USER MOD reduce.3.24.130724 H: found=0, std=0, add=1123, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1117 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.26 (180deg=1.06) USER MOD Single : A 8 SER OG : rot 170:sc= -0.79 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 49:sc= -1.86! USER MOD Single : A 29 THR OG1 : rot -75:sc= 0.926 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.838 K(o=-0.84,f=-4.5!) USER MOD Single : A 49 GLN : amide:sc= -0.532 K(o=-0.53,f=-4.5!) USER MOD Single : A 54 HIS : no HD1:sc=-0.000467 X(o=-0.00047,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.466 F(o=-2.1!,f=-0.47) USER MOD Single : A 72 THR OG1 : rot 180:sc=0.000713 USER MOD Single : A 73 ASN : amide:sc= -0.0526 K(o=-0.053,f=-2.2!) USER MOD Single : A 74 SER OG : rot -38:sc= 0.0314 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc=-0.00833 (180deg=-0.128) USER MOD Single : A 80 SER OG : rot 170:sc= 0 USER MOD Single : A 86 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 89 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.0077) USER MOD Single : A 93 TYR OH : rot 82:sc= 0.0873 USER MOD Single : A 96 THR OG1 : rot 10:sc= 1.37 USER MOD Single : A 99 MET CE :methyl -177:sc= -0.608 (180deg=-0.622) USER MOD Single : A 104 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 104:sc= 1.31 USER MOD Single : A 116 SER OG : rot -170:sc= -0.103 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -1.34 F(o=-2.8!,f=-1.3) USER MOD Single : A 130 HIS : no HE2:sc= 0.551 K(o=0.55,f=-1.9!) USER MOD Single : A 132 HIS : no HE2:sc= -0.036 X(o=-0.036,f=-0.45) USER MOD Single : A 133 GLN : amide:sc= -1.78! C(o=-1.8!,f=-2.5!) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 144 MET CE :methyl -141:sc= -0.707 (180deg=-2.9!) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.878 -13.109 -16.687 1.00 0.00 N ATOM 2 CA MET A 1 -16.420 -11.746 -16.700 1.00 52.33 C ATOM 3 C MET A 1 -16.509 -11.214 -15.279 1.00 20.11 C ATOM 4 O MET A 1 -17.160 -11.832 -14.433 1.00 42.55 O ATOM 5 CB MET A 1 -17.815 -11.696 -17.364 1.00 22.25 C ATOM 6 CG MET A 1 -17.837 -11.915 -18.881 1.00 52.13 C ATOM 7 SD MET A 1 -17.151 -13.499 -19.405 1.00 3.53 S ATOM 8 CE MET A 1 -17.307 -13.348 -21.185 1.00 3.43 C ATOM 0 H1 MET A 1 -16.290 -13.654 -17.471 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.844 -13.073 -16.796 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.115 -13.568 -15.784 1.00 0.00 H new ATOM 0 HA MET A 1 -15.745 -11.122 -17.286 1.00 52.33 H new ATOM 0 HB2 MET A 1 -18.447 -12.452 -16.897 1.00 22.25 H new ATOM 0 HB3 MET A 1 -18.265 -10.727 -17.149 1.00 22.25 H new ATOM 0 HG2 MET A 1 -18.866 -11.842 -19.233 1.00 52.13 H new ATOM 0 HG3 MET A 1 -17.278 -11.112 -19.362 1.00 52.13 H new ATOM 0 HE1 MET A 1 -16.925 -14.251 -21.662 1.00 3.43 H new ATOM 0 HE2 MET A 1 -18.356 -13.215 -21.448 1.00 3.43 H new ATOM 0 HE3 MET A 1 -16.735 -12.486 -21.529 1.00 3.43 H new ATOM 18 N PRO A 2 -15.838 -10.085 -14.971 1.00 23.05 N ATOM 19 CA PRO A 2 -15.888 -9.483 -13.644 1.00 12.10 C ATOM 20 C PRO A 2 -17.179 -8.687 -13.433 1.00 22.11 C ATOM 21 O PRO A 2 -17.505 -7.789 -14.227 1.00 54.41 O ATOM 22 CB PRO A 2 -14.679 -8.533 -13.611 1.00 34.00 C ATOM 23 CG PRO A 2 -14.018 -8.624 -14.950 1.00 73.54 C ATOM 24 CD PRO A 2 -14.976 -9.313 -15.879 1.00 41.15 C ATOM 0 HA PRO A 2 -15.864 -10.240 -12.860 1.00 12.10 H new ATOM 0 HB2 PRO A 2 -14.997 -7.511 -13.406 1.00 34.00 H new ATOM 0 HB3 PRO A 2 -13.987 -8.817 -12.818 1.00 34.00 H new ATOM 0 HG2 PRO A 2 -13.769 -7.631 -15.323 1.00 73.54 H new ATOM 0 HG3 PRO A 2 -13.084 -9.181 -14.880 1.00 73.54 H new ATOM 0 HD2 PRO A 2 -15.551 -8.597 -16.466 1.00 41.15 H new ATOM 0 HD3 PRO A 2 -14.455 -9.960 -16.585 1.00 41.15 H new ATOM 32 N GLY A 3 -17.897 -9.000 -12.376 1.00 10.35 N ATOM 33 CA GLY A 3 -19.152 -8.331 -12.102 1.00 71.33 C ATOM 34 C GLY A 3 -19.035 -7.244 -11.053 1.00 11.22 C ATOM 35 O GLY A 3 -20.045 -6.728 -10.575 1.00 72.23 O ATOM 0 H GLY A 3 -17.635 -9.711 -11.694 1.00 10.35 H new ATOM 0 HA2 GLY A 3 -19.533 -7.895 -13.026 1.00 71.33 H new ATOM 0 HA3 GLY A 3 -19.884 -9.068 -11.772 1.00 71.33 H new ATOM 39 N ARG A 4 -17.813 -6.932 -10.640 1.00 71.31 N ATOM 40 CA ARG A 4 -17.618 -5.851 -9.682 1.00 34.53 C ATOM 41 C ARG A 4 -17.795 -4.518 -10.383 1.00 73.33 C ATOM 42 O ARG A 4 -17.230 -4.316 -11.466 1.00 54.04 O ATOM 43 CB ARG A 4 -16.244 -5.870 -8.970 1.00 1.51 C ATOM 44 CG ARG A 4 -15.917 -7.121 -8.155 1.00 32.50 C ATOM 45 CD ARG A 4 -15.425 -8.257 -9.033 1.00 24.44 C ATOM 46 NE ARG A 4 -14.181 -7.892 -9.736 1.00 12.54 N ATOM 47 CZ ARG A 4 -13.381 -8.734 -10.407 1.00 55.12 C ATOM 48 NH1 ARG A 4 -13.721 -10.008 -10.549 1.00 43.20 N ATOM 49 NH2 ARG A 4 -12.263 -8.284 -10.955 1.00 4.23 N ATOM 0 H ARG A 4 -16.959 -7.400 -10.945 1.00 71.31 H new ATOM 0 HA ARG A 4 -18.368 -5.998 -8.905 1.00 34.53 H new ATOM 0 HB2 ARG A 4 -15.467 -5.741 -9.724 1.00 1.51 H new ATOM 0 HB3 ARG A 4 -16.191 -5.007 -8.307 1.00 1.51 H new ATOM 0 HG2 ARG A 4 -15.157 -6.881 -7.412 1.00 32.50 H new ATOM 0 HG3 ARG A 4 -16.805 -7.442 -7.610 1.00 32.50 H new ATOM 0 HD2 ARG A 4 -15.253 -9.143 -8.422 1.00 24.44 H new ATOM 0 HD3 ARG A 4 -16.194 -8.516 -9.761 1.00 24.44 H new ATOM 0 HE ARG A 4 -13.904 -6.911 -9.710 1.00 12.54 H new ATOM 0 HH11 ARG A 4 -14.594 -10.351 -10.147 1.00 43.20 H new ATOM 0 HH12 ARG A 4 -13.110 -10.645 -11.060 1.00 43.20 H new ATOM 0 HH21 ARG A 4 -12.012 -7.299 -10.866 1.00 4.23 H new ATOM 0 HH22 ARG A 4 -11.653 -8.922 -11.466 1.00 4.23 H new ATOM 63 N ALA A 5 -18.557 -3.633 -9.763 1.00 52.35 N ATOM 64 CA ALA A 5 -18.822 -2.277 -10.249 1.00 23.24 C ATOM 65 C ALA A 5 -19.577 -2.281 -11.580 1.00 2.33 C ATOM 66 O ALA A 5 -18.986 -2.452 -12.646 1.00 3.23 O ATOM 67 CB ALA A 5 -17.546 -1.428 -10.328 1.00 11.42 C ATOM 0 H ALA A 5 -19.025 -3.838 -8.880 1.00 52.35 H new ATOM 0 HA ALA A 5 -19.472 -1.807 -9.511 1.00 23.24 H new ATOM 0 HB1 ALA A 5 -17.794 -0.432 -10.694 1.00 11.42 H new ATOM 0 HB2 ALA A 5 -17.099 -1.350 -9.337 1.00 11.42 H new ATOM 0 HB3 ALA A 5 -16.838 -1.899 -11.010 1.00 11.42 H new ATOM 73 N PRO A 6 -20.901 -2.102 -11.536 1.00 1.15 N ATOM 74 CA PRO A 6 -21.752 -2.077 -12.736 1.00 20.24 C ATOM 75 C PRO A 6 -21.827 -0.672 -13.353 1.00 72.42 C ATOM 76 O PRO A 6 -22.780 -0.335 -14.069 1.00 32.44 O ATOM 77 CB PRO A 6 -23.113 -2.470 -12.168 1.00 4.40 C ATOM 78 CG PRO A 6 -23.129 -1.889 -10.795 1.00 65.52 C ATOM 79 CD PRO A 6 -21.706 -1.936 -10.298 1.00 45.13 C ATOM 0 HA PRO A 6 -21.385 -2.725 -13.532 1.00 20.24 H new ATOM 0 HB2 PRO A 6 -23.926 -2.073 -12.776 1.00 4.40 H new ATOM 0 HB3 PRO A 6 -23.234 -3.553 -12.142 1.00 4.40 H new ATOM 0 HG2 PRO A 6 -23.502 -0.865 -10.811 1.00 65.52 H new ATOM 0 HG3 PRO A 6 -23.789 -2.458 -10.140 1.00 65.52 H new ATOM 0 HD2 PRO A 6 -21.438 -1.023 -9.766 1.00 45.13 H new ATOM 0 HD3 PRO A 6 -21.551 -2.764 -9.607 1.00 45.13 H new ATOM 87 N GLY A 7 -20.806 0.116 -13.110 1.00 13.14 N ATOM 88 CA GLY A 7 -20.811 1.483 -13.544 1.00 54.23 C ATOM 89 C GLY A 7 -21.629 2.301 -12.594 1.00 24.25 C ATOM 90 O GLY A 7 -22.739 2.723 -12.913 1.00 60.12 O ATOM 0 H GLY A 7 -19.963 -0.171 -12.613 1.00 13.14 H new ATOM 0 HA2 GLY A 7 -19.792 1.866 -13.587 1.00 54.23 H new ATOM 0 HA3 GLY A 7 -21.222 1.555 -14.551 1.00 54.23 H new ATOM 94 N SER A 8 -21.107 2.479 -11.416 1.00 42.33 N ATOM 95 CA SER A 8 -21.784 3.178 -10.377 1.00 65.24 C ATOM 96 C SER A 8 -20.790 4.050 -9.613 1.00 23.14 C ATOM 97 O SER A 8 -19.575 3.768 -9.607 1.00 2.31 O ATOM 98 CB SER A 8 -22.455 2.149 -9.461 1.00 4.51 C ATOM 99 OG SER A 8 -21.529 1.136 -9.060 1.00 63.45 O ATOM 0 H SER A 8 -20.184 2.135 -11.151 1.00 42.33 H new ATOM 0 HA SER A 8 -22.550 3.836 -10.787 1.00 65.24 H new ATOM 0 HB2 SER A 8 -22.856 2.649 -8.579 1.00 4.51 H new ATOM 0 HB3 SER A 8 -23.298 1.691 -9.979 1.00 4.51 H new ATOM 0 HG SER A 8 -21.930 0.587 -8.354 1.00 63.45 H new ATOM 105 N THR A 9 -21.273 5.103 -9.004 1.00 65.51 N ATOM 106 CA THR A 9 -20.423 5.986 -8.249 1.00 65.14 C ATOM 107 C THR A 9 -20.739 5.842 -6.761 1.00 73.45 C ATOM 108 O THR A 9 -21.897 5.620 -6.381 1.00 72.42 O ATOM 109 CB THR A 9 -20.636 7.445 -8.689 1.00 63.31 C ATOM 110 OG1 THR A 9 -20.615 7.495 -10.130 1.00 34.10 O ATOM 111 CG2 THR A 9 -19.519 8.336 -8.151 1.00 32.40 C ATOM 0 H THR A 9 -22.257 5.370 -9.017 1.00 65.51 H new ATOM 0 HA THR A 9 -19.382 5.718 -8.431 1.00 65.14 H new ATOM 0 HB THR A 9 -21.590 7.801 -8.300 1.00 63.31 H new ATOM 0 HG1 THR A 9 -20.751 8.419 -10.427 1.00 34.10 H new ATOM 0 HG21 THR A 9 -19.687 9.364 -8.472 1.00 32.40 H new ATOM 0 HG22 THR A 9 -19.512 8.293 -7.062 1.00 32.40 H new ATOM 0 HG23 THR A 9 -18.560 7.988 -8.534 1.00 32.40 H new ATOM 119 N LEU A 10 -19.738 5.944 -5.931 1.00 12.10 N ATOM 120 CA LEU A 10 -19.922 5.790 -4.512 1.00 34.11 C ATOM 121 C LEU A 10 -19.877 7.149 -3.816 1.00 4.11 C ATOM 122 O LEU A 10 -19.708 8.199 -4.466 1.00 35.42 O ATOM 123 CB LEU A 10 -18.825 4.883 -3.946 1.00 24.32 C ATOM 124 CG LEU A 10 -18.741 3.457 -4.514 1.00 63.41 C ATOM 125 CD1 LEU A 10 -17.604 2.692 -3.854 1.00 4.34 C ATOM 126 CD2 LEU A 10 -20.053 2.713 -4.328 1.00 24.11 C ATOM 0 H LEU A 10 -18.777 6.135 -6.215 1.00 12.10 H new ATOM 0 HA LEU A 10 -20.898 5.338 -4.332 1.00 34.11 H new ATOM 0 HB2 LEU A 10 -17.864 5.370 -4.109 1.00 24.32 H new ATOM 0 HB3 LEU A 10 -18.967 4.811 -2.868 1.00 24.32 H new ATOM 0 HG LEU A 10 -18.544 3.532 -5.583 1.00 63.41 H new ATOM 0 HD11 LEU A 10 -17.556 1.684 -4.266 1.00 4.34 H new ATOM 0 HD12 LEU A 10 -16.662 3.206 -4.043 1.00 4.34 H new ATOM 0 HD13 LEU A 10 -17.778 2.637 -2.779 1.00 4.34 H new ATOM 0 HD21 LEU A 10 -19.963 1.708 -4.740 1.00 24.11 H new ATOM 0 HD22 LEU A 10 -20.288 2.650 -3.266 1.00 24.11 H new ATOM 0 HD23 LEU A 10 -20.850 3.247 -4.845 1.00 24.11 H new ATOM 138 N ALA A 11 -20.063 7.122 -2.520 1.00 10.54 N ATOM 139 CA ALA A 11 -19.945 8.293 -1.681 1.00 50.53 C ATOM 140 C ALA A 11 -18.657 8.148 -0.872 1.00 35.34 C ATOM 141 O ALA A 11 -17.889 7.199 -1.119 1.00 1.52 O ATOM 142 CB ALA A 11 -21.156 8.405 -0.774 1.00 54.22 C ATOM 0 H ALA A 11 -20.305 6.273 -2.008 1.00 10.54 H new ATOM 0 HA ALA A 11 -19.905 9.203 -2.280 1.00 50.53 H new ATOM 0 HB1 ALA A 11 -21.059 9.290 -0.145 1.00 54.22 H new ATOM 0 HB2 ALA A 11 -22.058 8.488 -1.380 1.00 54.22 H new ATOM 0 HB3 ALA A 11 -21.222 7.518 -0.144 1.00 54.22 H new ATOM 148 N ARG A 12 -18.394 9.030 0.077 1.00 22.35 N ATOM 149 CA ARG A 12 -17.149 8.931 0.824 1.00 63.14 C ATOM 150 C ARG A 12 -17.280 9.235 2.306 1.00 44.21 C ATOM 151 O ARG A 12 -17.587 10.362 2.713 1.00 1.35 O ATOM 152 CB ARG A 12 -15.969 9.709 0.187 1.00 74.15 C ATOM 153 CG ARG A 12 -16.119 11.222 0.002 1.00 33.12 C ATOM 154 CD ARG A 12 -17.107 11.562 -1.087 1.00 3.21 C ATOM 155 NE ARG A 12 -16.753 10.919 -2.357 1.00 43.43 N ATOM 156 CZ ARG A 12 -17.583 10.762 -3.391 1.00 44.44 C ATOM 157 NH1 ARG A 12 -18.843 11.200 -3.312 1.00 61.43 N ATOM 158 NH2 ARG A 12 -17.160 10.155 -4.494 1.00 74.55 N ATOM 0 H ARG A 12 -19.005 9.802 0.344 1.00 22.35 H new ATOM 0 HA ARG A 12 -16.901 7.872 0.753 1.00 63.14 H new ATOM 0 HB2 ARG A 12 -15.085 9.534 0.800 1.00 74.15 H new ATOM 0 HB3 ARG A 12 -15.771 9.271 -0.791 1.00 74.15 H new ATOM 0 HG2 ARG A 12 -16.444 11.672 0.940 1.00 33.12 H new ATOM 0 HG3 ARG A 12 -15.149 11.656 -0.240 1.00 33.12 H new ATOM 0 HD2 ARG A 12 -18.106 11.246 -0.785 1.00 3.21 H new ATOM 0 HD3 ARG A 12 -17.142 12.643 -1.223 1.00 3.21 H new ATOM 0 HE ARG A 12 -15.802 10.565 -2.458 1.00 43.43 H new ATOM 0 HH11 ARG A 12 -19.172 11.655 -2.461 1.00 61.43 H new ATOM 0 HH12 ARG A 12 -19.475 11.079 -4.103 1.00 61.43 H new ATOM 0 HH21 ARG A 12 -16.202 9.809 -4.550 1.00 74.55 H new ATOM 0 HH22 ARG A 12 -17.793 10.034 -5.285 1.00 74.55 H new ATOM 172 N VAL A 13 -17.049 8.223 3.094 1.00 23.50 N ATOM 173 CA VAL A 13 -17.065 8.301 4.532 1.00 61.02 C ATOM 174 C VAL A 13 -15.948 7.399 5.090 1.00 33.54 C ATOM 175 O VAL A 13 -16.024 6.163 5.019 1.00 44.32 O ATOM 176 CB VAL A 13 -18.482 7.954 5.127 1.00 40.25 C ATOM 177 CG1 VAL A 13 -19.004 6.598 4.652 1.00 64.21 C ATOM 178 CG2 VAL A 13 -18.472 8.026 6.648 1.00 72.31 C ATOM 0 H VAL A 13 -16.837 7.289 2.744 1.00 23.50 H new ATOM 0 HA VAL A 13 -16.870 9.328 4.841 1.00 61.02 H new ATOM 0 HB VAL A 13 -19.170 8.710 4.748 1.00 40.25 H new ATOM 0 HG11 VAL A 13 -19.983 6.410 5.093 1.00 64.21 H new ATOM 0 HG12 VAL A 13 -19.090 6.601 3.565 1.00 64.21 H new ATOM 0 HG13 VAL A 13 -18.312 5.814 4.959 1.00 64.21 H new ATOM 0 HG21 VAL A 13 -19.463 7.782 7.030 1.00 72.31 H new ATOM 0 HG22 VAL A 13 -17.746 7.314 7.041 1.00 72.31 H new ATOM 0 HG23 VAL A 13 -18.200 9.033 6.963 1.00 72.31 H new ATOM 188 N GLY A 14 -14.881 8.031 5.573 1.00 1.23 N ATOM 189 CA GLY A 14 -13.706 7.298 6.035 1.00 53.24 C ATOM 190 C GLY A 14 -13.025 6.636 4.855 1.00 21.23 C ATOM 191 O GLY A 14 -12.518 5.528 4.942 1.00 21.30 O ATOM 0 H GLY A 14 -14.806 9.045 5.654 1.00 1.23 H new ATOM 0 HA2 GLY A 14 -13.014 7.977 6.534 1.00 53.24 H new ATOM 0 HA3 GLY A 14 -13.999 6.546 6.768 1.00 53.24 H new ATOM 195 N SER A 15 -13.025 7.328 3.759 1.00 2.11 N ATOM 196 CA SER A 15 -12.586 6.785 2.521 1.00 14.01 C ATOM 197 C SER A 15 -11.109 7.028 2.255 1.00 22.01 C ATOM 198 O SER A 15 -10.707 8.148 1.884 1.00 2.44 O ATOM 199 CB SER A 15 -13.414 7.411 1.424 1.00 70.31 C ATOM 200 OG SER A 15 -13.347 8.831 1.542 1.00 74.35 O ATOM 0 H SER A 15 -13.335 8.298 3.703 1.00 2.11 H new ATOM 0 HA SER A 15 -12.715 5.703 2.555 1.00 14.01 H new ATOM 0 HB2 SER A 15 -13.044 7.097 0.448 1.00 70.31 H new ATOM 0 HB3 SER A 15 -14.449 7.076 1.496 1.00 70.31 H new ATOM 0 HG SER A 15 -12.412 9.107 1.639 1.00 74.35 H new ATOM 206 N ILE A 16 -10.311 6.025 2.476 1.00 4.42 N ATOM 207 CA ILE A 16 -8.933 6.072 2.068 1.00 75.13 C ATOM 208 C ILE A 16 -8.923 5.857 0.552 1.00 0.50 C ATOM 209 O ILE A 16 -9.487 4.876 0.062 1.00 52.32 O ATOM 210 CB ILE A 16 -8.023 5.011 2.813 1.00 63.14 C ATOM 211 CG1 ILE A 16 -7.724 5.424 4.280 1.00 34.12 C ATOM 212 CG2 ILE A 16 -6.705 4.774 2.071 1.00 65.22 C ATOM 213 CD1 ILE A 16 -8.922 5.528 5.201 1.00 71.51 C ATOM 0 H ILE A 16 -10.590 5.160 2.938 1.00 4.42 H new ATOM 0 HA ILE A 16 -8.502 7.036 2.338 1.00 75.13 H new ATOM 0 HB ILE A 16 -8.593 4.082 2.825 1.00 63.14 H new ATOM 0 HG12 ILE A 16 -7.027 4.702 4.704 1.00 34.12 H new ATOM 0 HG13 ILE A 16 -7.216 6.388 4.268 1.00 34.12 H new ATOM 0 HG21 ILE A 16 -6.109 4.040 2.613 1.00 65.22 H new ATOM 0 HG22 ILE A 16 -6.914 4.402 1.068 1.00 65.22 H new ATOM 0 HG23 ILE A 16 -6.152 5.711 2.002 1.00 65.22 H new ATOM 0 HD11 ILE A 16 -8.591 5.823 6.197 1.00 71.51 H new ATOM 0 HD12 ILE A 16 -9.615 6.275 4.813 1.00 71.51 H new ATOM 0 HD13 ILE A 16 -9.423 4.562 5.257 1.00 71.51 H new ATOM 225 N PRO A 17 -8.374 6.809 -0.205 1.00 20.32 N ATOM 226 CA PRO A 17 -8.376 6.746 -1.661 1.00 23.21 C ATOM 227 C PRO A 17 -7.379 5.742 -2.228 1.00 10.00 C ATOM 228 O PRO A 17 -6.502 5.245 -1.524 1.00 11.23 O ATOM 229 CB PRO A 17 -7.983 8.168 -2.075 1.00 73.03 C ATOM 230 CG PRO A 17 -7.143 8.663 -0.950 1.00 42.14 C ATOM 231 CD PRO A 17 -7.704 8.031 0.294 1.00 72.43 C ATOM 0 HA PRO A 17 -9.343 6.415 -2.039 1.00 23.21 H new ATOM 0 HB2 PRO A 17 -7.430 8.170 -3.014 1.00 73.03 H new ATOM 0 HB3 PRO A 17 -8.862 8.796 -2.221 1.00 73.03 H new ATOM 0 HG2 PRO A 17 -6.098 8.386 -1.092 1.00 42.14 H new ATOM 0 HG3 PRO A 17 -7.178 9.751 -0.885 1.00 42.14 H new ATOM 0 HD2 PRO A 17 -6.919 7.793 1.011 1.00 72.43 H new ATOM 0 HD3 PRO A 17 -8.406 8.695 0.799 1.00 72.43 H new ATOM 239 N ALA A 18 -7.561 5.438 -3.486 1.00 64.03 N ATOM 240 CA ALA A 18 -6.666 4.602 -4.231 1.00 73.13 C ATOM 241 C ALA A 18 -6.361 5.347 -5.509 1.00 33.21 C ATOM 242 O ALA A 18 -7.297 5.732 -6.236 1.00 34.32 O ATOM 243 CB ALA A 18 -7.345 3.273 -4.538 1.00 32.25 C ATOM 0 H ALA A 18 -8.355 5.774 -4.031 1.00 64.03 H new ATOM 0 HA ALA A 18 -5.753 4.387 -3.676 1.00 73.13 H new ATOM 0 HB1 ALA A 18 -6.663 2.638 -5.104 1.00 32.25 H new ATOM 0 HB2 ALA A 18 -7.612 2.777 -3.605 1.00 32.25 H new ATOM 0 HB3 ALA A 18 -8.246 3.452 -5.125 1.00 32.25 H new ATOM 249 N GLY A 19 -5.105 5.585 -5.786 1.00 31.02 N ATOM 250 CA GLY A 19 -4.768 6.366 -6.935 1.00 53.34 C ATOM 251 C GLY A 19 -3.778 5.728 -7.876 1.00 24.14 C ATOM 252 O GLY A 19 -4.148 4.887 -8.708 1.00 2.14 O ATOM 0 H GLY A 19 -4.312 5.252 -5.237 1.00 31.02 H new ATOM 0 HA2 GLY A 19 -5.682 6.584 -7.487 1.00 53.34 H new ATOM 0 HA3 GLY A 19 -4.363 7.321 -6.600 1.00 53.34 H new ATOM 256 N ASP A 20 -2.520 6.090 -7.728 1.00 1.13 N ATOM 257 CA ASP A 20 -1.487 5.729 -8.698 1.00 22.43 C ATOM 258 C ASP A 20 -0.699 4.522 -8.268 1.00 14.13 C ATOM 259 O ASP A 20 -0.084 4.509 -7.200 1.00 41.33 O ATOM 260 CB ASP A 20 -0.570 6.939 -8.957 1.00 42.53 C ATOM 261 CG ASP A 20 0.644 6.671 -9.840 1.00 4.14 C ATOM 262 OD1 ASP A 20 0.500 6.048 -10.907 1.00 3.00 O ATOM 263 OD2 ASP A 20 1.750 7.173 -9.523 1.00 21.11 O ATOM 0 H ASP A 20 -2.179 6.640 -6.939 1.00 1.13 H new ATOM 0 HA ASP A 20 -1.980 5.454 -9.631 1.00 22.43 H new ATOM 0 HB2 ASP A 20 -1.163 7.729 -9.417 1.00 42.53 H new ATOM 0 HB3 ASP A 20 -0.221 7.319 -7.997 1.00 42.53 H new ATOM 268 N ASP A 21 -0.754 3.501 -9.092 1.00 52.15 N ATOM 269 CA ASP A 21 -0.010 2.272 -8.864 1.00 54.25 C ATOM 270 C ASP A 21 1.496 2.531 -8.972 1.00 4.00 C ATOM 271 O ASP A 21 2.018 2.855 -10.036 1.00 51.23 O ATOM 272 CB ASP A 21 -0.466 1.126 -9.823 1.00 50.10 C ATOM 273 CG ASP A 21 -0.271 1.414 -11.314 1.00 1.31 C ATOM 274 OD1 ASP A 21 -1.114 2.115 -11.924 1.00 1.43 O ATOM 275 OD2 ASP A 21 0.698 0.928 -11.913 1.00 51.02 O ATOM 0 H ASP A 21 -1.316 3.494 -9.943 1.00 52.15 H new ATOM 0 HA ASP A 21 -0.227 1.934 -7.851 1.00 54.25 H new ATOM 0 HB2 ASP A 21 0.083 0.220 -9.569 1.00 50.10 H new ATOM 0 HB3 ASP A 21 -1.521 0.920 -9.643 1.00 50.10 H new ATOM 280 N VAL A 22 2.173 2.468 -7.844 1.00 65.23 N ATOM 281 CA VAL A 22 3.615 2.699 -7.810 1.00 43.24 C ATOM 282 C VAL A 22 4.361 1.433 -8.228 1.00 11.43 C ATOM 283 O VAL A 22 5.429 1.491 -8.868 1.00 2.23 O ATOM 284 CB VAL A 22 4.087 3.172 -6.407 1.00 72.33 C ATOM 285 CG1 VAL A 22 5.589 3.450 -6.385 1.00 72.32 C ATOM 286 CG2 VAL A 22 3.316 4.412 -5.985 1.00 75.04 C ATOM 0 H VAL A 22 1.755 2.260 -6.937 1.00 65.23 H new ATOM 0 HA VAL A 22 3.843 3.496 -8.518 1.00 43.24 H new ATOM 0 HB VAL A 22 3.887 2.368 -5.699 1.00 72.33 H new ATOM 0 HG11 VAL A 22 5.884 3.779 -5.388 1.00 72.32 H new ATOM 0 HG12 VAL A 22 6.131 2.540 -6.642 1.00 72.32 H new ATOM 0 HG13 VAL A 22 5.825 4.230 -7.109 1.00 72.32 H new ATOM 0 HG21 VAL A 22 3.655 4.734 -5.001 1.00 75.04 H new ATOM 0 HG22 VAL A 22 3.488 5.210 -6.707 1.00 75.04 H new ATOM 0 HG23 VAL A 22 2.251 4.182 -5.944 1.00 75.04 H new ATOM 296 N LEU A 23 3.798 0.292 -7.888 1.00 11.30 N ATOM 297 CA LEU A 23 4.368 -0.968 -8.302 1.00 23.34 C ATOM 298 C LEU A 23 4.016 -1.249 -9.739 1.00 41.32 C ATOM 299 O LEU A 23 3.246 -0.510 -10.348 1.00 5.22 O ATOM 300 CB LEU A 23 3.948 -2.150 -7.378 1.00 75.55 C ATOM 301 CG LEU A 23 2.444 -2.334 -6.991 1.00 61.13 C ATOM 302 CD1 LEU A 23 1.515 -2.476 -8.195 1.00 44.21 C ATOM 303 CD2 LEU A 23 2.307 -3.557 -6.117 1.00 34.23 C ATOM 0 H LEU A 23 2.949 0.214 -7.328 1.00 11.30 H new ATOM 0 HA LEU A 23 5.451 -0.881 -8.212 1.00 23.34 H new ATOM 0 HB2 LEU A 23 4.276 -3.072 -7.859 1.00 75.55 H new ATOM 0 HB3 LEU A 23 4.514 -2.056 -6.451 1.00 75.55 H new ATOM 0 HG LEU A 23 2.141 -1.429 -6.465 1.00 61.13 H new ATOM 0 HD11 LEU A 23 0.489 -2.600 -7.850 1.00 44.21 H new ATOM 0 HD12 LEU A 23 1.584 -1.582 -8.815 1.00 44.21 H new ATOM 0 HD13 LEU A 23 1.809 -3.347 -8.780 1.00 44.21 H new ATOM 0 HD21 LEU A 23 1.261 -3.693 -5.842 1.00 34.23 H new ATOM 0 HD22 LEU A 23 2.656 -4.434 -6.662 1.00 34.23 H new ATOM 0 HD23 LEU A 23 2.905 -3.428 -5.215 1.00 34.23 H new ATOM 315 N ASP A 24 4.562 -2.284 -10.282 1.00 45.44 N ATOM 316 CA ASP A 24 4.205 -2.653 -11.618 1.00 72.41 C ATOM 317 C ASP A 24 3.039 -3.621 -11.541 1.00 10.02 C ATOM 318 O ASP A 24 3.089 -4.566 -10.761 1.00 12.13 O ATOM 319 CB ASP A 24 5.377 -3.287 -12.344 1.00 2.13 C ATOM 320 CG ASP A 24 5.063 -3.550 -13.791 1.00 32.24 C ATOM 321 OD1 ASP A 24 4.474 -4.606 -14.108 1.00 35.03 O ATOM 322 OD2 ASP A 24 5.414 -2.705 -14.648 1.00 40.22 O ATOM 0 H ASP A 24 5.250 -2.887 -9.831 1.00 45.44 H new ATOM 0 HA ASP A 24 3.923 -1.764 -12.182 1.00 72.41 H new ATOM 0 HB2 ASP A 24 6.245 -2.632 -12.274 1.00 2.13 H new ATOM 0 HB3 ASP A 24 5.644 -4.223 -11.854 1.00 2.13 H new ATOM 327 N PRO A 25 1.959 -3.380 -12.305 1.00 53.11 N ATOM 328 CA PRO A 25 0.747 -4.228 -12.294 1.00 64.03 C ATOM 329 C PRO A 25 1.001 -5.735 -12.516 1.00 13.44 C ATOM 330 O PRO A 25 0.170 -6.565 -12.132 1.00 22.53 O ATOM 331 CB PRO A 25 -0.079 -3.668 -13.445 1.00 50.25 C ATOM 332 CG PRO A 25 0.332 -2.248 -13.545 1.00 53.54 C ATOM 333 CD PRO A 25 1.795 -2.222 -13.215 1.00 62.21 C ATOM 0 HA PRO A 25 0.270 -4.190 -11.315 1.00 64.03 H new ATOM 0 HB2 PRO A 25 0.120 -4.204 -14.373 1.00 50.25 H new ATOM 0 HB3 PRO A 25 -1.147 -3.758 -13.247 1.00 50.25 H new ATOM 0 HG2 PRO A 25 0.150 -1.858 -14.546 1.00 53.54 H new ATOM 0 HG3 PRO A 25 -0.236 -1.627 -12.853 1.00 53.54 H new ATOM 0 HD2 PRO A 25 2.411 -2.322 -14.109 1.00 62.21 H new ATOM 0 HD3 PRO A 25 2.082 -1.288 -12.733 1.00 62.21 H new ATOM 341 N ASP A 26 2.130 -6.091 -13.122 1.00 33.11 N ATOM 342 CA ASP A 26 2.441 -7.502 -13.378 1.00 71.44 C ATOM 343 C ASP A 26 2.877 -8.195 -12.090 1.00 64.12 C ATOM 344 O ASP A 26 2.701 -9.417 -11.929 1.00 42.15 O ATOM 345 CB ASP A 26 3.540 -7.642 -14.440 1.00 61.12 C ATOM 346 CG ASP A 26 3.854 -9.087 -14.786 1.00 31.11 C ATOM 347 OD1 ASP A 26 4.693 -9.720 -14.098 1.00 0.20 O ATOM 348 OD2 ASP A 26 3.285 -9.611 -15.770 1.00 40.51 O ATOM 0 H ASP A 26 2.840 -5.433 -13.444 1.00 33.11 H new ATOM 0 HA ASP A 26 1.535 -7.979 -13.752 1.00 71.44 H new ATOM 0 HB2 ASP A 26 3.232 -7.117 -15.344 1.00 61.12 H new ATOM 0 HB3 ASP A 26 4.447 -7.155 -14.082 1.00 61.12 H new ATOM 353 N GLU A 27 3.377 -7.409 -11.159 1.00 44.14 N ATOM 354 CA GLU A 27 3.888 -7.908 -9.893 1.00 3.40 C ATOM 355 C GLU A 27 2.773 -8.478 -9.014 1.00 71.44 C ATOM 356 O GLU A 27 1.592 -8.148 -9.222 1.00 73.43 O ATOM 357 CB GLU A 27 4.655 -6.803 -9.158 1.00 33.22 C ATOM 358 CG GLU A 27 5.913 -6.371 -9.878 1.00 32.25 C ATOM 359 CD GLU A 27 6.861 -7.521 -10.094 1.00 52.51 C ATOM 360 OE1 GLU A 27 7.602 -7.887 -9.157 1.00 34.44 O ATOM 361 OE2 GLU A 27 6.885 -8.096 -11.202 1.00 61.43 O ATOM 0 H GLU A 27 3.442 -6.396 -11.258 1.00 44.14 H new ATOM 0 HA GLU A 27 4.574 -8.727 -10.110 1.00 3.40 H new ATOM 0 HB2 GLU A 27 4.002 -5.939 -9.031 1.00 33.22 H new ATOM 0 HB3 GLU A 27 4.918 -7.154 -8.160 1.00 33.22 H new ATOM 0 HG2 GLU A 27 5.648 -5.934 -10.841 1.00 32.25 H new ATOM 0 HG3 GLU A 27 6.412 -5.593 -9.301 1.00 32.25 H new ATOM 368 N PRO A 28 3.136 -9.385 -8.053 1.00 70.01 N ATOM 369 CA PRO A 28 2.195 -10.014 -7.119 1.00 32.11 C ATOM 370 C PRO A 28 1.173 -9.041 -6.532 1.00 61.55 C ATOM 371 O PRO A 28 1.490 -8.179 -5.686 1.00 40.12 O ATOM 372 CB PRO A 28 3.108 -10.563 -6.025 1.00 15.23 C ATOM 373 CG PRO A 28 4.355 -10.923 -6.740 1.00 74.45 C ATOM 374 CD PRO A 28 4.517 -9.898 -7.831 1.00 42.01 C ATOM 0 HA PRO A 28 1.585 -10.769 -7.615 1.00 32.11 H new ATOM 0 HB2 PRO A 28 3.294 -9.819 -5.250 1.00 15.23 H new ATOM 0 HB3 PRO A 28 2.665 -11.430 -5.535 1.00 15.23 H new ATOM 0 HG2 PRO A 28 5.210 -10.912 -6.064 1.00 74.45 H new ATOM 0 HG3 PRO A 28 4.290 -11.929 -7.156 1.00 74.45 H new ATOM 0 HD2 PRO A 28 5.196 -9.100 -7.531 1.00 42.01 H new ATOM 0 HD3 PRO A 28 4.928 -10.342 -8.738 1.00 42.01 H new ATOM 382 N THR A 29 -0.036 -9.175 -6.982 1.00 33.20 N ATOM 383 CA THR A 29 -1.110 -8.340 -6.570 1.00 2.33 C ATOM 384 C THR A 29 -2.345 -9.173 -6.272 1.00 73.23 C ATOM 385 O THR A 29 -2.403 -10.360 -6.610 1.00 33.43 O ATOM 386 CB THR A 29 -1.414 -7.272 -7.650 1.00 40.20 C ATOM 387 OG1 THR A 29 -1.222 -7.845 -8.958 1.00 11.31 O ATOM 388 CG2 THR A 29 -0.532 -6.039 -7.488 1.00 22.41 C ATOM 0 H THR A 29 -0.305 -9.886 -7.662 1.00 33.20 H new ATOM 0 HA THR A 29 -0.817 -7.824 -5.656 1.00 2.33 H new ATOM 0 HB THR A 29 -2.450 -6.954 -7.531 1.00 40.20 H new ATOM 0 HG1 THR A 29 -0.263 -7.933 -9.139 1.00 11.31 H new ATOM 0 HG21 THR A 29 -0.775 -5.313 -8.264 1.00 22.41 H new ATOM 0 HG22 THR A 29 -0.705 -5.594 -6.508 1.00 22.41 H new ATOM 0 HG23 THR A 29 0.516 -6.327 -7.576 1.00 22.41 H new ATOM 396 N TYR A 30 -3.259 -8.570 -5.595 1.00 61.13 N ATOM 397 CA TYR A 30 -4.533 -9.119 -5.240 1.00 25.41 C ATOM 398 C TYR A 30 -5.584 -8.149 -5.682 1.00 23.52 C ATOM 399 O TYR A 30 -5.292 -6.983 -5.904 1.00 11.23 O ATOM 400 CB TYR A 30 -4.651 -9.355 -3.733 1.00 10.33 C ATOM 401 CG TYR A 30 -3.798 -10.475 -3.189 1.00 64.22 C ATOM 402 CD1 TYR A 30 -3.793 -11.717 -3.795 1.00 2.14 C ATOM 403 CD2 TYR A 30 -3.038 -10.303 -2.054 1.00 22.23 C ATOM 404 CE1 TYR A 30 -3.059 -12.757 -3.293 1.00 3.15 C ATOM 405 CE2 TYR A 30 -2.289 -11.339 -1.536 1.00 10.55 C ATOM 406 CZ TYR A 30 -2.303 -12.567 -2.161 1.00 45.41 C ATOM 407 OH TYR A 30 -1.562 -13.605 -1.646 1.00 53.53 O ATOM 0 H TYR A 30 -3.134 -7.618 -5.250 1.00 61.13 H new ATOM 0 HA TYR A 30 -4.655 -10.086 -5.727 1.00 25.41 H new ATOM 0 HB2 TYR A 30 -4.386 -8.433 -3.215 1.00 10.33 H new ATOM 0 HB3 TYR A 30 -5.694 -9.565 -3.495 1.00 10.33 H new ATOM 0 HD1 TYR A 30 -4.383 -11.871 -4.687 1.00 2.14 H new ATOM 0 HD2 TYR A 30 -3.028 -9.342 -1.562 1.00 22.23 H new ATOM 0 HE1 TYR A 30 -3.074 -13.720 -3.782 1.00 3.15 H new ATOM 0 HE2 TYR A 30 -1.695 -11.189 -0.646 1.00 10.55 H new ATOM 0 HH TYR A 30 -1.086 -13.301 -0.845 1.00 53.53 H new ATOM 417 N ASP A 31 -6.765 -8.612 -5.802 1.00 41.21 N ATOM 418 CA ASP A 31 -7.887 -7.815 -6.248 1.00 72.04 C ATOM 419 C ASP A 31 -9.044 -8.108 -5.336 1.00 64.22 C ATOM 420 O ASP A 31 -8.933 -8.998 -4.492 1.00 45.02 O ATOM 421 CB ASP A 31 -8.258 -8.136 -7.714 1.00 75.44 C ATOM 422 CG ASP A 31 -8.533 -9.609 -7.962 1.00 21.10 C ATOM 423 OD1 ASP A 31 -9.646 -10.078 -7.722 1.00 31.24 O ATOM 424 OD2 ASP A 31 -7.627 -10.324 -8.414 1.00 24.44 O ATOM 0 H ASP A 31 -7.008 -9.580 -5.592 1.00 41.21 H new ATOM 0 HA ASP A 31 -7.627 -6.757 -6.212 1.00 72.04 H new ATOM 0 HB2 ASP A 31 -9.140 -7.558 -7.992 1.00 75.44 H new ATOM 0 HB3 ASP A 31 -7.446 -7.812 -8.365 1.00 75.44 H new ATOM 429 N LEU A 32 -10.119 -7.359 -5.482 1.00 50.22 N ATOM 430 CA LEU A 32 -11.276 -7.412 -4.574 1.00 12.41 C ATOM 431 C LEU A 32 -11.762 -8.855 -4.222 1.00 71.15 C ATOM 432 O LEU A 32 -11.651 -9.257 -3.055 1.00 75.14 O ATOM 433 CB LEU A 32 -12.417 -6.500 -5.071 1.00 2.14 C ATOM 434 CG LEU A 32 -12.084 -5.005 -5.205 1.00 34.23 C ATOM 435 CD1 LEU A 32 -13.278 -4.240 -5.754 1.00 34.43 C ATOM 436 CD2 LEU A 32 -11.648 -4.418 -3.864 1.00 40.50 C ATOM 0 H LEU A 32 -10.227 -6.685 -6.240 1.00 50.22 H new ATOM 0 HA LEU A 32 -10.923 -7.017 -3.621 1.00 12.41 H new ATOM 0 HB2 LEU A 32 -12.748 -6.865 -6.043 1.00 2.14 H new ATOM 0 HB3 LEU A 32 -13.260 -6.603 -4.388 1.00 2.14 H new ATOM 0 HG LEU A 32 -11.254 -4.907 -5.905 1.00 34.23 H new ATOM 0 HD11 LEU A 32 -13.024 -3.184 -5.842 1.00 34.43 H new ATOM 0 HD12 LEU A 32 -13.542 -4.633 -6.736 1.00 34.43 H new ATOM 0 HD13 LEU A 32 -14.125 -4.354 -5.078 1.00 34.43 H new ATOM 0 HD21 LEU A 32 -11.418 -3.360 -3.987 1.00 40.50 H new ATOM 0 HD22 LEU A 32 -12.453 -4.532 -3.138 1.00 40.50 H new ATOM 0 HD23 LEU A 32 -10.761 -4.942 -3.508 1.00 40.50 H new ATOM 448 N PRO A 33 -12.266 -9.674 -5.200 1.00 4.43 N ATOM 449 CA PRO A 33 -12.714 -11.040 -4.903 1.00 21.02 C ATOM 450 C PRO A 33 -11.573 -11.943 -4.417 1.00 2.12 C ATOM 451 O PRO A 33 -11.804 -12.907 -3.679 1.00 21.12 O ATOM 452 CB PRO A 33 -13.277 -11.557 -6.230 1.00 1.51 C ATOM 453 CG PRO A 33 -12.682 -10.685 -7.268 1.00 73.05 C ATOM 454 CD PRO A 33 -12.462 -9.348 -6.630 1.00 44.22 C ATOM 0 HA PRO A 33 -13.446 -11.045 -4.095 1.00 21.02 H new ATOM 0 HB2 PRO A 33 -13.009 -12.601 -6.392 1.00 1.51 H new ATOM 0 HB3 PRO A 33 -14.365 -11.501 -6.245 1.00 1.51 H new ATOM 0 HG2 PRO A 33 -11.742 -11.101 -7.631 1.00 73.05 H new ATOM 0 HG3 PRO A 33 -13.345 -10.599 -8.129 1.00 73.05 H new ATOM 0 HD2 PRO A 33 -11.592 -8.842 -7.049 1.00 44.22 H new ATOM 0 HD3 PRO A 33 -13.317 -8.688 -6.777 1.00 44.22 H new ATOM 462 N ARG A 34 -10.351 -11.640 -4.838 1.00 30.24 N ATOM 463 CA ARG A 34 -9.187 -12.387 -4.434 1.00 22.41 C ATOM 464 C ARG A 34 -8.913 -12.173 -2.937 1.00 54.25 C ATOM 465 O ARG A 34 -8.734 -13.127 -2.194 1.00 64.02 O ATOM 466 CB ARG A 34 -8.014 -11.905 -5.251 1.00 13.03 C ATOM 467 CG ARG A 34 -6.758 -12.730 -5.185 1.00 35.20 C ATOM 468 CD ARG A 34 -6.970 -14.120 -5.728 1.00 65.52 C ATOM 469 NE ARG A 34 -5.682 -14.773 -5.996 1.00 30.04 N ATOM 470 CZ ARG A 34 -5.473 -16.086 -6.148 1.00 21.35 C ATOM 471 NH1 ARG A 34 -6.468 -16.958 -6.010 1.00 42.23 N ATOM 472 NH2 ARG A 34 -4.248 -16.524 -6.436 1.00 51.05 N ATOM 0 H ARG A 34 -10.149 -10.866 -5.471 1.00 30.24 H new ATOM 0 HA ARG A 34 -9.348 -13.452 -4.600 1.00 22.41 H new ATOM 0 HB2 ARG A 34 -8.327 -11.846 -6.293 1.00 13.03 H new ATOM 0 HB3 ARG A 34 -7.772 -10.891 -4.933 1.00 13.03 H new ATOM 0 HG2 ARG A 34 -5.969 -12.236 -5.751 1.00 35.20 H new ATOM 0 HG3 ARG A 34 -6.418 -12.792 -4.151 1.00 35.20 H new ATOM 0 HD2 ARG A 34 -7.542 -14.712 -5.014 1.00 65.52 H new ATOM 0 HD3 ARG A 34 -7.557 -14.072 -6.645 1.00 65.52 H new ATOM 0 HE ARG A 34 -4.866 -14.166 -6.074 1.00 30.04 H new ATOM 0 HH11 ARG A 34 -7.407 -16.629 -5.785 1.00 42.23 H new ATOM 0 HH12 ARG A 34 -6.292 -17.956 -6.129 1.00 42.23 H new ATOM 0 HH21 ARG A 34 -3.480 -15.860 -6.539 1.00 51.05 H new ATOM 0 HH22 ARG A 34 -4.078 -17.523 -6.554 1.00 51.05 H new ATOM 486 N VAL A 35 -8.921 -10.915 -2.501 1.00 13.42 N ATOM 487 CA VAL A 35 -8.663 -10.585 -1.090 1.00 65.43 C ATOM 488 C VAL A 35 -9.791 -11.112 -0.221 1.00 21.43 C ATOM 489 O VAL A 35 -9.563 -11.638 0.880 1.00 3.54 O ATOM 490 CB VAL A 35 -8.492 -9.052 -0.845 1.00 62.34 C ATOM 491 CG1 VAL A 35 -8.215 -8.755 0.626 1.00 74.24 C ATOM 492 CG2 VAL A 35 -7.380 -8.485 -1.700 1.00 53.45 C ATOM 0 H VAL A 35 -9.102 -10.107 -3.097 1.00 13.42 H new ATOM 0 HA VAL A 35 -7.721 -11.063 -0.823 1.00 65.43 H new ATOM 0 HB VAL A 35 -9.430 -8.573 -1.126 1.00 62.34 H new ATOM 0 HG11 VAL A 35 -8.101 -7.680 0.765 1.00 74.24 H new ATOM 0 HG12 VAL A 35 -9.047 -9.113 1.232 1.00 74.24 H new ATOM 0 HG13 VAL A 35 -7.299 -9.260 0.933 1.00 74.24 H new ATOM 0 HG21 VAL A 35 -7.283 -7.416 -1.509 1.00 53.45 H new ATOM 0 HG22 VAL A 35 -6.442 -8.984 -1.455 1.00 53.45 H new ATOM 0 HG23 VAL A 35 -7.612 -8.646 -2.753 1.00 53.45 H new ATOM 502 N ALA A 36 -10.995 -11.014 -0.749 1.00 33.23 N ATOM 503 CA ALA A 36 -12.178 -11.482 -0.064 1.00 42.11 C ATOM 504 C ALA A 36 -12.079 -12.983 0.181 1.00 72.11 C ATOM 505 O ALA A 36 -12.480 -13.484 1.228 1.00 13.22 O ATOM 506 CB ALA A 36 -13.413 -11.153 -0.886 1.00 15.51 C ATOM 0 H ALA A 36 -11.178 -10.607 -1.666 1.00 33.23 H new ATOM 0 HA ALA A 36 -12.258 -10.980 0.900 1.00 42.11 H new ATOM 0 HB1 ALA A 36 -14.302 -11.508 -0.365 1.00 15.51 H new ATOM 0 HB2 ALA A 36 -13.481 -10.074 -1.025 1.00 15.51 H new ATOM 0 HB3 ALA A 36 -13.343 -11.641 -1.858 1.00 15.51 H new ATOM 512 N GLU A 37 -11.508 -13.673 -0.786 1.00 71.51 N ATOM 513 CA GLU A 37 -11.320 -15.106 -0.738 1.00 14.42 C ATOM 514 C GLU A 37 -10.268 -15.461 0.330 1.00 33.30 C ATOM 515 O GLU A 37 -10.466 -16.374 1.144 1.00 61.53 O ATOM 516 CB GLU A 37 -10.830 -15.573 -2.098 1.00 25.04 C ATOM 517 CG GLU A 37 -11.196 -16.996 -2.442 1.00 34.03 C ATOM 518 CD GLU A 37 -12.675 -17.155 -2.647 1.00 55.33 C ATOM 519 OE1 GLU A 37 -13.171 -16.873 -3.775 1.00 1.30 O ATOM 520 OE2 GLU A 37 -13.380 -17.523 -1.699 1.00 44.24 O ATOM 0 H GLU A 37 -11.156 -13.244 -1.642 1.00 71.51 H new ATOM 0 HA GLU A 37 -12.262 -15.593 -0.485 1.00 14.42 H new ATOM 0 HB2 GLU A 37 -11.237 -14.912 -2.863 1.00 25.04 H new ATOM 0 HB3 GLU A 37 -9.745 -15.472 -2.133 1.00 25.04 H new ATOM 0 HG2 GLU A 37 -10.669 -17.299 -3.347 1.00 34.03 H new ATOM 0 HG3 GLU A 37 -10.866 -17.660 -1.643 1.00 34.03 H new ATOM 527 N LEU A 38 -9.166 -14.701 0.324 1.00 43.23 N ATOM 528 CA LEU A 38 -8.032 -14.895 1.246 1.00 74.40 C ATOM 529 C LEU A 38 -8.460 -14.813 2.694 1.00 13.32 C ATOM 530 O LEU A 38 -8.001 -15.584 3.531 1.00 3.10 O ATOM 531 CB LEU A 38 -6.956 -13.829 1.033 1.00 24.22 C ATOM 532 CG LEU A 38 -6.251 -13.779 -0.312 1.00 3.05 C ATOM 533 CD1 LEU A 38 -5.314 -12.595 -0.329 1.00 25.31 C ATOM 534 CD2 LEU A 38 -5.466 -15.058 -0.564 1.00 51.10 C ATOM 0 H LEU A 38 -9.032 -13.926 -0.326 1.00 43.23 H new ATOM 0 HA LEU A 38 -7.640 -15.888 1.029 1.00 74.40 H new ATOM 0 HB2 LEU A 38 -7.414 -12.855 1.205 1.00 24.22 H new ATOM 0 HB3 LEU A 38 -6.196 -13.965 1.802 1.00 24.22 H new ATOM 0 HG LEU A 38 -6.998 -13.680 -1.099 1.00 3.05 H new ATOM 0 HD11 LEU A 38 -4.802 -12.550 -1.290 1.00 25.31 H new ATOM 0 HD12 LEU A 38 -5.884 -11.678 -0.177 1.00 25.31 H new ATOM 0 HD13 LEU A 38 -4.579 -12.701 0.469 1.00 25.31 H new ATOM 0 HD21 LEU A 38 -4.971 -14.996 -1.533 1.00 51.10 H new ATOM 0 HD22 LEU A 38 -4.718 -15.186 0.218 1.00 51.10 H new ATOM 0 HD23 LEU A 38 -6.146 -15.910 -0.558 1.00 51.10 H new ATOM 546 N LEU A 39 -9.312 -13.863 2.986 1.00 0.12 N ATOM 547 CA LEU A 39 -9.749 -13.645 4.344 1.00 73.35 C ATOM 548 C LEU A 39 -11.050 -14.375 4.648 1.00 70.34 C ATOM 549 O LEU A 39 -11.393 -14.593 5.812 1.00 23.04 O ATOM 550 CB LEU A 39 -9.884 -12.149 4.620 1.00 4.33 C ATOM 551 CG LEU A 39 -8.616 -11.301 4.429 1.00 40.13 C ATOM 552 CD1 LEU A 39 -8.922 -9.832 4.650 1.00 23.31 C ATOM 553 CD2 LEU A 39 -7.506 -11.757 5.371 1.00 31.53 C ATOM 0 H LEU A 39 -9.718 -13.226 2.301 1.00 0.12 H new ATOM 0 HA LEU A 39 -8.990 -14.059 5.008 1.00 73.35 H new ATOM 0 HB2 LEU A 39 -10.663 -11.751 3.969 1.00 4.33 H new ATOM 0 HB3 LEU A 39 -10.229 -12.021 5.646 1.00 4.33 H new ATOM 0 HG LEU A 39 -8.271 -11.437 3.404 1.00 40.13 H new ATOM 0 HD11 LEU A 39 -8.013 -9.246 4.511 1.00 23.31 H new ATOM 0 HD12 LEU A 39 -9.677 -9.506 3.935 1.00 23.31 H new ATOM 0 HD13 LEU A 39 -9.296 -9.687 5.664 1.00 23.31 H new ATOM 0 HD21 LEU A 39 -6.621 -11.141 5.215 1.00 31.53 H new ATOM 0 HD22 LEU A 39 -7.841 -11.657 6.403 1.00 31.53 H new ATOM 0 HD23 LEU A 39 -7.262 -12.800 5.168 1.00 31.53 H new ATOM 565 N GLY A 40 -11.762 -14.770 3.615 1.00 63.52 N ATOM 566 CA GLY A 40 -13.046 -15.416 3.805 1.00 31.41 C ATOM 567 C GLY A 40 -14.081 -14.408 4.265 1.00 24.32 C ATOM 568 O GLY A 40 -14.969 -14.711 5.072 1.00 41.32 O ATOM 0 H GLY A 40 -11.478 -14.657 2.642 1.00 63.52 H new ATOM 0 HA2 GLY A 40 -13.369 -15.879 2.873 1.00 31.41 H new ATOM 0 HA3 GLY A 40 -12.953 -16.214 4.542 1.00 31.41 H new ATOM 572 N VAL A 41 -13.933 -13.201 3.775 1.00 52.11 N ATOM 573 CA VAL A 41 -14.807 -12.095 4.122 1.00 10.45 C ATOM 574 C VAL A 41 -15.439 -11.531 2.845 1.00 70.10 C ATOM 575 O VAL A 41 -14.996 -11.868 1.744 1.00 74.21 O ATOM 576 CB VAL A 41 -14.014 -10.956 4.856 1.00 54.34 C ATOM 577 CG1 VAL A 41 -13.328 -11.473 6.111 1.00 4.23 C ATOM 578 CG2 VAL A 41 -13.008 -10.280 3.926 1.00 71.25 C ATOM 0 H VAL A 41 -13.195 -12.951 3.116 1.00 52.11 H new ATOM 0 HA VAL A 41 -15.580 -12.464 4.795 1.00 10.45 H new ATOM 0 HB VAL A 41 -14.743 -10.205 5.159 1.00 54.34 H new ATOM 0 HG11 VAL A 41 -12.789 -10.658 6.593 1.00 4.23 H new ATOM 0 HG12 VAL A 41 -14.076 -11.869 6.798 1.00 4.23 H new ATOM 0 HG13 VAL A 41 -12.627 -12.263 5.843 1.00 4.23 H new ATOM 0 HG21 VAL A 41 -12.479 -9.497 4.470 1.00 71.25 H new ATOM 0 HG22 VAL A 41 -12.292 -11.019 3.565 1.00 71.25 H new ATOM 0 HG23 VAL A 41 -13.534 -9.841 3.079 1.00 71.25 H new ATOM 588 N PRO A 42 -16.509 -10.733 2.952 1.00 14.41 N ATOM 589 CA PRO A 42 -17.075 -10.049 1.794 1.00 33.52 C ATOM 590 C PRO A 42 -16.165 -8.906 1.320 1.00 60.24 C ATOM 591 O PRO A 42 -15.351 -8.373 2.103 1.00 21.40 O ATOM 592 CB PRO A 42 -18.393 -9.474 2.317 1.00 25.21 C ATOM 593 CG PRO A 42 -18.201 -9.359 3.786 1.00 5.15 C ATOM 594 CD PRO A 42 -17.302 -10.490 4.179 1.00 73.43 C ATOM 0 HA PRO A 42 -17.197 -10.719 0.943 1.00 33.52 H new ATOM 0 HB2 PRO A 42 -18.607 -8.504 1.869 1.00 25.21 H new ATOM 0 HB3 PRO A 42 -19.232 -10.127 2.078 1.00 25.21 H new ATOM 0 HG2 PRO A 42 -17.755 -8.399 4.046 1.00 5.15 H new ATOM 0 HG3 PRO A 42 -19.155 -9.420 4.309 1.00 5.15 H new ATOM 0 HD2 PRO A 42 -16.666 -10.224 5.024 1.00 73.43 H new ATOM 0 HD3 PRO A 42 -17.870 -11.373 4.473 1.00 73.43 H new ATOM 602 N VAL A 43 -16.328 -8.510 0.065 1.00 54.34 N ATOM 603 CA VAL A 43 -15.552 -7.414 -0.534 1.00 73.31 C ATOM 604 C VAL A 43 -15.777 -6.120 0.255 1.00 34.13 C ATOM 605 O VAL A 43 -14.866 -5.307 0.428 1.00 44.10 O ATOM 606 CB VAL A 43 -15.958 -7.177 -2.018 1.00 51.25 C ATOM 607 CG1 VAL A 43 -15.152 -6.041 -2.637 1.00 62.21 C ATOM 608 CG2 VAL A 43 -15.801 -8.452 -2.838 1.00 13.14 C ATOM 0 H VAL A 43 -17.001 -8.935 -0.573 1.00 54.34 H new ATOM 0 HA VAL A 43 -14.500 -7.697 -0.499 1.00 73.31 H new ATOM 0 HB VAL A 43 -17.010 -6.890 -2.029 1.00 51.25 H new ATOM 0 HG11 VAL A 43 -15.459 -5.900 -3.673 1.00 62.21 H new ATOM 0 HG12 VAL A 43 -15.329 -5.122 -2.078 1.00 62.21 H new ATOM 0 HG13 VAL A 43 -14.091 -6.287 -2.603 1.00 62.21 H new ATOM 0 HG21 VAL A 43 -16.091 -8.259 -3.871 1.00 13.14 H new ATOM 0 HG22 VAL A 43 -14.761 -8.778 -2.808 1.00 13.14 H new ATOM 0 HG23 VAL A 43 -16.438 -9.233 -2.422 1.00 13.14 H new ATOM 618 N SER A 44 -16.984 -5.964 0.757 1.00 65.03 N ATOM 619 CA SER A 44 -17.340 -4.812 1.542 1.00 23.31 C ATOM 620 C SER A 44 -16.485 -4.745 2.834 1.00 73.44 C ATOM 621 O SER A 44 -16.060 -3.672 3.235 1.00 10.43 O ATOM 622 CB SER A 44 -18.850 -4.824 1.833 1.00 13.32 C ATOM 623 OG SER A 44 -19.291 -3.625 2.444 1.00 70.20 O ATOM 0 H SER A 44 -17.742 -6.635 0.630 1.00 65.03 H new ATOM 0 HA SER A 44 -17.123 -3.905 0.977 1.00 23.31 H new ATOM 0 HB2 SER A 44 -19.396 -4.976 0.902 1.00 13.32 H new ATOM 0 HB3 SER A 44 -19.086 -5.667 2.482 1.00 13.32 H new ATOM 0 HG SER A 44 -20.256 -3.677 2.609 1.00 70.20 H new ATOM 629 N LYS A 45 -16.177 -5.906 3.450 1.00 31.15 N ATOM 630 CA LYS A 45 -15.335 -5.902 4.643 1.00 63.52 C ATOM 631 C LYS A 45 -13.908 -5.528 4.277 1.00 64.41 C ATOM 632 O LYS A 45 -13.213 -4.890 5.049 1.00 1.13 O ATOM 633 CB LYS A 45 -15.380 -7.220 5.438 1.00 45.22 C ATOM 634 CG LYS A 45 -14.596 -7.137 6.752 1.00 5.42 C ATOM 635 CD LYS A 45 -14.782 -8.350 7.656 1.00 0.22 C ATOM 636 CE LYS A 45 -16.219 -8.474 8.138 1.00 40.34 C ATOM 637 NZ LYS A 45 -16.370 -9.511 9.169 1.00 22.10 N ATOM 0 H LYS A 45 -16.492 -6.827 3.145 1.00 31.15 H new ATOM 0 HA LYS A 45 -15.746 -5.146 5.312 1.00 63.52 H new ATOM 0 HB2 LYS A 45 -16.417 -7.476 5.653 1.00 45.22 H new ATOM 0 HB3 LYS A 45 -14.973 -8.025 4.826 1.00 45.22 H new ATOM 0 HG2 LYS A 45 -13.536 -7.023 6.525 1.00 5.42 H new ATOM 0 HG3 LYS A 45 -14.904 -6.242 7.292 1.00 5.42 H new ATOM 0 HD2 LYS A 45 -14.500 -9.254 7.116 1.00 0.22 H new ATOM 0 HD3 LYS A 45 -14.115 -8.270 8.515 1.00 0.22 H new ATOM 0 HE2 LYS A 45 -16.551 -7.516 8.537 1.00 40.34 H new ATOM 0 HE3 LYS A 45 -16.866 -8.708 7.292 1.00 40.34 H new ATOM 0 HZ1 LYS A 45 -17.365 -9.561 9.468 1.00 22.10 H new ATOM 0 HZ2 LYS A 45 -16.079 -10.431 8.781 1.00 22.10 H new ATOM 0 HZ3 LYS A 45 -15.774 -9.276 9.988 1.00 22.10 H new ATOM 651 N VAL A 46 -13.487 -5.914 3.079 1.00 52.53 N ATOM 652 CA VAL A 46 -12.164 -5.537 2.570 1.00 12.03 C ATOM 653 C VAL A 46 -12.092 -4.007 2.476 1.00 20.24 C ATOM 654 O VAL A 46 -11.103 -3.378 2.876 1.00 0.00 O ATOM 655 CB VAL A 46 -11.890 -6.156 1.168 1.00 32.21 C ATOM 656 CG1 VAL A 46 -10.534 -5.725 0.632 1.00 33.33 C ATOM 657 CG2 VAL A 46 -11.983 -7.675 1.220 1.00 43.12 C ATOM 0 H VAL A 46 -14.037 -6.487 2.439 1.00 52.53 H new ATOM 0 HA VAL A 46 -11.407 -5.919 3.255 1.00 12.03 H new ATOM 0 HB VAL A 46 -12.656 -5.786 0.487 1.00 32.21 H new ATOM 0 HG11 VAL A 46 -10.371 -6.173 -0.348 1.00 33.33 H new ATOM 0 HG12 VAL A 46 -10.506 -4.639 0.544 1.00 33.33 H new ATOM 0 HG13 VAL A 46 -9.751 -6.054 1.316 1.00 33.33 H new ATOM 0 HG21 VAL A 46 -11.788 -8.086 0.229 1.00 43.12 H new ATOM 0 HG22 VAL A 46 -11.246 -8.061 1.924 1.00 43.12 H new ATOM 0 HG23 VAL A 46 -12.982 -7.967 1.544 1.00 43.12 H new ATOM 667 N ALA A 47 -13.177 -3.428 1.994 1.00 23.10 N ATOM 668 CA ALA A 47 -13.329 -1.989 1.894 1.00 14.13 C ATOM 669 C ALA A 47 -13.305 -1.347 3.294 1.00 4.14 C ATOM 670 O ALA A 47 -12.779 -0.255 3.482 1.00 1.33 O ATOM 671 CB ALA A 47 -14.615 -1.645 1.147 1.00 23.31 C ATOM 0 H ALA A 47 -13.986 -3.950 1.657 1.00 23.10 H new ATOM 0 HA ALA A 47 -12.491 -1.583 1.327 1.00 14.13 H new ATOM 0 HB1 ALA A 47 -14.717 -0.562 1.079 1.00 23.31 H new ATOM 0 HB2 ALA A 47 -14.578 -2.070 0.144 1.00 23.31 H new ATOM 0 HB3 ALA A 47 -15.469 -2.057 1.684 1.00 23.31 H new ATOM 677 N GLN A 48 -13.878 -2.042 4.265 1.00 24.54 N ATOM 678 CA GLN A 48 -13.892 -1.585 5.653 1.00 14.11 C ATOM 679 C GLN A 48 -12.482 -1.580 6.244 1.00 71.03 C ATOM 680 O GLN A 48 -12.122 -0.674 6.976 1.00 0.03 O ATOM 681 CB GLN A 48 -14.820 -2.441 6.506 1.00 44.02 C ATOM 682 CG GLN A 48 -16.271 -2.385 6.077 1.00 55.11 C ATOM 683 CD GLN A 48 -17.157 -3.220 6.958 1.00 63.14 C ATOM 684 OE1 GLN A 48 -17.369 -4.407 6.706 1.00 5.41 O ATOM 685 NE2 GLN A 48 -17.701 -2.617 7.970 1.00 70.52 N ATOM 0 H GLN A 48 -14.346 -2.936 4.117 1.00 24.54 H new ATOM 0 HA GLN A 48 -14.271 -0.563 5.657 1.00 14.11 H new ATOM 0 HB2 GLN A 48 -14.480 -3.476 6.469 1.00 44.02 H new ATOM 0 HB3 GLN A 48 -14.745 -2.117 7.544 1.00 44.02 H new ATOM 0 HG2 GLN A 48 -16.614 -1.351 6.096 1.00 55.11 H new ATOM 0 HG3 GLN A 48 -16.357 -2.730 5.047 1.00 55.11 H new ATOM 0 HE21 GLN A 48 -17.500 -1.632 8.145 1.00 70.52 H new ATOM 0 HE22 GLN A 48 -18.329 -3.128 8.590 1.00 70.52 H new ATOM 694 N GLN A 49 -11.683 -2.579 5.894 1.00 33.34 N ATOM 695 CA GLN A 49 -10.288 -2.648 6.353 1.00 64.42 C ATOM 696 C GLN A 49 -9.521 -1.456 5.791 1.00 60.34 C ATOM 697 O GLN A 49 -8.744 -0.794 6.496 1.00 11.12 O ATOM 698 CB GLN A 49 -9.631 -3.946 5.883 1.00 32.32 C ATOM 699 CG GLN A 49 -10.366 -5.212 6.303 1.00 71.12 C ATOM 700 CD GLN A 49 -10.341 -5.509 7.804 1.00 31.43 C ATOM 701 OE1 GLN A 49 -10.259 -4.615 8.651 1.00 13.44 O ATOM 702 NE2 GLN A 49 -10.441 -6.770 8.139 1.00 54.14 N ATOM 0 H GLN A 49 -11.969 -3.354 5.296 1.00 33.34 H new ATOM 0 HA GLN A 49 -10.270 -2.626 7.443 1.00 64.42 H new ATOM 0 HB2 GLN A 49 -9.556 -3.928 4.796 1.00 32.32 H new ATOM 0 HB3 GLN A 49 -8.614 -3.985 6.272 1.00 32.32 H new ATOM 0 HG2 GLN A 49 -11.404 -5.135 5.981 1.00 71.12 H new ATOM 0 HG3 GLN A 49 -9.930 -6.059 5.773 1.00 71.12 H new ATOM 0 HE21 GLN A 49 -10.507 -7.486 7.416 1.00 54.14 H new ATOM 0 HE22 GLN A 49 -10.453 -7.037 9.123 1.00 54.14 H new ATOM 711 N LEU A 50 -9.801 -1.160 4.534 1.00 35.42 N ATOM 712 CA LEU A 50 -9.219 -0.018 3.832 1.00 74.30 C ATOM 713 C LEU A 50 -9.631 1.277 4.545 1.00 32.11 C ATOM 714 O LEU A 50 -8.806 2.150 4.788 1.00 43.03 O ATOM 715 CB LEU A 50 -9.728 -0.009 2.374 1.00 73.13 C ATOM 716 CG LEU A 50 -9.296 1.163 1.477 1.00 73.24 C ATOM 717 CD1 LEU A 50 -7.797 1.167 1.246 1.00 3.03 C ATOM 718 CD2 LEU A 50 -10.042 1.121 0.152 1.00 24.32 C ATOM 0 H LEU A 50 -10.444 -1.708 3.962 1.00 35.42 H new ATOM 0 HA LEU A 50 -8.132 -0.092 3.831 1.00 74.30 H new ATOM 0 HB2 LEU A 50 -9.402 -0.934 1.899 1.00 73.13 H new ATOM 0 HB3 LEU A 50 -10.818 -0.030 2.398 1.00 73.13 H new ATOM 0 HG LEU A 50 -9.551 2.088 1.994 1.00 73.24 H new ATOM 0 HD11 LEU A 50 -7.529 2.009 0.608 1.00 3.03 H new ATOM 0 HD12 LEU A 50 -7.282 1.258 2.202 1.00 3.03 H new ATOM 0 HD13 LEU A 50 -7.501 0.236 0.762 1.00 3.03 H new ATOM 0 HD21 LEU A 50 -9.725 1.957 -0.471 1.00 24.32 H new ATOM 0 HD22 LEU A 50 -9.823 0.184 -0.359 1.00 24.32 H new ATOM 0 HD23 LEU A 50 -11.114 1.192 0.336 1.00 24.32 H new ATOM 730 N ARG A 51 -10.900 1.337 4.936 1.00 44.11 N ATOM 731 CA ARG A 51 -11.480 2.452 5.651 1.00 53.45 C ATOM 732 C ARG A 51 -10.780 2.695 6.998 1.00 13.22 C ATOM 733 O ARG A 51 -10.646 3.831 7.443 1.00 63.20 O ATOM 734 CB ARG A 51 -12.967 2.167 5.871 1.00 61.22 C ATOM 735 CG ARG A 51 -13.685 3.203 6.681 1.00 1.15 C ATOM 736 CD ARG A 51 -15.141 2.848 6.856 1.00 52.43 C ATOM 737 NE ARG A 51 -15.881 3.870 7.595 1.00 44.42 N ATOM 738 CZ ARG A 51 -17.215 3.942 7.677 1.00 51.22 C ATOM 739 NH1 ARG A 51 -17.969 3.009 7.117 1.00 15.32 N ATOM 740 NH2 ARG A 51 -17.784 4.932 8.356 1.00 10.24 N ATOM 0 H ARG A 51 -11.566 0.586 4.756 1.00 44.11 H new ATOM 0 HA ARG A 51 -11.349 3.356 5.057 1.00 53.45 H new ATOM 0 HB2 ARG A 51 -13.455 2.081 4.900 1.00 61.22 H new ATOM 0 HB3 ARG A 51 -13.070 1.201 6.366 1.00 61.22 H new ATOM 0 HG2 ARG A 51 -13.211 3.297 7.658 1.00 1.15 H new ATOM 0 HG3 ARG A 51 -13.601 4.173 6.192 1.00 1.15 H new ATOM 0 HD2 ARG A 51 -15.598 2.710 5.876 1.00 52.43 H new ATOM 0 HD3 ARG A 51 -15.219 1.896 7.381 1.00 52.43 H new ATOM 0 HE ARG A 51 -15.340 4.582 8.085 1.00 44.42 H new ATOM 0 HH11 ARG A 51 -17.534 2.231 6.621 1.00 15.32 H new ATOM 0 HH12 ARG A 51 -18.985 3.068 7.182 1.00 15.32 H new ATOM 0 HH21 ARG A 51 -17.204 5.636 8.814 1.00 10.24 H new ATOM 0 HH22 ARG A 51 -18.800 4.989 8.420 1.00 10.24 H new ATOM 754 N GLU A 52 -10.309 1.638 7.624 1.00 44.12 N ATOM 755 CA GLU A 52 -9.680 1.766 8.929 1.00 12.31 C ATOM 756 C GLU A 52 -8.211 2.115 8.794 1.00 23.52 C ATOM 757 O GLU A 52 -7.544 2.468 9.783 1.00 73.13 O ATOM 758 CB GLU A 52 -9.817 0.471 9.721 1.00 45.41 C ATOM 759 CG GLU A 52 -11.245 0.065 10.015 1.00 11.21 C ATOM 760 CD GLU A 52 -12.008 1.120 10.774 1.00 65.22 C ATOM 761 OE1 GLU A 52 -11.556 1.536 11.861 1.00 50.23 O ATOM 762 OE2 GLU A 52 -13.106 1.499 10.341 1.00 52.44 O ATOM 0 H GLU A 52 -10.347 0.687 7.258 1.00 44.12 H new ATOM 0 HA GLU A 52 -10.188 2.571 9.460 1.00 12.31 H new ATOM 0 HB2 GLU A 52 -9.331 -0.332 9.167 1.00 45.41 H new ATOM 0 HB3 GLU A 52 -9.281 0.578 10.664 1.00 45.41 H new ATOM 0 HG2 GLU A 52 -11.759 -0.144 9.077 1.00 11.21 H new ATOM 0 HG3 GLU A 52 -11.244 -0.861 10.591 1.00 11.21 H new ATOM 769 N GLY A 53 -7.711 2.043 7.579 1.00 53.33 N ATOM 770 CA GLY A 53 -6.310 2.231 7.354 1.00 1.32 C ATOM 771 C GLY A 53 -5.557 1.001 7.796 1.00 33.24 C ATOM 772 O GLY A 53 -4.449 1.087 8.328 1.00 53.12 O ATOM 0 H GLY A 53 -8.259 1.856 6.739 1.00 53.33 H new ATOM 0 HA2 GLY A 53 -6.124 2.424 6.297 1.00 1.32 H new ATOM 0 HA3 GLY A 53 -5.957 3.103 7.904 1.00 1.32 H new ATOM 776 N HIS A 54 -6.198 -0.140 7.635 1.00 12.14 N ATOM 777 CA HIS A 54 -5.613 -1.421 7.982 1.00 63.50 C ATOM 778 C HIS A 54 -5.029 -2.044 6.718 1.00 41.54 C ATOM 779 O HIS A 54 -4.199 -2.938 6.771 1.00 3.21 O ATOM 780 CB HIS A 54 -6.701 -2.336 8.609 1.00 72.21 C ATOM 781 CG HIS A 54 -6.213 -3.667 9.129 1.00 41.24 C ATOM 782 ND1 HIS A 54 -6.571 -4.888 8.594 1.00 72.54 N ATOM 783 CD2 HIS A 54 -5.409 -3.948 10.184 1.00 21.45 C ATOM 784 CE1 HIS A 54 -5.993 -5.842 9.318 1.00 33.35 C ATOM 785 NE2 HIS A 54 -5.271 -5.330 10.299 1.00 52.31 N ATOM 0 H HIS A 54 -7.144 -0.205 7.258 1.00 12.14 H new ATOM 0 HA HIS A 54 -4.817 -1.295 8.716 1.00 63.50 H new ATOM 0 HB2 HIS A 54 -7.175 -1.797 9.429 1.00 72.21 H new ATOM 0 HB3 HIS A 54 -7.472 -2.519 7.861 1.00 72.21 H new ATOM 0 HD2 HIS A 54 -4.949 -3.217 10.832 1.00 21.45 H new ATOM 0 HE1 HIS A 54 -6.100 -6.900 9.128 1.00 33.35 H new ATOM 0 HE2 HIS A 54 -4.727 -5.840 10.995 1.00 52.31 H new ATOM 793 N LEU A 55 -5.456 -1.523 5.587 1.00 21.41 N ATOM 794 CA LEU A 55 -5.025 -1.994 4.298 1.00 55.42 C ATOM 795 C LEU A 55 -5.095 -0.817 3.328 1.00 13.35 C ATOM 796 O LEU A 55 -5.812 0.144 3.599 1.00 71.21 O ATOM 797 CB LEU A 55 -5.957 -3.130 3.835 1.00 52.13 C ATOM 798 CG LEU A 55 -5.558 -3.879 2.560 1.00 25.53 C ATOM 799 CD1 LEU A 55 -4.220 -4.581 2.750 1.00 53.40 C ATOM 800 CD2 LEU A 55 -6.640 -4.878 2.175 1.00 72.10 C ATOM 0 H LEU A 55 -6.121 -0.751 5.542 1.00 21.41 H new ATOM 0 HA LEU A 55 -4.007 -2.381 4.341 1.00 55.42 H new ATOM 0 HB2 LEU A 55 -6.035 -3.856 4.644 1.00 52.13 H new ATOM 0 HB3 LEU A 55 -6.952 -2.712 3.685 1.00 52.13 H new ATOM 0 HG LEU A 55 -5.451 -3.157 1.750 1.00 25.53 H new ATOM 0 HD11 LEU A 55 -3.952 -5.108 1.834 1.00 53.40 H new ATOM 0 HD12 LEU A 55 -3.452 -3.843 2.982 1.00 53.40 H new ATOM 0 HD13 LEU A 55 -4.297 -5.295 3.570 1.00 53.40 H new ATOM 0 HD21 LEU A 55 -6.344 -5.403 1.267 1.00 72.10 H new ATOM 0 HD22 LEU A 55 -6.775 -5.597 2.983 1.00 72.10 H new ATOM 0 HD23 LEU A 55 -7.577 -4.350 1.999 1.00 72.10 H new ATOM 812 N VAL A 56 -4.332 -0.878 2.239 1.00 64.41 N ATOM 813 CA VAL A 56 -4.308 0.165 1.203 1.00 23.14 C ATOM 814 C VAL A 56 -4.356 -0.503 -0.170 1.00 65.13 C ATOM 815 O VAL A 56 -3.830 -1.607 -0.343 1.00 2.32 O ATOM 816 CB VAL A 56 -3.029 1.077 1.321 1.00 30.24 C ATOM 817 CG1 VAL A 56 -2.856 2.010 0.132 1.00 43.42 C ATOM 818 CG2 VAL A 56 -3.084 1.906 2.580 1.00 50.02 C ATOM 0 H VAL A 56 -3.705 -1.659 2.044 1.00 64.41 H new ATOM 0 HA VAL A 56 -5.176 0.810 1.338 1.00 23.14 H new ATOM 0 HB VAL A 56 -2.176 0.399 1.346 1.00 30.24 H new ATOM 0 HG11 VAL A 56 -1.958 2.613 0.270 1.00 43.42 H new ATOM 0 HG12 VAL A 56 -2.761 1.422 -0.781 1.00 43.42 H new ATOM 0 HG13 VAL A 56 -3.724 2.664 0.054 1.00 43.42 H new ATOM 0 HG21 VAL A 56 -2.192 2.530 2.644 1.00 50.02 H new ATOM 0 HG22 VAL A 56 -3.970 2.541 2.559 1.00 50.02 H new ATOM 0 HG23 VAL A 56 -3.130 1.248 3.447 1.00 50.02 H new ATOM 828 N ALA A 57 -4.975 0.159 -1.117 1.00 40.04 N ATOM 829 CA ALA A 57 -5.143 -0.349 -2.454 1.00 64.13 C ATOM 830 C ALA A 57 -4.810 0.744 -3.457 1.00 23.54 C ATOM 831 O ALA A 57 -4.775 1.913 -3.104 1.00 23.23 O ATOM 832 CB ALA A 57 -6.580 -0.809 -2.652 1.00 61.25 C ATOM 0 H ALA A 57 -5.383 1.083 -0.976 1.00 40.04 H new ATOM 0 HA ALA A 57 -4.473 -1.195 -2.606 1.00 64.13 H new ATOM 0 HB1 ALA A 57 -6.703 -1.193 -3.665 1.00 61.25 H new ATOM 0 HB2 ALA A 57 -6.812 -1.597 -1.935 1.00 61.25 H new ATOM 0 HB3 ALA A 57 -7.256 0.032 -2.498 1.00 61.25 H new ATOM 838 N VAL A 58 -4.556 0.354 -4.683 1.00 22.22 N ATOM 839 CA VAL A 58 -4.284 1.274 -5.784 1.00 3.25 C ATOM 840 C VAL A 58 -5.094 0.875 -6.992 1.00 24.30 C ATOM 841 O VAL A 58 -5.668 -0.221 -7.024 1.00 64.22 O ATOM 842 CB VAL A 58 -2.780 1.386 -6.168 1.00 23.03 C ATOM 843 CG1 VAL A 58 -2.022 2.213 -5.145 1.00 14.12 C ATOM 844 CG2 VAL A 58 -2.141 0.007 -6.316 1.00 53.44 C ATOM 0 H VAL A 58 -4.530 -0.628 -4.958 1.00 22.22 H new ATOM 0 HA VAL A 58 -4.576 2.263 -5.431 1.00 3.25 H new ATOM 0 HB VAL A 58 -2.723 1.890 -7.133 1.00 23.03 H new ATOM 0 HG11 VAL A 58 -0.973 2.277 -5.434 1.00 14.12 H new ATOM 0 HG12 VAL A 58 -2.448 3.215 -5.099 1.00 14.12 H new ATOM 0 HG13 VAL A 58 -2.100 1.741 -4.166 1.00 14.12 H new ATOM 0 HG21 VAL A 58 -1.091 0.120 -6.585 1.00 53.44 H new ATOM 0 HG22 VAL A 58 -2.218 -0.533 -5.372 1.00 53.44 H new ATOM 0 HG23 VAL A 58 -2.657 -0.551 -7.097 1.00 53.44 H new ATOM 854 N ARG A 59 -5.172 1.744 -7.967 1.00 13.55 N ATOM 855 CA ARG A 59 -5.960 1.470 -9.143 1.00 22.11 C ATOM 856 C ARG A 59 -5.073 1.304 -10.357 1.00 63.35 C ATOM 857 O ARG A 59 -4.245 2.169 -10.654 1.00 43.00 O ATOM 858 CB ARG A 59 -6.980 2.579 -9.397 1.00 23.41 C ATOM 859 CG ARG A 59 -7.978 2.791 -8.267 1.00 43.41 C ATOM 860 CD ARG A 59 -8.997 3.868 -8.618 1.00 24.01 C ATOM 861 NE ARG A 59 -9.930 3.445 -9.675 1.00 71.42 N ATOM 862 CZ ARG A 59 -10.144 4.083 -10.846 1.00 45.30 C ATOM 863 NH1 ARG A 59 -9.434 5.159 -11.165 1.00 44.35 N ATOM 864 NH2 ARG A 59 -11.086 3.641 -11.679 1.00 72.41 N ATOM 0 H ARG A 59 -4.700 2.648 -7.971 1.00 13.55 H new ATOM 0 HA ARG A 59 -6.498 0.539 -8.966 1.00 22.11 H new ATOM 0 HB2 ARG A 59 -6.446 3.513 -9.573 1.00 23.41 H new ATOM 0 HB3 ARG A 59 -7.528 2.348 -10.310 1.00 23.41 H new ATOM 0 HG2 ARG A 59 -8.495 1.855 -8.056 1.00 43.41 H new ATOM 0 HG3 ARG A 59 -7.446 3.074 -7.359 1.00 43.41 H new ATOM 0 HD2 ARG A 59 -9.563 4.132 -7.724 1.00 24.01 H new ATOM 0 HD3 ARG A 59 -8.472 4.767 -8.941 1.00 24.01 H new ATOM 0 HE ARG A 59 -10.464 2.592 -9.508 1.00 71.42 H new ATOM 0 HH11 ARG A 59 -8.722 5.509 -10.524 1.00 44.35 H new ATOM 0 HH12 ARG A 59 -9.601 5.636 -12.051 1.00 44.35 H new ATOM 0 HH21 ARG A 59 -11.643 2.823 -11.431 1.00 72.41 H new ATOM 0 HH22 ARG A 59 -11.250 4.121 -12.564 1.00 72.41 H new ATOM 878 N ARG A 60 -5.243 0.202 -11.046 1.00 51.53 N ATOM 879 CA ARG A 60 -4.519 -0.059 -12.265 1.00 64.03 C ATOM 880 C ARG A 60 -5.501 -0.469 -13.344 1.00 55.31 C ATOM 881 O ARG A 60 -6.308 -1.378 -13.135 1.00 40.22 O ATOM 882 CB ARG A 60 -3.354 -1.089 -12.061 1.00 63.33 C ATOM 883 CG ARG A 60 -3.737 -2.525 -11.649 1.00 14.01 C ATOM 884 CD ARG A 60 -4.101 -3.422 -12.836 1.00 71.32 C ATOM 885 NE ARG A 60 -4.492 -4.775 -12.404 1.00 13.50 N ATOM 886 CZ ARG A 60 -3.891 -5.922 -12.778 1.00 24.44 C ATOM 887 NH1 ARG A 60 -2.929 -5.910 -13.700 1.00 22.11 N ATOM 888 NH2 ARG A 60 -4.302 -7.086 -12.280 1.00 51.35 N ATOM 0 H ARG A 60 -5.889 -0.540 -10.776 1.00 51.53 H new ATOM 0 HA ARG A 60 -4.020 0.855 -12.588 1.00 64.03 H new ATOM 0 HB2 ARG A 60 -2.788 -1.146 -12.991 1.00 63.33 H new ATOM 0 HB3 ARG A 60 -2.681 -0.690 -11.302 1.00 63.33 H new ATOM 0 HG2 ARG A 60 -2.905 -2.973 -11.106 1.00 14.01 H new ATOM 0 HG3 ARG A 60 -4.582 -2.485 -10.961 1.00 14.01 H new ATOM 0 HD2 ARG A 60 -4.920 -2.969 -13.395 1.00 71.32 H new ATOM 0 HD3 ARG A 60 -3.250 -3.489 -13.514 1.00 71.32 H new ATOM 0 HE ARG A 60 -5.285 -4.850 -11.767 1.00 13.50 H new ATOM 0 HH11 ARG A 60 -2.643 -5.029 -14.127 1.00 22.11 H new ATOM 0 HH12 ARG A 60 -2.478 -6.782 -13.978 1.00 22.11 H new ATOM 0 HH21 ARG A 60 -5.074 -7.112 -11.614 1.00 51.35 H new ATOM 0 HH22 ARG A 60 -3.845 -7.952 -12.565 1.00 51.35 H new ATOM 902 N ALA A 61 -5.503 0.269 -14.449 1.00 70.50 N ATOM 903 CA ALA A 61 -6.380 0.006 -15.610 1.00 52.41 C ATOM 904 C ALA A 61 -7.865 0.064 -15.222 1.00 25.22 C ATOM 905 O ALA A 61 -8.728 -0.540 -15.879 1.00 1.52 O ATOM 906 CB ALA A 61 -6.030 -1.334 -16.263 1.00 5.25 C ATOM 0 H ALA A 61 -4.894 1.077 -14.576 1.00 70.50 H new ATOM 0 HA ALA A 61 -6.206 0.795 -16.342 1.00 52.41 H new ATOM 0 HB1 ALA A 61 -6.688 -1.507 -17.115 1.00 5.25 H new ATOM 0 HB2 ALA A 61 -4.994 -1.314 -16.603 1.00 5.25 H new ATOM 0 HB3 ALA A 61 -6.158 -2.137 -15.537 1.00 5.25 H new ATOM 912 N GLY A 62 -8.161 0.816 -14.180 1.00 61.12 N ATOM 913 CA GLY A 62 -9.522 0.956 -13.707 1.00 31.14 C ATOM 914 C GLY A 62 -9.859 -0.049 -12.624 1.00 25.30 C ATOM 915 O GLY A 62 -10.919 0.029 -12.003 1.00 12.33 O ATOM 0 H GLY A 62 -7.472 1.342 -13.643 1.00 61.12 H new ATOM 0 HA2 GLY A 62 -9.669 1.965 -13.322 1.00 31.14 H new ATOM 0 HA3 GLY A 62 -10.210 0.831 -14.543 1.00 31.14 H new ATOM 919 N GLY A 63 -8.957 -0.969 -12.382 1.00 31.22 N ATOM 920 CA GLY A 63 -9.183 -1.997 -11.404 1.00 0.25 C ATOM 921 C GLY A 63 -8.566 -1.659 -10.086 1.00 64.54 C ATOM 922 O GLY A 63 -7.537 -0.984 -10.033 1.00 62.11 O ATOM 0 H GLY A 63 -8.055 -1.024 -12.854 1.00 31.22 H new ATOM 0 HA2 GLY A 63 -10.255 -2.146 -11.275 1.00 0.25 H new ATOM 0 HA3 GLY A 63 -8.772 -2.939 -11.766 1.00 0.25 H new ATOM 926 N VAL A 64 -9.170 -2.127 -9.034 1.00 25.04 N ATOM 927 CA VAL A 64 -8.679 -1.888 -7.707 1.00 44.24 C ATOM 928 C VAL A 64 -7.882 -3.095 -7.302 1.00 12.11 C ATOM 929 O VAL A 64 -8.397 -4.227 -7.308 1.00 14.33 O ATOM 930 CB VAL A 64 -9.835 -1.680 -6.687 1.00 10.23 C ATOM 931 CG1 VAL A 64 -9.295 -1.374 -5.295 1.00 75.41 C ATOM 932 CG2 VAL A 64 -10.772 -0.576 -7.143 1.00 64.03 C ATOM 0 H VAL A 64 -10.021 -2.688 -9.071 1.00 25.04 H new ATOM 0 HA VAL A 64 -8.077 -0.980 -7.708 1.00 44.24 H new ATOM 0 HB VAL A 64 -10.398 -2.612 -6.637 1.00 10.23 H new ATOM 0 HG11 VAL A 64 -10.127 -1.234 -4.605 1.00 75.41 H new ATOM 0 HG12 VAL A 64 -8.677 -2.204 -4.954 1.00 75.41 H new ATOM 0 HG13 VAL A 64 -8.695 -0.465 -5.329 1.00 75.41 H new ATOM 0 HG21 VAL A 64 -11.571 -0.452 -6.412 1.00 64.03 H new ATOM 0 HG22 VAL A 64 -10.217 0.357 -7.236 1.00 64.03 H new ATOM 0 HG23 VAL A 64 -11.202 -0.840 -8.109 1.00 64.03 H new ATOM 942 N VAL A 65 -6.642 -2.878 -7.000 1.00 53.14 N ATOM 943 CA VAL A 65 -5.755 -3.940 -6.629 1.00 64.35 C ATOM 944 C VAL A 65 -5.002 -3.598 -5.373 1.00 73.44 C ATOM 945 O VAL A 65 -4.748 -2.426 -5.070 1.00 21.21 O ATOM 946 CB VAL A 65 -4.746 -4.294 -7.758 1.00 44.13 C ATOM 947 CG1 VAL A 65 -5.441 -5.007 -8.909 1.00 42.23 C ATOM 948 CG2 VAL A 65 -4.070 -3.035 -8.269 1.00 14.25 C ATOM 0 H VAL A 65 -6.211 -1.954 -7.003 1.00 53.14 H new ATOM 0 HA VAL A 65 -6.381 -4.815 -6.452 1.00 64.35 H new ATOM 0 HB VAL A 65 -3.995 -4.964 -7.340 1.00 44.13 H new ATOM 0 HG11 VAL A 65 -4.712 -5.243 -9.684 1.00 42.23 H new ATOM 0 HG12 VAL A 65 -5.895 -5.929 -8.545 1.00 42.23 H new ATOM 0 HG13 VAL A 65 -6.215 -4.361 -9.323 1.00 42.23 H new ATOM 0 HG21 VAL A 65 -3.366 -3.295 -9.059 1.00 14.25 H new ATOM 0 HG22 VAL A 65 -4.823 -2.353 -8.664 1.00 14.25 H new ATOM 0 HG23 VAL A 65 -3.535 -2.552 -7.451 1.00 14.25 H new ATOM 958 N ILE A 66 -4.666 -4.610 -4.656 1.00 52.31 N ATOM 959 CA ILE A 66 -3.942 -4.498 -3.434 1.00 44.24 C ATOM 960 C ILE A 66 -2.635 -5.254 -3.634 1.00 73.51 C ATOM 961 O ILE A 66 -2.656 -6.374 -4.133 1.00 13.11 O ATOM 962 CB ILE A 66 -4.719 -5.132 -2.207 1.00 50.23 C ATOM 963 CG1 ILE A 66 -6.094 -4.460 -1.926 1.00 34.11 C ATOM 964 CG2 ILE A 66 -3.872 -5.071 -0.949 1.00 34.51 C ATOM 965 CD1 ILE A 66 -7.206 -4.771 -2.922 1.00 45.14 C ATOM 0 H ILE A 66 -4.893 -5.572 -4.909 1.00 52.31 H new ATOM 0 HA ILE A 66 -3.790 -3.444 -3.202 1.00 44.24 H new ATOM 0 HB ILE A 66 -4.915 -6.167 -2.486 1.00 50.23 H new ATOM 0 HG12 ILE A 66 -6.428 -4.762 -0.933 1.00 34.11 H new ATOM 0 HG13 ILE A 66 -5.949 -3.380 -1.899 1.00 34.11 H new ATOM 0 HG21 ILE A 66 -4.423 -5.511 -0.118 1.00 34.51 H new ATOM 0 HG22 ILE A 66 -2.947 -5.626 -1.106 1.00 34.51 H new ATOM 0 HG23 ILE A 66 -3.637 -4.032 -0.719 1.00 34.51 H new ATOM 0 HD11 ILE A 66 -8.116 -4.249 -2.626 1.00 45.14 H new ATOM 0 HD12 ILE A 66 -6.906 -4.441 -3.917 1.00 45.14 H new ATOM 0 HD13 ILE A 66 -7.392 -5.845 -2.936 1.00 45.14 H new ATOM 977 N PRO A 67 -1.487 -4.653 -3.334 1.00 41.24 N ATOM 978 CA PRO A 67 -0.203 -5.341 -3.448 1.00 20.40 C ATOM 979 C PRO A 67 -0.143 -6.561 -2.526 1.00 35.14 C ATOM 980 O PRO A 67 -0.394 -6.450 -1.330 1.00 41.52 O ATOM 981 CB PRO A 67 0.809 -4.294 -2.986 1.00 2.14 C ATOM 982 CG PRO A 67 0.115 -2.994 -3.153 1.00 71.53 C ATOM 983 CD PRO A 67 -1.330 -3.264 -2.881 1.00 63.22 C ATOM 0 HA PRO A 67 -0.021 -5.710 -4.457 1.00 20.40 H new ATOM 0 HB2 PRO A 67 1.100 -4.456 -1.948 1.00 2.14 H new ATOM 0 HB3 PRO A 67 1.720 -4.335 -3.582 1.00 2.14 H new ATOM 0 HG2 PRO A 67 0.510 -2.249 -2.463 1.00 71.53 H new ATOM 0 HG3 PRO A 67 0.256 -2.602 -4.160 1.00 71.53 H new ATOM 0 HD2 PRO A 67 -1.571 -3.153 -1.824 1.00 63.22 H new ATOM 0 HD3 PRO A 67 -1.980 -2.583 -3.430 1.00 63.22 H new ATOM 991 N GLN A 68 0.215 -7.715 -3.087 1.00 13.23 N ATOM 992 CA GLN A 68 0.291 -8.971 -2.339 1.00 35.25 C ATOM 993 C GLN A 68 1.302 -8.898 -1.204 1.00 34.13 C ATOM 994 O GLN A 68 1.161 -9.559 -0.189 1.00 44.31 O ATOM 995 CB GLN A 68 0.617 -10.090 -3.311 1.00 63.13 C ATOM 996 CG GLN A 68 0.929 -11.440 -2.703 1.00 43.43 C ATOM 997 CD GLN A 68 0.988 -12.525 -3.748 1.00 44.12 C ATOM 998 OE1 GLN A 68 0.166 -12.405 -4.773 1.00 55.41 O flip ATOM 999 NE2 GLN A 68 1.736 -13.483 -3.620 1.00 72.10 N flip ATOM 0 H GLN A 68 0.461 -7.807 -4.073 1.00 13.23 H new ATOM 0 HA GLN A 68 -0.672 -9.167 -1.867 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -0.227 -10.208 -3.991 1.00 63.13 H new ATOM 0 HB3 GLN A 68 1.471 -9.781 -3.914 1.00 63.13 H new ATOM 0 HG2 GLN A 68 1.882 -11.390 -2.177 1.00 43.43 H new ATOM 0 HG3 GLN A 68 0.169 -11.690 -1.963 1.00 43.43 H new ATOM 0 HE21 GLN A 68 2.358 -13.540 -2.813 1.00 72.10 H new ATOM 0 HE22 GLN A 68 1.739 -14.225 -4.320 1.00 72.10 H new ATOM 1008 N VAL A 69 2.277 -8.048 -1.380 1.00 14.13 N ATOM 1009 CA VAL A 69 3.325 -7.835 -0.403 1.00 52.42 C ATOM 1010 C VAL A 69 2.786 -7.230 0.908 1.00 33.54 C ATOM 1011 O VAL A 69 3.423 -7.335 1.929 1.00 64.21 O ATOM 1012 CB VAL A 69 4.442 -6.948 -0.988 1.00 31.01 C ATOM 1013 CG1 VAL A 69 5.124 -7.662 -2.149 1.00 34.13 C ATOM 1014 CG2 VAL A 69 3.877 -5.610 -1.454 1.00 74.30 C ATOM 0 H VAL A 69 2.372 -7.472 -2.217 1.00 14.13 H new ATOM 0 HA VAL A 69 3.740 -8.813 -0.161 1.00 52.42 H new ATOM 0 HB VAL A 69 5.178 -6.759 -0.206 1.00 31.01 H new ATOM 0 HG11 VAL A 69 5.911 -7.027 -2.555 1.00 34.13 H new ATOM 0 HG12 VAL A 69 5.558 -8.597 -1.796 1.00 34.13 H new ATOM 0 HG13 VAL A 69 4.391 -7.873 -2.927 1.00 34.13 H new ATOM 0 HG21 VAL A 69 4.681 -4.998 -1.864 1.00 74.30 H new ATOM 0 HG22 VAL A 69 3.124 -5.781 -2.223 1.00 74.30 H new ATOM 0 HG23 VAL A 69 3.422 -5.093 -0.609 1.00 74.30 H new ATOM 1024 N PHE A 70 1.584 -6.633 0.858 1.00 34.30 N ATOM 1025 CA PHE A 70 0.932 -6.057 2.046 1.00 62.34 C ATOM 1026 C PHE A 70 0.396 -7.163 2.957 1.00 42.11 C ATOM 1027 O PHE A 70 -0.026 -6.915 4.097 1.00 60.20 O ATOM 1028 CB PHE A 70 -0.211 -5.092 1.643 1.00 3.22 C ATOM 1029 CG PHE A 70 0.225 -3.670 1.324 1.00 72.13 C ATOM 1030 CD1 PHE A 70 1.275 -3.408 0.468 1.00 13.03 C ATOM 1031 CD2 PHE A 70 -0.412 -2.598 1.926 1.00 23.23 C ATOM 1032 CE1 PHE A 70 1.674 -2.106 0.211 1.00 74.51 C ATOM 1033 CE2 PHE A 70 -0.021 -1.301 1.683 1.00 2.31 C ATOM 1034 CZ PHE A 70 1.018 -1.049 0.825 1.00 2.14 C ATOM 0 H PHE A 70 1.040 -6.536 0.000 1.00 34.30 H new ATOM 0 HA PHE A 70 1.682 -5.486 2.594 1.00 62.34 H new ATOM 0 HB2 PHE A 70 -0.722 -5.503 0.772 1.00 3.22 H new ATOM 0 HB3 PHE A 70 -0.940 -5.059 2.453 1.00 3.22 H new ATOM 0 HD1 PHE A 70 1.792 -4.228 -0.008 1.00 13.03 H new ATOM 0 HD2 PHE A 70 -1.234 -2.784 2.601 1.00 23.23 H new ATOM 0 HE1 PHE A 70 2.494 -1.915 -0.466 1.00 74.51 H new ATOM 0 HE2 PHE A 70 -0.532 -0.483 2.168 1.00 2.31 H new ATOM 0 HZ PHE A 70 1.324 -0.032 0.628 1.00 2.14 H new ATOM 1044 N PHE A 71 0.419 -8.370 2.452 1.00 22.03 N ATOM 1045 CA PHE A 71 -0.026 -9.516 3.178 1.00 12.24 C ATOM 1046 C PHE A 71 1.147 -10.429 3.445 1.00 34.12 C ATOM 1047 O PHE A 71 2.198 -10.315 2.807 1.00 14.22 O ATOM 1048 CB PHE A 71 -1.088 -10.295 2.387 1.00 33.50 C ATOM 1049 CG PHE A 71 -2.364 -9.549 2.124 1.00 12.11 C ATOM 1050 CD1 PHE A 71 -2.511 -8.784 0.986 1.00 4.32 C ATOM 1051 CD2 PHE A 71 -3.420 -9.627 3.009 1.00 61.30 C ATOM 1052 CE1 PHE A 71 -3.685 -8.112 0.736 1.00 43.35 C ATOM 1053 CE2 PHE A 71 -4.599 -8.958 2.765 1.00 45.22 C ATOM 1054 CZ PHE A 71 -4.731 -8.198 1.628 1.00 10.31 C ATOM 0 H PHE A 71 0.753 -8.580 1.511 1.00 22.03 H new ATOM 0 HA PHE A 71 -0.466 -9.174 4.115 1.00 12.24 H new ATOM 0 HB2 PHE A 71 -0.658 -10.596 1.432 1.00 33.50 H new ATOM 0 HB3 PHE A 71 -1.326 -11.209 2.931 1.00 33.50 H new ATOM 0 HD1 PHE A 71 -1.695 -8.712 0.283 1.00 4.32 H new ATOM 0 HD2 PHE A 71 -3.321 -10.221 3.906 1.00 61.30 H new ATOM 0 HE1 PHE A 71 -3.787 -7.517 -0.160 1.00 43.35 H new ATOM 0 HE2 PHE A 71 -5.418 -9.031 3.466 1.00 45.22 H new ATOM 0 HZ PHE A 71 -5.653 -7.669 1.434 1.00 10.31 H new ATOM 1064 N THR A 72 0.971 -11.300 4.384 1.00 21.41 N ATOM 1065 CA THR A 72 1.930 -12.306 4.707 1.00 25.40 C ATOM 1066 C THR A 72 1.733 -13.485 3.753 1.00 22.35 C ATOM 1067 O THR A 72 0.789 -13.474 2.939 1.00 3.00 O ATOM 1068 CB THR A 72 1.736 -12.759 6.168 1.00 63.24 C ATOM 1069 OG1 THR A 72 0.377 -13.218 6.369 1.00 23.51 O ATOM 1070 CG2 THR A 72 2.019 -11.608 7.119 1.00 50.31 C ATOM 0 H THR A 72 0.133 -11.333 4.964 1.00 21.41 H new ATOM 0 HA THR A 72 2.941 -11.913 4.601 1.00 25.40 H new ATOM 0 HB THR A 72 2.431 -13.574 6.371 1.00 63.24 H new ATOM 0 HG1 THR A 72 0.263 -13.505 7.299 1.00 23.51 H new ATOM 0 HG21 THR A 72 1.878 -11.942 8.147 1.00 50.31 H new ATOM 0 HG22 THR A 72 3.046 -11.270 6.985 1.00 50.31 H new ATOM 0 HG23 THR A 72 1.336 -10.785 6.908 1.00 50.31 H new ATOM 1078 N ASN A 73 2.586 -14.501 3.838 1.00 70.35 N ATOM 1079 CA ASN A 73 2.483 -15.695 2.964 1.00 54.35 C ATOM 1080 C ASN A 73 1.153 -16.426 3.188 1.00 64.33 C ATOM 1081 O ASN A 73 0.691 -17.187 2.331 1.00 10.52 O ATOM 1082 CB ASN A 73 3.650 -16.695 3.193 1.00 2.31 C ATOM 1083 CG ASN A 73 5.043 -16.147 2.890 1.00 12.21 C ATOM 1084 OD1 ASN A 73 5.322 -14.966 3.078 1.00 53.44 O ATOM 1085 ND2 ASN A 73 5.925 -16.999 2.426 1.00 54.21 N ATOM 0 H ASN A 73 3.362 -14.534 4.500 1.00 70.35 H new ATOM 0 HA ASN A 73 2.537 -15.329 1.939 1.00 54.35 H new ATOM 0 HB2 ASN A 73 3.625 -17.027 4.231 1.00 2.31 H new ATOM 0 HB3 ASN A 73 3.480 -17.575 2.573 1.00 2.31 H new ATOM 0 HD21 ASN A 73 6.872 -16.687 2.211 1.00 54.21 H new ATOM 0 HD22 ASN A 73 5.664 -17.974 2.280 1.00 54.21 H new ATOM 1092 N SER A 74 0.553 -16.196 4.346 1.00 62.42 N ATOM 1093 CA SER A 74 -0.718 -16.785 4.717 1.00 73.33 C ATOM 1094 C SER A 74 -1.883 -15.997 4.073 1.00 2.42 C ATOM 1095 O SER A 74 -3.037 -16.435 4.086 1.00 2.44 O ATOM 1096 CB SER A 74 -0.841 -16.786 6.261 1.00 61.44 C ATOM 1097 OG SER A 74 -2.006 -17.457 6.712 1.00 44.43 O ATOM 0 H SER A 74 0.944 -15.585 5.063 1.00 62.42 H new ATOM 0 HA SER A 74 -0.768 -17.811 4.353 1.00 73.33 H new ATOM 0 HB2 SER A 74 0.039 -17.263 6.692 1.00 61.44 H new ATOM 0 HB3 SER A 74 -0.855 -15.758 6.622 1.00 61.44 H new ATOM 0 HG SER A 74 -2.749 -17.269 6.101 1.00 44.43 H new ATOM 1103 N GLY A 75 -1.573 -14.847 3.504 1.00 61.53 N ATOM 1104 CA GLY A 75 -2.593 -14.031 2.892 1.00 74.43 C ATOM 1105 C GLY A 75 -3.323 -13.191 3.910 1.00 21.35 C ATOM 1106 O GLY A 75 -4.468 -12.809 3.704 1.00 25.14 O ATOM 0 H GLY A 75 -0.629 -14.463 3.455 1.00 61.53 H new ATOM 0 HA2 GLY A 75 -2.139 -13.382 2.143 1.00 74.43 H new ATOM 0 HA3 GLY A 75 -3.305 -14.670 2.370 1.00 74.43 H new ATOM 1110 N GLN A 76 -2.664 -12.919 5.017 1.00 34.23 N ATOM 1111 CA GLN A 76 -3.239 -12.103 6.061 1.00 63.12 C ATOM 1112 C GLN A 76 -2.449 -10.805 6.137 1.00 13.23 C ATOM 1113 O GLN A 76 -1.284 -10.787 5.773 1.00 52.35 O ATOM 1114 CB GLN A 76 -3.186 -12.836 7.411 1.00 52.11 C ATOM 1115 CG GLN A 76 -3.857 -12.070 8.542 1.00 30.34 C ATOM 1116 CD GLN A 76 -3.770 -12.747 9.888 1.00 43.02 C ATOM 1117 OE1 GLN A 76 -2.806 -13.457 10.202 1.00 1.02 O ATOM 1118 NE2 GLN A 76 -4.768 -12.539 10.698 1.00 32.32 N ATOM 0 H GLN A 76 -1.722 -13.255 5.216 1.00 34.23 H new ATOM 0 HA GLN A 76 -4.285 -11.896 5.835 1.00 63.12 H new ATOM 0 HB2 GLN A 76 -3.666 -13.809 7.307 1.00 52.11 H new ATOM 0 HB3 GLN A 76 -2.145 -13.021 7.675 1.00 52.11 H new ATOM 0 HG2 GLN A 76 -3.403 -11.082 8.615 1.00 30.34 H new ATOM 0 HG3 GLN A 76 -4.907 -11.920 8.291 1.00 30.34 H new ATOM 0 HE21 GLN A 76 -5.547 -11.948 10.407 1.00 32.32 H new ATOM 0 HE22 GLN A 76 -4.771 -12.967 11.624 1.00 32.32 H new ATOM 1127 N VAL A 77 -3.078 -9.739 6.571 1.00 1.21 N ATOM 1128 CA VAL A 77 -2.413 -8.453 6.711 1.00 54.15 C ATOM 1129 C VAL A 77 -1.283 -8.527 7.744 1.00 10.30 C ATOM 1130 O VAL A 77 -1.438 -9.145 8.802 1.00 2.34 O ATOM 1131 CB VAL A 77 -3.437 -7.333 7.078 1.00 62.42 C ATOM 1132 CG1 VAL A 77 -2.745 -6.066 7.534 1.00 62.45 C ATOM 1133 CG2 VAL A 77 -4.312 -7.020 5.881 1.00 44.23 C ATOM 0 H VAL A 77 -4.062 -9.732 6.838 1.00 1.21 H new ATOM 0 HA VAL A 77 -1.968 -8.198 5.749 1.00 54.15 H new ATOM 0 HB VAL A 77 -4.047 -7.704 7.902 1.00 62.42 H new ATOM 0 HG11 VAL A 77 -3.492 -5.312 7.780 1.00 62.45 H new ATOM 0 HG12 VAL A 77 -2.140 -6.279 8.416 1.00 62.45 H new ATOM 0 HG13 VAL A 77 -2.103 -5.694 6.735 1.00 62.45 H new ATOM 0 HG21 VAL A 77 -5.024 -6.238 6.145 1.00 44.23 H new ATOM 0 HG22 VAL A 77 -3.689 -6.680 5.054 1.00 44.23 H new ATOM 0 HG23 VAL A 77 -4.854 -7.917 5.582 1.00 44.23 H new ATOM 1143 N VAL A 78 -0.140 -7.948 7.395 1.00 0.33 N ATOM 1144 CA VAL A 78 1.002 -7.883 8.284 1.00 13.20 C ATOM 1145 C VAL A 78 0.632 -7.012 9.494 1.00 3.33 C ATOM 1146 O VAL A 78 0.122 -5.917 9.325 1.00 72.52 O ATOM 1147 CB VAL A 78 2.239 -7.251 7.562 1.00 44.51 C ATOM 1148 CG1 VAL A 78 3.485 -7.292 8.439 1.00 21.42 C ATOM 1149 CG2 VAL A 78 2.509 -7.926 6.226 1.00 71.34 C ATOM 0 H VAL A 78 0.016 -7.512 6.486 1.00 0.33 H new ATOM 0 HA VAL A 78 1.263 -8.894 8.597 1.00 13.20 H new ATOM 0 HB VAL A 78 1.994 -6.206 7.373 1.00 44.51 H new ATOM 0 HG11 VAL A 78 4.322 -6.844 7.903 1.00 21.42 H new ATOM 0 HG12 VAL A 78 3.302 -6.734 9.357 1.00 21.42 H new ATOM 0 HG13 VAL A 78 3.723 -8.327 8.685 1.00 21.42 H new ATOM 0 HG21 VAL A 78 3.374 -7.462 5.752 1.00 71.34 H new ATOM 0 HG22 VAL A 78 2.708 -8.985 6.387 1.00 71.34 H new ATOM 0 HG23 VAL A 78 1.638 -7.815 5.580 1.00 71.34 H new ATOM 1159 N LYS A 79 0.903 -7.495 10.696 1.00 45.44 N ATOM 1160 CA LYS A 79 0.567 -6.779 11.951 1.00 22.22 C ATOM 1161 C LYS A 79 1.168 -5.357 12.037 1.00 24.33 C ATOM 1162 O LYS A 79 0.677 -4.503 12.779 1.00 24.10 O ATOM 1163 CB LYS A 79 0.952 -7.592 13.202 1.00 60.14 C ATOM 1164 CG LYS A 79 2.429 -7.638 13.486 1.00 61.13 C ATOM 1165 CD LYS A 79 3.210 -8.503 12.505 1.00 33.15 C ATOM 1166 CE LYS A 79 4.702 -8.474 12.787 1.00 50.01 C ATOM 1167 NZ LYS A 79 5.035 -8.990 14.128 1.00 10.54 N ATOM 0 H LYS A 79 1.362 -8.393 10.846 1.00 45.44 H new ATOM 0 HA LYS A 79 -0.517 -6.665 11.924 1.00 22.22 H new ATOM 0 HB2 LYS A 79 0.442 -7.168 14.067 1.00 60.14 H new ATOM 0 HB3 LYS A 79 0.586 -8.612 13.084 1.00 60.14 H new ATOM 0 HG2 LYS A 79 2.827 -6.624 13.461 1.00 61.13 H new ATOM 0 HG3 LYS A 79 2.585 -8.017 14.496 1.00 61.13 H new ATOM 0 HD2 LYS A 79 2.850 -9.530 12.561 1.00 33.15 H new ATOM 0 HD3 LYS A 79 3.026 -8.155 11.488 1.00 33.15 H new ATOM 0 HE2 LYS A 79 5.222 -9.066 12.034 1.00 50.01 H new ATOM 0 HE3 LYS A 79 5.066 -7.451 12.695 1.00 50.01 H new ATOM 0 HZ1 LYS A 79 6.066 -9.092 14.214 1.00 10.54 H new ATOM 0 HZ2 LYS A 79 4.691 -8.326 14.851 1.00 10.54 H new ATOM 0 HZ3 LYS A 79 4.583 -9.916 14.266 1.00 10.54 H new ATOM 1181 N SER A 80 2.210 -5.112 11.283 1.00 54.23 N ATOM 1182 CA SER A 80 2.889 -3.837 11.312 1.00 62.21 C ATOM 1183 C SER A 80 2.348 -2.912 10.200 1.00 4.32 C ATOM 1184 O SER A 80 2.592 -1.699 10.207 1.00 11.54 O ATOM 1185 CB SER A 80 4.397 -4.073 11.167 1.00 11.34 C ATOM 1186 OG SER A 80 5.154 -2.904 11.392 1.00 34.01 O ATOM 0 H SER A 80 2.612 -5.787 10.633 1.00 54.23 H new ATOM 0 HA SER A 80 2.703 -3.338 12.263 1.00 62.21 H new ATOM 0 HB2 SER A 80 4.709 -4.845 11.871 1.00 11.34 H new ATOM 0 HB3 SER A 80 4.607 -4.450 10.166 1.00 11.34 H new ATOM 0 HG SER A 80 6.105 -3.136 11.448 1.00 34.01 H new ATOM 1192 N LEU A 81 1.547 -3.479 9.292 1.00 21.43 N ATOM 1193 CA LEU A 81 1.008 -2.733 8.163 1.00 73.04 C ATOM 1194 C LEU A 81 0.140 -1.539 8.622 1.00 21.40 C ATOM 1195 O LEU A 81 0.435 -0.397 8.249 1.00 61.24 O ATOM 1196 CB LEU A 81 0.222 -3.635 7.210 1.00 72.54 C ATOM 1197 CG LEU A 81 -0.297 -2.955 5.962 1.00 50.44 C ATOM 1198 CD1 LEU A 81 0.851 -2.553 5.067 1.00 72.41 C ATOM 1199 CD2 LEU A 81 -1.266 -3.838 5.236 1.00 23.40 C ATOM 0 H LEU A 81 1.260 -4.457 9.322 1.00 21.43 H new ATOM 0 HA LEU A 81 1.863 -2.333 7.618 1.00 73.04 H new ATOM 0 HB2 LEU A 81 0.861 -4.467 6.913 1.00 72.54 H new ATOM 0 HB3 LEU A 81 -0.623 -4.060 7.751 1.00 72.54 H new ATOM 0 HG LEU A 81 -0.831 -2.052 6.257 1.00 50.44 H new ATOM 0 HD11 LEU A 81 0.462 -2.065 4.173 1.00 72.41 H new ATOM 0 HD12 LEU A 81 1.505 -1.864 5.601 1.00 72.41 H new ATOM 0 HD13 LEU A 81 1.416 -3.440 4.779 1.00 72.41 H new ATOM 0 HD21 LEU A 81 -1.625 -3.327 4.343 1.00 23.40 H new ATOM 0 HD22 LEU A 81 -0.769 -4.765 4.949 1.00 23.40 H new ATOM 0 HD23 LEU A 81 -2.110 -4.065 5.888 1.00 23.40 H new ATOM 1211 N PRO A 82 -0.924 -1.755 9.479 1.00 51.40 N ATOM 1212 CA PRO A 82 -1.769 -0.658 9.969 1.00 55.31 C ATOM 1213 C PRO A 82 -0.948 0.407 10.696 1.00 52.24 C ATOM 1214 O PRO A 82 -1.294 1.588 10.681 1.00 63.14 O ATOM 1215 CB PRO A 82 -2.735 -1.344 10.955 1.00 62.50 C ATOM 1216 CG PRO A 82 -2.107 -2.656 11.260 1.00 15.23 C ATOM 1217 CD PRO A 82 -1.402 -3.055 10.010 1.00 1.52 C ATOM 0 HA PRO A 82 -2.276 -0.141 9.154 1.00 55.31 H new ATOM 0 HB2 PRO A 82 -2.864 -0.749 11.859 1.00 62.50 H new ATOM 0 HB3 PRO A 82 -3.723 -1.473 10.514 1.00 62.50 H new ATOM 0 HG2 PRO A 82 -1.411 -2.574 12.095 1.00 15.23 H new ATOM 0 HG3 PRO A 82 -2.857 -3.395 11.541 1.00 15.23 H new ATOM 0 HD2 PRO A 82 -0.577 -3.739 10.210 1.00 1.52 H new ATOM 0 HD3 PRO A 82 -2.070 -3.558 9.311 1.00 1.52 H new ATOM 1225 N GLY A 83 0.165 -0.014 11.281 1.00 73.05 N ATOM 1226 CA GLY A 83 1.005 0.890 12.014 1.00 40.03 C ATOM 1227 C GLY A 83 1.698 1.880 11.105 1.00 72.24 C ATOM 1228 O GLY A 83 1.682 3.093 11.375 1.00 70.45 O ATOM 0 H GLY A 83 0.497 -0.978 11.256 1.00 73.05 H new ATOM 0 HA2 GLY A 83 0.405 1.429 12.747 1.00 40.03 H new ATOM 0 HA3 GLY A 83 1.752 0.322 12.569 1.00 40.03 H new ATOM 1232 N LEU A 84 2.255 1.387 9.999 1.00 75.22 N ATOM 1233 CA LEU A 84 2.943 2.255 9.050 1.00 74.42 C ATOM 1234 C LEU A 84 1.935 3.165 8.358 1.00 13.35 C ATOM 1235 O LEU A 84 2.175 4.354 8.161 1.00 73.54 O ATOM 1236 CB LEU A 84 3.798 1.443 8.030 1.00 22.33 C ATOM 1237 CG LEU A 84 3.088 0.785 6.826 1.00 20.04 C ATOM 1238 CD1 LEU A 84 3.040 1.734 5.620 1.00 4.02 C ATOM 1239 CD2 LEU A 84 3.761 -0.526 6.459 1.00 35.41 C ATOM 0 H LEU A 84 2.243 0.400 9.742 1.00 75.22 H new ATOM 0 HA LEU A 84 3.647 2.879 9.601 1.00 74.42 H new ATOM 0 HB2 LEU A 84 4.566 2.110 7.637 1.00 22.33 H new ATOM 0 HB3 LEU A 84 4.312 0.656 8.582 1.00 22.33 H new ATOM 0 HG LEU A 84 2.060 0.572 7.118 1.00 20.04 H new ATOM 0 HD11 LEU A 84 2.534 1.242 4.789 1.00 4.02 H new ATOM 0 HD12 LEU A 84 2.496 2.639 5.891 1.00 4.02 H new ATOM 0 HD13 LEU A 84 4.055 1.996 5.323 1.00 4.02 H new ATOM 0 HD21 LEU A 84 3.246 -0.974 5.609 1.00 35.41 H new ATOM 0 HD22 LEU A 84 4.802 -0.339 6.196 1.00 35.41 H new ATOM 0 HD23 LEU A 84 3.718 -1.207 7.309 1.00 35.41 H new ATOM 1251 N LEU A 85 0.791 2.600 8.026 1.00 22.11 N ATOM 1252 CA LEU A 85 -0.254 3.330 7.337 1.00 54.20 C ATOM 1253 C LEU A 85 -0.754 4.488 8.185 1.00 24.33 C ATOM 1254 O LEU A 85 -0.881 5.614 7.707 1.00 13.53 O ATOM 1255 CB LEU A 85 -1.414 2.394 6.987 1.00 74.13 C ATOM 1256 CG LEU A 85 -1.064 1.179 6.122 1.00 31.03 C ATOM 1257 CD1 LEU A 85 -2.286 0.319 5.882 1.00 54.50 C ATOM 1258 CD2 LEU A 85 -0.436 1.604 4.810 1.00 33.21 C ATOM 0 H LEU A 85 0.561 1.627 8.225 1.00 22.11 H new ATOM 0 HA LEU A 85 0.164 3.734 6.415 1.00 54.20 H new ATOM 0 HB2 LEU A 85 -1.859 2.037 7.916 1.00 74.13 H new ATOM 0 HB3 LEU A 85 -2.179 2.974 6.470 1.00 74.13 H new ATOM 0 HG LEU A 85 -0.331 0.583 6.665 1.00 31.03 H new ATOM 0 HD11 LEU A 85 -2.013 -0.537 5.266 1.00 54.50 H new ATOM 0 HD12 LEU A 85 -2.678 -0.031 6.837 1.00 54.50 H new ATOM 0 HD13 LEU A 85 -3.049 0.906 5.370 1.00 54.50 H new ATOM 0 HD21 LEU A 85 -0.198 0.721 4.217 1.00 33.21 H new ATOM 0 HD22 LEU A 85 -1.135 2.233 4.259 1.00 33.21 H new ATOM 0 HD23 LEU A 85 0.478 2.164 5.009 1.00 33.21 H new ATOM 1270 N THR A 86 -0.965 4.220 9.449 1.00 71.51 N ATOM 1271 CA THR A 86 -1.521 5.219 10.349 1.00 74.12 C ATOM 1272 C THR A 86 -0.511 6.366 10.646 1.00 2.01 C ATOM 1273 O THR A 86 -0.906 7.536 10.769 1.00 60.43 O ATOM 1274 CB THR A 86 -2.055 4.565 11.652 1.00 65.52 C ATOM 1275 OG1 THR A 86 -2.980 3.510 11.295 1.00 11.11 O ATOM 1276 CG2 THR A 86 -2.786 5.581 12.524 1.00 51.32 C ATOM 0 H THR A 86 -0.763 3.321 9.885 1.00 71.51 H new ATOM 0 HA THR A 86 -2.369 5.677 9.841 1.00 74.12 H new ATOM 0 HB THR A 86 -1.208 4.173 12.215 1.00 65.52 H new ATOM 0 HG1 THR A 86 -2.492 2.782 10.857 1.00 11.11 H new ATOM 0 HG21 THR A 86 -3.147 5.091 13.428 1.00 51.32 H new ATOM 0 HG22 THR A 86 -2.103 6.386 12.796 1.00 51.32 H new ATOM 0 HG23 THR A 86 -3.631 5.993 11.972 1.00 51.32 H new ATOM 1284 N ILE A 87 0.784 6.049 10.718 1.00 34.03 N ATOM 1285 CA ILE A 87 1.783 7.085 10.964 1.00 44.42 C ATOM 1286 C ILE A 87 1.891 8.038 9.754 1.00 12.13 C ATOM 1287 O ILE A 87 1.865 9.264 9.916 1.00 5.13 O ATOM 1288 CB ILE A 87 3.172 6.496 11.491 1.00 34.44 C ATOM 1289 CG1 ILE A 87 4.235 7.579 11.844 1.00 40.42 C ATOM 1290 CG2 ILE A 87 3.756 5.459 10.561 1.00 70.15 C ATOM 1291 CD1 ILE A 87 4.959 8.218 10.666 1.00 1.41 C ATOM 0 H ILE A 87 1.157 5.106 10.612 1.00 34.03 H new ATOM 0 HA ILE A 87 1.442 7.701 11.796 1.00 44.42 H new ATOM 0 HB ILE A 87 2.912 6.004 12.428 1.00 34.44 H new ATOM 0 HG12 ILE A 87 3.744 8.368 12.414 1.00 40.42 H new ATOM 0 HG13 ILE A 87 4.979 7.128 12.500 1.00 40.42 H new ATOM 0 HG21 ILE A 87 4.699 5.094 10.969 1.00 70.15 H new ATOM 0 HG22 ILE A 87 3.058 4.628 10.459 1.00 70.15 H new ATOM 0 HG23 ILE A 87 3.933 5.906 9.583 1.00 70.15 H new ATOM 0 HD11 ILE A 87 5.673 8.955 11.034 1.00 1.41 H new ATOM 0 HD12 ILE A 87 5.488 7.449 10.104 1.00 1.41 H new ATOM 0 HD13 ILE A 87 4.234 8.708 10.016 1.00 1.41 H new ATOM 1303 N LEU A 88 1.945 7.481 8.552 1.00 21.31 N ATOM 1304 CA LEU A 88 1.982 8.300 7.336 1.00 53.03 C ATOM 1305 C LEU A 88 0.682 9.056 7.116 1.00 23.41 C ATOM 1306 O LEU A 88 0.693 10.191 6.640 1.00 1.11 O ATOM 1307 CB LEU A 88 2.329 7.489 6.089 1.00 61.41 C ATOM 1308 CG LEU A 88 3.803 7.154 5.820 1.00 25.12 C ATOM 1309 CD1 LEU A 88 4.651 8.407 5.690 1.00 62.40 C ATOM 1310 CD2 LEU A 88 4.361 6.249 6.869 1.00 73.15 C ATOM 0 H LEU A 88 1.964 6.475 8.387 1.00 21.31 H new ATOM 0 HA LEU A 88 2.781 9.024 7.497 1.00 53.03 H new ATOM 0 HB2 LEU A 88 1.780 6.549 6.141 1.00 61.41 H new ATOM 0 HB3 LEU A 88 1.949 8.032 5.224 1.00 61.41 H new ATOM 0 HG LEU A 88 3.837 6.627 4.866 1.00 25.12 H new ATOM 0 HD11 LEU A 88 5.687 8.127 5.500 1.00 62.40 H new ATOM 0 HD12 LEU A 88 4.281 9.012 4.862 1.00 62.40 H new ATOM 0 HD13 LEU A 88 4.594 8.982 6.614 1.00 62.40 H new ATOM 0 HD21 LEU A 88 5.406 6.034 6.645 1.00 73.15 H new ATOM 0 HD22 LEU A 88 4.291 6.734 7.843 1.00 73.15 H new ATOM 0 HD23 LEU A 88 3.794 5.318 6.885 1.00 73.15 H new ATOM 1322 N HIS A 89 -0.434 8.432 7.467 1.00 43.42 N ATOM 1323 CA HIS A 89 -1.757 9.052 7.308 1.00 33.32 C ATOM 1324 C HIS A 89 -1.812 10.343 8.129 1.00 15.11 C ATOM 1325 O HIS A 89 -2.352 11.350 7.681 1.00 65.20 O ATOM 1326 CB HIS A 89 -2.875 8.078 7.747 1.00 62.21 C ATOM 1327 CG HIS A 89 -4.273 8.493 7.339 1.00 5.35 C ATOM 1328 ND1 HIS A 89 -5.120 7.708 6.580 1.00 43.51 N ATOM 1329 CD2 HIS A 89 -4.973 9.618 7.621 1.00 44.00 C ATOM 1330 CE1 HIS A 89 -6.273 8.368 6.433 1.00 13.31 C ATOM 1331 NE2 HIS A 89 -6.234 9.537 7.047 1.00 53.05 N ATOM 0 H HIS A 89 -0.457 7.493 7.866 1.00 43.42 H new ATOM 0 HA HIS A 89 -1.917 9.288 6.256 1.00 33.32 H new ATOM 0 HB2 HIS A 89 -2.666 7.094 7.327 1.00 62.21 H new ATOM 0 HB3 HIS A 89 -2.843 7.975 8.832 1.00 62.21 H new ATOM 0 HD2 HIS A 89 -4.606 10.450 8.203 1.00 44.00 H new ATOM 0 HE1 HIS A 89 -7.125 7.995 5.884 1.00 13.31 H new ATOM 0 HE2 HIS A 89 -6.976 10.235 7.090 1.00 53.05 H new ATOM 1339 N ASP A 90 -1.186 10.317 9.295 1.00 21.12 N ATOM 1340 CA ASP A 90 -1.118 11.488 10.180 1.00 10.30 C ATOM 1341 C ASP A 90 -0.350 12.635 9.512 1.00 45.32 C ATOM 1342 O ASP A 90 -0.645 13.805 9.729 1.00 1.10 O ATOM 1343 CB ASP A 90 -0.446 11.106 11.505 1.00 61.41 C ATOM 1344 CG ASP A 90 -0.255 12.283 12.446 1.00 35.54 C ATOM 1345 OD1 ASP A 90 0.806 12.958 12.381 1.00 2.13 O ATOM 1346 OD2 ASP A 90 -1.151 12.536 13.276 1.00 43.42 O ATOM 0 H ASP A 90 -0.710 9.492 9.661 1.00 21.12 H new ATOM 0 HA ASP A 90 -2.135 11.827 10.378 1.00 10.30 H new ATOM 0 HB2 ASP A 90 -1.048 10.346 12.003 1.00 61.41 H new ATOM 0 HB3 ASP A 90 0.525 10.657 11.295 1.00 61.41 H new ATOM 1351 N GLY A 91 0.596 12.279 8.659 1.00 74.44 N ATOM 1352 CA GLY A 91 1.392 13.271 7.956 1.00 22.11 C ATOM 1353 C GLY A 91 0.724 13.736 6.664 1.00 73.14 C ATOM 1354 O GLY A 91 1.252 14.597 5.951 1.00 22.42 O ATOM 0 H GLY A 91 0.831 11.312 8.437 1.00 74.44 H new ATOM 0 HA2 GLY A 91 1.557 14.129 8.607 1.00 22.11 H new ATOM 0 HA3 GLY A 91 2.372 12.852 7.726 1.00 22.11 H new ATOM 1358 N GLY A 92 -0.426 13.151 6.354 1.00 73.31 N ATOM 1359 CA GLY A 92 -1.168 13.523 5.167 1.00 62.23 C ATOM 1360 C GLY A 92 -0.648 12.841 3.918 1.00 72.11 C ATOM 1361 O GLY A 92 -0.562 13.458 2.849 1.00 60.25 O ATOM 0 H GLY A 92 -0.862 12.417 6.912 1.00 73.31 H new ATOM 0 HA2 GLY A 92 -2.219 13.268 5.305 1.00 62.23 H new ATOM 0 HA3 GLY A 92 -1.117 14.604 5.035 1.00 62.23 H new ATOM 1365 N TYR A 93 -0.284 11.589 4.044 1.00 55.45 N ATOM 1366 CA TYR A 93 0.225 10.835 2.924 1.00 3.44 C ATOM 1367 C TYR A 93 -0.840 9.922 2.329 1.00 14.14 C ATOM 1368 O TYR A 93 -1.406 9.077 3.019 1.00 34.10 O ATOM 1369 CB TYR A 93 1.460 10.025 3.320 1.00 71.23 C ATOM 1370 CG TYR A 93 2.700 10.856 3.606 1.00 23.21 C ATOM 1371 CD1 TYR A 93 2.881 11.502 4.821 1.00 3.23 C ATOM 1372 CD2 TYR A 93 3.690 10.982 2.652 1.00 10.35 C ATOM 1373 CE1 TYR A 93 4.016 12.250 5.068 1.00 42.22 C ATOM 1374 CE2 TYR A 93 4.823 11.720 2.890 1.00 43.34 C ATOM 1375 CZ TYR A 93 4.982 12.353 4.096 1.00 32.15 C ATOM 1376 OH TYR A 93 6.111 13.087 4.329 1.00 11.31 O ATOM 0 H TYR A 93 -0.331 11.066 4.919 1.00 55.45 H new ATOM 0 HA TYR A 93 0.515 11.555 2.159 1.00 3.44 H new ATOM 0 HB2 TYR A 93 1.222 9.435 4.205 1.00 71.23 H new ATOM 0 HB3 TYR A 93 1.688 9.321 2.520 1.00 71.23 H new ATOM 0 HD1 TYR A 93 2.123 11.419 5.585 1.00 3.23 H new ATOM 0 HD2 TYR A 93 3.571 10.490 1.698 1.00 10.35 H new ATOM 0 HE1 TYR A 93 4.143 12.750 6.017 1.00 42.22 H new ATOM 0 HE2 TYR A 93 5.586 11.802 2.130 1.00 43.34 H new ATOM 0 HH TYR A 93 6.750 12.550 4.842 1.00 11.31 H new ATOM 1386 N ARG A 94 -1.114 10.136 1.058 1.00 40.10 N ATOM 1387 CA ARG A 94 -2.046 9.327 0.272 1.00 32.12 C ATOM 1388 C ARG A 94 -1.449 7.937 0.002 1.00 64.21 C ATOM 1389 O ARG A 94 -0.247 7.707 0.223 1.00 54.44 O ATOM 1390 CB ARG A 94 -2.351 10.021 -1.074 1.00 34.11 C ATOM 1391 CG ARG A 94 -1.105 10.222 -1.906 1.00 2.52 C ATOM 1392 CD ARG A 94 -1.333 10.943 -3.216 1.00 32.33 C ATOM 1393 NE ARG A 94 -0.050 11.103 -3.938 1.00 35.43 N ATOM 1394 CZ ARG A 94 0.114 11.551 -5.182 1.00 52.23 C ATOM 1395 NH1 ARG A 94 -0.923 11.958 -5.909 1.00 24.04 N ATOM 1396 NH2 ARG A 94 1.340 11.602 -5.678 1.00 52.45 N ATOM 0 H ARG A 94 -0.689 10.893 0.523 1.00 40.10 H new ATOM 0 HA ARG A 94 -2.970 9.218 0.841 1.00 32.12 H new ATOM 0 HB2 ARG A 94 -3.068 9.423 -1.635 1.00 34.11 H new ATOM 0 HB3 ARG A 94 -2.820 10.987 -0.885 1.00 34.11 H new ATOM 0 HG2 ARG A 94 -0.378 10.784 -1.319 1.00 2.52 H new ATOM 0 HG3 ARG A 94 -0.662 9.248 -2.114 1.00 2.52 H new ATOM 0 HD2 ARG A 94 -2.038 10.383 -3.831 1.00 32.33 H new ATOM 0 HD3 ARG A 94 -1.779 11.920 -3.030 1.00 32.33 H new ATOM 0 HE ARG A 94 0.796 10.843 -3.430 1.00 35.43 H new ATOM 0 HH11 ARG A 94 -1.864 11.930 -5.516 1.00 24.04 H new ATOM 0 HH12 ARG A 94 -0.777 12.298 -6.860 1.00 24.04 H new ATOM 0 HH21 ARG A 94 2.133 11.302 -5.110 1.00 52.45 H new ATOM 0 HH22 ARG A 94 1.492 11.941 -6.628 1.00 52.45 H new ATOM 1410 N ASP A 95 -2.273 7.065 -0.550 1.00 40.12 N ATOM 1411 CA ASP A 95 -1.939 5.664 -0.873 1.00 3.25 C ATOM 1412 C ASP A 95 -0.686 5.582 -1.746 1.00 1.51 C ATOM 1413 O ASP A 95 0.244 4.798 -1.474 1.00 24.33 O ATOM 1414 CB ASP A 95 -3.130 5.052 -1.651 1.00 73.11 C ATOM 1415 CG ASP A 95 -3.484 5.859 -2.904 1.00 3.25 C ATOM 1416 OD1 ASP A 95 -4.118 6.927 -2.764 1.00 15.12 O ATOM 1417 OD2 ASP A 95 -3.052 5.493 -4.027 1.00 12.24 O ATOM 0 H ASP A 95 -3.231 7.309 -0.800 1.00 40.12 H new ATOM 0 HA ASP A 95 -1.748 5.122 0.053 1.00 3.25 H new ATOM 0 HB2 ASP A 95 -2.886 4.029 -1.938 1.00 73.11 H new ATOM 0 HB3 ASP A 95 -4.000 5.001 -0.997 1.00 73.11 H new ATOM 1422 N THR A 96 -0.648 6.432 -2.735 1.00 30.31 N ATOM 1423 CA THR A 96 0.404 6.509 -3.679 1.00 75.31 C ATOM 1424 C THR A 96 1.737 6.860 -2.981 1.00 31.53 C ATOM 1425 O THR A 96 2.782 6.286 -3.286 1.00 25.30 O ATOM 1426 CB THR A 96 0.031 7.547 -4.749 1.00 22.31 C ATOM 1427 OG1 THR A 96 -1.274 7.211 -5.316 1.00 72.00 O ATOM 1428 CG2 THR A 96 1.076 7.600 -5.847 1.00 61.13 C ATOM 0 H THR A 96 -1.387 7.115 -2.902 1.00 30.31 H new ATOM 0 HA THR A 96 0.544 5.541 -4.161 1.00 75.31 H new ATOM 0 HB THR A 96 -0.013 8.530 -4.280 1.00 22.31 H new ATOM 0 HG1 THR A 96 -1.689 6.501 -4.783 1.00 72.00 H new ATOM 0 HG21 THR A 96 0.786 8.343 -6.590 1.00 61.13 H new ATOM 0 HG22 THR A 96 2.040 7.873 -5.419 1.00 61.13 H new ATOM 0 HG23 THR A 96 1.154 6.622 -6.323 1.00 61.13 H new ATOM 1436 N GLU A 97 1.682 7.784 -2.029 1.00 41.51 N ATOM 1437 CA GLU A 97 2.874 8.201 -1.313 1.00 31.04 C ATOM 1438 C GLU A 97 3.423 7.089 -0.443 1.00 65.24 C ATOM 1439 O GLU A 97 4.629 6.964 -0.298 1.00 13.43 O ATOM 1440 CB GLU A 97 2.652 9.453 -0.489 1.00 2.53 C ATOM 1441 CG GLU A 97 2.241 10.657 -1.301 1.00 41.23 C ATOM 1442 CD GLU A 97 3.209 10.984 -2.393 1.00 52.22 C ATOM 1443 OE1 GLU A 97 4.308 11.452 -2.095 1.00 52.31 O ATOM 1444 OE2 GLU A 97 2.871 10.757 -3.575 1.00 72.31 O ATOM 0 H GLU A 97 0.826 8.256 -1.738 1.00 41.51 H new ATOM 0 HA GLU A 97 3.614 8.439 -2.077 1.00 31.04 H new ATOM 0 HB2 GLU A 97 1.884 9.252 0.258 1.00 2.53 H new ATOM 0 HB3 GLU A 97 3.569 9.688 0.051 1.00 2.53 H new ATOM 0 HG2 GLU A 97 1.258 10.476 -1.736 1.00 41.23 H new ATOM 0 HG3 GLU A 97 2.143 11.518 -0.640 1.00 41.23 H new ATOM 1451 N ILE A 98 2.533 6.264 0.109 1.00 41.23 N ATOM 1452 CA ILE A 98 2.956 5.161 0.974 1.00 42.24 C ATOM 1453 C ILE A 98 3.838 4.228 0.161 1.00 40.14 C ATOM 1454 O ILE A 98 4.943 3.870 0.560 1.00 14.11 O ATOM 1455 CB ILE A 98 1.743 4.322 1.500 1.00 42.54 C ATOM 1456 CG1 ILE A 98 0.675 5.184 2.176 1.00 13.31 C ATOM 1457 CG2 ILE A 98 2.203 3.235 2.453 1.00 40.31 C ATOM 1458 CD1 ILE A 98 1.185 6.075 3.275 1.00 14.41 C ATOM 0 H ILE A 98 1.524 6.336 -0.025 1.00 41.23 H new ATOM 0 HA ILE A 98 3.479 5.590 1.829 1.00 42.24 H new ATOM 0 HB ILE A 98 1.289 3.864 0.621 1.00 42.54 H new ATOM 0 HG12 ILE A 98 0.195 5.804 1.418 1.00 13.31 H new ATOM 0 HG13 ILE A 98 -0.094 4.529 2.586 1.00 13.31 H new ATOM 0 HG21 ILE A 98 1.340 2.668 2.802 1.00 40.31 H new ATOM 0 HG22 ILE A 98 2.892 2.566 1.937 1.00 40.31 H new ATOM 0 HG23 ILE A 98 2.709 3.689 3.306 1.00 40.31 H new ATOM 0 HD11 ILE A 98 0.357 6.647 3.694 1.00 14.41 H new ATOM 0 HD12 ILE A 98 1.637 5.465 4.057 1.00 14.41 H new ATOM 0 HD13 ILE A 98 1.931 6.760 2.872 1.00 14.41 H new ATOM 1470 N MET A 99 3.358 3.904 -1.014 1.00 2.31 N ATOM 1471 CA MET A 99 4.049 2.996 -1.897 1.00 71.21 C ATOM 1472 C MET A 99 5.264 3.651 -2.560 1.00 1.24 C ATOM 1473 O MET A 99 6.161 2.955 -3.030 1.00 62.53 O ATOM 1474 CB MET A 99 3.088 2.426 -2.933 1.00 4.34 C ATOM 1475 CG MET A 99 1.902 1.725 -2.313 1.00 74.34 C ATOM 1476 SD MET A 99 0.840 0.929 -3.516 1.00 43.33 S ATOM 1477 CE MET A 99 -0.497 0.425 -2.435 1.00 53.43 C ATOM 0 H MET A 99 2.478 4.262 -1.386 1.00 2.31 H new ATOM 0 HA MET A 99 4.430 2.173 -1.293 1.00 71.21 H new ATOM 0 HB2 MET A 99 2.732 3.233 -3.574 1.00 4.34 H new ATOM 0 HB3 MET A 99 3.625 1.725 -3.572 1.00 4.34 H new ATOM 0 HG2 MET A 99 2.260 0.978 -1.604 1.00 74.34 H new ATOM 0 HG3 MET A 99 1.317 2.449 -1.745 1.00 74.34 H new ATOM 0 HE1 MET A 99 -1.234 -0.139 -3.007 1.00 53.43 H new ATOM 0 HE2 MET A 99 -0.102 -0.201 -1.635 1.00 53.43 H new ATOM 0 HE3 MET A 99 -0.970 1.308 -2.005 1.00 53.43 H new ATOM 1487 N ARG A 100 5.295 4.986 -2.562 1.00 3.25 N ATOM 1488 CA ARG A 100 6.382 5.766 -3.168 1.00 55.52 C ATOM 1489 C ARG A 100 7.725 5.358 -2.571 1.00 12.12 C ATOM 1490 O ARG A 100 8.585 4.788 -3.257 1.00 70.42 O ATOM 1491 CB ARG A 100 6.129 7.258 -2.916 1.00 24.33 C ATOM 1492 CG ARG A 100 7.203 8.214 -3.409 1.00 34.12 C ATOM 1493 CD ARG A 100 6.866 9.632 -2.982 1.00 12.23 C ATOM 1494 NE ARG A 100 7.891 10.612 -3.365 1.00 35.34 N ATOM 1495 CZ ARG A 100 7.818 11.926 -3.091 1.00 13.23 C ATOM 1496 NH1 ARG A 100 6.705 12.450 -2.587 1.00 14.03 N ATOM 1497 NH2 ARG A 100 8.838 12.725 -3.365 1.00 40.20 N ATOM 0 H ARG A 100 4.564 5.561 -2.142 1.00 3.25 H new ATOM 0 HA ARG A 100 6.409 5.573 -4.240 1.00 55.52 H new ATOM 0 HB2 ARG A 100 5.185 7.530 -3.389 1.00 24.33 H new ATOM 0 HB3 ARG A 100 6.003 7.408 -1.844 1.00 24.33 H new ATOM 0 HG2 ARG A 100 8.173 7.924 -3.006 1.00 34.12 H new ATOM 0 HG3 ARG A 100 7.280 8.160 -4.495 1.00 34.12 H new ATOM 0 HD2 ARG A 100 5.913 9.921 -3.425 1.00 12.23 H new ATOM 0 HD3 ARG A 100 6.735 9.657 -1.900 1.00 12.23 H new ATOM 0 HE ARG A 100 8.710 10.274 -3.871 1.00 35.34 H new ATOM 0 HH11 ARG A 100 5.898 11.854 -2.405 1.00 14.03 H new ATOM 0 HH12 ARG A 100 6.659 13.448 -2.382 1.00 14.03 H new ATOM 0 HH21 ARG A 100 9.685 12.344 -3.786 1.00 40.20 H new ATOM 0 HH22 ARG A 100 8.776 13.721 -3.155 1.00 40.20 H new ATOM 1511 N TRP A 101 7.884 5.631 -1.299 1.00 10.22 N ATOM 1512 CA TRP A 101 9.101 5.304 -0.593 1.00 1.44 C ATOM 1513 C TRP A 101 9.289 3.799 -0.412 1.00 54.23 C ATOM 1514 O TRP A 101 10.410 3.308 -0.404 1.00 43.34 O ATOM 1515 CB TRP A 101 9.236 6.090 0.728 1.00 43.33 C ATOM 1516 CG TRP A 101 8.029 6.059 1.626 1.00 43.23 C ATOM 1517 CD1 TRP A 101 7.052 7.006 1.705 1.00 43.22 C ATOM 1518 CD2 TRP A 101 7.679 5.049 2.576 1.00 33.13 C ATOM 1519 NE1 TRP A 101 6.122 6.645 2.639 1.00 53.30 N ATOM 1520 CE2 TRP A 101 6.484 5.449 3.186 1.00 52.15 C ATOM 1521 CE3 TRP A 101 8.256 3.850 2.966 1.00 51.25 C ATOM 1522 CZ2 TRP A 101 5.861 4.686 4.162 1.00 63.55 C ATOM 1523 CZ3 TRP A 101 7.639 3.103 3.927 1.00 72.53 C ATOM 1524 CH2 TRP A 101 6.454 3.517 4.520 1.00 72.11 C ATOM 0 H TRP A 101 7.175 6.086 -0.724 1.00 10.22 H new ATOM 0 HA TRP A 101 9.926 5.630 -1.227 1.00 1.44 H new ATOM 0 HB2 TRP A 101 10.088 5.695 1.280 1.00 43.33 H new ATOM 0 HB3 TRP A 101 9.464 7.129 0.491 1.00 43.33 H new ATOM 0 HD1 TRP A 101 7.018 7.910 1.115 1.00 43.22 H new ATOM 0 HE1 TRP A 101 5.292 7.183 2.887 1.00 53.30 H new ATOM 0 HE3 TRP A 101 9.178 3.513 2.517 1.00 51.25 H new ATOM 0 HZ2 TRP A 101 4.938 5.009 4.621 1.00 63.55 H new ATOM 0 HZ3 TRP A 101 8.083 2.167 4.234 1.00 72.53 H new ATOM 0 HH2 TRP A 101 5.996 2.900 5.279 1.00 72.11 H new ATOM 1535 N LEU A 102 8.182 3.083 -0.278 1.00 14.34 N ATOM 1536 CA LEU A 102 8.202 1.642 -0.048 1.00 30.52 C ATOM 1537 C LEU A 102 8.777 0.839 -1.208 1.00 45.30 C ATOM 1538 O LEU A 102 9.555 -0.098 -0.989 1.00 13.25 O ATOM 1539 CB LEU A 102 6.784 1.143 0.227 1.00 33.32 C ATOM 1540 CG LEU A 102 6.312 1.077 1.661 1.00 51.43 C ATOM 1541 CD1 LEU A 102 4.858 0.693 1.707 1.00 4.54 C ATOM 1542 CD2 LEU A 102 7.122 0.070 2.423 1.00 63.11 C ATOM 0 H LEU A 102 7.245 3.482 -0.325 1.00 14.34 H new ATOM 0 HA LEU A 102 8.857 1.487 0.810 1.00 30.52 H new ATOM 0 HB2 LEU A 102 6.094 1.785 -0.321 1.00 33.32 H new ATOM 0 HB3 LEU A 102 6.695 0.143 -0.198 1.00 33.32 H new ATOM 0 HG LEU A 102 6.439 2.059 2.117 1.00 51.43 H new ATOM 0 HD11 LEU A 102 4.526 0.648 2.744 1.00 4.54 H new ATOM 0 HD12 LEU A 102 4.268 1.436 1.169 1.00 4.54 H new ATOM 0 HD13 LEU A 102 4.725 -0.283 1.241 1.00 4.54 H new ATOM 0 HD21 LEU A 102 6.775 0.030 3.455 1.00 63.11 H new ATOM 0 HD22 LEU A 102 7.008 -0.912 1.963 1.00 63.11 H new ATOM 0 HD23 LEU A 102 8.173 0.359 2.405 1.00 63.11 H new ATOM 1554 N PHE A 103 8.430 1.191 -2.422 1.00 71.21 N ATOM 1555 CA PHE A 103 8.842 0.377 -3.555 1.00 13.24 C ATOM 1556 C PHE A 103 10.174 0.769 -4.139 1.00 20.14 C ATOM 1557 O PHE A 103 10.757 0.013 -4.922 1.00 22.15 O ATOM 1558 CB PHE A 103 7.755 0.277 -4.628 1.00 20.31 C ATOM 1559 CG PHE A 103 6.604 -0.615 -4.233 1.00 25.20 C ATOM 1560 CD1 PHE A 103 5.563 -0.138 -3.457 1.00 55.21 C ATOM 1561 CD2 PHE A 103 6.577 -1.944 -4.631 1.00 41.53 C ATOM 1562 CE1 PHE A 103 4.515 -0.960 -3.091 1.00 61.43 C ATOM 1563 CE2 PHE A 103 5.531 -2.770 -4.265 1.00 10.25 C ATOM 1564 CZ PHE A 103 4.499 -2.275 -3.493 1.00 53.12 C ATOM 0 H PHE A 103 7.876 2.015 -2.655 1.00 71.21 H new ATOM 0 HA PHE A 103 8.987 -0.622 -3.145 1.00 13.24 H new ATOM 0 HB2 PHE A 103 7.374 1.275 -4.843 1.00 20.31 H new ATOM 0 HB3 PHE A 103 8.198 -0.101 -5.550 1.00 20.31 H new ATOM 0 HD1 PHE A 103 5.570 0.892 -3.133 1.00 55.21 H new ATOM 0 HD2 PHE A 103 7.382 -2.337 -5.234 1.00 41.53 H new ATOM 0 HE1 PHE A 103 3.708 -0.570 -2.489 1.00 61.43 H new ATOM 0 HE2 PHE A 103 5.521 -3.802 -4.583 1.00 10.25 H new ATOM 0 HZ PHE A 103 3.681 -2.919 -3.205 1.00 53.12 H new ATOM 1574 N THR A 104 10.669 1.897 -3.736 1.00 24.51 N ATOM 1575 CA THR A 104 11.931 2.378 -4.224 1.00 0.11 C ATOM 1576 C THR A 104 13.087 1.690 -3.443 1.00 62.22 C ATOM 1577 O THR A 104 13.145 1.789 -2.212 1.00 40.43 O ATOM 1578 CB THR A 104 11.997 3.921 -4.076 1.00 12.42 C ATOM 1579 OG1 THR A 104 10.843 4.516 -4.735 1.00 72.01 O ATOM 1580 CG2 THR A 104 13.271 4.479 -4.708 1.00 51.41 C ATOM 0 H THR A 104 10.214 2.512 -3.061 1.00 24.51 H new ATOM 0 HA THR A 104 12.036 2.133 -5.281 1.00 0.11 H new ATOM 0 HB THR A 104 11.998 4.165 -3.014 1.00 12.42 H new ATOM 0 HG1 THR A 104 10.093 4.560 -4.105 1.00 72.01 H new ATOM 0 HG21 THR A 104 13.291 5.562 -4.590 1.00 51.41 H new ATOM 0 HG22 THR A 104 14.141 4.044 -4.217 1.00 51.41 H new ATOM 0 HG23 THR A 104 13.290 4.229 -5.769 1.00 51.41 H new ATOM 1588 N PRO A 105 13.976 0.934 -4.147 1.00 41.40 N ATOM 1589 CA PRO A 105 15.105 0.238 -3.509 1.00 61.34 C ATOM 1590 C PRO A 105 16.085 1.227 -2.894 1.00 24.35 C ATOM 1591 O PRO A 105 16.520 2.190 -3.555 1.00 33.55 O ATOM 1592 CB PRO A 105 15.761 -0.536 -4.662 1.00 4.01 C ATOM 1593 CG PRO A 105 15.324 0.172 -5.899 1.00 23.42 C ATOM 1594 CD PRO A 105 13.954 0.711 -5.606 1.00 12.04 C ATOM 0 HA PRO A 105 14.787 -0.410 -2.692 1.00 61.34 H new ATOM 0 HB2 PRO A 105 16.847 -0.536 -4.570 1.00 4.01 H new ATOM 0 HB3 PRO A 105 15.442 -1.578 -4.670 1.00 4.01 H new ATOM 0 HG2 PRO A 105 16.014 0.977 -6.152 1.00 23.42 H new ATOM 0 HG3 PRO A 105 15.302 -0.508 -6.750 1.00 23.42 H new ATOM 0 HD2 PRO A 105 13.762 1.635 -6.150 1.00 12.04 H new ATOM 0 HD3 PRO A 105 13.175 0.004 -5.892 1.00 12.04 H new ATOM 1602 N ASP A 106 16.442 1.003 -1.659 1.00 12.22 N ATOM 1603 CA ASP A 106 17.286 1.939 -0.962 1.00 10.40 C ATOM 1604 C ASP A 106 18.712 1.458 -0.961 1.00 53.50 C ATOM 1605 O ASP A 106 18.992 0.346 -0.510 1.00 71.11 O ATOM 1606 CB ASP A 106 16.826 2.128 0.463 1.00 40.43 C ATOM 1607 CG ASP A 106 17.538 3.271 1.135 1.00 32.33 C ATOM 1608 OD1 ASP A 106 18.625 3.086 1.711 1.00 61.01 O ATOM 1609 OD2 ASP A 106 17.007 4.383 1.113 1.00 74.13 O ATOM 0 H ASP A 106 16.164 0.186 -1.116 1.00 12.22 H new ATOM 0 HA ASP A 106 17.222 2.894 -1.483 1.00 10.40 H new ATOM 0 HB2 ASP A 106 15.752 2.311 0.476 1.00 40.43 H new ATOM 0 HB3 ASP A 106 17.000 1.211 1.025 1.00 40.43 H new ATOM 1614 N PRO A 107 19.650 2.287 -1.437 1.00 52.43 N ATOM 1615 CA PRO A 107 21.059 1.915 -1.532 1.00 34.45 C ATOM 1616 C PRO A 107 21.701 1.575 -0.174 1.00 32.21 C ATOM 1617 O PRO A 107 22.669 0.812 -0.101 1.00 4.31 O ATOM 1618 CB PRO A 107 21.727 3.147 -2.167 1.00 45.04 C ATOM 1619 CG PRO A 107 20.786 4.270 -1.918 1.00 64.43 C ATOM 1620 CD PRO A 107 19.415 3.670 -1.911 1.00 2.43 C ATOM 0 HA PRO A 107 21.183 1.003 -2.116 1.00 34.45 H new ATOM 0 HB2 PRO A 107 22.701 3.342 -1.718 1.00 45.04 H new ATOM 0 HB3 PRO A 107 21.891 3.000 -3.234 1.00 45.04 H new ATOM 0 HG2 PRO A 107 21.003 4.757 -0.967 1.00 64.43 H new ATOM 0 HG3 PRO A 107 20.874 5.031 -2.693 1.00 64.43 H new ATOM 0 HD2 PRO A 107 18.742 4.213 -1.248 1.00 2.43 H new ATOM 0 HD3 PRO A 107 18.965 3.684 -2.904 1.00 2.43 H new ATOM 1628 N SER A 108 21.135 2.088 0.892 1.00 20.54 N ATOM 1629 CA SER A 108 21.701 1.909 2.198 1.00 1.51 C ATOM 1630 C SER A 108 20.858 0.936 3.029 1.00 21.35 C ATOM 1631 O SER A 108 21.043 0.813 4.251 1.00 61.31 O ATOM 1632 CB SER A 108 21.781 3.266 2.891 1.00 35.44 C ATOM 1633 OG SER A 108 22.433 4.230 2.052 1.00 73.35 O ATOM 0 H SER A 108 20.275 2.637 0.875 1.00 20.54 H new ATOM 0 HA SER A 108 22.700 1.484 2.102 1.00 1.51 H new ATOM 0 HB2 SER A 108 20.778 3.612 3.138 1.00 35.44 H new ATOM 0 HB3 SER A 108 22.325 3.168 3.830 1.00 35.44 H new ATOM 0 HG SER A 108 22.472 5.093 2.515 1.00 73.35 H new ATOM 1639 N LEU A 109 19.942 0.244 2.391 1.00 22.33 N ATOM 1640 CA LEU A 109 19.108 -0.680 3.105 1.00 34.51 C ATOM 1641 C LEU A 109 19.482 -2.116 2.769 1.00 25.14 C ATOM 1642 O LEU A 109 19.514 -2.514 1.600 1.00 43.13 O ATOM 1643 CB LEU A 109 17.643 -0.409 2.816 1.00 20.01 C ATOM 1644 CG LEU A 109 16.644 -1.197 3.641 1.00 42.24 C ATOM 1645 CD1 LEU A 109 16.806 -0.887 5.117 1.00 12.35 C ATOM 1646 CD2 LEU A 109 15.234 -0.911 3.184 1.00 44.32 C ATOM 0 H LEU A 109 19.761 0.306 1.389 1.00 22.33 H new ATOM 0 HA LEU A 109 19.271 -0.537 4.173 1.00 34.51 H new ATOM 0 HB2 LEU A 109 17.454 0.653 2.970 1.00 20.01 H new ATOM 0 HB3 LEU A 109 17.457 -0.616 1.762 1.00 20.01 H new ATOM 0 HG LEU A 109 16.840 -2.259 3.494 1.00 42.24 H new ATOM 0 HD11 LEU A 109 16.080 -1.462 5.691 1.00 12.35 H new ATOM 0 HD12 LEU A 109 17.814 -1.153 5.436 1.00 12.35 H new ATOM 0 HD13 LEU A 109 16.641 0.177 5.286 1.00 12.35 H new ATOM 0 HD21 LEU A 109 14.532 -1.486 3.788 1.00 44.32 H new ATOM 0 HD22 LEU A 109 15.024 0.153 3.297 1.00 44.32 H new ATOM 0 HD23 LEU A 109 15.127 -1.193 2.137 1.00 44.32 H new ATOM 1658 N THR A 110 19.771 -2.879 3.788 1.00 71.12 N ATOM 1659 CA THR A 110 20.176 -4.254 3.637 1.00 12.01 C ATOM 1660 C THR A 110 19.125 -5.156 4.301 1.00 33.30 C ATOM 1661 O THR A 110 18.968 -5.154 5.523 1.00 50.53 O ATOM 1662 CB THR A 110 21.560 -4.456 4.284 1.00 11.11 C ATOM 1663 OG1 THR A 110 22.443 -3.406 3.826 1.00 54.10 O ATOM 1664 CG2 THR A 110 22.157 -5.799 3.890 1.00 0.23 C ATOM 0 H THR A 110 19.732 -2.562 4.757 1.00 71.12 H new ATOM 0 HA THR A 110 20.250 -4.514 2.581 1.00 12.01 H new ATOM 0 HB THR A 110 21.446 -4.428 5.368 1.00 11.11 H new ATOM 0 HG1 THR A 110 23.327 -3.522 4.232 1.00 54.10 H new ATOM 0 HG21 THR A 110 23.133 -5.915 4.360 1.00 0.23 H new ATOM 0 HG22 THR A 110 21.497 -6.601 4.220 1.00 0.23 H new ATOM 0 HG23 THR A 110 22.269 -5.844 2.807 1.00 0.23 H new ATOM 1672 N ILE A 111 18.403 -5.886 3.487 1.00 45.02 N ATOM 1673 CA ILE A 111 17.272 -6.693 3.923 1.00 61.34 C ATOM 1674 C ILE A 111 17.483 -8.146 3.521 1.00 23.10 C ATOM 1675 O ILE A 111 18.199 -8.427 2.588 1.00 74.42 O ATOM 1676 CB ILE A 111 15.989 -6.135 3.238 1.00 12.22 C ATOM 1677 CG1 ILE A 111 15.768 -4.678 3.618 1.00 53.13 C ATOM 1678 CG2 ILE A 111 14.741 -6.955 3.493 1.00 62.54 C ATOM 1679 CD1 ILE A 111 15.550 -4.438 5.108 1.00 44.03 C ATOM 0 H ILE A 111 18.582 -5.942 2.484 1.00 45.02 H new ATOM 0 HA ILE A 111 17.173 -6.647 5.008 1.00 61.34 H new ATOM 0 HB ILE A 111 16.171 -6.207 2.166 1.00 12.22 H new ATOM 0 HG12 ILE A 111 16.630 -4.096 3.292 1.00 53.13 H new ATOM 0 HG13 ILE A 111 14.903 -4.301 3.072 1.00 53.13 H new ATOM 0 HG21 ILE A 111 13.894 -6.498 2.981 1.00 62.54 H new ATOM 0 HG22 ILE A 111 14.888 -7.968 3.118 1.00 62.54 H new ATOM 0 HG23 ILE A 111 14.541 -6.990 4.564 1.00 62.54 H new ATOM 0 HD11 ILE A 111 15.401 -3.373 5.287 1.00 44.03 H new ATOM 0 HD12 ILE A 111 14.670 -4.988 5.440 1.00 44.03 H new ATOM 0 HD13 ILE A 111 16.423 -4.781 5.663 1.00 44.03 H new ATOM 1691 N THR A 112 16.865 -9.040 4.217 1.00 61.04 N ATOM 1692 CA THR A 112 16.959 -10.443 3.938 1.00 21.33 C ATOM 1693 C THR A 112 15.539 -11.005 3.924 1.00 72.00 C ATOM 1694 O THR A 112 14.638 -10.374 4.443 1.00 22.50 O ATOM 1695 CB THR A 112 17.879 -11.174 4.979 1.00 25.12 C ATOM 1696 OG1 THR A 112 17.980 -12.575 4.685 1.00 51.34 O ATOM 1697 CG2 THR A 112 17.400 -10.977 6.413 1.00 55.13 C ATOM 0 H THR A 112 16.267 -8.817 5.013 1.00 61.04 H new ATOM 0 HA THR A 112 17.427 -10.609 2.968 1.00 21.33 H new ATOM 0 HB THR A 112 18.866 -10.720 4.893 1.00 25.12 H new ATOM 0 HG1 THR A 112 18.847 -12.760 4.268 1.00 51.34 H new ATOM 0 HG21 THR A 112 18.069 -11.502 7.095 1.00 55.13 H new ATOM 0 HG22 THR A 112 17.398 -9.914 6.653 1.00 55.13 H new ATOM 0 HG23 THR A 112 16.391 -11.375 6.517 1.00 55.13 H new ATOM 1705 N ARG A 113 15.328 -12.132 3.307 1.00 50.35 N ATOM 1706 CA ARG A 113 13.994 -12.704 3.237 1.00 11.54 C ATOM 1707 C ARG A 113 13.981 -14.094 3.812 1.00 43.21 C ATOM 1708 O ARG A 113 15.039 -14.652 4.112 1.00 71.02 O ATOM 1709 CB ARG A 113 13.463 -12.744 1.800 1.00 3.21 C ATOM 1710 CG ARG A 113 14.397 -13.418 0.806 1.00 52.51 C ATOM 1711 CD ARG A 113 13.624 -13.982 -0.364 1.00 13.22 C ATOM 1712 NE ARG A 113 12.852 -15.173 0.039 1.00 33.53 N ATOM 1713 CZ ARG A 113 11.766 -15.657 -0.569 1.00 52.13 C ATOM 1714 NH1 ARG A 113 11.217 -15.017 -1.598 1.00 35.05 N ATOM 1715 NH2 ARG A 113 11.226 -16.782 -0.117 1.00 44.04 N ATOM 0 H ARG A 113 16.053 -12.679 2.843 1.00 50.35 H new ATOM 0 HA ARG A 113 13.341 -12.059 3.825 1.00 11.54 H new ATOM 0 HB2 ARG A 113 12.506 -13.266 1.793 1.00 3.21 H new ATOM 0 HB3 ARG A 113 13.272 -11.724 1.467 1.00 3.21 H new ATOM 0 HG2 ARG A 113 15.133 -12.699 0.448 1.00 52.51 H new ATOM 0 HG3 ARG A 113 14.947 -14.217 1.302 1.00 52.51 H new ATOM 0 HD2 ARG A 113 12.949 -13.223 -0.759 1.00 13.22 H new ATOM 0 HD3 ARG A 113 14.313 -14.245 -1.167 1.00 13.22 H new ATOM 0 HE ARG A 113 13.180 -15.676 0.863 1.00 33.53 H new ATOM 0 HH11 ARG A 113 11.626 -14.144 -1.933 1.00 35.05 H new ATOM 0 HH12 ARG A 113 10.388 -15.399 -2.052 1.00 35.05 H new ATOM 0 HH21 ARG A 113 11.641 -17.262 0.682 1.00 44.04 H new ATOM 0 HH22 ARG A 113 10.396 -17.167 -0.569 1.00 44.04 H new ATOM 1729 N ASP A 114 12.793 -14.651 3.957 1.00 62.10 N ATOM 1730 CA ASP A 114 12.623 -16.011 4.454 1.00 41.42 C ATOM 1731 C ASP A 114 13.237 -16.964 3.446 1.00 40.45 C ATOM 1732 O ASP A 114 12.932 -16.885 2.249 1.00 3.21 O ATOM 1733 CB ASP A 114 11.131 -16.335 4.604 1.00 2.24 C ATOM 1734 CG ASP A 114 10.865 -17.613 5.374 1.00 44.24 C ATOM 1735 OD1 ASP A 114 11.303 -18.698 4.960 1.00 23.42 O ATOM 1736 OD2 ASP A 114 10.223 -17.543 6.435 1.00 41.53 O ATOM 0 H ASP A 114 11.917 -14.177 3.735 1.00 62.10 H new ATOM 0 HA ASP A 114 13.106 -16.111 5.426 1.00 41.42 H new ATOM 0 HB2 ASP A 114 10.636 -15.506 5.110 1.00 2.24 H new ATOM 0 HB3 ASP A 114 10.684 -16.417 3.613 1.00 2.24 H new ATOM 1741 N GLY A 115 14.112 -17.813 3.899 1.00 72.53 N ATOM 1742 CA GLY A 115 14.763 -18.734 3.007 1.00 14.45 C ATOM 1743 C GLY A 115 16.051 -18.155 2.489 1.00 25.41 C ATOM 1744 O GLY A 115 16.401 -18.324 1.326 1.00 41.34 O ATOM 0 H GLY A 115 14.392 -17.889 4.877 1.00 72.53 H new ATOM 0 HA2 GLY A 115 14.963 -19.671 3.527 1.00 14.45 H new ATOM 0 HA3 GLY A 115 14.102 -18.968 2.172 1.00 14.45 H new ATOM 1748 N SER A 116 16.715 -17.405 3.328 1.00 11.14 N ATOM 1749 CA SER A 116 17.992 -16.819 3.012 1.00 21.14 C ATOM 1750 C SER A 116 18.824 -16.729 4.284 1.00 50.43 C ATOM 1751 O SER A 116 18.298 -16.414 5.355 1.00 73.35 O ATOM 1752 CB SER A 116 17.803 -15.429 2.380 1.00 21.24 C ATOM 1753 OG SER A 116 17.038 -15.517 1.177 1.00 51.44 O ATOM 0 H SER A 116 16.379 -17.180 4.265 1.00 11.14 H new ATOM 0 HA SER A 116 18.513 -17.444 2.287 1.00 21.14 H new ATOM 0 HB2 SER A 116 17.302 -14.768 3.087 1.00 21.24 H new ATOM 0 HB3 SER A 116 18.776 -14.987 2.166 1.00 21.24 H new ATOM 0 HG SER A 116 17.062 -14.656 0.710 1.00 51.44 H new ATOM 1759 N ARG A 117 20.092 -17.042 4.174 1.00 34.14 N ATOM 1760 CA ARG A 117 21.007 -16.999 5.308 1.00 0.33 C ATOM 1761 C ARG A 117 21.781 -15.695 5.317 1.00 71.44 C ATOM 1762 O ARG A 117 22.376 -15.307 6.330 1.00 30.51 O ATOM 1763 CB ARG A 117 21.967 -18.184 5.271 1.00 74.12 C ATOM 1764 CG ARG A 117 22.767 -18.279 3.989 1.00 23.21 C ATOM 1765 CD ARG A 117 23.678 -19.469 3.996 1.00 43.11 C ATOM 1766 NE ARG A 117 24.759 -19.349 4.984 1.00 25.13 N ATOM 1767 CZ ARG A 117 25.381 -20.378 5.571 1.00 64.30 C ATOM 1768 NH1 ARG A 117 24.908 -21.617 5.425 1.00 42.10 N ATOM 1769 NH2 ARG A 117 26.450 -20.159 6.340 1.00 24.34 N ATOM 0 H ARG A 117 20.527 -17.335 3.299 1.00 34.14 H new ATOM 0 HA ARG A 117 20.418 -17.061 6.223 1.00 0.33 H new ATOM 0 HB2 ARG A 117 22.655 -18.110 6.113 1.00 74.12 H new ATOM 0 HB3 ARG A 117 21.399 -19.105 5.404 1.00 74.12 H new ATOM 0 HG2 ARG A 117 22.088 -18.345 3.139 1.00 23.21 H new ATOM 0 HG3 ARG A 117 23.355 -17.370 3.858 1.00 23.21 H new ATOM 0 HD2 ARG A 117 23.096 -20.366 4.207 1.00 43.11 H new ATOM 0 HD3 ARG A 117 24.111 -19.596 3.004 1.00 43.11 H new ATOM 0 HE ARG A 117 25.058 -18.409 5.242 1.00 25.13 H new ATOM 0 HH11 ARG A 117 24.071 -21.781 4.865 1.00 42.10 H new ATOM 0 HH12 ARG A 117 25.383 -22.400 5.873 1.00 42.10 H new ATOM 0 HH21 ARG A 117 26.792 -19.208 6.480 1.00 24.34 H new ATOM 0 HH22 ARG A 117 26.925 -20.943 6.788 1.00 24.34 H new ATOM 1783 N ASP A 118 21.812 -15.048 4.177 1.00 13.31 N ATOM 1784 CA ASP A 118 22.457 -13.760 4.049 1.00 32.52 C ATOM 1785 C ASP A 118 21.475 -12.702 3.661 1.00 60.54 C ATOM 1786 O ASP A 118 20.301 -12.993 3.391 1.00 35.14 O ATOM 1787 CB ASP A 118 23.647 -13.769 3.081 1.00 1.50 C ATOM 1788 CG ASP A 118 24.880 -14.402 3.672 1.00 41.45 C ATOM 1789 OD1 ASP A 118 25.558 -13.745 4.492 1.00 43.42 O ATOM 1790 OD2 ASP A 118 25.212 -15.555 3.321 1.00 45.43 O ATOM 0 H ASP A 118 21.393 -15.396 3.314 1.00 13.31 H new ATOM 0 HA ASP A 118 22.859 -13.528 5.035 1.00 32.52 H new ATOM 0 HB2 ASP A 118 23.368 -14.307 2.175 1.00 1.50 H new ATOM 0 HB3 ASP A 118 23.876 -12.745 2.786 1.00 1.50 H new ATOM 1795 N ALA A 119 21.928 -11.479 3.649 1.00 3.10 N ATOM 1796 CA ALA A 119 21.092 -10.357 3.333 1.00 54.42 C ATOM 1797 C ALA A 119 21.418 -9.785 1.964 1.00 52.21 C ATOM 1798 O ALA A 119 22.518 -9.988 1.425 1.00 3.42 O ATOM 1799 CB ALA A 119 21.205 -9.293 4.408 1.00 53.42 C ATOM 0 H ALA A 119 22.895 -11.232 3.860 1.00 3.10 H new ATOM 0 HA ALA A 119 20.060 -10.707 3.300 1.00 54.42 H new ATOM 0 HB1 ALA A 119 20.565 -8.449 4.153 1.00 53.42 H new ATOM 0 HB2 ALA A 119 20.893 -9.709 5.366 1.00 53.42 H new ATOM 0 HB3 ALA A 119 22.239 -8.956 4.479 1.00 53.42 H new ATOM 1805 N VAL A 120 20.456 -9.101 1.410 1.00 32.13 N ATOM 1806 CA VAL A 120 20.550 -8.467 0.129 1.00 75.51 C ATOM 1807 C VAL A 120 20.670 -6.962 0.354 1.00 53.54 C ATOM 1808 O VAL A 120 19.810 -6.350 1.011 1.00 2.45 O ATOM 1809 CB VAL A 120 19.276 -8.748 -0.732 1.00 73.12 C ATOM 1810 CG1 VAL A 120 19.387 -8.114 -2.115 1.00 12.24 C ATOM 1811 CG2 VAL A 120 19.011 -10.247 -0.849 1.00 24.13 C ATOM 0 H VAL A 120 19.550 -8.966 1.858 1.00 32.13 H new ATOM 0 HA VAL A 120 21.417 -8.860 -0.402 1.00 75.51 H new ATOM 0 HB VAL A 120 18.430 -8.290 -0.220 1.00 73.12 H new ATOM 0 HG11 VAL A 120 18.485 -8.329 -2.687 1.00 12.24 H new ATOM 0 HG12 VAL A 120 19.503 -7.035 -2.012 1.00 12.24 H new ATOM 0 HG13 VAL A 120 20.253 -8.524 -2.635 1.00 12.24 H new ATOM 0 HG21 VAL A 120 18.119 -10.413 -1.453 1.00 24.13 H new ATOM 0 HG22 VAL A 120 19.865 -10.732 -1.322 1.00 24.13 H new ATOM 0 HG23 VAL A 120 18.860 -10.668 0.145 1.00 24.13 H new ATOM 1821 N SER A 121 21.735 -6.389 -0.116 1.00 3.12 N ATOM 1822 CA SER A 121 21.930 -4.964 -0.011 1.00 61.35 C ATOM 1823 C SER A 121 21.129 -4.275 -1.114 1.00 72.13 C ATOM 1824 O SER A 121 20.820 -4.916 -2.137 1.00 33.30 O ATOM 1825 CB SER A 121 23.412 -4.657 -0.177 1.00 42.14 C ATOM 1826 OG SER A 121 24.196 -5.480 0.692 1.00 14.31 O ATOM 0 H SER A 121 22.494 -6.887 -0.582 1.00 3.12 H new ATOM 0 HA SER A 121 21.593 -4.603 0.961 1.00 61.35 H new ATOM 0 HB2 SER A 121 23.710 -4.824 -1.212 1.00 42.14 H new ATOM 0 HB3 SER A 121 23.598 -3.606 0.043 1.00 42.14 H new ATOM 0 HG SER A 121 25.146 -5.271 0.571 1.00 14.31 H new ATOM 1832 N ASN A 122 20.771 -3.001 -0.895 1.00 33.23 N ATOM 1833 CA ASN A 122 20.061 -2.187 -1.882 1.00 21.43 C ATOM 1834 C ASN A 122 18.648 -2.712 -2.098 1.00 24.04 C ATOM 1835 O ASN A 122 18.119 -2.662 -3.218 1.00 55.23 O ATOM 1836 CB ASN A 122 20.828 -2.145 -3.219 1.00 22.15 C ATOM 1837 CG ASN A 122 22.210 -1.527 -3.119 1.00 22.12 C ATOM 1838 OD1 ASN A 122 22.325 -0.275 -3.463 1.00 12.22 O flip ATOM 1839 ND2 ASN A 122 23.190 -2.203 -2.785 1.00 74.20 N flip ATOM 0 H ASN A 122 20.968 -2.508 -0.024 1.00 33.23 H new ATOM 0 HA ASN A 122 19.997 -1.171 -1.493 1.00 21.43 H new ATOM 0 HB2 ASN A 122 20.922 -3.160 -3.604 1.00 22.15 H new ATOM 0 HB3 ASN A 122 20.241 -1.582 -3.945 1.00 22.15 H new ATOM 0 HD21 ASN A 122 23.069 -3.181 -2.521 1.00 74.20 H new ATOM 0 HD22 ASN A 122 24.119 -1.783 -2.774 1.00 74.20 H new ATOM 1846 N ALA A 123 18.016 -3.176 -1.026 1.00 4.45 N ATOM 1847 CA ALA A 123 16.689 -3.711 -1.128 1.00 52.31 C ATOM 1848 C ALA A 123 15.665 -2.618 -0.849 1.00 50.34 C ATOM 1849 O ALA A 123 16.004 -1.549 -0.316 1.00 11.43 O ATOM 1850 CB ALA A 123 16.518 -4.871 -0.161 1.00 13.51 C ATOM 0 H ALA A 123 18.410 -3.187 -0.085 1.00 4.45 H new ATOM 0 HA ALA A 123 16.529 -4.083 -2.140 1.00 52.31 H new ATOM 0 HB1 ALA A 123 15.507 -5.270 -0.246 1.00 13.51 H new ATOM 0 HB2 ALA A 123 17.238 -5.653 -0.400 1.00 13.51 H new ATOM 0 HB3 ALA A 123 16.686 -4.523 0.858 1.00 13.51 H new ATOM 1856 N ARG A 124 14.436 -2.860 -1.223 1.00 13.44 N ATOM 1857 CA ARG A 124 13.378 -1.901 -0.984 1.00 42.20 C ATOM 1858 C ARG A 124 12.654 -2.258 0.320 1.00 51.14 C ATOM 1859 O ARG A 124 12.594 -3.437 0.699 1.00 73.30 O ATOM 1860 CB ARG A 124 12.370 -1.870 -2.153 1.00 1.41 C ATOM 1861 CG ARG A 124 11.600 -3.157 -2.317 1.00 31.42 C ATOM 1862 CD ARG A 124 10.584 -3.105 -3.440 1.00 64.12 C ATOM 1863 NE ARG A 124 11.188 -2.843 -4.749 1.00 33.41 N ATOM 1864 CZ ARG A 124 11.619 -3.801 -5.587 1.00 63.23 C ATOM 1865 NH1 ARG A 124 11.695 -5.079 -5.166 1.00 25.11 N ATOM 1866 NH2 ARG A 124 11.999 -3.481 -6.831 1.00 21.01 N ATOM 0 H ARG A 124 14.138 -3.713 -1.696 1.00 13.44 H new ATOM 0 HA ARG A 124 13.824 -0.910 -0.902 1.00 42.20 H new ATOM 0 HB2 ARG A 124 11.667 -1.053 -1.994 1.00 1.41 H new ATOM 0 HB3 ARG A 124 12.905 -1.655 -3.078 1.00 1.41 H new ATOM 0 HG2 ARG A 124 12.300 -3.970 -2.507 1.00 31.42 H new ATOM 0 HG3 ARG A 124 11.088 -3.388 -1.383 1.00 31.42 H new ATOM 0 HD2 ARG A 124 10.045 -4.051 -3.478 1.00 64.12 H new ATOM 0 HD3 ARG A 124 9.850 -2.329 -3.223 1.00 64.12 H new ATOM 0 HE ARG A 124 11.288 -1.871 -5.043 1.00 33.41 H new ATOM 0 HH11 ARG A 124 11.425 -5.319 -4.212 1.00 25.11 H new ATOM 0 HH12 ARG A 124 12.022 -5.807 -5.802 1.00 25.11 H new ATOM 0 HH21 ARG A 124 11.961 -2.510 -7.142 1.00 21.01 H new ATOM 0 HH22 ARG A 124 12.326 -4.208 -7.467 1.00 21.01 H new ATOM 1880 N PRO A 125 12.105 -1.257 1.027 1.00 54.03 N ATOM 1881 CA PRO A 125 11.348 -1.468 2.280 1.00 62.54 C ATOM 1882 C PRO A 125 10.167 -2.470 2.145 1.00 41.13 C ATOM 1883 O PRO A 125 9.768 -3.097 3.123 1.00 13.44 O ATOM 1884 CB PRO A 125 10.824 -0.070 2.597 1.00 30.24 C ATOM 1885 CG PRO A 125 11.818 0.844 1.987 1.00 25.22 C ATOM 1886 CD PRO A 125 12.227 0.187 0.709 1.00 13.15 C ATOM 0 HA PRO A 125 11.977 -1.909 3.053 1.00 62.54 H new ATOM 0 HB2 PRO A 125 9.830 0.086 2.177 1.00 30.24 H new ATOM 0 HB3 PRO A 125 10.745 0.090 3.672 1.00 30.24 H new ATOM 0 HG2 PRO A 125 11.386 1.828 1.803 1.00 25.22 H new ATOM 0 HG3 PRO A 125 12.674 0.990 2.646 1.00 25.22 H new ATOM 0 HD2 PRO A 125 11.579 0.475 -0.119 1.00 13.15 H new ATOM 0 HD3 PRO A 125 13.245 0.454 0.425 1.00 13.15 H new ATOM 1894 N VAL A 126 9.629 -2.622 0.939 1.00 41.22 N ATOM 1895 CA VAL A 126 8.529 -3.576 0.690 1.00 53.10 C ATOM 1896 C VAL A 126 8.942 -5.002 1.014 1.00 44.20 C ATOM 1897 O VAL A 126 8.208 -5.739 1.690 1.00 4.20 O ATOM 1898 CB VAL A 126 8.057 -3.504 -0.781 1.00 10.45 C ATOM 1899 CG1 VAL A 126 7.171 -4.669 -1.152 1.00 31.42 C ATOM 1900 CG2 VAL A 126 7.306 -2.240 -0.990 1.00 52.40 C ATOM 0 H VAL A 126 9.929 -2.103 0.114 1.00 41.22 H new ATOM 0 HA VAL A 126 7.708 -3.292 1.348 1.00 53.10 H new ATOM 0 HB VAL A 126 8.942 -3.541 -1.416 1.00 10.45 H new ATOM 0 HG11 VAL A 126 6.864 -4.576 -2.194 1.00 31.42 H new ATOM 0 HG12 VAL A 126 7.720 -5.601 -1.018 1.00 31.42 H new ATOM 0 HG13 VAL A 126 6.288 -4.673 -0.513 1.00 31.42 H new ATOM 0 HG21 VAL A 126 6.970 -2.183 -2.025 1.00 52.40 H new ATOM 0 HG22 VAL A 126 6.441 -2.216 -0.327 1.00 52.40 H new ATOM 0 HG23 VAL A 126 7.954 -1.391 -0.772 1.00 52.40 H new ATOM 1910 N ASP A 127 10.136 -5.355 0.599 1.00 72.11 N ATOM 1911 CA ASP A 127 10.662 -6.695 0.838 1.00 65.23 C ATOM 1912 C ASP A 127 10.842 -6.919 2.319 1.00 13.44 C ATOM 1913 O ASP A 127 10.623 -8.007 2.820 1.00 43.43 O ATOM 1914 CB ASP A 127 11.986 -6.941 0.088 1.00 53.15 C ATOM 1915 CG ASP A 127 11.818 -7.100 -1.414 1.00 2.35 C ATOM 1916 OD1 ASP A 127 11.546 -8.224 -1.877 1.00 30.14 O ATOM 1917 OD2 ASP A 127 11.981 -6.120 -2.168 1.00 24.11 O ATOM 0 H ASP A 127 10.769 -4.737 0.092 1.00 72.11 H new ATOM 0 HA ASP A 127 9.937 -7.411 0.449 1.00 65.23 H new ATOM 0 HB2 ASP A 127 12.663 -6.109 0.283 1.00 53.15 H new ATOM 0 HB3 ASP A 127 12.459 -7.838 0.489 1.00 53.15 H new ATOM 1922 N ALA A 128 11.171 -5.848 3.018 1.00 33.32 N ATOM 1923 CA ALA A 128 11.386 -5.887 4.445 1.00 72.30 C ATOM 1924 C ALA A 128 10.096 -6.173 5.209 1.00 32.04 C ATOM 1925 O ALA A 128 10.084 -7.006 6.105 1.00 13.34 O ATOM 1926 CB ALA A 128 12.003 -4.589 4.932 1.00 53.41 C ATOM 0 H ALA A 128 11.296 -4.924 2.605 1.00 33.32 H new ATOM 0 HA ALA A 128 12.078 -6.706 4.642 1.00 72.30 H new ATOM 0 HB1 ALA A 128 12.156 -4.641 6.010 1.00 53.41 H new ATOM 0 HB2 ALA A 128 12.961 -4.433 4.436 1.00 53.41 H new ATOM 0 HB3 ALA A 128 11.335 -3.759 4.700 1.00 53.41 H new ATOM 1932 N LEU A 129 9.008 -5.504 4.852 1.00 70.40 N ATOM 1933 CA LEU A 129 7.753 -5.678 5.587 1.00 32.22 C ATOM 1934 C LEU A 129 7.173 -7.070 5.369 1.00 11.52 C ATOM 1935 O LEU A 129 6.678 -7.695 6.306 1.00 5.40 O ATOM 1936 CB LEU A 129 6.734 -4.549 5.276 1.00 61.25 C ATOM 1937 CG LEU A 129 6.142 -4.488 3.866 1.00 11.12 C ATOM 1938 CD1 LEU A 129 4.910 -5.358 3.765 1.00 22.42 C ATOM 1939 CD2 LEU A 129 5.828 -3.066 3.470 1.00 5.22 C ATOM 0 H LEU A 129 8.963 -4.847 4.073 1.00 70.40 H new ATOM 0 HA LEU A 129 7.980 -5.593 6.650 1.00 32.22 H new ATOM 0 HB2 LEU A 129 5.908 -4.640 5.982 1.00 61.25 H new ATOM 0 HB3 LEU A 129 7.221 -3.594 5.476 1.00 61.25 H new ATOM 0 HG LEU A 129 6.889 -4.872 3.171 1.00 11.12 H new ATOM 0 HD11 LEU A 129 4.505 -5.300 2.755 1.00 22.42 H new ATOM 0 HD12 LEU A 129 5.174 -6.391 3.991 1.00 22.42 H new ATOM 0 HD13 LEU A 129 4.160 -5.011 4.476 1.00 22.42 H new ATOM 0 HD21 LEU A 129 5.409 -3.053 2.464 1.00 5.22 H new ATOM 0 HD22 LEU A 129 5.106 -2.644 4.170 1.00 5.22 H new ATOM 0 HD23 LEU A 129 6.742 -2.472 3.490 1.00 5.22 H new ATOM 1951 N HIS A 130 7.312 -7.575 4.151 1.00 74.44 N ATOM 1952 CA HIS A 130 6.803 -8.897 3.797 1.00 61.23 C ATOM 1953 C HIS A 130 7.699 -9.975 4.422 1.00 60.55 C ATOM 1954 O HIS A 130 7.301 -11.123 4.596 1.00 70.43 O ATOM 1955 CB HIS A 130 6.721 -9.023 2.255 1.00 32.31 C ATOM 1956 CG HIS A 130 6.137 -10.314 1.723 1.00 32.43 C ATOM 1957 ND1 HIS A 130 4.786 -10.622 1.720 1.00 2.03 N ATOM 1958 CD2 HIS A 130 6.754 -11.369 1.136 1.00 15.33 C ATOM 1959 CE1 HIS A 130 4.632 -11.812 1.146 1.00 70.00 C ATOM 1960 NE2 HIS A 130 5.799 -12.314 0.767 1.00 64.33 N ATOM 0 H HIS A 130 7.776 -7.087 3.385 1.00 74.44 H new ATOM 0 HA HIS A 130 5.797 -9.036 4.192 1.00 61.23 H new ATOM 0 HB2 HIS A 130 6.125 -8.194 1.874 1.00 32.31 H new ATOM 0 HB3 HIS A 130 7.725 -8.907 1.847 1.00 32.31 H new ATOM 0 HD1 HIS A 130 4.039 -10.037 2.094 1.00 2.03 H new ATOM 0 HD2 HIS A 130 7.818 -11.462 0.979 1.00 15.33 H new ATOM 0 HE1 HIS A 130 3.681 -12.305 1.007 1.00 70.00 H new ATOM 1968 N ALA A 131 8.900 -9.570 4.784 1.00 50.10 N ATOM 1969 CA ALA A 131 9.850 -10.453 5.444 1.00 51.21 C ATOM 1970 C ALA A 131 9.781 -10.301 6.962 1.00 60.33 C ATOM 1971 O ALA A 131 10.614 -10.857 7.689 1.00 40.10 O ATOM 1972 CB ALA A 131 11.263 -10.199 4.952 1.00 3.20 C ATOM 0 H ALA A 131 9.247 -8.623 4.631 1.00 50.10 H new ATOM 0 HA ALA A 131 9.577 -11.477 5.190 1.00 51.21 H new ATOM 0 HB1 ALA A 131 11.952 -10.872 5.462 1.00 3.20 H new ATOM 0 HB2 ALA A 131 11.311 -10.375 3.877 1.00 3.20 H new ATOM 0 HB3 ALA A 131 11.542 -9.167 5.163 1.00 3.20 H new ATOM 1978 N HIS A 132 8.779 -9.533 7.431 1.00 32.32 N ATOM 1979 CA HIS A 132 8.526 -9.288 8.871 1.00 15.01 C ATOM 1980 C HIS A 132 9.675 -8.527 9.526 1.00 14.23 C ATOM 1981 O HIS A 132 9.869 -8.542 10.741 1.00 55.14 O ATOM 1982 CB HIS A 132 8.231 -10.603 9.605 1.00 43.20 C ATOM 1983 CG HIS A 132 6.955 -11.251 9.165 1.00 52.51 C ATOM 1984 ND1 HIS A 132 6.864 -12.164 8.139 1.00 2.14 N ATOM 1985 CD2 HIS A 132 5.699 -11.086 9.629 1.00 10.20 C ATOM 1986 CE1 HIS A 132 5.589 -12.516 8.011 1.00 51.23 C ATOM 1987 NE2 HIS A 132 4.834 -11.888 8.901 1.00 14.30 N ATOM 0 H HIS A 132 8.115 -9.059 6.819 1.00 32.32 H new ATOM 0 HA HIS A 132 7.642 -8.655 8.948 1.00 15.01 H new ATOM 0 HB2 HIS A 132 9.057 -11.295 9.443 1.00 43.20 H new ATOM 0 HB3 HIS A 132 8.182 -10.410 10.677 1.00 43.20 H new ATOM 0 HD1 HIS A 132 7.640 -12.510 7.575 1.00 2.14 H new ATOM 0 HD2 HIS A 132 5.413 -10.432 10.440 1.00 10.20 H new ATOM 0 HE1 HIS A 132 5.218 -13.219 7.280 1.00 51.23 H new ATOM 1995 N GLN A 133 10.334 -7.761 8.712 1.00 71.35 N ATOM 1996 CA GLN A 133 11.461 -6.924 9.070 1.00 62.33 C ATOM 1997 C GLN A 133 11.028 -5.479 8.987 1.00 24.20 C ATOM 1998 O GLN A 133 11.837 -4.542 8.870 1.00 75.12 O ATOM 1999 CB GLN A 133 12.629 -7.242 8.174 1.00 24.23 C ATOM 2000 CG GLN A 133 13.125 -8.649 8.407 1.00 11.13 C ATOM 2001 CD GLN A 133 14.165 -9.083 7.435 1.00 23.34 C ATOM 2002 OE1 GLN A 133 14.963 -8.279 6.932 1.00 31.31 O ATOM 2003 NE2 GLN A 133 14.166 -10.348 7.153 1.00 0.32 N ATOM 0 H GLN A 133 10.094 -7.692 7.723 1.00 71.35 H new ATOM 0 HA GLN A 133 11.790 -7.115 10.091 1.00 62.33 H new ATOM 0 HB2 GLN A 133 12.334 -7.125 7.131 1.00 24.23 H new ATOM 0 HB3 GLN A 133 13.436 -6.533 8.358 1.00 24.23 H new ATOM 0 HG2 GLN A 133 13.531 -8.720 9.416 1.00 11.13 H new ATOM 0 HG3 GLN A 133 12.281 -9.336 8.354 1.00 11.13 H new ATOM 0 HE21 GLN A 133 13.488 -10.969 7.594 1.00 0.32 H new ATOM 0 HE22 GLN A 133 14.845 -10.722 6.490 1.00 0.32 H new ATOM 2012 N ALA A 134 9.727 -5.344 9.149 1.00 63.12 N ATOM 2013 CA ALA A 134 8.932 -4.132 9.061 1.00 44.54 C ATOM 2014 C ALA A 134 9.475 -2.985 9.903 1.00 32.14 C ATOM 2015 O ALA A 134 9.187 -1.842 9.614 1.00 62.10 O ATOM 2016 CB ALA A 134 7.494 -4.428 9.421 1.00 54.11 C ATOM 0 H ALA A 134 9.145 -6.153 9.365 1.00 63.12 H new ATOM 0 HA ALA A 134 8.989 -3.795 8.026 1.00 44.54 H new ATOM 0 HB1 ALA A 134 6.906 -3.513 9.352 1.00 54.11 H new ATOM 0 HB2 ALA A 134 7.092 -5.171 8.732 1.00 54.11 H new ATOM 0 HB3 ALA A 134 7.446 -4.814 10.439 1.00 54.11 H new ATOM 2022 N ARG A 135 10.227 -3.291 10.956 1.00 44.34 N ATOM 2023 CA ARG A 135 10.796 -2.275 11.841 1.00 54.33 C ATOM 2024 C ARG A 135 11.603 -1.248 11.004 1.00 14.21 C ATOM 2025 O ARG A 135 11.515 -0.062 11.252 1.00 13.41 O ATOM 2026 CB ARG A 135 11.745 -2.974 12.826 1.00 1.32 C ATOM 2027 CG ARG A 135 11.955 -2.290 14.182 1.00 44.22 C ATOM 2028 CD ARG A 135 12.591 -0.896 14.128 1.00 44.21 C ATOM 2029 NE ARG A 135 13.954 -0.886 13.560 1.00 50.45 N ATOM 2030 CZ ARG A 135 14.952 -0.070 13.956 1.00 71.12 C ATOM 2031 NH1 ARG A 135 14.803 0.738 15.002 1.00 73.24 N ATOM 2032 NH2 ARG A 135 16.093 -0.081 13.303 1.00 41.40 N ATOM 0 H ARG A 135 10.460 -4.248 11.221 1.00 44.34 H new ATOM 0 HA ARG A 135 10.000 -1.757 12.376 1.00 54.33 H new ATOM 0 HB2 ARG A 135 11.367 -3.980 13.007 1.00 1.32 H new ATOM 0 HB3 ARG A 135 12.717 -3.081 12.344 1.00 1.32 H new ATOM 0 HG2 ARG A 135 10.990 -2.210 14.682 1.00 44.22 H new ATOM 0 HG3 ARG A 135 12.582 -2.933 14.800 1.00 44.22 H new ATOM 0 HD2 ARG A 135 11.955 -0.239 13.535 1.00 44.21 H new ATOM 0 HD3 ARG A 135 12.624 -0.482 15.136 1.00 44.21 H new ATOM 0 HE ARG A 135 14.156 -1.547 12.810 1.00 50.45 H new ATOM 0 HH11 ARG A 135 13.923 0.747 15.518 1.00 73.24 H new ATOM 0 HH12 ARG A 135 15.568 1.349 15.288 1.00 73.24 H new ATOM 0 HH21 ARG A 135 16.218 -0.703 12.504 1.00 41.40 H new ATOM 0 HH22 ARG A 135 16.854 0.533 13.595 1.00 41.40 H new ATOM 2046 N GLU A 136 12.329 -1.712 9.976 1.00 12.11 N ATOM 2047 CA GLU A 136 13.099 -0.793 9.110 1.00 3.12 C ATOM 2048 C GLU A 136 12.163 0.075 8.264 1.00 52.13 C ATOM 2049 O GLU A 136 12.492 1.200 7.893 1.00 34.21 O ATOM 2050 CB GLU A 136 14.072 -1.549 8.198 1.00 71.52 C ATOM 2051 CG GLU A 136 15.181 -2.272 8.934 1.00 4.13 C ATOM 2052 CD GLU A 136 15.973 -1.347 9.829 1.00 52.23 C ATOM 2053 OE1 GLU A 136 16.792 -0.545 9.322 1.00 23.02 O ATOM 2054 OE2 GLU A 136 15.796 -1.412 11.054 1.00 53.20 O ATOM 0 H GLU A 136 12.402 -2.697 9.723 1.00 12.11 H new ATOM 0 HA GLU A 136 13.682 -0.150 9.769 1.00 3.12 H new ATOM 0 HB2 GLU A 136 13.511 -2.274 7.608 1.00 71.52 H new ATOM 0 HB3 GLU A 136 14.517 -0.843 7.496 1.00 71.52 H new ATOM 0 HG2 GLU A 136 14.753 -3.075 9.533 1.00 4.13 H new ATOM 0 HG3 GLU A 136 15.851 -2.736 8.211 1.00 4.13 H new ATOM 2061 N VAL A 137 11.002 -0.458 7.996 1.00 52.33 N ATOM 2062 CA VAL A 137 9.978 0.215 7.224 1.00 2.11 C ATOM 2063 C VAL A 137 9.357 1.310 8.070 1.00 62.52 C ATOM 2064 O VAL A 137 9.238 2.442 7.634 1.00 53.22 O ATOM 2065 CB VAL A 137 8.897 -0.788 6.773 1.00 31.10 C ATOM 2066 CG1 VAL A 137 7.827 -0.120 5.931 1.00 25.52 C ATOM 2067 CG2 VAL A 137 9.546 -1.924 6.019 1.00 2.25 C ATOM 0 H VAL A 137 10.730 -1.389 8.311 1.00 52.33 H new ATOM 0 HA VAL A 137 10.428 0.654 6.333 1.00 2.11 H new ATOM 0 HB VAL A 137 8.402 -1.182 7.660 1.00 31.10 H new ATOM 0 HG11 VAL A 137 7.084 -0.860 5.633 1.00 25.52 H new ATOM 0 HG12 VAL A 137 7.344 0.665 6.512 1.00 25.52 H new ATOM 0 HG13 VAL A 137 8.283 0.315 5.042 1.00 25.52 H new ATOM 0 HG21 VAL A 137 8.782 -2.633 5.700 1.00 2.25 H new ATOM 0 HG22 VAL A 137 10.064 -1.531 5.144 1.00 2.25 H new ATOM 0 HG23 VAL A 137 10.262 -2.429 6.668 1.00 2.25 H new ATOM 2077 N VAL A 138 9.012 0.959 9.301 1.00 24.32 N ATOM 2078 CA VAL A 138 8.465 1.898 10.280 1.00 52.53 C ATOM 2079 C VAL A 138 9.498 2.994 10.558 1.00 24.44 C ATOM 2080 O VAL A 138 9.173 4.181 10.640 1.00 22.31 O ATOM 2081 CB VAL A 138 8.083 1.187 11.605 1.00 55.02 C ATOM 2082 CG1 VAL A 138 7.516 2.180 12.603 1.00 64.22 C ATOM 2083 CG2 VAL A 138 7.081 0.069 11.350 1.00 42.33 C ATOM 0 H VAL A 138 9.103 0.007 9.655 1.00 24.32 H new ATOM 0 HA VAL A 138 7.556 2.334 9.865 1.00 52.53 H new ATOM 0 HB VAL A 138 8.989 0.750 12.025 1.00 55.02 H new ATOM 0 HG11 VAL A 138 7.255 1.660 13.525 1.00 64.22 H new ATOM 0 HG12 VAL A 138 8.261 2.946 12.817 1.00 64.22 H new ATOM 0 HG13 VAL A 138 6.624 2.647 12.185 1.00 64.22 H new ATOM 0 HG21 VAL A 138 6.828 -0.415 12.293 1.00 42.33 H new ATOM 0 HG22 VAL A 138 6.178 0.485 10.902 1.00 42.33 H new ATOM 0 HG23 VAL A 138 7.518 -0.664 10.672 1.00 42.33 H new ATOM 2093 N ARG A 139 10.736 2.569 10.674 1.00 35.31 N ATOM 2094 CA ARG A 139 11.874 3.448 10.868 1.00 23.35 C ATOM 2095 C ARG A 139 11.938 4.473 9.717 1.00 40.35 C ATOM 2096 O ARG A 139 12.099 5.682 9.943 1.00 53.13 O ATOM 2097 CB ARG A 139 13.141 2.584 10.875 1.00 23.44 C ATOM 2098 CG ARG A 139 14.441 3.315 11.078 1.00 41.04 C ATOM 2099 CD ARG A 139 15.614 2.358 10.951 1.00 12.14 C ATOM 2100 NE ARG A 139 16.881 3.014 11.252 1.00 40.31 N ATOM 2101 CZ ARG A 139 18.081 2.419 11.297 1.00 13.22 C ATOM 2102 NH1 ARG A 139 18.241 1.154 10.873 1.00 12.51 N ATOM 2103 NH2 ARG A 139 19.129 3.105 11.727 1.00 62.33 N ATOM 0 H ARG A 139 10.988 1.581 10.636 1.00 35.31 H new ATOM 0 HA ARG A 139 11.784 3.991 11.809 1.00 23.35 H new ATOM 0 HB2 ARG A 139 13.042 1.836 11.662 1.00 23.44 H new ATOM 0 HB3 ARG A 139 13.194 2.046 9.929 1.00 23.44 H new ATOM 0 HG2 ARG A 139 14.535 4.114 10.343 1.00 41.04 H new ATOM 0 HG3 ARG A 139 14.452 3.784 12.062 1.00 41.04 H new ATOM 0 HD2 ARG A 139 15.471 1.515 11.627 1.00 12.14 H new ATOM 0 HD3 ARG A 139 15.645 1.953 9.940 1.00 12.14 H new ATOM 0 HE ARG A 139 16.851 4.015 11.446 1.00 40.31 H new ATOM 0 HH11 ARG A 139 17.443 0.633 10.510 1.00 12.51 H new ATOM 0 HH12 ARG A 139 19.161 0.715 10.914 1.00 12.51 H new ATOM 0 HH21 ARG A 139 19.018 4.076 12.020 1.00 62.33 H new ATOM 0 HH22 ARG A 139 20.047 2.663 11.766 1.00 62.33 H new ATOM 2117 N ARG A 140 11.784 3.987 8.492 1.00 72.10 N ATOM 2118 CA ARG A 140 11.791 4.840 7.320 1.00 1.52 C ATOM 2119 C ARG A 140 10.548 5.720 7.286 1.00 41.32 C ATOM 2120 O ARG A 140 10.612 6.874 6.891 1.00 15.45 O ATOM 2121 CB ARG A 140 11.877 4.017 6.049 1.00 14.51 C ATOM 2122 CG ARG A 140 12.051 4.870 4.816 1.00 33.30 C ATOM 2123 CD ARG A 140 12.159 4.029 3.587 1.00 31.30 C ATOM 2124 NE ARG A 140 12.437 4.839 2.401 1.00 24.21 N ATOM 2125 CZ ARG A 140 13.614 4.860 1.758 1.00 0.24 C ATOM 2126 NH1 ARG A 140 14.627 4.142 2.204 1.00 14.23 N ATOM 2127 NH2 ARG A 140 13.781 5.633 0.693 1.00 22.10 N ATOM 0 H ARG A 140 11.652 2.996 8.288 1.00 72.10 H new ATOM 0 HA ARG A 140 12.672 5.478 7.380 1.00 1.52 H new ATOM 0 HB2 ARG A 140 12.713 3.322 6.126 1.00 14.51 H new ATOM 0 HB3 ARG A 140 10.972 3.417 5.947 1.00 14.51 H new ATOM 0 HG2 ARG A 140 11.206 5.551 4.720 1.00 33.30 H new ATOM 0 HG3 ARG A 140 12.946 5.484 4.919 1.00 33.30 H new ATOM 0 HD2 ARG A 140 12.951 3.292 3.719 1.00 31.30 H new ATOM 0 HD3 ARG A 140 11.231 3.476 3.441 1.00 31.30 H new ATOM 0 HE ARG A 140 11.686 5.427 2.039 1.00 24.21 H new ATOM 0 HH11 ARG A 140 14.517 3.569 3.040 1.00 14.23 H new ATOM 0 HH12 ARG A 140 15.521 4.160 1.713 1.00 14.23 H new ATOM 0 HH21 ARG A 140 13.012 6.215 0.360 1.00 22.10 H new ATOM 0 HH22 ARG A 140 14.678 5.645 0.207 1.00 22.10 H new ATOM 2141 N ALA A 141 9.437 5.167 7.725 1.00 12.55 N ATOM 2142 CA ALA A 141 8.165 5.862 7.778 1.00 42.43 C ATOM 2143 C ALA A 141 8.273 7.108 8.649 1.00 41.03 C ATOM 2144 O ALA A 141 7.832 8.195 8.260 1.00 54.13 O ATOM 2145 CB ALA A 141 7.103 4.928 8.329 1.00 52.53 C ATOM 0 H ALA A 141 9.390 4.205 8.061 1.00 12.55 H new ATOM 0 HA ALA A 141 7.887 6.173 6.771 1.00 42.43 H new ATOM 0 HB1 ALA A 141 6.146 5.449 8.370 1.00 52.53 H new ATOM 0 HB2 ALA A 141 7.014 4.056 7.682 1.00 52.53 H new ATOM 0 HB3 ALA A 141 7.385 4.608 9.332 1.00 52.53 H new ATOM 2151 N GLN A 142 8.897 6.949 9.812 1.00 30.24 N ATOM 2152 CA GLN A 142 9.107 8.060 10.731 1.00 65.35 C ATOM 2153 C GLN A 142 10.050 9.088 10.127 1.00 11.10 C ATOM 2154 O GLN A 142 9.859 10.284 10.290 1.00 75.31 O ATOM 2155 CB GLN A 142 9.689 7.591 12.055 1.00 4.44 C ATOM 2156 CG GLN A 142 8.859 6.579 12.814 1.00 23.45 C ATOM 2157 CD GLN A 142 9.484 6.248 14.148 1.00 71.51 C ATOM 2158 OE1 GLN A 142 10.706 6.316 14.311 1.00 34.23 O ATOM 2159 NE2 GLN A 142 8.679 5.881 15.100 1.00 24.32 N ATOM 0 H GLN A 142 9.267 6.057 10.140 1.00 30.24 H new ATOM 0 HA GLN A 142 8.130 8.509 10.910 1.00 65.35 H new ATOM 0 HB2 GLN A 142 10.672 7.159 11.866 1.00 4.44 H new ATOM 0 HB3 GLN A 142 9.840 8.462 12.693 1.00 4.44 H new ATOM 0 HG2 GLN A 142 7.854 6.972 12.968 1.00 23.45 H new ATOM 0 HG3 GLN A 142 8.758 5.670 12.221 1.00 23.45 H new ATOM 0 HE21 GLN A 142 7.674 5.836 14.929 1.00 24.32 H new ATOM 0 HE22 GLN A 142 9.052 5.638 16.018 1.00 24.32 H new ATOM 2168 N ALA A 143 11.063 8.615 9.424 1.00 73.10 N ATOM 2169 CA ALA A 143 12.037 9.502 8.796 1.00 61.11 C ATOM 2170 C ALA A 143 11.392 10.290 7.664 1.00 61.33 C ATOM 2171 O ALA A 143 11.749 11.438 7.404 1.00 32.43 O ATOM 2172 CB ALA A 143 13.225 8.711 8.273 1.00 72.04 C ATOM 0 H ALA A 143 11.236 7.622 9.271 1.00 73.10 H new ATOM 0 HA ALA A 143 12.392 10.203 9.551 1.00 61.11 H new ATOM 0 HB1 ALA A 143 13.939 9.391 7.809 1.00 72.04 H new ATOM 0 HB2 ALA A 143 13.706 8.188 9.100 1.00 72.04 H new ATOM 0 HB3 ALA A 143 12.883 7.985 7.535 1.00 72.04 H new ATOM 2178 N MET A 144 10.441 9.667 7.006 1.00 53.04 N ATOM 2179 CA MET A 144 9.742 10.278 5.900 1.00 32.25 C ATOM 2180 C MET A 144 8.749 11.329 6.396 1.00 73.45 C ATOM 2181 O MET A 144 8.726 12.449 5.895 1.00 53.35 O ATOM 2182 CB MET A 144 9.012 9.203 5.081 1.00 50.35 C ATOM 2183 CG MET A 144 8.309 9.676 3.793 1.00 1.14 C ATOM 2184 SD MET A 144 9.408 9.946 2.349 1.00 22.15 S ATOM 2185 CE MET A 144 10.306 11.452 2.759 1.00 73.01 C ATOM 0 H MET A 144 10.130 8.720 7.224 1.00 53.04 H new ATOM 0 HA MET A 144 10.474 10.775 5.264 1.00 32.25 H new ATOM 0 HB2 MET A 144 9.733 8.431 4.812 1.00 50.35 H new ATOM 0 HB3 MET A 144 8.267 8.733 5.723 1.00 50.35 H new ATOM 0 HG2 MET A 144 7.554 8.939 3.520 1.00 1.14 H new ATOM 0 HG3 MET A 144 7.784 10.607 4.007 1.00 1.14 H new ATOM 0 HE1 MET A 144 10.420 12.063 1.864 1.00 73.01 H new ATOM 0 HE2 MET A 144 9.752 12.012 3.513 1.00 73.01 H new ATOM 0 HE3 MET A 144 11.290 11.194 3.149 1.00 73.01 H new ATOM 2195 N ALA A 145 7.965 10.977 7.402 1.00 32.02 N ATOM 2196 CA ALA A 145 6.928 11.875 7.906 1.00 34.34 C ATOM 2197 C ALA A 145 7.478 12.969 8.817 1.00 33.35 C ATOM 2198 O ALA A 145 6.939 14.081 8.852 1.00 64.01 O ATOM 2199 CB ALA A 145 5.834 11.098 8.616 1.00 21.11 C ATOM 0 H ALA A 145 8.023 10.081 7.887 1.00 32.02 H new ATOM 0 HA ALA A 145 6.504 12.372 7.033 1.00 34.34 H new ATOM 0 HB1 ALA A 145 5.075 11.790 8.981 1.00 21.11 H new ATOM 0 HB2 ALA A 145 5.378 10.393 7.920 1.00 21.11 H new ATOM 0 HB3 ALA A 145 6.262 10.552 9.457 1.00 21.11 H new ATOM 2205 N TYR A 146 8.519 12.669 9.562 1.00 40.21 N ATOM 2206 CA TYR A 146 9.077 13.649 10.457 1.00 51.30 C ATOM 2207 C TYR A 146 10.439 14.069 9.938 1.00 61.24 C ATOM 2208 O TYR A 146 11.470 13.646 10.505 1.00 37.25 O ATOM 2209 CB TYR A 146 9.209 13.093 11.891 1.00 11.23 C ATOM 2210 CG TYR A 146 7.955 12.446 12.452 1.00 4.34 C ATOM 2211 CD1 TYR A 146 6.836 13.196 12.792 1.00 23.13 C ATOM 2212 CD2 TYR A 146 7.905 11.073 12.655 1.00 13.41 C ATOM 2213 CE1 TYR A 146 5.705 12.589 13.315 1.00 35.24 C ATOM 2214 CE2 TYR A 146 6.786 10.463 13.171 1.00 0.31 C ATOM 2215 CZ TYR A 146 5.691 11.219 13.499 1.00 3.35 C ATOM 2216 OH TYR A 146 4.576 10.602 14.026 1.00 15.41 O ATOM 2217 OXT TYR A 146 10.499 14.802 8.941 1.00 37.25 O ATOM 0 H TYR A 146 8.989 11.764 9.564 1.00 40.21 H new ATOM 0 HA TYR A 146 8.407 14.508 10.496 1.00 51.30 H new ATOM 0 HB2 TYR A 146 10.015 12.359 11.906 1.00 11.23 H new ATOM 0 HB3 TYR A 146 9.506 13.906 12.553 1.00 11.23 H new ATOM 0 HD1 TYR A 146 6.848 14.266 12.647 1.00 23.13 H new ATOM 0 HD2 TYR A 146 8.765 10.471 12.402 1.00 13.41 H new ATOM 0 HE1 TYR A 146 4.841 13.182 13.577 1.00 35.24 H new ATOM 0 HE2 TYR A 146 6.770 9.393 13.317 1.00 0.31 H new ATOM 0 HH TYR A 146 4.734 9.637 14.087 1.00 15.41 H new TER 2227 TYR A 146