2089 5.470 13.452 4.265 1.00 20.22 H new ATOM 0 HA MET A2089 3.842 15.054 5.848 1.00 15.14 H new ATOM 0 HB2 MET A2089 5.884 12.869 6.405 1.00 11.21 H new ATOM 0 HB3 MET A2089 5.005 13.627 7.719 1.00 11.21 H new ATOM 0 HG2 MET A2089 2.909 13.083 6.053 1.00 10.32 H new ATOM 0 HG3 MET A2089 3.995 11.799 5.562 1.00 10.32 H new ATOM 0 HE1 MET A2089 1.302 12.352 8.801 1.00 53.41 H new ATOM 0 HE2 MET A2089 1.280 12.438 7.023 1.00 53.41 H new ATOM 0 HE3 MET A2089 1.058 10.873 7.841 1.00 53.41 H new ATOM 1264 N LYS A2090 7.035 15.709 6.110 1.00 43.02 N ATOM 1265 CA LYS A2090 8.002 16.659 6.633 1.00 32.20 C ATOM 1266 C LYS A2090 8.123 17.841 5.669 1.00 42.15 C ATOM 1267 O LYS A2090 7.917 18.989 6.059 1.00 62.42 O ATOM 1268 CB LYS A2090 9.334 15.965 6.925 1.00 21.00 C ATOM 1269 CG LYS A2090 9.682 16.051 8.412 1.00 10.22 C ATOM 1270 CD LYS A2090 10.165 17.456 8.782 1.00 13.14 C ATOM 1271 CE LYS A2090 9.295 18.062 9.884 1.00 2.22 C ATOM 1272 NZ LYS A2090 10.018 18.061 11.175 1.00 12.04 N ATOM 0 H LYS A2090 7.418 15.030 5.452 1.00 43.02 H new ATOM 0 HA LYS A2090 7.662 17.059 7.588 1.00 32.20 H new ATOM 0 HB2 LYS A2090 9.278 14.920 6.621 1.00 21.00 H new ATOM 0 HB3 LYS A2090 10.126 16.427 6.335 1.00 21.00 H new ATOM 0 HG2 LYS A2090 8.807 15.794 9.009 1.00 10.22 H new ATOM 0 HG3 LYS A2090 10.456 15.322 8.651 1.00 10.22 H new ATOM 0 HD2 LYS A2090 11.202 17.412 9.115 1.00 13.14 H new ATOM 0 HD3 LYS A2090 10.140 18.097 7.901 1.00 13.14 H new ATOM 0 HE2 LYS A2090 9.017 19.082 9.617 1.00 2.22 H new ATOM 0 HE3 LYS A2090 8.369 17.494 9.978 1.00 2.22 H new ATOM 0 HZ1 LYS A2090 9.413 18.476 11.912 1.00 12.04 H new ATOM 0 HZ2 LYS A2090 10.261 17.084 11.436 1.00 12.04 H new ATOM 0 HZ3 LYS A2090 10.889 18.622 11.086 1.00 12.04 H new ATOM 1285 N SER A2091 8.457 17.518 4.428 1.00 43.21 N ATOM 1286 CA SER A2091 8.606 18.539 3.403 1.00 31.44 C ATOM 1287 C SER A2091 7.270 19.245 3.169 1.00 24.24 C ATOM 1288 O SER A2091 7.151 20.448 3.395 1.00 31.35 O ATOM 1289 CB SER A2091 9.126 17.936 2.097 1.00 15.13 C ATOM 1290 OG SER A2091 9.767 18.910 1.277 1.00 63.30 O ATOM 0 H SER A2091 8.629 16.565 4.109 1.00 43.21 H new ATOM 0 HA SER A2091 9.338 19.269 3.750 1.00 31.44 H new ATOM 0 HB2 SER A2091 9.828 17.133 2.323 1.00 15.13 H new ATOM 0 HB3 SER A2091 8.297 17.489 1.548 1.00 15.13 H new ATOM 0 HG SER A2091 10.086 18.485 0.454 1.00 63.30 H new ATOM 1296 N GLY A2092 6.297 18.467 2.716 1.00 11.14 N ATOM 1297 CA GLY A2092 4.975 19.003 2.448 1.00 61.01 C ATOM 1298 C GLY A2092 4.807 19.329 0.962 1.00 65.22 C ATOM 1299 O GLY A2092 4.976 20.476 0.552 1.00 42.30 O ATOM 0 H GLY A2092 6.399 17.470 2.528 1.00 11.14 H new ATOM 0 HA2 GLY A2092 4.217 18.282 2.754 1.00 61.01 H new ATOM 0 HA3 GLY A2092 4.816 19.903 3.042 1.00 61.01 H new ATOM 1303 N ASN A2093 4.475 18.299 0.197 1.00 11.42 N ATOM 1304 CA ASN A2093 4.283 18.462 -1.234 1.00 54.34 C ATOM 1305 C ASN A2093 3.505 17.264 -1.780 1.00 0.14 C ATOM 1306 O ASN A2093 4.008 16.142 -1.780 1.00 63.01 O ATOM 1307 CB ASN A2093 5.625 18.530 -1.967 1.00 53.34 C ATOM 1308 CG ASN A2093 5.725 19.800 -2.814 1.00 74.31 C ATOM 1309 OD1 ASN A2093 5.255 20.863 -2.443 1.00 75.03 O ATOM 1310 ND2 ASN A2093 6.362 19.631 -3.970 1.00 61.20 N ATOM 0 H ASN A2093 4.334 17.349 0.541 1.00 11.42 H new ATOM 0 HA ASN A2093 3.737 19.391 -1.397 1.00 54.34 H new ATOM 0 HB2 ASN A2093 6.440 18.506 -1.243 1.00 53.34 H new ATOM 0 HB3 ASN A2093 5.740 17.654 -2.605 1.00 53.34 H new ATOM 0 HD21 ASN A2093 6.481 20.419 -4.607 1.00 61.20 H new ATOM 0 HD22 ASN A2093 6.731 18.714 -4.219 1.00 61.20 H new ATOM 1317 N VAL A2094 2.292 17.543 -2.233 1.00 61.15 N ATOM 1318 CA VAL A2094 1.440 16.501 -2.779 1.00 52.51 C ATOM 1319 C VAL A2094 2.207 15.735 -3.859 1.00 33.44 C ATOM 1320 O VAL A2094 1.947 14.556 -4.091 1.00 23.42 O ATOM 1321 CB VAL A2094 0.132 17.110 -3.293 1.00 13.05 C ATOM 1322 CG1 VAL A2094 -0.505 16.217 -4.361 1.00 5.23 C ATOM 1323 CG2 VAL A2094 -0.841 17.371 -2.144 1.00 42.14 C ATOM 0 H VAL A2094 1.879 18.476 -2.233 1.00 61.15 H new ATOM 0 HA VAL A2094 1.168 15.785 -2.004 1.00 52.51 H new ATOM 0 HB VAL A2094 0.367 18.069 -3.755 1.00 13.05 H new ATOM 0 HG11 VAL A2094 -1.432 16.672 -4.710 1.00 5.23 H new ATOM 0 HG12 VAL A2094 0.182 16.106 -5.200 1.00 5.23 H new ATOM 0 HG13 VAL A2094 -0.719 15.237 -3.935 1.00 5.23 H new ATOM 0 HG21 VAL A2094 -1.761 17.803 -2.537 1.00 42.14 H new ATOM 0 HG22 VAL A2094 -1.068 16.432 -1.639 1.00 42.14 H new ATOM 0 HG23 VAL A2094 -0.389 18.064 -1.435 1.00 42.14 H new ATOM 1333 N LYS A2095 3.137 16.437 -4.490 1.00 61.43 N ATOM 1334 CA LYS A2095 3.944 15.837 -5.539 1.00 53.34 C ATOM 1335 C LYS A2095 4.565 14.539 -5.021 1.00 74.33 C ATOM 1336 O LYS A2095 4.426 13.487 -5.643 1.00 12.12 O ATOM 1337 CB LYS A2095 4.971 16.843 -6.065 1.00 25.31 C ATOM 1338 CG LYS A2095 5.609 16.345 -7.364 1.00 11.24 C ATOM 1339 CD LYS A2095 7.078 16.766 -7.450 1.00 21.20 C ATOM 1340 CE LYS A2095 8.005 15.572 -7.216 1.00 0.10 C ATOM 1341 NZ LYS A2095 8.580 15.104 -8.497 1.00 72.03 N ATOM 0 H LYS A2095 3.350 17.415 -4.295 1.00 61.43 H new ATOM 0 HA LYS A2095 3.322 15.573 -6.394 1.00 53.34 H new ATOM 0 HB2 LYS A2095 4.488 17.805 -6.238 1.00 25.31 H new ATOM 0 HB3 LYS A2095 5.744 17.005 -5.314 1.00 25.31 H new ATOM 0 HG2 LYS A2095 5.535 15.259 -7.417 1.00 11.24 H new ATOM 0 HG3 LYS A2095 5.062 16.744 -8.218 1.00 11.24 H new ATOM 0 HD2 LYS A2095 7.279 17.200 -8.429 1.00 21.20 H new ATOM 0 HD3 LYS A2095 7.282 17.540 -6.710 1.00 21.20 H new ATOM 0 HE2 LYS A2095 8.806 15.854 -6.533 1.00 0.10 H new ATOM 0 HE3 LYS A2095 7.452 14.762 -6.741 1.00 0.10 H new ATOM 0 HZ1 LYS A2095 9.207 14.293 -8.320 1.00 72.03 H new ATOM 0 HZ2 LYS A2095 7.813 14.816 -9.137 1.00 72.03 H new ATOM 0 HZ3 LYS A2095 9.125 15.874 -8.935 1.00 72.03 H new ATOM 1354 N ASP A2096 5.236 14.655 -3.884 1.00 72.20 N ATOM 1355 CA ASP A2096 5.880 13.504 -3.273 1.00 43.32 C ATOM 1356 C ASP A2096 4.809 12.509 -2.819 1.00 4.43 C ATOM 1357 O ASP A2096 5.020 11.298 -2.873 1.00 42.33 O ATOM 1358 CB ASP A2096 6.693 13.915 -2.044 1.00 63.11 C ATOM 1359 CG ASP A2096 8.012 14.629 -2.351 1.00 44.14 C ATOM 1360 OD1 ASP A2096 8.429 14.725 -3.515 1.00 13.34 O ATOM 1361 OD2 ASP A2096 8.626 15.105 -1.323 1.00 31.53 O ATOM 0 H ASP A2096 5.348 15.529 -3.370 1.00 72.20 H new ATOM 0 HA ASP A2096 6.545 13.057 -4.012 1.00 43.32 H new ATOM 0 HB2 ASP A2096 6.080 14.568 -1.423 1.00 63.11 H new ATOM 0 HB3 ASP A2096 6.908 13.024 -1.454 1.00 63.11 H new ATOM 1367 N LEU A2097 3.684 13.056 -2.382 1.00 12.23 N ATOM 1368 CA LEU A2097 2.580 12.231 -1.920 1.00 40.02 C ATOM 1369 C LEU A2097 2.029 11.420 -3.094 1.00 14.34 C ATOM 1370 O LEU A2097 1.767 10.226 -2.959 1.00 21.42 O ATOM 1371 CB LEU A2097 1.528 13.091 -1.218 1.00 63.41 C ATOM 1372 CG LEU A2097 0.863 12.467 0.011 1.00 31.22 C ATOM 1373 CD1 LEU A2097 -0.328 13.307 0.476 1.00 21.04 C ATOM 1374 CD2 LEU A2097 0.471 11.013 -0.257 1.00 53.35 C ATOM 0 H LEU A2097 3.513 14.061 -2.338 1.00 12.23 H new ATOM 0 HA LEU A2097 2.924 11.516 -1.173 1.00 40.02 H new ATOM 0 HB2 LEU A2097 1.996 14.028 -0.917 1.00 63.41 H new ATOM 0 HB3 LEU A2097 0.750 13.340 -1.940 1.00 63.41 H new ATOM 0 HG LEU A2097 1.588 12.459 0.825 1.00 31.22 H new ATOM 0 HD11 LEU A2097 -0.782 12.841 1.351 1.00 21.04 H new ATOM 0 HD12 LEU A2097 0.013 14.310 0.735 1.00 21.04 H new ATOM 0 HD13 LEU A2097 -1.064 13.369 -0.325 1.00 21.04 H new ATOM 0 HD21 LEU A2097 0.001 10.593 0.632 1.00 53.35 H new ATOM 0 HD22 LEU A2097 -0.229 10.973 -1.091 1.00 53.35 H new ATOM 0 HD23 LEU A2097 1.362 10.435 -0.503 1.00 53.35 H new ATOM 1386 N THR A2098 1.869 12.100 -4.219 1.00 1.02 N ATOM 1387 CA THR A2098 1.354 11.457 -5.416 1.00 11.31 C ATOM 1388 C THR A2098 2.264 10.301 -5.835 1.00 4.24 C ATOM 1389 O THR A2098 1.798 9.180 -6.032 1.00 24.24 O ATOM 1390 CB THR A2098 1.195 12.528 -6.498 1.00 70.42 C ATOM 1391 OG1 THR A2098 0.025 13.245 -6.108 1.00 21.13 O ATOM 1392 CG2 THR A2098 0.831 11.935 -7.859 1.00 54.42 C ATOM 0 H THR A2098 2.087 13.091 -4.327 1.00 1.02 H new ATOM 0 HA THR A2098 0.377 11.010 -5.234 1.00 11.31 H new ATOM 0 HB THR A2098 2.121 13.096 -6.585 1.00 70.42 H new ATOM 0 HG1 THR A2098 0.235 13.825 -5.346 1.00 21.13 H new ATOM 0 HG21 THR A2098 0.730 12.737 -8.590 1.00 54.42 H new ATOM 0 HG22 THR A2098 1.616 11.249 -8.179 1.00 54.42 H new ATOM 0 HG23 THR A2098 -0.113 11.395 -7.780 1.00 54.42 H new ATOM 1400 N GLN A2099 3.545 10.615 -5.956 1.00 51.13 N ATOM 1401 CA GLN A2099 4.526 9.615 -6.348 1.00 34.12 C ATOM 1402 C GLN A2099 4.424 8.388 -5.440 1.00 71.24 C ATOM 1403 O GLN A2099 4.365 7.258 -5.922 1.00 22.21 O ATOM 1404 CB GLN A2099 5.940 10.198 -6.327 1.00 34.11 C ATOM 1405 CG GLN A2099 6.574 10.149 -7.719 1.00 55.23 C ATOM 1406 CD GLN A2099 7.186 8.776 -7.994 1.00 3.14 C ATOM 1407 OE1 GLN A2099 7.553 8.037 -7.094 1.00 41.31 O ATOM 1408 NE2 GLN A2099 7.278 8.474 -9.286 1.00 62.21 N ATOM 0 H GLN A2099 3.927 11.546 -5.790 1.00 51.13 H new ATOM 0 HA GLN A2099 4.312 9.304 -7.371 1.00 34.12 H new ATOM 0 HB2 GLN A2099 5.907 11.229 -5.975 1.00 34.11 H new ATOM 0 HB3 GLN A2099 6.557 9.640 -5.623 1.00 34.11 H new ATOM 0 HG2 GLN A2099 5.820 10.373 -8.474 1.00 55.23 H new ATOM 0 HG3 GLN A2099 7.343 10.917 -7.799 1.00 55.23 H new ATOM 0 HE21 GLN A2099 6.952 9.137 -9.989 1.00 62.21 H new ATOM 0 HE22 GLN A2099 7.674 7.579 -9.574 1.00 62.21 H new ATOM 1417 N ALA A2100 4.407 8.652 -4.141 1.00 23.42 N ATOM 1418 CA ALA A2100 4.315 7.582 -3.162 1.00 54.44 C ATOM 1419 C ALA A2100 3.044 6.769 -3.421 1.00 60.53 C ATOM 1420 O ALA A2100 3.088 5.540 -3.462 1.00 3.54 O ATOM 1421 CB ALA A2100 4.349 8.177 -1.752 1.00 55.55 C ATOM 0 H ALA A2100 4.455 9.590 -3.744 1.00 23.42 H new ATOM 0 HA ALA A2100 5.164 6.905 -3.251 1.00 54.44 H new ATOM 0 HB1 ALA A2100 4.280 7.375 -1.017 1.00 55.55 H new ATOM 0 HB2 ALA A2100 5.283 8.721 -1.609 1.00 55.55 H new ATOM 0 HB3 ALA A2100 3.508 8.859 -1.625 1.00 55.55 H new ATOM 1427 N TRP A2101 1.944 7.487 -3.587 1.00 64.23 N ATOM 1428 CA TRP A2101 0.665 6.847 -3.840 1.00 60.13 C ATOM 1429 C TRP A2101 0.791 6.027 -5.126 1.00 50.34 C ATOM 1430 O TRP A2101 0.164 4.978 -5.260 1.00 42.21 O ATOM 1431 CB TRP A2101 -0.462 7.881 -3.899 1.00 43.34 C ATOM 1432 CG TRP A2101 -1.463 7.779 -2.744 1.00 4.23 C ATOM 1433 CD1 TRP A2101 -1.499 8.503 -1.618 1.00 43.35 C ATOM 1434 CD2 TRP A2101 -2.577 6.866 -2.650 1.00 22.34 C ATOM 1435 NE1 TRP A2101 -2.550 8.124 -0.808 1.00 74.11 N ATOM 1436 CE2 TRP A2101 -3.225 7.096 -1.455 1.00 43.44 C ATOM 1437 CE3 TRP A2101 -3.020 5.874 -3.544 1.00 52.24 C ATOM 1438 CZ2 TRP A2101 -4.356 6.381 -1.044 1.00 2.03 C ATOM 1439 CZ3 TRP A2101 -4.150 5.167 -3.120 1.00 23.45 C ATOM 1440 CH2 TRP A2101 -4.816 5.389 -1.919 1.00 1.41 C ATOM 0 H TRP A2101 1.912 8.506 -3.551 1.00 64.23 H new ATOM 0 HA TRP A2101 0.402 6.174 -3.023 1.00 60.13 H new ATOM 0 HB2 TRP A2101 -0.025 8.880 -3.900 1.00 43.34 H new ATOM 0 HB3 TRP A2101 -0.997 7.766 -4.841 1.00 43.34 H new ATOM 0 HD1 TRP A2101 -0.795 9.285 -1.375 1.00 43.35 H new ATOM 0 HE1 TRP A2101 -2.788 8.525 0.099 1.00 74.11 H new ATOM 0 HE3 TRP A2101 -2.526 5.674 -4.484 1.00 52.24 H new ATOM 0 HZ2 TRP A2101 -4.847 6.583 -0.104 1.00 2.03 H new ATOM 0 HZ3 TRP A2101 -4.532 4.394 -3.771 1.00 23.45 H new ATOM 0 HH2 TRP A2101 -5.684 4.799 -1.663 1.00 1.41 H new ATOM 1451 N ASP A2102 1.606 6.537 -6.035 1.00 4.43 N ATOM 1452 CA ASP A2102 1.825 5.864 -7.306 1.00 14.11 C ATOM 1453 C ASP A2102 2.405 4.471 -7.047 1.00 35.10 C ATOM 1454 O ASP A2102 1.890 3.477 -7.556 1.00 75.40 O ATOM 1455 CB ASP A2102 2.820 6.636 -8.175 1.00 74.30 C ATOM 1456 CG ASP A2102 2.392 6.832 -9.630 1.00 35.21 C ATOM 1457 OD1 ASP A2102 1.202 6.736 -9.963 1.00 72.14 O ATOM 1458 OD2 ASP A2102 3.352 7.096 -10.449 1.00 42.55 O ATOM 0 H ASP A2102 2.124 7.408 -5.919 1.00 4.43 H new ATOM 0 HA ASP A2102 0.868 5.802 -7.823 1.00 14.11 H new ATOM 0 HB2 ASP A2102 2.988 7.615 -7.726 1.00 74.30 H new ATOM 0 HB3 ASP A2102 3.775 6.111 -8.161 1.00 74.30 H new ATOM 1464 N LEU A2103 3.467 4.444 -6.256 1.00 54.33 N ATOM 1465 CA LEU A2103 4.122 3.191 -5.925 1.00 1.32 C ATOM 1466 C LEU A2103 3.101 2.236 -5.304 1.00 42.15 C ATOM 1467 O LEU A2103 2.951 1.102 -5.757 1.00 32.12 O ATOM 1468 CB LEU A2103 5.345 3.442 -5.039 1.00 3.42 C ATOM 1469 CG LEU A2103 6.597 3.946 -5.757 1.00 15.01 C ATOM 1470 CD1 LEU A2103 6.515 5.453 -6.013 1.00 42.12 C ATOM 1471 CD2 LEU A2103 7.862 3.567 -4.983 1.00 12.45 C ATOM 0 H LEU A2103 3.890 5.271 -5.834 1.00 54.33 H new ATOM 0 HA LEU A2103 4.503 2.711 -6.827 1.00 1.32 H new ATOM 0 HB2 LEU A2103 5.072 4.168 -4.273 1.00 3.42 H new ATOM 0 HB3 LEU A2103 5.594 2.514 -4.524 1.00 3.42 H new ATOM 0 HG LEU A2103 6.652 3.456 -6.729 1.00 15.01 H new ATOM 0 HD11 LEU A2103 7.418 5.785 -6.525 1.00 42.12 H new ATOM 0 HD12 LEU A2103 5.646 5.670 -6.634 1.00 42.12 H new ATOM 0 HD13 LEU A2103 6.422 5.979 -5.063 1.00 42.12 H new ATOM 0 HD21 LEU A2103 8.739 3.937 -5.515 1.00 12.45 H new ATOM 0 HD22 LEU A2103 7.827 4.011 -3.988 1.00 12.45 H new ATOM 0 HD23 LEU A2103 7.923 2.482 -4.894 1.00 12.45 H new ATOM 1483 N TYR A2104 2.422 2.730 -4.279 1.00 31.55 N ATOM 1484 CA TYR A2104 1.419 1.933 -3.591 1.00 52.42 C ATOM 1485 C TYR A2104 0.341 1.452 -4.565 1.00 44.35 C ATOM 1486 O TYR A2104 -0.039 0.283 -4.548 1.00 20.13 O ATOM 1487 CB TYR A2104 0.779 2.863 -2.559 1.00 63.45 C ATOM 1488 CG TYR A2104 1.612 3.048 -1.288 1.00 72.05 C ATOM 1489 CD1 TYR A2104 2.273 1.973 -0.734 1.00 64.41 C ATOM 1490 CD2 TYR A2104 1.700 4.292 -0.697 1.00 72.20 C ATOM 1491 CE1 TYR A2104 3.057 2.146 0.462 1.00 64.13 C ATOM 1492 CE2 TYR A2104 2.484 4.466 0.499 1.00 52.12 C ATOM 1493 CZ TYR A2104 3.123 3.384 1.020 1.00 15.41 C ATOM 1494 OH TYR A2104 3.864 3.548 2.148 1.00 53.33 O ATOM 0 H TYR A2104 2.546 3.672 -3.908 1.00 31.55 H new ATOM 0 HA TYR A2104 1.872 1.052 -3.136 1.00 52.42 H new ATOM 0 HB2 TYR A2104 0.612 3.838 -3.017 1.00 63.45 H new ATOM 0 HB3 TYR A2104 -0.199 2.468 -2.286 1.00 63.45 H new ATOM 0 HD1 TYR A2104 2.203 1.000 -1.197 1.00 64.41 H new ATOM 0 HD2 TYR A2104 1.182 5.134 -1.131 1.00 72.20 H new ATOM 0 HE1 TYR A2104 3.580 1.312 0.905 1.00 64.13 H new ATOM 0 HE2 TYR A2104 2.563 5.434 0.971 1.00 52.12 H new ATOM 0 HH TYR A2104 3.821 4.484 2.434 1.00 53.33 H new ATOM 1504 N TYR A2105 -0.123 2.380 -5.390 1.00 55.13 N ATOM 1505 CA TYR A2105 -1.151 2.065 -6.369 1.00 55.42 C ATOM 1506 C TYR A2105 -0.780 0.816 -7.170 1.00 51.51 C ATOM 1507 O TYR A2105 -1.612 -0.068 -7.367 1.00 51.11 O ATOM 1508 CB TYR A2105 -1.211 3.267 -7.316 1.00 23.24 C ATOM 1509 CG TYR A2105 -2.408 3.245 -8.269 1.00 65.12 C ATOM 1510 CD1 TYR A2105 -3.325 2.215 -8.204 1.00 52.40 C ATOM 1511 CD2 TYR A2105 -2.572 4.257 -9.194 1.00 21.41 C ATOM 1512 CE1 TYR A2105 -4.450 2.196 -9.103 1.00 74.54 C ATOM 1513 CE2 TYR A2105 -3.698 4.237 -10.092 1.00 31.23 C ATOM 1514 CZ TYR A2105 -4.580 3.208 -10.001 1.00 73.54 C ATOM 1515 OH TYR A2105 -5.646 3.189 -10.848 1.00 4.04 O ATOM 0 H TYR A2105 0.194 3.350 -5.401 1.00 55.13 H new ATOM 0 HA TYR A2105 -2.105 1.871 -5.878 1.00 55.42 H new ATOM 0 HB2 TYR A2105 -1.246 4.182 -6.725 1.00 23.24 H new ATOM 0 HB3 TYR A2105 -0.293 3.302 -7.902 1.00 23.24 H new ATOM 0 HD1 TYR A2105 -3.199 1.424 -7.480 1.00 52.40 H new ATOM 0 HD2 TYR A2105 -1.856 5.064 -9.244 1.00 21.41 H new ATOM 0 HE1 TYR A2105 -5.174 1.396 -9.064 1.00 74.54 H new ATOM 0 HE2 TYR A2105 -3.838 5.022 -10.821 1.00 31.23 H new ATOM 0 HH TYR A2105 -5.612 3.974 -11.434 1.00 4.04 H new ATOM 1525 N HIS A2106 0.469 0.784 -7.610 1.00 21.53 N ATOM 1526 CA HIS A2106 0.959 -0.344 -8.386 1.00 13.11 C ATOM 1527 C HIS A2106 0.922 -1.611 -7.529 1.00 11.44 C ATOM 1528 O HIS A2106 0.528 -2.673 -8.005 1.00 24.41 O ATOM 1529 CB HIS A2106 2.352 -0.049 -8.949 1.00 42.12 C ATOM 1530 CG HIS A2106 2.795 -1.013 -10.025 1.00 43.23 C ATOM 1531 ND1 HIS A2106 4.076 -1.014 -10.549 1.00 20.45 N ATOM 1532 CD2 HIS A2106 2.113 -2.002 -10.670 1.00 12.51 C ATOM 1533 CE1 HIS A2106 4.150 -1.967 -11.466 1.00 42.33 C ATOM 1534 NE2 HIS A2106 2.934 -2.579 -11.541 1.00 43.30 N ATOM 0 H HIS A2106 1.156 1.519 -7.445 1.00 21.53 H new ATOM 0 HA HIS A2106 0.310 -0.510 -9.245 1.00 13.11 H new ATOM 0 HB2 HIS A2106 2.362 0.963 -9.355 1.00 42.12 H new ATOM 0 HB3 HIS A2106 3.075 -0.073 -8.134 1.00 42.12 H new ATOM 0 HD2 HIS A2106 1.081 -2.271 -10.502 1.00 12.51 H new ATOM 0 HE1 HIS A2106 5.022 -2.216 -12.052 1.00 42.33 H new ATOM 0 HE2 HIS A2106 2.694 -3.351 -12.162 1.00 43.30 H new ATOM 1543 N VAL A2107 1.340 -1.455 -6.281 1.00 24.12 N ATOM 1544 CA VAL A2107 1.360 -2.575 -5.355 1.00 50.34 C ATOM 1545 C VAL A2107 -0.062 -3.117 -5.187 1.00 52.12 C ATOM 1546 O VAL A2107 -0.306 -4.302 -5.407 1.00 71.31 O ATOM 1547 CB VAL A2107 1.996 -2.146 -4.031 1.00 44.14 C ATOM 1548 CG1 VAL A2107 1.399 -2.929 -2.859 1.00 33.11 C ATOM 1549 CG2 VAL A2107 3.516 -2.303 -4.078 1.00 20.31 C ATOM 0 H VAL A2107 1.667 -0.571 -5.890 1.00 24.12 H new ATOM 0 HA VAL A2107 1.973 -3.386 -5.748 1.00 50.34 H new ATOM 0 HB VAL A2107 1.773 -1.090 -3.877 1.00 44.14 H new ATOM 0 HG11 VAL A2107 1.867 -2.606 -1.929 1.00 33.11 H new ATOM 0 HG12 VAL A2107 0.326 -2.745 -2.808 1.00 33.11 H new ATOM 0 HG13 VAL A2107 1.578 -3.994 -3.004 1.00 33.11 H new ATOM 0 HG21 VAL A2107 3.944 -1.991 -3.125 1.00 20.31 H new ATOM 0 HG22 VAL A2107 3.768 -3.347 -4.265 1.00 20.31 H new ATOM 0 HG23 VAL A2107 3.921 -1.683 -4.878 1.00 20.31 H new ATOM 1559 N PHE A2108 -0.960 -2.224 -4.801 1.00 10.41 N ATOM 1560 CA PHE A2108 -2.349 -2.598 -4.603 1.00 63.33 C ATOM 1561 C PHE A2108 -3.025 -2.929 -5.935 1.00 2.40 C ATOM 1562 O PHE A2108 -3.974 -3.712 -5.978 1.00 0.13 O ATOM 1563 CB PHE A2108 -3.052 -1.391 -3.974 1.00 62.30 C ATOM 1564 CG PHE A2108 -2.723 -1.182 -2.496 1.00 61.42 C ATOM 1565 CD1 PHE A2108 -1.449 -0.899 -2.116 1.00 11.35 C ATOM 1566 CD2 PHE A2108 -3.706 -1.275 -1.561 1.00 22.12 C ATOM 1567 CE1 PHE A2108 -1.143 -0.703 -0.742 1.00 3.11 C ATOM 1568 CE2 PHE A2108 -3.401 -1.079 -0.187 1.00 0.01 C ATOM 1569 CZ PHE A2108 -2.126 -0.797 0.193 1.00 4.44 C ATOM 0 H PHE A2108 -0.753 -1.242 -4.620 1.00 10.41 H new ATOM 0 HA PHE A2108 -2.409 -3.482 -3.967 1.00 63.33 H new ATOM 0 HB2 PHE A2108 -2.776 -0.493 -4.528 1.00 62.30 H new ATOM 0 HB3 PHE A2108 -4.130 -1.514 -4.082 1.00 62.30 H new ATOM 0 HD1 PHE A2108 -0.669 -0.823 -2.859 1.00 11.35 H new ATOM 0 HD2 PHE A2108 -4.719 -1.498 -1.863 1.00 22.12 H new ATOM 0 HE1 PHE A2108 -0.130 -0.480 -0.441 1.00 3.11 H new ATOM 0 HE2 PHE A2108 -4.182 -1.154 0.555 1.00 0.01 H new ATOM 0 HZ PHE A2108 -1.894 -0.648 1.237 1.00 4.44 H new ATOM 1579 N ARG A2109 -2.509 -2.319 -6.992 1.00 71.54 N ATOM 1580 CA ARG A2109 -3.050 -2.538 -8.322 1.00 21.12 C ATOM 1581 C ARG A2109 -2.581 -3.888 -8.869 1.00 22.41 C ATOM 1582 O ARG A2109 -3.240 -4.481 -9.721 1.00 74.14 O ATOM 1583 CB ARG A2109 -2.618 -1.430 -9.283 1.00 74.14 C ATOM 1584 CG ARG A2109 -2.987 -1.780 -10.726 1.00 31.04 C ATOM 1585 CD ARG A2109 -2.501 -0.698 -11.693 1.00 71.42 C ATOM 1586 NE ARG A2109 -3.500 0.390 -11.779 1.00 53.14 N ATOM 1587 CZ ARG A2109 -4.595 0.354 -12.569 1.00 11.10 C ATOM 1588 NH1 ARG A2109 -4.841 -0.720 -13.350 1.00 23.12 N ATOM 1589 NH2 ARG A2109 -5.421 1.382 -12.566 1.00 75.14 N ATOM 0 H ARG A2109 -1.721 -1.672 -6.954 1.00 71.54 H new ATOM 0 HA ARG A2109 -4.137 -2.530 -8.243 1.00 21.12 H new ATOM 0 HB2 ARG A2109 -3.095 -0.492 -8.999 1.00 74.14 H new ATOM 0 HB3 ARG A2109 -1.542 -1.277 -9.206 1.00 74.14 H new ATOM 0 HG2 ARG A2109 -2.545 -2.739 -10.996 1.00 31.04 H new ATOM 0 HG3 ARG A2109 -4.068 -1.891 -10.812 1.00 31.04 H new ATOM 0 HD2 ARG A2109 -1.545 -0.299 -11.354 1.00 71.42 H new ATOM 0 HD3 ARG A2109 -2.335 -1.129 -12.680 1.00 71.42 H new ATOM 0 HE ARG A2109 -3.352 1.220 -11.205 1.00 53.14 H new ATOM 0 HH11 ARG A2109 -4.198 -1.512 -13.346 1.00 23.12 H new ATOM 0 HH12 ARG A2109 -5.670 -0.740 -13.944 1.00 23.12 H new ATOM 0 HH21 ARG A2109 -5.229 2.189 -11.973 1.00 75.14 H new ATOM 0 HH22 ARG A2109 -6.252 1.370 -13.157 1.00 75.14 H new ATOM 1601 N ARG A2110 -1.444 -4.337 -8.355 1.00 50.13 N ATOM 1602 CA ARG A2110 -0.879 -5.605 -8.782 1.00 12.22 C ATOM 1603 C ARG A2110 -1.611 -6.765 -8.107 1.00 63.04 C ATOM 1604 O ARG A2110 -2.052 -7.699 -8.777 1.00 71.42 O ATOM 1605 CB ARG A2110 0.611 -5.685 -8.442 1.00 24.01 C ATOM 1606 CG ARG A2110 1.458 -5.779 -9.713 1.00 52.53 C ATOM 1607 CD ARG A2110 1.078 -7.012 -10.536 1.00 64.20 C ATOM 1608 NE ARG A2110 2.151 -8.028 -10.451 1.00 23.20 N ATOM 1609 CZ ARG A2110 1.949 -9.354 -10.598 1.00 60.33 C ATOM 1610 NH1 ARG A2110 0.711 -9.837 -10.839 1.00 0.12 N ATOM 1611 NH2 ARG A2110 2.981 -10.173 -10.502 1.00 64.13 N ATOM 0 H ARG A2110 -0.900 -3.844 -7.647 1.00 50.13 H new ATOM 0 HA ARG A2110 -0.998 -5.675 -9.863 1.00 12.22 H new ATOM 0 HB2 ARG A2110 0.905 -4.806 -7.869 1.00 24.01 H new ATOM 0 HB3 ARG A2110 0.798 -6.554 -7.811 1.00 24.01 H new ATOM 0 HG2 ARG A2110 1.320 -4.880 -10.314 1.00 52.53 H new ATOM 0 HG3 ARG A2110 2.514 -5.826 -9.448 1.00 52.53 H new ATOM 0 HD2 ARG A2110 0.141 -7.430 -10.169 1.00 64.20 H new ATOM 0 HD3 ARG A2110 0.915 -6.729 -11.576 1.00 64.20 H new ATOM 0 HE ARG A2110 3.102 -7.706 -10.270 1.00 23.20 H new ATOM 0 HH11 ARG A2110 -0.081 -9.198 -10.911 1.00 0.12 H new ATOM 0 HH12 ARG A2110 0.568 -10.841 -10.949 1.00 0.12 H new ATOM 0 HH21 ARG A2110 3.913 -9.800 -10.319 1.00 64.13 H new ATOM 0 HH22 ARG A2110 2.846 -11.178 -10.610 1.00 64.13 H new ATOM 1623 N ILE A2111 -1.720 -6.670 -6.791 1.00 33.34 N ATOM 1624 CA ILE A2111 -2.393 -7.701 -6.018 1.00 11.21 C ATOM 1625 C ILE A2111 -3.666 -8.130 -6.748 1.00 64.44 C ATOM 1626 O ILE A2111 -4.102 -9.273 -6.624 1.00 71.54 O ATOM 1627 CB ILE A2111 -2.636 -7.223 -4.585 1.00 4.41 C ATOM 1628 CG1 ILE A2111 -3.242 -5.819 -4.571 1.00 13.12 C ATOM 1629 CG2 ILE A2111 -1.352 -7.302 -3.755 1.00 65.21 C ATOM 1630 CD1 ILE A2111 -3.549 -5.369 -3.140 1.00 63.10 C ATOM 0 H ILE A2111 -1.354 -5.895 -6.239 1.00 33.34 H new ATOM 0 HA ILE A2111 -1.762 -8.586 -5.931 1.00 11.21 H new ATOM 0 HB ILE A2111 -3.361 -7.891 -4.120 1.00 4.41 H new ATOM 0 HG12 ILE A2111 -2.551 -5.116 -5.037 1.00 13.12 H new ATOM 0 HG13 ILE A2111 -4.157 -5.808 -5.164 1.00 13.12 H new ATOM 0 HG21 ILE A2111 -1.553 -6.957 -2.741 1.00 65.21 H new ATOM 0 HG22 ILE A2111 -1.001 -8.334 -3.724 1.00 65.21 H new ATOM 0 HG23 ILE A2111 -0.587 -6.672 -4.208 1.00 65.21 H new ATOM 0 HD11 ILE A2111 -3.979 -4.368 -3.158 1.00 63.10 H new ATOM 0 HD12 ILE A2111 -4.258 -6.060 -2.685 1.00 63.10 H new ATOM 0 HD13 ILE A2111 -2.628 -5.358 -2.557 1.00 63.10 H new ATOM 1642 N SER A2112 -4.228 -7.190 -7.494 1.00 73.45 N ATOM 1643 CA SER A2112 -5.443 -7.457 -8.244 1.00 11.31 C ATOM 1644 C SER A2112 -5.093 -7.930 -9.657 1.00 55.44 C ATOM 1645 O SER A2112 -5.603 -8.949 -10.118 1.00 61.20 O ATOM 1646 CB SER A2112 -6.337 -6.216 -8.306 1.00 13.55 C ATOM 1647 OG SER A2112 -5.662 -5.102 -8.888 1.00 41.20 O ATOM 0 H SER A2112 -3.864 -6.243 -7.595 1.00 73.45 H new ATOM 0 HA SER A2112 -5.995 -8.244 -7.730 1.00 11.31 H new ATOM 0 HB2 SER A2112 -7.232 -6.442 -8.886 1.00 13.55 H new ATOM 0 HB3 SER A2112 -6.667 -5.956 -7.300 1.00 13.55 H new ATOM 0 HG SER A2112 -4.695 -5.210 -8.774 1.00 41.20 H new ATOM 1653 N LYS A2113 -4.225 -7.166 -10.304 1.00 55.44 N ATOM 1654 CA LYS A2113 -3.802 -7.494 -11.654 1.00 54.34 C ATOM 1655 C LYS A2113 -3.419 -8.974 -11.719 1.00 14.44 C ATOM 1656 O LYS A2113 -3.282 -9.628 -10.686 1.00 11.53 O ATOM 1657 CB LYS A2113 -2.688 -6.549 -12.110 1.00 43.02 C ATOM 1658 CG LYS A2113 -3.112 -5.760 -13.350 1.00 45.33 C ATOM 1659 CD LYS A2113 -2.820 -6.546 -14.628 1.00 1.34 C ATOM 1660 CE LYS A2113 -2.601 -5.604 -15.815 1.00 60.31 C ATOM 1661 NZ LYS A2113 -1.656 -6.203 -16.782 1.00 44.31 N ATOM 0 H LYS A2113 -3.803 -6.321 -9.918 1.00 55.44 H new ATOM 0 HA LYS A2113 -4.622 -7.346 -12.357 1.00 54.34 H new ATOM 0 HB2 LYS A2113 -2.438 -5.859 -11.304 1.00 43.02 H new ATOM 0 HB3 LYS A2113 -1.787 -7.122 -12.330 1.00 43.02 H new ATOM 0 HG2 LYS A2113 -4.177 -5.533 -13.294 1.00 45.33 H new ATOM 0 HG3 LYS A2113 -2.584 -4.807 -13.377 1.00 45.33 H new ATOM 0 HD2 LYS A2113 -1.935 -7.166 -14.483 1.00 1.34 H new ATOM 0 HD3 LYS A2113 -3.650 -7.220 -14.842 1.00 1.34 H new ATOM 0 HE2 LYS A2113 -3.553 -5.400 -16.306 1.00 60.31 H new ATOM 0 HE3 LYS A2113 -2.213 -4.648 -15.462 1.00 60.31 H new ATOM 0 HZ1 LYS A2113 -1.518 -5.552 -17.581 1.00 44.31 H new ATOM 0 HZ2 LYS A2113 -0.743 -6.375 -16.314 1.00 44.31 H new ATOM 0 HZ3 LYS A2113 -2.041 -7.104 -17.132 1.00 44.31 H new ATOM 1674 N GLN A2114 -3.256 -9.458 -12.940 1.00 41.35 N ATOM 1675 CA GLN A2114 -2.892 -10.848 -13.154 1.00 11.22 C ATOM 1676 C GLN A2114 -3.966 -11.772 -12.577 1.00 61.43 C ATOM 1677 O GLN A2114 -4.793 -12.303 -13.317 1.00 23.43 O ATOM 1678 CB GLN A2114 -1.521 -11.155 -12.545 1.00 40.24 C ATOM 1679 CG GLN A2114 -0.764 -12.182 -13.389 1.00 75.43 C ATOM 1680 CD GLN A2114 0.734 -11.872 -13.415 1.00 72.42 C ATOM 1681 OE1 GLN A2114 1.226 -11.127 -14.244 1.00 21.04 O ATOM 1682 NE2 GLN A2114 1.430 -12.486 -12.461 1.00 44.01 N ATOM 0 H GLN A2114 -3.369 -8.911 -13.794 1.00 41.35 H new ATOM 0 HA GLN A2114 -2.825 -11.025 -14.227 1.00 11.22 H new ATOM 0 HB2 GLN A2114 -0.937 -10.237 -12.473 1.00 40.24 H new ATOM 0 HB3 GLN A2114 -1.646 -11.534 -11.531 1.00 40.24 H new ATOM 0 HG2 GLN A2114 -0.925 -13.181 -12.984 1.00 75.43 H new ATOM 0 HG3 GLN A2114 -1.157 -12.183 -14.406 1.00 75.43 H new ATOM 0 HE21 GLN A2114 0.955 -13.098 -11.797 1.00 44.01 H new ATOM 0 HE22 GLN A2114 2.438 -12.344 -12.394 1.00 44.01 H new TER 1691 GLN A2114