USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.62 X(o=-3.6,f=-4.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.128) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.15) USER MOD Single : A 43 LYS NZ :NH3+ -141:sc= 0.63 (180deg=-1.18) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.0468 (180deg=-0.318) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-1) USER MOD Single : A 58 GLN : amide:sc= -1.72 X(o=-1.7,f=-1.7) USER MOD Single : A 60 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-2.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00415 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -1.03 (180deg=-2.17!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 77 THR OG1 : rot 102:sc= 0.0288 USER MOD Single : A 80 GLN : amide:sc= -5.04! K(o=-5!,f=-0.82) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 87 TYR OH : rot -90:sc= -0.077 USER MOD Single : A 89 CYS SG : rot 108:sc= 2.25 USER MOD Single : A 92 SER OG : rot 89:sc= 0.0206 USER MOD Single : A 93 THR OG1 : rot -49:sc= -2.42 USER MOD Single : A 94 LYS NZ :NH3+ -130:sc= -4.01! (180deg=-9.64!) USER MOD Single : A 96 LYS NZ :NH3+ -115:sc=-0.000833 (180deg=-1.31!) USER MOD Single : A 99 CYS SG : rot -10:sc= -0.703 USER MOD Single : A 100 SER OG : rot 76:sc= -3.8! USER MOD Single : A 101 ASN : amide:sc= 0.716 K(o=0.72,f=-0.26) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.36! C(o=-1.4!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.711 -8.826 -0.952 1.00 0.70 N ATOM 14 CA ASP A 2 -20.815 -8.131 -1.586 1.00 0.72 C ATOM 15 C ASP A 2 -20.253 -7.079 -2.547 1.00 0.70 C ATOM 16 O ASP A 2 -19.205 -6.503 -2.259 1.00 0.75 O ATOM 17 CB ASP A 2 -21.629 -7.504 -0.466 1.00 0.79 C ATOM 18 CG ASP A 2 -22.598 -6.426 -0.905 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.654 -6.760 -1.478 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.311 -5.246 -0.626 1.00 1.65 O ATOM 0 HA ASP A 2 -21.450 -8.796 -2.172 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -22.189 -8.290 0.040 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -20.943 -7.079 0.267 1.00 0.79 H new ATOM 25 N PRO A 3 -20.903 -6.869 -3.707 1.00 0.71 N ATOM 26 CA PRO A 3 -20.418 -5.981 -4.778 1.00 0.72 C ATOM 27 C PRO A 3 -19.952 -4.602 -4.311 1.00 0.66 C ATOM 28 O PRO A 3 -20.738 -3.665 -4.182 1.00 0.97 O ATOM 29 CB PRO A 3 -21.624 -5.845 -5.699 1.00 0.84 C ATOM 30 CG PRO A 3 -22.368 -7.120 -5.519 1.00 0.94 C ATOM 31 CD PRO A 3 -22.174 -7.510 -4.079 1.00 0.81 C ATOM 0 HA PRO A 3 -19.529 -6.405 -5.244 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -22.237 -4.985 -5.428 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.319 -5.705 -6.736 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.425 -6.991 -5.750 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -21.987 -7.892 -6.188 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.996 -7.159 -3.456 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.125 -8.593 -3.961 1.00 0.81 H new ATOM 39 N ILE A 4 -18.662 -4.512 -4.042 1.00 0.45 N ATOM 40 CA ILE A 4 -18.005 -3.252 -3.724 1.00 0.41 C ATOM 41 C ILE A 4 -16.930 -2.973 -4.758 1.00 0.41 C ATOM 42 O ILE A 4 -16.873 -1.893 -5.346 1.00 0.50 O ATOM 43 CB ILE A 4 -17.370 -3.287 -2.307 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.367 -2.827 -1.246 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.110 -2.438 -2.222 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.454 -3.819 -0.979 1.00 0.46 C ATOM 0 H ILE A 4 -18.034 -5.316 -4.037 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.754 -2.460 -3.738 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.095 -4.324 -2.117 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.832 -2.628 -0.318 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.815 -1.886 -1.564 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.701 -2.493 -1.213 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.372 -2.810 -2.933 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.353 -1.402 -2.459 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.125 -3.426 -0.215 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -20.014 -4.000 -1.896 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -19.016 -4.754 -0.631 1.00 0.46 H new ATOM 58 N GLY A 5 -16.082 -3.968 -4.973 1.00 0.36 N ATOM 59 CA GLY A 5 -14.974 -3.795 -5.885 1.00 0.39 C ATOM 60 C GLY A 5 -13.849 -3.146 -5.148 1.00 0.33 C ATOM 61 O GLY A 5 -13.167 -2.262 -5.651 1.00 0.33 O ATOM 0 H GLY A 5 -16.142 -4.887 -4.534 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.659 -4.759 -6.285 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.275 -3.181 -6.734 1.00 0.39 H new ATOM 65 N LEU A 6 -13.692 -3.628 -3.927 1.00 0.32 N ATOM 66 CA LEU A 6 -12.837 -3.044 -2.923 1.00 0.29 C ATOM 67 C LEU A 6 -11.442 -2.815 -3.467 1.00 0.29 C ATOM 68 O LEU A 6 -10.888 -1.726 -3.356 1.00 0.33 O ATOM 69 CB LEU A 6 -12.816 -4.003 -1.740 1.00 0.29 C ATOM 70 CG LEU A 6 -12.477 -3.401 -0.394 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.407 -2.248 -0.054 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.561 -4.479 0.659 1.00 0.28 C ATOM 0 H LEU A 6 -14.175 -4.465 -3.602 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.214 -2.069 -2.616 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.795 -4.476 -1.666 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -12.095 -4.793 -1.953 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.464 -2.999 -0.430 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.137 -1.838 0.919 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.316 -1.471 -0.813 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.436 -2.607 -0.023 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.318 -4.055 1.634 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.571 -4.887 0.682 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.854 -5.274 0.423 1.00 0.28 H new ATOM 84 N PHE A 7 -10.906 -3.833 -4.100 1.00 0.30 N ATOM 85 CA PHE A 7 -9.576 -3.755 -4.637 1.00 0.32 C ATOM 86 C PHE A 7 -9.635 -3.291 -6.078 1.00 0.29 C ATOM 87 O PHE A 7 -9.659 -4.092 -7.016 1.00 0.32 O ATOM 88 CB PHE A 7 -8.895 -5.109 -4.519 1.00 0.41 C ATOM 89 CG PHE A 7 -7.550 -5.057 -3.860 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.355 -4.353 -2.683 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.483 -5.729 -4.411 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.112 -4.327 -2.076 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.247 -5.707 -3.816 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.057 -5.009 -2.649 1.00 0.61 C ATOM 0 H PHE A 7 -11.376 -4.725 -4.254 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.990 -3.031 -4.071 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.540 -5.781 -3.953 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.784 -5.537 -5.515 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.181 -3.820 -2.235 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.621 -6.283 -5.328 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.968 -3.776 -1.158 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.422 -6.239 -4.266 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.084 -4.993 -2.180 1.00 0.61 H new ATOM 104 N VAL A 8 -9.699 -1.983 -6.225 1.00 0.28 N ATOM 105 CA VAL A 8 -9.775 -1.349 -7.527 1.00 0.34 C ATOM 106 C VAL A 8 -8.424 -1.420 -8.224 1.00 0.44 C ATOM 107 O VAL A 8 -8.338 -1.769 -9.400 1.00 0.63 O ATOM 108 CB VAL A 8 -10.224 0.119 -7.392 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.497 0.727 -8.762 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.450 0.210 -6.496 1.00 0.33 C ATOM 0 H VAL A 8 -9.700 -1.328 -5.443 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.513 -1.882 -8.127 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.419 0.692 -6.931 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.813 1.764 -8.644 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.589 0.691 -9.364 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.285 0.162 -9.260 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.759 1.251 -6.407 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.262 -0.374 -6.930 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.209 -0.182 -5.508 1.00 0.33 H new ATOM 120 N MET A 9 -7.370 -1.087 -7.488 1.00 0.43 N ATOM 121 CA MET A 9 -6.013 -1.230 -7.989 1.00 0.65 C ATOM 122 C MET A 9 -5.087 -1.717 -6.910 1.00 0.44 C ATOM 123 O MET A 9 -5.060 -1.175 -5.804 1.00 0.44 O ATOM 124 CB MET A 9 -5.452 0.065 -8.552 1.00 1.05 C ATOM 125 CG MET A 9 -5.968 0.378 -9.933 1.00 1.45 C ATOM 126 SD MET A 9 -5.530 -0.897 -11.134 1.00 2.35 S ATOM 127 CE MET A 9 -6.223 -0.205 -12.632 1.00 2.88 C ATOM 0 H MET A 9 -7.432 -0.715 -6.540 1.00 0.43 H new ATOM 0 HA MET A 9 -6.073 -1.960 -8.796 1.00 0.65 H new ATOM 0 HB2 MET A 9 -5.704 0.886 -7.881 1.00 1.05 H new ATOM 0 HB3 MET A 9 -4.364 0.001 -8.582 1.00 1.05 H new ATOM 0 HG2 MET A 9 -7.052 0.484 -9.898 1.00 1.45 H new ATOM 0 HG3 MET A 9 -5.565 1.336 -10.260 1.00 1.45 H new ATOM 0 HE1 MET A 9 -6.033 -0.880 -13.466 1.00 2.88 H new ATOM 0 HE2 MET A 9 -7.298 -0.074 -12.509 1.00 2.88 H new ATOM 0 HE3 MET A 9 -5.760 0.761 -12.834 1.00 2.88 H new ATOM 137 N ARG A 10 -4.331 -2.731 -7.243 1.00 0.47 N ATOM 138 CA ARG A 10 -3.298 -3.220 -6.372 1.00 0.41 C ATOM 139 C ARG A 10 -1.954 -2.699 -6.861 1.00 0.39 C ATOM 140 O ARG A 10 -1.674 -2.717 -8.060 1.00 0.45 O ATOM 141 CB ARG A 10 -3.328 -4.754 -6.315 1.00 0.46 C ATOM 142 CG ARG A 10 -3.275 -5.444 -7.673 1.00 0.97 C ATOM 143 CD ARG A 10 -3.711 -6.901 -7.573 1.00 1.34 C ATOM 144 NE ARG A 10 -5.158 -7.029 -7.355 1.00 2.11 N ATOM 145 CZ ARG A 10 -5.732 -7.916 -6.527 1.00 2.72 C ATOM 146 NH1 ARG A 10 -4.988 -8.754 -5.812 1.00 2.74 N ATOM 147 NH2 ARG A 10 -7.059 -7.958 -6.413 1.00 3.67 N ATOM 0 H ARG A 10 -4.415 -3.239 -8.124 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.463 -2.859 -5.357 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.486 -5.098 -5.715 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.236 -5.067 -5.799 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.920 -4.917 -8.376 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.261 -5.392 -8.070 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -3.434 -7.426 -8.487 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -3.177 -7.384 -6.755 1.00 1.34 H new ATOM 0 HE ARG A 10 -5.771 -6.398 -7.870 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -3.971 -8.727 -5.890 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -5.434 -9.424 -5.186 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -7.638 -7.316 -6.955 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -7.496 -8.632 -5.784 1.00 3.67 H new ATOM 161 N PRO A 11 -1.128 -2.163 -5.954 1.00 0.43 N ATOM 162 CA PRO A 11 0.196 -1.680 -6.302 1.00 0.50 C ATOM 163 C PRO A 11 1.159 -2.840 -6.424 1.00 0.47 C ATOM 164 O PRO A 11 0.913 -3.916 -5.885 1.00 0.54 O ATOM 165 CB PRO A 11 0.569 -0.781 -5.129 1.00 0.62 C ATOM 166 CG PRO A 11 -0.171 -1.333 -3.976 1.00 0.64 C ATOM 167 CD PRO A 11 -1.418 -1.994 -4.523 1.00 0.53 C ATOM 0 HA PRO A 11 0.228 -1.156 -7.257 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.644 -0.791 -4.950 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.287 0.255 -5.320 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.441 -2.054 -3.435 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.431 -0.543 -3.271 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.609 -2.951 -4.038 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.301 -1.375 -4.364 1.00 0.53 H new ATOM 175 N GLN A 12 2.241 -2.640 -7.144 1.00 0.44 N ATOM 176 CA GLN A 12 3.135 -3.726 -7.426 1.00 0.43 C ATOM 177 C GLN A 12 4.517 -3.482 -6.865 1.00 0.37 C ATOM 178 O GLN A 12 4.766 -2.465 -6.224 1.00 0.40 O ATOM 179 CB GLN A 12 3.190 -3.948 -8.920 1.00 0.55 C ATOM 180 CG GLN A 12 1.810 -4.131 -9.530 1.00 0.73 C ATOM 181 CD GLN A 12 0.976 -5.107 -8.810 1.00 1.06 C ATOM 182 OE1 GLN A 12 -0.241 -4.986 -8.723 1.00 1.43 O ATOM 183 NE2 GLN A 12 1.609 -6.112 -8.346 1.00 1.32 N ATOM 0 H GLN A 12 2.516 -1.741 -7.539 1.00 0.44 H new ATOM 0 HA GLN A 12 2.754 -4.623 -6.937 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.683 -3.099 -9.393 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.797 -4.828 -9.132 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.298 -3.169 -9.546 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.919 -4.452 -10.566 1.00 0.73 H new ATOM 0 HE21 GLN A 12 2.623 -6.166 -8.444 1.00 1.32 H new ATOM 0 HE22 GLN A 12 1.101 -6.862 -7.877 1.00 1.32 H new ATOM 192 N ASP A 13 5.402 -4.430 -7.117 1.00 0.34 N ATOM 193 CA ASP A 13 6.703 -4.457 -6.581 1.00 0.33 C ATOM 194 C ASP A 13 7.567 -3.368 -7.174 1.00 0.36 C ATOM 195 O ASP A 13 7.106 -2.294 -7.573 1.00 0.50 O ATOM 196 CB ASP A 13 7.283 -5.829 -6.919 1.00 0.35 C ATOM 197 CG ASP A 13 6.971 -6.254 -8.342 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.878 -6.814 -8.570 1.00 2.06 O ATOM 199 OD2 ASP A 13 7.801 -6.008 -9.237 1.00 1.03 O ATOM 0 H ASP A 13 5.202 -5.222 -7.728 1.00 0.34 H new ATOM 0 HA ASP A 13 6.674 -4.286 -5.505 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.364 -5.809 -6.777 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.885 -6.570 -6.226 1.00 0.35 H new ATOM 204 N GLY A 14 8.813 -3.692 -7.268 1.00 0.30 N ATOM 205 CA GLY A 14 9.796 -2.755 -7.711 1.00 0.30 C ATOM 206 C GLY A 14 11.166 -3.092 -7.210 1.00 0.25 C ATOM 207 O GLY A 14 11.374 -3.407 -6.038 1.00 0.28 O ATOM 0 H GLY A 14 9.182 -4.615 -7.040 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.806 -2.729 -8.801 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.522 -1.756 -7.371 1.00 0.30 H new ATOM 211 N GLU A 15 12.082 -3.036 -8.122 1.00 0.26 N ATOM 212 CA GLU A 15 13.479 -3.232 -7.830 1.00 0.25 C ATOM 213 C GLU A 15 14.182 -1.907 -7.986 1.00 0.23 C ATOM 214 O GLU A 15 14.366 -1.417 -9.098 1.00 0.30 O ATOM 215 CB GLU A 15 14.098 -4.266 -8.761 1.00 0.33 C ATOM 216 CG GLU A 15 13.542 -5.667 -8.596 1.00 0.69 C ATOM 217 CD GLU A 15 14.388 -6.681 -9.322 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.423 -7.104 -8.766 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.997 -7.088 -10.436 1.00 1.53 O ATOM 0 H GLU A 15 11.886 -2.851 -9.106 1.00 0.26 H new ATOM 0 HA GLU A 15 13.587 -3.605 -6.811 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.946 -3.947 -9.792 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.174 -4.293 -8.591 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.496 -5.920 -7.537 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.521 -5.703 -8.977 1.00 0.69 H new ATOM 226 N VAL A 16 14.565 -1.320 -6.876 1.00 0.20 N ATOM 227 CA VAL A 16 15.068 -0.018 -6.864 1.00 0.21 C ATOM 228 C VAL A 16 16.394 -0.075 -6.184 1.00 0.22 C ATOM 229 O VAL A 16 16.720 -1.039 -5.515 1.00 0.27 O ATOM 230 CB VAL A 16 14.124 0.936 -6.118 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.681 0.674 -6.519 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.306 0.841 -4.604 1.00 0.23 C ATOM 0 H VAL A 16 14.525 -1.762 -5.958 1.00 0.20 H new ATOM 0 HA VAL A 16 15.162 0.363 -7.881 1.00 0.21 H new ATOM 0 HB VAL A 16 14.380 1.956 -6.406 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.024 1.358 -5.982 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.568 0.829 -7.592 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.415 -0.354 -6.271 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.621 1.531 -4.111 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.095 -0.177 -4.275 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.332 1.101 -4.344 1.00 0.23 H new ATOM 242 N THR A 17 17.138 0.936 -6.371 1.00 0.23 N ATOM 243 CA THR A 17 18.446 1.032 -5.774 1.00 0.27 C ATOM 244 C THR A 17 18.353 1.883 -4.522 1.00 0.28 C ATOM 245 O THR A 17 17.432 2.696 -4.383 1.00 0.28 O ATOM 246 CB THR A 17 19.452 1.665 -6.743 1.00 0.35 C ATOM 247 OG1 THR A 17 19.082 1.331 -8.087 1.00 0.77 O ATOM 248 CG2 THR A 17 20.873 1.179 -6.480 1.00 0.56 C ATOM 0 H THR A 17 16.876 1.739 -6.943 1.00 0.23 H new ATOM 0 HA THR A 17 18.792 0.028 -5.530 1.00 0.27 H new ATOM 0 HB THR A 17 19.432 2.745 -6.594 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.720 1.734 -8.712 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.556 1.650 -7.187 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.165 1.442 -5.463 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.916 0.097 -6.601 1.00 0.56 H new ATOM 256 N VAL A 18 19.280 1.684 -3.614 1.00 0.31 N ATOM 257 CA VAL A 18 19.350 2.497 -2.429 1.00 0.35 C ATOM 258 C VAL A 18 19.709 3.887 -2.828 1.00 0.36 C ATOM 259 O VAL A 18 20.836 4.190 -3.218 1.00 0.39 O ATOM 260 CB VAL A 18 20.406 2.074 -1.428 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.112 2.675 -0.063 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.553 0.571 -1.355 1.00 0.78 C ATOM 0 H VAL A 18 19.998 0.962 -3.677 1.00 0.31 H new ATOM 0 HA VAL A 18 18.373 2.400 -1.956 1.00 0.35 H new ATOM 0 HB VAL A 18 21.365 2.460 -1.773 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.879 2.362 0.645 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.109 3.762 -0.137 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.137 2.332 0.283 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.321 0.316 -0.625 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.604 0.127 -1.054 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.840 0.186 -2.333 1.00 0.78 H new ATOM 272 N GLY A 19 18.729 4.685 -2.743 1.00 0.38 N ATOM 273 CA GLY A 19 18.879 6.090 -3.001 1.00 0.45 C ATOM 274 C GLY A 19 17.967 6.552 -4.100 1.00 0.40 C ATOM 275 O GLY A 19 18.054 7.699 -4.546 1.00 0.48 O ATOM 0 H GLY A 19 17.782 4.401 -2.492 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.667 6.652 -2.091 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.913 6.302 -3.273 1.00 0.45 H new ATOM 279 N GLY A 20 17.088 5.668 -4.562 1.00 0.32 N ATOM 280 CA GLY A 20 16.111 6.086 -5.491 1.00 0.32 C ATOM 281 C GLY A 20 14.837 6.340 -4.787 1.00 0.30 C ATOM 282 O GLY A 20 14.748 7.124 -3.844 1.00 0.44 O ATOM 0 H GLY A 20 17.052 4.683 -4.299 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.443 6.990 -6.002 1.00 0.32 H new ATOM 0 HA3 GLY A 20 15.970 5.322 -6.255 1.00 0.32 H new ATOM 286 N SER A 21 13.865 5.679 -5.267 1.00 0.24 N ATOM 287 CA SER A 21 12.577 5.681 -4.713 1.00 0.22 C ATOM 288 C SER A 21 11.891 4.383 -5.015 1.00 0.22 C ATOM 289 O SER A 21 12.401 3.537 -5.740 1.00 0.25 O ATOM 290 CB SER A 21 11.787 6.826 -5.282 1.00 0.30 C ATOM 291 OG SER A 21 11.901 6.898 -6.694 1.00 0.82 O ATOM 0 H SER A 21 13.949 5.093 -6.098 1.00 0.24 H new ATOM 0 HA SER A 21 12.649 5.798 -3.632 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.738 6.715 -5.008 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.134 7.761 -4.842 1.00 0.30 H new ATOM 0 HG SER A 21 11.373 7.653 -7.027 1.00 0.82 H new ATOM 297 N ILE A 22 10.742 4.265 -4.445 1.00 0.22 N ATOM 298 CA ILE A 22 9.781 3.283 -4.773 1.00 0.24 C ATOM 299 C ILE A 22 8.429 3.908 -4.586 1.00 0.25 C ATOM 300 O ILE A 22 8.216 4.810 -3.778 1.00 0.27 O ATOM 301 CB ILE A 22 9.912 1.995 -3.963 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.020 0.904 -4.539 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.597 2.191 -2.489 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.354 0.499 -5.960 1.00 0.32 C ATOM 0 H ILE A 22 10.436 4.888 -3.697 1.00 0.22 H new ATOM 0 HA ILE A 22 9.938 2.971 -5.806 1.00 0.24 H new ATOM 0 HB ILE A 22 10.956 1.691 -4.035 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.086 0.024 -3.899 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.985 1.245 -4.506 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.707 1.242 -1.964 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.285 2.922 -2.064 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.573 2.549 -2.380 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.668 -0.282 -6.286 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.258 1.364 -6.617 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.377 0.124 -6.001 1.00 0.32 H new ATOM 316 N THR A 23 7.563 3.476 -5.388 1.00 0.25 N ATOM 317 CA THR A 23 6.237 4.046 -5.456 1.00 0.23 C ATOM 318 C THR A 23 5.217 2.962 -5.652 1.00 0.24 C ATOM 319 O THR A 23 5.362 2.083 -6.504 1.00 0.28 O ATOM 320 CB THR A 23 6.085 5.092 -6.574 1.00 0.26 C ATOM 321 OG1 THR A 23 7.187 6.008 -6.532 1.00 0.31 O ATOM 322 CG2 THR A 23 4.775 5.869 -6.422 1.00 0.24 C ATOM 0 H THR A 23 7.724 2.707 -6.039 1.00 0.25 H new ATOM 0 HA THR A 23 6.074 4.557 -4.507 1.00 0.23 H new ATOM 0 HB THR A 23 6.072 4.570 -7.531 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.088 6.672 -7.246 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.692 6.602 -7.224 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.934 5.178 -6.473 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.765 6.381 -5.460 1.00 0.24 H new ATOM 330 N PHE A 24 4.212 3.024 -4.839 1.00 0.24 N ATOM 331 CA PHE A 24 3.081 2.142 -4.943 1.00 0.27 C ATOM 332 C PHE A 24 1.816 2.975 -5.030 1.00 0.24 C ATOM 333 O PHE A 24 1.713 4.044 -4.428 1.00 0.30 O ATOM 334 CB PHE A 24 3.018 1.232 -3.726 1.00 0.40 C ATOM 335 CG PHE A 24 4.330 0.596 -3.369 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.712 -0.603 -3.951 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.177 1.190 -2.452 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.913 -1.191 -3.625 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.385 0.603 -2.124 1.00 0.51 C ATOM 340 CZ PHE A 24 6.760 -0.570 -2.706 1.00 0.49 C ATOM 0 H PHE A 24 4.147 3.694 -4.073 1.00 0.24 H new ATOM 0 HA PHE A 24 3.178 1.524 -5.836 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.662 1.809 -2.872 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.284 0.447 -3.910 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.060 -1.081 -4.668 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.892 2.122 -1.987 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.199 -2.129 -4.078 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.034 1.077 -1.403 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.710 -1.018 -2.457 1.00 0.49 H new ATOM 350 N SER A 25 0.886 2.489 -5.798 1.00 0.28 N ATOM 351 CA SER A 25 -0.396 3.119 -5.972 1.00 0.28 C ATOM 352 C SER A 25 -1.506 2.102 -5.820 1.00 0.27 C ATOM 353 O SER A 25 -1.615 1.141 -6.577 1.00 0.31 O ATOM 354 CB SER A 25 -0.477 3.812 -7.318 1.00 0.35 C ATOM 355 OG SER A 25 0.401 3.213 -8.264 1.00 0.58 O ATOM 0 H SER A 25 0.996 1.627 -6.333 1.00 0.28 H new ATOM 0 HA SER A 25 -0.517 3.877 -5.198 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.500 3.768 -7.691 1.00 0.35 H new ATOM 0 HB3 SER A 25 -0.225 4.866 -7.202 1.00 0.35 H new ATOM 0 HG SER A 25 0.325 3.680 -9.122 1.00 0.58 H new ATOM 361 N ALA A 26 -2.313 2.345 -4.828 1.00 0.26 N ATOM 362 CA ALA A 26 -3.353 1.412 -4.417 1.00 0.26 C ATOM 363 C ALA A 26 -4.720 2.083 -4.381 1.00 0.22 C ATOM 364 O ALA A 26 -4.944 3.018 -3.610 1.00 0.25 O ATOM 365 CB ALA A 26 -3.005 0.838 -3.052 1.00 0.32 C ATOM 0 H ALA A 26 -2.278 3.198 -4.270 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.405 0.606 -5.149 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.782 0.139 -2.742 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.050 0.316 -3.110 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.933 1.647 -2.325 1.00 0.32 H new ATOM 371 N ARG A 27 -5.636 1.615 -5.217 1.00 0.22 N ATOM 372 CA ARG A 27 -6.968 2.190 -5.268 1.00 0.25 C ATOM 373 C ARG A 27 -7.981 1.272 -4.586 1.00 0.23 C ATOM 374 O ARG A 27 -8.074 0.090 -4.916 1.00 0.31 O ATOM 375 CB ARG A 27 -7.376 2.421 -6.717 1.00 0.36 C ATOM 376 CG ARG A 27 -6.402 3.287 -7.500 1.00 0.28 C ATOM 377 CD ARG A 27 -6.821 3.390 -8.955 1.00 0.46 C ATOM 378 NE ARG A 27 -5.793 4.011 -9.798 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.814 5.279 -10.214 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.739 6.126 -9.776 1.00 1.46 N ATOM 381 NH2 ARG A 27 -4.889 5.704 -11.065 1.00 2.43 N ATOM 0 H ARG A 27 -5.480 0.843 -5.865 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.953 3.143 -4.738 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.471 1.456 -7.216 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.360 2.889 -6.737 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.358 4.283 -7.058 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.399 2.864 -7.435 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -7.044 2.393 -9.336 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.741 3.971 -9.024 1.00 0.46 H new ATOM 0 HE ARG A 27 -5.005 3.431 -10.087 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.446 5.810 -9.112 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.742 7.092 -10.103 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -4.168 5.063 -11.397 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -4.899 6.672 -11.387 1.00 2.43 H new ATOM 395 N VAL A 28 -8.749 1.826 -3.651 1.00 0.19 N ATOM 396 CA VAL A 28 -9.730 1.069 -2.906 1.00 0.20 C ATOM 397 C VAL A 28 -11.088 1.738 -2.997 1.00 0.23 C ATOM 398 O VAL A 28 -11.250 2.925 -2.726 1.00 0.24 O ATOM 399 CB VAL A 28 -9.359 0.919 -1.425 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.257 -0.121 -0.769 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.891 0.555 -1.284 1.00 0.23 C ATOM 0 H VAL A 28 -8.703 2.812 -3.395 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.759 0.075 -3.353 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.514 1.870 -0.916 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -9.988 -0.223 0.282 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.297 0.194 -0.849 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.129 -1.080 -1.270 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.642 0.452 -0.228 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.699 -0.388 -1.796 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.277 1.340 -1.727 1.00 0.23 H new ATOM 411 N ALA A 29 -12.034 0.943 -3.401 1.00 0.29 N ATOM 412 CA ALA A 29 -13.420 1.339 -3.572 1.00 0.32 C ATOM 413 C ALA A 29 -14.036 1.870 -2.293 1.00 0.34 C ATOM 414 O ALA A 29 -14.240 1.135 -1.331 1.00 0.40 O ATOM 415 CB ALA A 29 -14.223 0.156 -4.064 1.00 0.38 C ATOM 0 H ALA A 29 -11.866 -0.036 -3.631 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.440 2.148 -4.302 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.264 0.451 -4.193 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.822 -0.185 -5.018 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.163 -0.653 -3.336 1.00 0.38 H new ATOM 421 N GLY A 30 -14.323 3.155 -2.319 1.00 0.35 N ATOM 422 CA GLY A 30 -15.073 3.798 -1.251 1.00 0.42 C ATOM 423 C GLY A 30 -16.370 3.067 -0.943 1.00 0.50 C ATOM 424 O GLY A 30 -16.603 2.677 0.188 1.00 0.76 O ATOM 0 H GLY A 30 -14.047 3.783 -3.074 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.459 3.840 -0.352 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.296 4.827 -1.533 1.00 0.42 H new ATOM 428 N ALA A 31 -17.216 2.920 -1.966 1.00 0.49 N ATOM 429 CA ALA A 31 -18.403 2.049 -1.925 1.00 0.55 C ATOM 430 C ALA A 31 -19.494 2.515 -0.962 1.00 0.64 C ATOM 431 O ALA A 31 -19.364 3.524 -0.271 1.00 0.71 O ATOM 432 CB ALA A 31 -17.993 0.627 -1.597 1.00 0.58 C ATOM 0 H ALA A 31 -17.099 3.405 -2.856 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.844 2.100 -2.921 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.877 -0.009 -1.569 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.307 0.261 -2.361 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.500 0.606 -0.625 1.00 0.58 H new ATOM 438 N SER A 32 -20.590 1.763 -0.964 1.00 0.85 N ATOM 439 CA SER A 32 -21.699 1.982 -0.050 1.00 0.96 C ATOM 440 C SER A 32 -21.665 0.939 1.066 1.00 1.01 C ATOM 441 O SER A 32 -22.679 0.641 1.700 1.00 1.69 O ATOM 442 CB SER A 32 -23.016 1.912 -0.822 1.00 1.19 C ATOM 443 OG SER A 32 -23.050 0.777 -1.670 1.00 1.74 O ATOM 0 H SER A 32 -20.732 0.981 -1.604 1.00 0.85 H new ATOM 0 HA SER A 32 -21.613 2.970 0.403 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.850 1.872 -0.122 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.142 2.817 -1.416 1.00 1.19 H new ATOM 0 HG SER A 32 -23.903 0.754 -2.152 1.00 1.74 H new ATOM 449 N LEU A 33 -20.474 0.381 1.267 1.00 0.96 N ATOM 450 CA LEU A 33 -20.186 -0.573 2.341 1.00 0.93 C ATOM 451 C LEU A 33 -20.611 -0.054 3.724 1.00 0.90 C ATOM 452 O LEU A 33 -20.980 1.113 3.873 1.00 0.98 O ATOM 453 CB LEU A 33 -18.685 -0.949 2.316 1.00 0.99 C ATOM 454 CG LEU A 33 -17.628 0.147 2.582 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.458 -0.043 1.629 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.164 1.571 2.478 1.00 1.95 C ATOM 0 H LEU A 33 -19.665 0.581 0.679 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.782 -1.468 2.160 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.532 -1.738 3.053 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.471 -1.380 1.338 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.310 0.028 3.618 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -15.710 0.728 1.813 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.014 -1.025 1.790 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.811 0.032 0.600 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.359 2.278 2.679 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -18.554 1.740 1.474 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.962 1.713 3.207 1.00 1.95 H new ATOM 468 N LEU A 34 -20.549 -0.937 4.728 1.00 0.87 N ATOM 469 CA LEU A 34 -20.997 -0.612 6.086 1.00 0.89 C ATOM 470 C LEU A 34 -20.352 0.687 6.554 1.00 0.84 C ATOM 471 O LEU A 34 -21.028 1.606 7.015 1.00 0.95 O ATOM 472 CB LEU A 34 -20.653 -1.754 7.044 1.00 1.01 C ATOM 473 CG LEU A 34 -21.441 -1.741 8.349 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.908 -2.026 8.083 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.863 -2.739 9.337 1.00 1.47 C ATOM 0 H LEU A 34 -20.191 -1.886 4.624 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.079 -0.481 6.078 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.829 -2.703 6.537 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.589 -1.709 7.276 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.361 -0.748 8.792 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.458 -2.013 9.024 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.312 -1.264 7.417 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.010 -3.006 7.617 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.441 -2.713 10.261 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.907 -3.741 8.910 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.826 -2.481 9.550 1.00 1.47 H new ATOM 487 N LYS A 35 -19.041 0.739 6.428 1.00 0.76 N ATOM 488 CA LYS A 35 -18.290 1.966 6.579 1.00 0.76 C ATOM 489 C LYS A 35 -17.053 1.875 5.706 1.00 0.65 C ATOM 490 O LYS A 35 -16.652 0.764 5.354 1.00 0.75 O ATOM 491 CB LYS A 35 -17.944 2.256 8.054 1.00 0.90 C ATOM 492 CG LYS A 35 -17.517 1.051 8.895 1.00 0.92 C ATOM 493 CD LYS A 35 -16.180 0.467 8.466 1.00 0.90 C ATOM 494 CE LYS A 35 -15.520 -0.313 9.598 1.00 1.00 C ATOM 495 NZ LYS A 35 -16.442 -1.305 10.219 1.00 1.40 N ATOM 0 H LYS A 35 -18.464 -0.075 6.217 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.900 2.810 6.255 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -17.142 2.994 8.080 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.813 2.714 8.527 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.457 1.349 9.942 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.283 0.278 8.827 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.327 -0.189 7.608 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.518 1.270 8.143 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.640 -0.830 9.214 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -15.173 0.384 10.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -15.909 -1.912 10.874 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -17.190 -0.805 10.741 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -16.872 -1.892 9.476 1.00 1.40 H new ATOM 509 N PRO A 36 -16.458 3.025 5.321 1.00 0.65 N ATOM 510 CA PRO A 36 -15.317 3.074 4.392 1.00 0.56 C ATOM 511 C PRO A 36 -14.282 1.990 4.670 1.00 0.45 C ATOM 512 O PRO A 36 -14.030 1.655 5.831 1.00 0.47 O ATOM 513 CB PRO A 36 -14.731 4.461 4.651 1.00 0.61 C ATOM 514 CG PRO A 36 -15.906 5.292 5.022 1.00 0.88 C ATOM 515 CD PRO A 36 -16.844 4.379 5.771 1.00 0.88 C ATOM 0 HA PRO A 36 -15.619 2.902 3.359 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.992 4.437 5.452 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.230 4.853 3.766 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.606 6.136 5.642 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.388 5.703 4.135 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.732 4.489 6.850 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.886 4.596 5.535 1.00 0.88 H new ATOM 523 N PRO A 37 -13.661 1.438 3.609 1.00 0.40 N ATOM 524 CA PRO A 37 -12.735 0.316 3.741 1.00 0.35 C ATOM 525 C PRO A 37 -11.675 0.544 4.799 1.00 0.32 C ATOM 526 O PRO A 37 -11.163 1.656 4.976 1.00 0.36 O ATOM 527 CB PRO A 37 -12.051 0.209 2.390 1.00 0.40 C ATOM 528 CG PRO A 37 -12.816 1.058 1.430 1.00 0.53 C ATOM 529 CD PRO A 37 -13.789 1.903 2.208 1.00 0.47 C ATOM 0 HA PRO A 37 -13.280 -0.580 4.039 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.016 0.544 2.457 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.030 -0.827 2.052 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.136 1.691 0.860 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.347 0.433 0.712 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.550 2.963 2.120 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.807 1.774 1.840 1.00 0.47 H new ATOM 537 N VAL A 38 -11.340 -0.518 5.488 1.00 0.29 N ATOM 538 CA VAL A 38 -10.227 -0.499 6.379 1.00 0.27 C ATOM 539 C VAL A 38 -9.117 -1.127 5.624 1.00 0.22 C ATOM 540 O VAL A 38 -9.081 -2.338 5.410 1.00 0.20 O ATOM 541 CB VAL A 38 -10.412 -1.300 7.663 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.512 -0.771 8.772 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.861 -1.332 8.093 1.00 0.77 C ATOM 0 H VAL A 38 -11.833 -1.410 5.442 1.00 0.29 H new ATOM 0 HA VAL A 38 -10.063 0.532 6.692 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.115 -2.328 7.457 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.664 -1.360 9.676 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.470 -0.845 8.461 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.757 0.272 8.973 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.955 -1.911 9.011 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -12.211 -0.315 8.268 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.463 -1.793 7.310 1.00 0.77 H new ATOM 553 N VAL A 39 -8.255 -0.303 5.194 1.00 0.22 N ATOM 554 CA VAL A 39 -7.125 -0.719 4.445 1.00 0.21 C ATOM 555 C VAL A 39 -5.913 -0.461 5.269 1.00 0.20 C ATOM 556 O VAL A 39 -5.577 0.681 5.592 1.00 0.23 O ATOM 557 CB VAL A 39 -6.946 0.043 3.130 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.092 -0.756 2.159 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.280 0.433 2.518 1.00 0.24 C ATOM 0 H VAL A 39 -8.306 0.704 5.350 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.272 -1.771 4.202 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.421 0.972 3.351 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.977 -0.197 1.231 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.111 -0.934 2.599 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.575 -1.711 1.950 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.109 0.972 1.586 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.864 -0.465 2.316 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.826 1.072 3.212 1.00 0.24 H new ATOM 569 N LYS A 40 -5.284 -1.516 5.618 1.00 0.19 N ATOM 570 CA LYS A 40 -4.045 -1.468 6.291 1.00 0.20 C ATOM 571 C LYS A 40 -2.952 -1.801 5.339 1.00 0.19 C ATOM 572 O LYS A 40 -3.029 -2.725 4.526 1.00 0.21 O ATOM 573 CB LYS A 40 -4.030 -2.399 7.496 1.00 0.26 C ATOM 574 CG LYS A 40 -4.472 -3.820 7.188 1.00 0.31 C ATOM 575 CD LYS A 40 -3.324 -4.672 6.653 1.00 0.37 C ATOM 576 CE LYS A 40 -2.523 -5.318 7.767 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.182 -6.554 8.262 1.00 1.54 N ATOM 0 H LYS A 40 -5.624 -2.461 5.440 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.890 -0.458 6.670 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.022 -2.425 7.909 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.680 -1.987 8.268 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.874 -4.279 8.092 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.279 -3.798 6.456 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.723 -5.447 5.998 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.665 -4.051 6.047 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.522 -5.557 7.406 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.406 -4.612 8.589 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -2.665 -6.916 9.089 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -4.163 -6.340 8.533 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -3.180 -7.273 7.511 1.00 1.54 H new ATOM 591 N TRP A 41 -1.994 -0.967 5.396 1.00 0.18 N ATOM 592 CA TRP A 41 -0.773 -1.171 4.694 1.00 0.19 C ATOM 593 C TRP A 41 0.249 -1.885 5.533 1.00 0.21 C ATOM 594 O TRP A 41 0.306 -1.761 6.757 1.00 0.28 O ATOM 595 CB TRP A 41 -0.233 0.159 4.260 1.00 0.21 C ATOM 596 CG TRP A 41 -1.008 0.741 3.153 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.119 1.512 3.247 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.748 0.545 1.775 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.513 1.896 1.981 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.699 1.284 1.067 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.213 -0.179 1.073 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.717 1.325 -0.313 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.194 -0.145 -0.302 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.766 0.604 -0.982 1.00 0.33 C ATOM 0 H TRP A 41 -2.026 -0.104 5.939 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.980 -1.801 3.829 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.241 0.846 5.106 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.806 0.044 3.952 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.617 1.783 4.166 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.282 2.530 1.763 1.00 0.24 H new ATOM 0 HE3 TRP A 41 0.959 -0.756 1.599 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.456 1.906 -0.845 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 0.930 -0.704 -0.861 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.759 0.615 -2.062 1.00 0.33 H new ATOM 615 N PHE A 42 1.056 -2.623 4.836 1.00 0.21 N ATOM 616 CA PHE A 42 2.221 -3.231 5.392 1.00 0.23 C ATOM 617 C PHE A 42 3.325 -2.880 4.438 1.00 0.26 C ATOM 618 O PHE A 42 3.117 -2.832 3.233 1.00 0.34 O ATOM 619 CB PHE A 42 2.062 -4.750 5.543 1.00 0.26 C ATOM 620 CG PHE A 42 3.054 -5.380 6.482 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.813 -5.430 7.845 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.234 -5.916 5.997 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.732 -6.005 8.707 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.155 -6.491 6.852 1.00 0.50 C ATOM 625 CZ PHE A 42 4.872 -6.550 8.232 1.00 0.60 C ATOM 0 H PHE A 42 0.919 -2.823 3.845 1.00 0.21 H new ATOM 0 HA PHE A 42 2.422 -2.872 6.401 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.054 -4.966 5.898 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.161 -5.214 4.562 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.897 -5.016 8.240 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.438 -5.885 4.937 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.535 -6.017 9.769 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.082 -6.891 6.467 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.565 -7.030 8.907 1.00 0.60 H new ATOM 635 N LYS A 43 4.446 -2.541 4.982 1.00 0.28 N ATOM 636 CA LYS A 43 5.567 -2.057 4.228 1.00 0.31 C ATOM 637 C LYS A 43 6.501 -3.250 4.031 1.00 0.39 C ATOM 638 O LYS A 43 6.128 -4.307 4.478 1.00 0.81 O ATOM 639 CB LYS A 43 6.241 -0.878 4.953 1.00 0.40 C ATOM 640 CG LYS A 43 7.396 -0.284 4.176 1.00 0.54 C ATOM 641 CD LYS A 43 7.856 1.039 4.739 1.00 0.67 C ATOM 642 CE LYS A 43 8.981 1.597 3.896 1.00 1.29 C ATOM 643 NZ LYS A 43 9.455 2.910 4.396 1.00 2.17 N ATOM 0 H LYS A 43 4.618 -2.592 5.986 1.00 0.28 H new ATOM 0 HA LYS A 43 5.267 -1.663 3.257 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.499 -0.102 5.139 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.600 -1.215 5.925 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.230 -0.986 4.179 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.098 -0.148 3.136 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.024 1.743 4.762 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.192 0.909 5.768 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.812 0.891 3.888 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.643 1.703 2.865 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.667 3.532 3.590 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 8.716 3.345 4.984 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 10.315 2.775 4.965 1.00 2.17 H new ATOM 657 N GLY A 44 7.578 -3.073 3.239 1.00 0.64 N ATOM 658 CA GLY A 44 8.758 -3.989 3.141 1.00 0.92 C ATOM 659 C GLY A 44 8.979 -4.985 4.300 1.00 0.39 C ATOM 660 O GLY A 44 8.093 -5.299 5.012 1.00 1.23 O ATOM 0 H GLY A 44 7.664 -2.264 2.624 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.665 -4.561 2.218 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.654 -3.376 3.048 1.00 0.92 H new ATOM 664 N LYS A 45 10.118 -5.653 4.339 1.00 0.85 N ATOM 665 CA LYS A 45 10.298 -6.914 5.109 1.00 1.06 C ATOM 666 C LYS A 45 9.659 -6.998 6.528 1.00 0.74 C ATOM 667 O LYS A 45 9.565 -8.102 7.069 1.00 0.82 O ATOM 668 CB LYS A 45 11.797 -7.150 5.288 1.00 1.67 C ATOM 669 CG LYS A 45 12.346 -8.273 4.436 1.00 2.44 C ATOM 670 CD LYS A 45 13.841 -8.448 4.644 1.00 2.82 C ATOM 671 CE LYS A 45 14.164 -9.037 6.008 1.00 2.98 C ATOM 672 NZ LYS A 45 13.621 -10.414 6.157 1.00 3.87 N ATOM 0 H LYS A 45 10.958 -5.353 3.844 1.00 0.85 H new ATOM 0 HA LYS A 45 9.772 -7.660 4.513 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.331 -6.231 5.048 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.998 -7.371 6.336 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.832 -9.202 4.681 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.145 -8.066 3.385 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.241 -9.097 3.865 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.336 -7.483 4.540 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.245 -9.055 6.150 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.751 -8.397 6.788 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 14.090 -10.887 6.956 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.597 -10.366 6.335 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 13.796 -10.952 5.284 1.00 3.87 H new ATOM 686 N TRP A 46 9.225 -5.898 7.144 1.00 0.58 N ATOM 687 CA TRP A 46 8.664 -5.980 8.497 1.00 0.57 C ATOM 688 C TRP A 46 7.834 -4.769 8.924 1.00 0.63 C ATOM 689 O TRP A 46 7.203 -4.777 9.982 1.00 0.74 O ATOM 690 CB TRP A 46 9.801 -6.096 9.467 1.00 0.76 C ATOM 691 CG TRP A 46 10.902 -5.134 9.174 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.912 -5.305 8.282 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.090 -3.849 9.764 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.710 -4.195 8.256 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.234 -3.283 9.172 1.00 1.42 C ATOM 696 CE3 TRP A 46 10.397 -3.122 10.736 1.00 1.66 C ATOM 697 CZ2 TRP A 46 12.699 -2.016 9.525 1.00 1.78 C ATOM 698 CZ3 TRP A 46 10.857 -1.868 11.081 1.00 2.10 C ATOM 699 CH2 TRP A 46 11.995 -1.326 10.478 1.00 2.11 C ATOM 0 H TRP A 46 9.248 -4.961 6.742 1.00 0.58 H new ATOM 0 HA TRP A 46 7.996 -6.841 8.492 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.431 -5.923 10.478 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.194 -7.112 9.441 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.063 -6.189 7.681 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.525 -4.064 7.656 1.00 1.38 H new ATOM 0 HE3 TRP A 46 9.518 -3.534 11.208 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.580 -1.594 9.065 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 10.329 -1.296 11.829 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.328 -0.341 10.769 1.00 2.11 H new ATOM 710 N VAL A 47 7.831 -3.758 8.105 1.00 0.63 N ATOM 711 CA VAL A 47 7.422 -2.458 8.479 1.00 0.74 C ATOM 712 C VAL A 47 5.936 -2.265 8.300 1.00 0.59 C ATOM 713 O VAL A 47 5.302 -2.799 7.402 1.00 0.57 O ATOM 714 CB VAL A 47 8.177 -1.383 7.675 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.783 -0.378 8.619 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.263 -1.983 6.788 1.00 1.29 C ATOM 0 H VAL A 47 8.124 -3.830 7.131 1.00 0.63 H new ATOM 0 HA VAL A 47 7.662 -2.348 9.537 1.00 0.74 H new ATOM 0 HB VAL A 47 7.456 -0.893 7.020 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.317 0.382 8.048 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.993 0.095 9.203 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.478 -0.882 9.290 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.767 -1.186 6.241 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.987 -2.513 7.407 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.812 -2.679 6.081 1.00 1.29 H new ATOM 726 N ASP A 48 5.428 -1.524 9.221 1.00 0.60 N ATOM 727 CA ASP A 48 4.056 -1.082 9.269 1.00 0.56 C ATOM 728 C ASP A 48 3.974 0.386 8.903 1.00 0.58 C ATOM 729 O ASP A 48 4.345 1.231 9.709 1.00 0.96 O ATOM 730 CB ASP A 48 3.525 -1.223 10.682 1.00 0.73 C ATOM 731 CG ASP A 48 4.508 -1.845 11.650 1.00 1.88 C ATOM 732 OD1 ASP A 48 5.527 -1.197 11.969 1.00 2.22 O ATOM 733 OD2 ASP A 48 4.279 -2.994 12.080 1.00 2.73 O ATOM 0 H ASP A 48 5.979 -1.185 10.010 1.00 0.60 H new ATOM 0 HA ASP A 48 3.476 -1.686 8.572 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.240 -0.238 11.052 1.00 0.73 H new ATOM 0 HB3 ASP A 48 2.619 -1.829 10.660 1.00 0.73 H new ATOM 738 N LEU A 49 3.473 0.700 7.720 1.00 0.39 N ATOM 739 CA LEU A 49 3.454 2.073 7.250 1.00 0.35 C ATOM 740 C LEU A 49 2.776 3.007 8.217 1.00 0.41 C ATOM 741 O LEU A 49 3.312 4.065 8.493 1.00 0.44 O ATOM 742 CB LEU A 49 2.764 2.212 5.895 1.00 0.29 C ATOM 743 CG LEU A 49 3.473 1.624 4.674 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.031 0.220 4.379 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.159 2.446 3.474 1.00 0.28 C ATOM 0 H LEU A 49 3.075 0.023 7.069 1.00 0.39 H new ATOM 0 HA LEU A 49 4.504 2.350 7.157 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.781 1.746 5.969 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.600 3.273 5.709 1.00 0.29 H new ATOM 0 HG LEU A 49 4.539 1.622 4.899 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.563 -0.153 3.504 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.250 -0.418 5.235 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.959 0.210 4.183 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.664 2.027 2.604 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.082 2.445 3.304 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.500 3.469 3.634 1.00 0.28 H new ATOM 757 N SER A 50 1.655 2.599 8.781 1.00 0.48 N ATOM 758 CA SER A 50 0.843 3.496 9.575 1.00 0.58 C ATOM 759 C SER A 50 1.661 3.969 10.761 1.00 0.62 C ATOM 760 O SER A 50 1.364 4.988 11.383 1.00 0.70 O ATOM 761 CB SER A 50 -0.443 2.802 10.031 1.00 0.73 C ATOM 762 OG SER A 50 -1.427 3.750 10.407 1.00 1.23 O ATOM 0 H SER A 50 1.287 1.651 8.703 1.00 0.48 H new ATOM 0 HA SER A 50 0.549 4.357 8.974 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.826 2.174 9.226 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.226 2.144 10.873 1.00 0.73 H new ATOM 0 HG SER A 50 -2.239 3.282 10.693 1.00 1.23 H new ATOM 768 N SER A 51 2.713 3.216 11.053 1.00 0.64 N ATOM 769 CA SER A 51 3.570 3.525 12.156 1.00 0.75 C ATOM 770 C SER A 51 4.663 4.505 11.740 1.00 0.72 C ATOM 771 O SER A 51 5.177 5.274 12.555 1.00 0.85 O ATOM 772 CB SER A 51 4.195 2.245 12.698 1.00 0.90 C ATOM 773 OG SER A 51 4.638 2.399 14.036 1.00 1.34 O ATOM 0 H SER A 51 2.983 2.384 10.528 1.00 0.64 H new ATOM 0 HA SER A 51 2.972 3.994 12.937 1.00 0.75 H new ATOM 0 HB2 SER A 51 3.467 1.436 12.648 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.036 1.957 12.068 1.00 0.90 H new ATOM 0 HG SER A 51 5.031 1.558 14.349 1.00 1.34 H new ATOM 779 N LYS A 52 4.999 4.461 10.464 1.00 0.62 N ATOM 780 CA LYS A 52 6.131 5.184 9.923 1.00 0.66 C ATOM 781 C LYS A 52 5.697 6.438 9.172 1.00 0.67 C ATOM 782 O LYS A 52 6.049 7.550 9.557 1.00 1.09 O ATOM 783 CB LYS A 52 6.904 4.258 8.978 1.00 0.65 C ATOM 784 CG LYS A 52 6.731 2.772 9.258 1.00 0.70 C ATOM 785 CD LYS A 52 7.133 2.377 10.679 1.00 0.78 C ATOM 786 CE LYS A 52 8.631 2.504 10.898 1.00 1.02 C ATOM 787 NZ LYS A 52 9.044 2.114 12.273 1.00 1.40 N ATOM 0 H LYS A 52 4.488 3.917 9.769 1.00 0.62 H new ATOM 0 HA LYS A 52 6.764 5.501 10.752 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.587 4.460 7.955 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.964 4.504 9.038 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.690 2.496 9.092 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.329 2.203 8.546 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.606 3.009 11.394 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.823 1.350 10.872 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.154 1.879 10.175 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.936 3.533 10.709 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 10.074 2.219 12.369 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.568 2.726 12.965 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.779 1.123 12.447 1.00 1.40 H new ATOM 801 N VAL A 53 4.966 6.187 8.086 1.00 0.34 N ATOM 802 CA VAL A 53 4.383 7.175 7.174 1.00 0.32 C ATOM 803 C VAL A 53 4.751 8.609 7.508 1.00 0.33 C ATOM 804 O VAL A 53 4.120 9.286 8.322 1.00 0.37 O ATOM 805 CB VAL A 53 2.854 6.963 7.097 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.118 8.097 6.403 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.565 5.683 6.361 1.00 0.35 C ATOM 0 H VAL A 53 4.751 5.231 7.801 1.00 0.34 H new ATOM 0 HA VAL A 53 4.817 7.009 6.188 1.00 0.32 H new ATOM 0 HB VAL A 53 2.495 6.926 8.125 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.050 7.881 6.385 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.291 9.028 6.944 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.485 8.197 5.381 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.487 5.531 6.305 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.976 5.742 5.353 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.022 4.847 6.891 1.00 0.35 H new ATOM 817 N GLY A 54 5.824 9.023 6.867 1.00 0.35 N ATOM 818 CA GLY A 54 6.336 10.370 7.016 1.00 0.41 C ATOM 819 C GLY A 54 7.196 10.804 5.834 1.00 0.44 C ATOM 820 O GLY A 54 6.814 10.622 4.683 1.00 0.70 O ATOM 0 H GLY A 54 6.365 8.438 6.230 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.501 11.062 7.127 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.925 10.432 7.931 1.00 0.41 H new ATOM 824 N GLN A 55 8.383 11.328 6.126 1.00 0.36 N ATOM 825 CA GLN A 55 9.247 11.956 5.114 1.00 0.43 C ATOM 826 C GLN A 55 9.739 10.980 4.037 1.00 0.39 C ATOM 827 O GLN A 55 9.839 11.340 2.871 1.00 0.50 O ATOM 828 CB GLN A 55 10.456 12.584 5.801 1.00 0.61 C ATOM 829 CG GLN A 55 10.119 13.802 6.645 1.00 1.43 C ATOM 830 CD GLN A 55 11.277 14.225 7.526 1.00 2.08 C ATOM 831 OE1 GLN A 55 11.373 13.810 8.681 1.00 2.75 O ATOM 832 NE2 GLN A 55 12.169 15.036 6.986 1.00 2.69 N ATOM 0 H GLN A 55 8.778 11.333 7.066 1.00 0.36 H new ATOM 0 HA GLN A 55 8.640 12.708 4.610 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.932 11.835 6.434 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.185 12.870 5.043 1.00 0.61 H new ATOM 0 HG2 GLN A 55 9.840 14.629 5.992 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.252 13.582 7.268 1.00 1.43 H new ATOM 0 HE21 GLN A 55 12.051 15.356 6.025 1.00 2.69 H new ATOM 0 HE22 GLN A 55 12.976 15.342 7.530 1.00 2.69 H new ATOM 841 N HIS A 56 10.051 9.758 4.436 1.00 0.36 N ATOM 842 CA HIS A 56 10.639 8.770 3.518 1.00 0.41 C ATOM 843 C HIS A 56 9.566 7.925 2.837 1.00 0.35 C ATOM 844 O HIS A 56 9.731 7.451 1.720 1.00 0.42 O ATOM 845 CB HIS A 56 11.594 7.860 4.295 1.00 0.54 C ATOM 846 CG HIS A 56 10.939 7.153 5.437 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.292 5.956 5.282 1.00 0.87 N ATOM 848 CD2 HIS A 56 10.761 7.510 6.733 1.00 1.06 C ATOM 849 CE1 HIS A 56 9.731 5.605 6.420 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.003 6.527 7.322 1.00 1.33 N ATOM 0 H HIS A 56 9.911 9.417 5.387 1.00 0.36 H new ATOM 0 HA HIS A 56 11.181 9.310 2.742 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.016 7.121 3.613 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.425 8.456 4.674 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.143 8.399 7.212 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.146 4.712 6.587 1.00 1.11 H new ATOM 0 HE2 HIS A 56 9.701 6.513 8.296 1.00 1.33 H new ATOM 859 N LEU A 57 8.493 7.720 3.560 1.00 0.28 N ATOM 860 CA LEU A 57 7.333 6.986 3.099 1.00 0.25 C ATOM 861 C LEU A 57 6.126 7.807 3.453 1.00 0.23 C ATOM 862 O LEU A 57 5.733 7.857 4.605 1.00 0.29 O ATOM 863 CB LEU A 57 7.324 5.611 3.831 1.00 0.38 C ATOM 864 CG LEU A 57 6.079 4.676 3.831 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.673 4.372 5.260 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.893 5.212 3.043 1.00 1.10 C ATOM 0 H LEU A 57 8.396 8.068 4.514 1.00 0.28 H new ATOM 0 HA LEU A 57 7.342 6.807 2.024 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.150 5.032 3.419 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.565 5.811 4.875 1.00 0.38 H new ATOM 0 HG LEU A 57 6.379 3.763 3.316 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.801 3.717 5.259 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.497 3.878 5.775 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.428 5.301 5.774 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.070 4.500 3.095 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.576 6.165 3.466 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.183 5.356 2.002 1.00 1.10 H new ATOM 878 N GLN A 58 5.538 8.434 2.466 1.00 0.20 N ATOM 879 CA GLN A 58 4.261 9.004 2.624 1.00 0.21 C ATOM 880 C GLN A 58 3.285 8.009 2.080 1.00 0.18 C ATOM 881 O GLN A 58 3.268 7.708 0.892 1.00 0.19 O ATOM 882 CB GLN A 58 4.128 10.309 1.843 1.00 0.27 C ATOM 883 CG GLN A 58 5.243 11.311 2.080 1.00 0.46 C ATOM 884 CD GLN A 58 6.458 11.078 1.208 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.520 11.556 0.080 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.446 10.383 1.735 1.00 0.28 N ATOM 0 H GLN A 58 5.946 8.554 1.539 1.00 0.20 H new ATOM 0 HA GLN A 58 4.082 9.233 3.675 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.088 10.076 0.779 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.178 10.776 2.103 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.862 12.316 1.898 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.543 11.268 3.127 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.356 10.002 2.677 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.301 10.226 1.201 1.00 0.28 H new ATOM 895 N LEU A 59 2.494 7.516 2.956 1.00 0.20 N ATOM 896 CA LEU A 59 1.370 6.704 2.600 1.00 0.20 C ATOM 897 C LEU A 59 0.184 7.630 2.736 1.00 0.21 C ATOM 898 O LEU A 59 -0.354 7.822 3.825 1.00 0.23 O ATOM 899 CB LEU A 59 1.288 5.484 3.553 1.00 0.23 C ATOM 900 CG LEU A 59 0.269 4.365 3.279 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.015 3.661 4.595 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.022 4.877 2.662 1.00 0.23 C ATOM 0 H LEU A 59 2.602 7.661 3.960 1.00 0.20 H new ATOM 0 HA LEU A 59 1.426 6.289 1.594 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.276 5.024 3.578 1.00 0.23 H new ATOM 0 HB3 LEU A 59 1.089 5.867 4.554 1.00 0.23 H new ATOM 0 HG LEU A 59 0.677 3.675 2.541 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.705 2.857 4.444 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.950 3.245 4.972 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.382 4.373 5.318 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.701 4.041 2.492 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.490 5.593 3.338 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.803 5.365 1.712 1.00 0.23 H new ATOM 914 N HIS A 60 -0.159 8.256 1.637 1.00 0.22 N ATOM 915 CA HIS A 60 -1.249 9.151 1.593 1.00 0.25 C ATOM 916 C HIS A 60 -2.445 8.444 1.071 1.00 0.24 C ATOM 917 O HIS A 60 -2.361 7.397 0.448 1.00 0.26 O ATOM 918 CB HIS A 60 -0.973 10.373 0.731 1.00 0.37 C ATOM 919 CG HIS A 60 0.013 11.333 1.305 1.00 0.79 C ATOM 920 ND1 HIS A 60 -0.207 12.051 2.461 1.00 1.48 N ATOM 921 CD2 HIS A 60 1.227 11.707 0.860 1.00 1.65 C ATOM 922 CE1 HIS A 60 0.830 12.829 2.696 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.720 12.639 1.739 1.00 2.03 N ATOM 0 H HIS A 60 0.327 8.145 0.747 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.419 9.503 2.610 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.611 10.040 -0.242 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.912 10.898 0.559 1.00 0.37 H new ATOM 0 HD2 HIS A 60 1.723 11.341 -0.027 1.00 1.65 H new ATOM 0 HE1 HIS A 60 0.935 13.507 3.530 1.00 1.91 H new ATOM 0 HE2 HIS A 60 2.623 13.107 1.665 1.00 2.03 H new ATOM 932 N ASP A 61 -3.533 9.036 1.362 1.00 0.29 N ATOM 933 CA ASP A 61 -4.811 8.569 0.963 1.00 0.32 C ATOM 934 C ASP A 61 -5.595 9.699 0.373 1.00 0.35 C ATOM 935 O ASP A 61 -5.950 10.681 1.023 1.00 0.48 O ATOM 936 CB ASP A 61 -5.594 7.950 2.097 1.00 0.44 C ATOM 937 CG ASP A 61 -5.785 8.861 3.299 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.799 9.116 4.025 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.920 9.343 3.514 1.00 0.92 O ATOM 0 H ASP A 61 -3.567 9.897 1.908 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.647 7.786 0.223 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.573 7.650 1.725 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.084 7.043 2.421 1.00 0.44 H new ATOM 944 N SER A 62 -5.796 9.552 -0.879 1.00 0.29 N ATOM 945 CA SER A 62 -6.630 10.438 -1.639 1.00 0.32 C ATOM 946 C SER A 62 -7.894 9.703 -1.940 1.00 0.32 C ATOM 947 O SER A 62 -7.895 8.489 -1.968 1.00 0.41 O ATOM 948 CB SER A 62 -5.956 10.887 -2.930 1.00 0.40 C ATOM 949 OG SER A 62 -4.558 11.073 -2.747 1.00 0.47 O ATOM 0 H SER A 62 -5.382 8.800 -1.430 1.00 0.29 H new ATOM 0 HA SER A 62 -6.826 11.342 -1.063 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.127 10.144 -3.709 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.407 11.818 -3.273 1.00 0.40 H new ATOM 0 HG SER A 62 -4.153 11.359 -3.592 1.00 0.47 H new ATOM 955 N TYR A 63 -8.976 10.404 -2.086 1.00 0.38 N ATOM 956 CA TYR A 63 -10.189 9.758 -2.402 1.00 0.45 C ATOM 957 C TYR A 63 -11.032 10.602 -3.326 1.00 0.47 C ATOM 958 O TYR A 63 -11.435 11.721 -3.003 1.00 0.54 O ATOM 959 CB TYR A 63 -10.939 9.361 -1.134 1.00 0.64 C ATOM 960 CG TYR A 63 -11.713 10.454 -0.437 1.00 0.63 C ATOM 961 CD1 TYR A 63 -11.080 11.277 0.480 1.00 0.87 C ATOM 962 CD2 TYR A 63 -13.053 10.676 -0.707 1.00 0.84 C ATOM 963 CE1 TYR A 63 -11.759 12.293 1.111 1.00 1.06 C ATOM 964 CE2 TYR A 63 -13.746 11.691 -0.076 1.00 1.05 C ATOM 965 CZ TYR A 63 -13.177 12.424 0.856 1.00 1.07 C ATOM 966 OH TYR A 63 -13.770 13.514 1.463 1.00 1.39 O ATOM 0 H TYR A 63 -9.033 11.418 -1.990 1.00 0.38 H new ATOM 0 HA TYR A 63 -9.958 8.838 -2.940 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -11.633 8.559 -1.386 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.219 8.949 -0.427 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -10.035 11.118 0.703 1.00 0.87 H new ATOM 0 HD2 TYR A 63 -13.564 10.047 -1.421 1.00 0.84 H new ATOM 0 HE1 TYR A 63 -11.249 12.973 1.777 1.00 1.06 H new ATOM 0 HE2 TYR A 63 -14.772 11.886 -0.353 1.00 1.05 H new ATOM 0 HH TYR A 63 -14.725 13.532 1.242 1.00 1.39 H new ATOM 976 N ASP A 64 -11.229 10.074 -4.508 1.00 0.47 N ATOM 977 CA ASP A 64 -12.172 10.605 -5.423 1.00 0.57 C ATOM 978 C ASP A 64 -13.454 9.846 -5.258 1.00 0.57 C ATOM 979 O ASP A 64 -13.638 8.750 -5.778 1.00 0.63 O ATOM 980 CB ASP A 64 -11.659 10.538 -6.844 1.00 0.71 C ATOM 981 CG ASP A 64 -10.647 9.430 -7.106 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.558 9.459 -6.496 1.00 2.42 O ATOM 983 OD2 ASP A 64 -10.941 8.516 -7.905 1.00 2.00 O ATOM 0 H ASP A 64 -10.728 9.255 -4.853 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.342 11.661 -5.213 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -12.507 10.403 -7.516 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.202 11.495 -7.096 1.00 0.71 H new ATOM 988 N ARG A 65 -14.313 10.433 -4.473 1.00 0.60 N ATOM 989 CA ARG A 65 -15.518 9.785 -4.008 1.00 0.64 C ATOM 990 C ARG A 65 -16.540 9.632 -5.124 1.00 0.74 C ATOM 991 O ARG A 65 -17.337 8.692 -5.127 1.00 0.88 O ATOM 992 CB ARG A 65 -16.084 10.583 -2.845 1.00 0.74 C ATOM 993 CG ARG A 65 -16.526 9.703 -1.712 1.00 0.86 C ATOM 994 CD ARG A 65 -17.803 8.968 -2.067 1.00 1.00 C ATOM 995 NE ARG A 65 -18.980 9.811 -1.875 1.00 1.19 N ATOM 996 CZ ARG A 65 -19.971 9.925 -2.758 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.888 9.320 -3.938 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.025 10.675 -2.476 1.00 2.07 N ATOM 0 H ARG A 65 -14.199 11.387 -4.131 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.275 8.777 -3.673 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -15.329 11.282 -2.486 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -16.930 11.177 -3.192 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -15.741 8.984 -1.476 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -16.685 10.306 -0.818 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.757 8.638 -3.105 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.891 8.073 -1.451 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.048 10.347 -1.010 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.064 8.766 -4.170 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.649 9.409 -4.612 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.078 11.165 -1.583 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -21.784 10.763 -3.152 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.510 10.562 -6.048 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.297 10.478 -7.270 1.00 0.93 C ATOM 1014 C ALA A 66 -16.865 9.274 -8.092 1.00 0.83 C ATOM 1015 O ALA A 66 -17.667 8.642 -8.776 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.154 11.757 -8.080 1.00 1.15 C ATOM 0 H ALA A 66 -15.939 11.404 -5.980 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.347 10.356 -7.003 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.748 11.679 -8.991 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.505 12.603 -7.489 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.107 11.907 -8.342 1.00 1.15 H new ATOM 1022 N SER A 67 -15.588 8.954 -7.997 1.00 0.72 N ATOM 1023 CA SER A 67 -15.046 7.783 -8.656 1.00 0.72 C ATOM 1024 C SER A 67 -15.153 6.595 -7.721 1.00 0.58 C ATOM 1025 O SER A 67 -14.969 5.444 -8.121 1.00 0.63 O ATOM 1026 CB SER A 67 -13.593 8.023 -9.050 1.00 0.83 C ATOM 1027 OG SER A 67 -13.425 9.311 -9.621 1.00 1.41 O ATOM 0 H SER A 67 -14.904 9.493 -7.466 1.00 0.72 H new ATOM 0 HA SER A 67 -15.614 7.580 -9.564 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.954 7.925 -8.172 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.276 7.262 -9.762 1.00 0.83 H new ATOM 0 HG SER A 67 -12.484 9.441 -9.864 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.460 6.908 -6.461 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.652 5.914 -5.428 1.00 0.50 C ATOM 1035 C LYS A 68 -14.336 5.199 -5.151 1.00 0.44 C ATOM 1036 O LYS A 68 -14.310 4.000 -4.871 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.709 4.921 -5.881 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.408 4.194 -4.755 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.043 2.903 -5.233 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.043 1.754 -5.211 1.00 2.27 C ATOM 1041 NZ LYS A 68 -16.024 1.886 -6.289 1.00 3.31 N ATOM 0 H LYS A 68 -15.581 7.867 -6.136 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.985 6.396 -4.509 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.455 5.449 -6.474 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.242 4.186 -6.537 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.692 3.976 -3.962 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -18.174 4.839 -4.325 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.896 2.658 -4.600 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.425 3.036 -6.245 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.545 1.724 -4.242 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.573 0.809 -5.326 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -15.584 0.960 -6.466 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -16.481 2.225 -7.160 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -15.294 2.565 -5.995 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.242 5.940 -5.240 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.935 5.385 -5.001 1.00 0.31 C ATOM 1057 C VAL A 69 -11.196 6.180 -3.952 1.00 0.29 C ATOM 1058 O VAL A 69 -11.237 7.404 -3.931 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.046 5.393 -6.255 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.911 4.407 -6.097 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.842 5.104 -7.513 1.00 0.43 C ATOM 0 H VAL A 69 -13.243 6.932 -5.478 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.114 4.359 -4.680 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.630 6.395 -6.362 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.289 4.422 -6.992 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.308 4.682 -5.231 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.316 3.405 -5.954 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.177 5.119 -8.376 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.308 4.122 -7.431 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.614 5.863 -7.637 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.562 5.456 -3.075 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.472 5.963 -2.294 1.00 0.25 C ATOM 1073 C TYR A 70 -8.209 5.494 -2.952 1.00 0.22 C ATOM 1074 O TYR A 70 -7.993 4.302 -3.155 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.458 5.459 -0.856 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.602 5.920 0.007 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.889 5.472 -0.242 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -10.400 6.799 1.053 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -12.948 5.886 0.536 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -11.452 7.221 1.841 1.00 1.24 C ATOM 1081 CZ TYR A 70 -12.690 6.784 1.615 1.00 0.76 C ATOM 1082 OH TYR A 70 -13.788 7.174 2.353 1.00 0.93 O ATOM 0 H TYR A 70 -10.792 4.482 -2.880 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.571 7.048 -2.251 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.455 4.369 -0.872 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.525 5.773 -0.389 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.065 4.788 -1.059 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -9.404 7.162 1.258 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.951 5.539 0.334 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -11.269 7.913 2.650 1.00 1.24 H new ATOM 0 HH TYR A 70 -13.504 7.785 3.065 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.399 6.427 -3.285 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.106 6.141 -3.826 1.00 0.19 C ATOM 1094 C LEU A 71 -5.080 6.426 -2.762 1.00 0.20 C ATOM 1095 O LEU A 71 -4.765 7.573 -2.447 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.816 6.951 -5.097 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.369 6.854 -5.607 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.923 5.402 -5.731 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.225 7.565 -6.942 1.00 0.52 C ATOM 0 H LEU A 71 -7.607 7.421 -3.193 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.068 5.092 -4.120 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.488 6.615 -5.887 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.049 7.998 -4.905 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.725 7.344 -4.877 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.896 5.367 -6.094 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.980 4.919 -4.755 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.574 4.880 -6.433 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.194 7.486 -7.287 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.889 7.104 -7.673 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.488 8.616 -6.825 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.590 5.362 -2.210 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.518 5.417 -1.275 1.00 0.21 C ATOM 1113 C PHE A 72 -2.230 5.419 -2.056 1.00 0.23 C ATOM 1114 O PHE A 72 -1.899 4.469 -2.770 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.561 4.236 -0.322 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.774 4.178 0.565 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.969 3.661 0.094 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.711 4.619 1.877 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.079 3.587 0.914 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.817 4.551 2.700 1.00 0.33 C ATOM 1121 CZ PHE A 72 -7.004 4.034 2.219 1.00 0.30 C ATOM 0 H PHE A 72 -4.929 4.419 -2.400 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.600 6.319 -0.669 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.512 3.316 -0.905 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.671 4.263 0.307 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.034 3.312 -0.926 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.785 5.021 2.261 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.005 3.180 0.535 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.754 4.902 3.719 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.871 3.979 2.861 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.540 6.505 -1.928 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.327 6.737 -2.677 1.00 0.26 C ATOM 1133 C GLU A 73 0.854 6.614 -1.766 1.00 0.20 C ATOM 1134 O GLU A 73 0.990 7.341 -0.779 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.264 8.117 -3.307 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.590 8.657 -3.806 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.481 10.105 -4.232 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -1.266 10.971 -3.355 1.00 1.32 O ATOM 1139 OE2 GLU A 73 -1.602 10.383 -5.441 1.00 1.09 O ATOM 0 H GLU A 73 -1.795 7.267 -1.300 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.317 5.993 -3.473 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.143 8.815 -2.575 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.436 8.087 -4.142 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.934 8.055 -4.647 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.339 8.565 -3.020 1.00 0.59 H new ATOM 1146 N LEU A 74 1.707 5.718 -2.128 1.00 0.21 N ATOM 1147 CA LEU A 74 2.930 5.501 -1.427 1.00 0.21 C ATOM 1148 C LEU A 74 3.991 6.280 -2.092 1.00 0.20 C ATOM 1149 O LEU A 74 4.332 6.040 -3.251 1.00 0.25 O ATOM 1150 CB LEU A 74 3.372 4.056 -1.464 1.00 0.27 C ATOM 1151 CG LEU A 74 2.459 3.068 -0.765 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.307 3.480 0.669 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.107 2.996 -1.442 1.00 0.96 C ATOM 0 H LEU A 74 1.574 5.105 -2.932 1.00 0.21 H new ATOM 0 HA LEU A 74 2.765 5.796 -0.391 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.473 3.753 -2.506 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.363 3.987 -1.014 1.00 0.27 H new ATOM 0 HG LEU A 74 2.903 2.074 -0.819 1.00 0.27 H new ATOM 0 HD11 LEU A 74 1.652 2.776 1.182 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.284 3.484 1.152 1.00 0.85 H new ATOM 0 HD13 LEU A 74 1.874 4.479 0.717 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.475 2.279 -0.918 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.636 3.979 -1.420 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.235 2.678 -2.477 1.00 0.96 H new ATOM 1165 N HIS A 75 4.513 7.188 -1.375 1.00 0.18 N ATOM 1166 CA HIS A 75 5.707 7.817 -1.815 1.00 0.19 C ATOM 1167 C HIS A 75 6.758 7.334 -0.880 1.00 0.19 C ATOM 1168 O HIS A 75 6.932 7.868 0.212 1.00 0.19 O ATOM 1169 CB HIS A 75 5.597 9.342 -1.782 1.00 0.23 C ATOM 1170 CG HIS A 75 4.644 9.907 -2.782 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.276 9.836 -2.647 1.00 1.01 N ATOM 1172 CD2 HIS A 75 4.873 10.559 -3.941 1.00 1.15 C ATOM 1173 CE1 HIS A 75 2.707 10.422 -3.684 1.00 0.88 C ATOM 1174 NE2 HIS A 75 3.654 10.871 -4.482 1.00 0.94 N ATOM 0 H HIS A 75 4.143 7.519 -0.484 1.00 0.18 H new ATOM 0 HA HIS A 75 5.930 7.569 -2.853 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.285 9.651 -0.784 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.584 9.770 -1.955 1.00 0.23 H new ATOM 0 HD2 HIS A 75 5.839 10.792 -4.364 1.00 1.15 H new ATOM 0 HE1 HIS A 75 1.644 10.517 -3.850 1.00 0.88 H new ATOM 0 HE2 HIS A 75 3.504 11.369 -5.359 1.00 0.94 H new ATOM 1183 N ILE A 76 7.436 6.300 -1.298 1.00 0.21 N ATOM 1184 CA ILE A 76 8.433 5.703 -0.464 1.00 0.23 C ATOM 1185 C ILE A 76 9.750 5.733 -1.168 1.00 0.25 C ATOM 1186 O ILE A 76 10.060 4.925 -2.016 1.00 0.28 O ATOM 1187 CB ILE A 76 8.043 4.273 -0.137 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.656 4.272 0.499 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.074 3.618 0.770 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.105 2.902 0.783 1.00 0.52 C ATOM 0 H ILE A 76 7.314 5.857 -2.209 1.00 0.21 H new ATOM 0 HA ILE A 76 8.513 6.263 0.468 1.00 0.23 H new ATOM 0 HB ILE A 76 8.014 3.685 -1.054 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.697 4.835 1.432 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.966 4.798 -0.161 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.769 2.594 0.988 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.044 3.610 0.272 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.149 4.180 1.701 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.117 2.994 1.234 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.028 2.340 -0.148 1.00 0.52 H new ATOM 0 HD13 ILE A 76 6.770 2.378 1.469 1.00 0.52 H new ATOM 1202 N THR A 77 10.518 6.669 -0.799 1.00 0.24 N ATOM 1203 CA THR A 77 11.728 6.921 -1.443 1.00 0.26 C ATOM 1204 C THR A 77 12.865 6.427 -0.628 1.00 0.36 C ATOM 1205 O THR A 77 12.733 6.054 0.545 1.00 0.58 O ATOM 1206 CB THR A 77 11.906 8.413 -1.718 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.967 9.143 -0.488 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.747 8.905 -2.544 1.00 0.37 C ATOM 0 H THR A 77 10.317 7.297 -0.021 1.00 0.24 H new ATOM 0 HA THR A 77 11.711 6.391 -2.395 1.00 0.26 H new ATOM 0 HB THR A 77 12.839 8.568 -2.260 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.900 9.366 -0.286 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.868 9.970 -2.744 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.715 8.360 -3.488 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.817 8.742 -2.000 1.00 0.37 H new ATOM 1216 N ASP A 78 13.950 6.444 -1.314 1.00 0.30 N ATOM 1217 CA ASP A 78 15.249 6.056 -0.827 1.00 0.45 C ATOM 1218 C ASP A 78 15.164 4.853 0.064 1.00 0.45 C ATOM 1219 O ASP A 78 15.351 4.909 1.282 1.00 0.70 O ATOM 1220 CB ASP A 78 15.905 7.158 -0.084 1.00 0.61 C ATOM 1221 CG ASP A 78 16.069 8.435 -0.881 1.00 1.44 C ATOM 1222 OD1 ASP A 78 15.115 9.248 -0.917 1.00 2.12 O ATOM 1223 OD2 ASP A 78 17.157 8.648 -1.450 1.00 1.97 O ATOM 0 H ASP A 78 13.969 6.745 -2.288 1.00 0.30 H new ATOM 0 HA ASP A 78 15.847 5.812 -1.705 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.322 7.374 0.811 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.887 6.822 0.249 1.00 0.61 H new ATOM 1228 N ALA A 79 14.825 3.793 -0.575 1.00 0.37 N ATOM 1229 CA ALA A 79 14.694 2.507 0.054 1.00 0.34 C ATOM 1230 C ALA A 79 16.003 2.097 0.707 1.00 0.38 C ATOM 1231 O ALA A 79 17.031 1.970 0.044 1.00 0.40 O ATOM 1232 CB ALA A 79 14.250 1.473 -0.966 1.00 0.34 C ATOM 0 H ALA A 79 14.624 3.784 -1.575 1.00 0.37 H new ATOM 0 HA ALA A 79 13.936 2.571 0.834 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.153 0.502 -0.481 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.288 1.766 -1.386 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.990 1.408 -1.764 1.00 0.34 H new ATOM 1238 N GLN A 80 15.962 1.966 2.020 1.00 0.47 N ATOM 1239 CA GLN A 80 17.066 1.418 2.786 1.00 0.55 C ATOM 1240 C GLN A 80 17.440 0.041 2.241 1.00 0.43 C ATOM 1241 O GLN A 80 16.553 -0.738 1.923 1.00 0.43 O ATOM 1242 CB GLN A 80 16.629 1.305 4.246 1.00 0.74 C ATOM 1243 CG GLN A 80 17.577 0.511 5.112 1.00 0.78 C ATOM 1244 CD GLN A 80 18.444 1.398 5.993 1.00 1.06 C ATOM 1245 OE1 GLN A 80 18.075 1.715 7.122 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.594 1.811 5.481 1.00 1.43 N ATOM 0 H GLN A 80 15.159 2.238 2.587 1.00 0.47 H new ATOM 0 HA GLN A 80 17.938 2.068 2.709 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.526 2.307 4.662 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.643 0.841 4.284 1.00 0.74 H new ATOM 0 HG2 GLN A 80 17.005 -0.171 5.741 1.00 0.78 H new ATOM 0 HG3 GLN A 80 18.217 -0.102 4.477 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.865 1.526 4.540 1.00 1.43 H new ATOM 0 HE22 GLN A 80 20.208 2.414 6.028 1.00 1.43 H new ATOM 1255 N PRO A 81 18.745 -0.288 2.142 1.00 0.42 N ATOM 1256 CA PRO A 81 19.199 -1.554 1.548 1.00 0.44 C ATOM 1257 C PRO A 81 18.687 -2.780 2.301 1.00 0.54 C ATOM 1258 O PRO A 81 18.777 -3.905 1.811 1.00 1.33 O ATOM 1259 CB PRO A 81 20.727 -1.488 1.645 1.00 0.50 C ATOM 1260 CG PRO A 81 21.054 -0.054 1.888 1.00 0.57 C ATOM 1261 CD PRO A 81 19.871 0.541 2.593 1.00 0.49 C ATOM 0 HA PRO A 81 18.825 -1.661 0.530 1.00 0.44 H new ATOM 0 HB2 PRO A 81 21.095 -2.116 2.456 1.00 0.50 H new ATOM 0 HB3 PRO A 81 21.193 -1.846 0.727 1.00 0.50 H new ATOM 0 HG2 PRO A 81 21.955 0.041 2.495 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.246 0.464 0.949 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.989 0.502 3.676 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.730 1.588 2.325 1.00 0.49 H new ATOM 1269 N ALA A 82 18.147 -2.553 3.489 1.00 0.81 N ATOM 1270 CA ALA A 82 17.601 -3.627 4.299 1.00 0.88 C ATOM 1271 C ALA A 82 16.074 -3.634 4.233 1.00 0.77 C ATOM 1272 O ALA A 82 15.413 -4.296 5.033 1.00 0.91 O ATOM 1273 CB ALA A 82 18.081 -3.482 5.735 1.00 1.12 C ATOM 0 H ALA A 82 18.076 -1.628 3.914 1.00 0.81 H new ATOM 0 HA ALA A 82 17.954 -4.580 3.905 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.669 -4.290 6.340 1.00 1.12 H new ATOM 0 HB2 ALA A 82 19.170 -3.528 5.761 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.749 -2.524 6.135 1.00 1.12 H new ATOM 1279 N PHE A 83 15.513 -2.906 3.266 1.00 0.64 N ATOM 1280 CA PHE A 83 14.075 -2.823 3.125 1.00 0.68 C ATOM 1281 C PHE A 83 13.547 -3.924 2.216 1.00 0.76 C ATOM 1282 O PHE A 83 12.337 -4.142 2.192 1.00 1.24 O ATOM 1283 CB PHE A 83 13.670 -1.468 2.547 1.00 0.74 C ATOM 1284 CG PHE A 83 13.164 -0.434 3.528 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.705 -0.772 4.801 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.141 0.901 3.152 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.243 0.202 5.665 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.677 1.875 4.014 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.228 1.526 5.272 1.00 0.88 C ATOM 0 H PHE A 83 16.038 -2.370 2.575 1.00 0.64 H new ATOM 0 HA PHE A 83 13.643 -2.943 4.119 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.531 -1.050 2.026 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.895 -1.635 1.799 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.711 -1.806 5.114 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.491 1.183 2.170 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.893 -0.072 6.649 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.665 2.910 3.704 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.866 2.287 5.948 1.00 0.88 H new ATOM 1299 N THR A 84 14.465 -4.565 1.457 1.00 0.55 N ATOM 1300 CA THR A 84 14.161 -5.644 0.524 1.00 0.58 C ATOM 1301 C THR A 84 13.155 -6.589 1.099 1.00 0.80 C ATOM 1302 O THR A 84 13.475 -7.594 1.735 1.00 1.22 O ATOM 1303 CB THR A 84 15.397 -6.457 0.120 1.00 0.97 C ATOM 1304 OG1 THR A 84 16.393 -5.610 -0.449 1.00 1.10 O ATOM 1305 CG2 THR A 84 15.014 -7.539 -0.880 1.00 1.17 C ATOM 0 H THR A 84 15.457 -4.332 1.486 1.00 0.55 H new ATOM 0 HA THR A 84 13.763 -5.152 -0.363 1.00 0.58 H new ATOM 0 HB THR A 84 15.803 -6.925 1.017 1.00 0.97 H new ATOM 0 HG1 THR A 84 17.174 -6.146 -0.699 1.00 1.10 H new ATOM 0 HG21 THR A 84 15.901 -8.108 -1.158 1.00 1.17 H new ATOM 0 HG22 THR A 84 14.280 -8.208 -0.430 1.00 1.17 H new ATOM 0 HG23 THR A 84 14.586 -7.077 -1.770 1.00 1.17 H new ATOM 1313 N GLY A 85 11.946 -6.239 0.865 1.00 0.87 N ATOM 1314 CA GLY A 85 10.859 -6.956 1.470 1.00 1.43 C ATOM 1315 C GLY A 85 9.584 -6.803 0.727 1.00 0.96 C ATOM 1316 O GLY A 85 9.580 -6.785 -0.499 1.00 1.29 O ATOM 0 H GLY A 85 11.672 -5.464 0.262 1.00 0.87 H new ATOM 0 HA2 GLY A 85 11.115 -8.014 1.528 1.00 1.43 H new ATOM 0 HA3 GLY A 85 10.723 -6.604 2.493 1.00 1.43 H new ATOM 1320 N GLY A 86 8.506 -6.621 1.455 1.00 0.52 N ATOM 1321 CA GLY A 86 7.227 -6.741 0.837 1.00 0.52 C ATOM 1322 C GLY A 86 6.155 -5.974 1.538 1.00 0.40 C ATOM 1323 O GLY A 86 5.851 -6.191 2.702 1.00 0.43 O ATOM 0 H GLY A 86 8.497 -6.395 2.450 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.296 -6.395 -0.194 1.00 0.52 H new ATOM 0 HA3 GLY A 86 6.946 -7.794 0.802 1.00 0.52 H new ATOM 1327 N TYR A 87 5.611 -5.065 0.789 1.00 0.34 N ATOM 1328 CA TYR A 87 4.524 -4.226 1.208 1.00 0.28 C ATOM 1329 C TYR A 87 3.218 -4.996 1.020 1.00 0.30 C ATOM 1330 O TYR A 87 2.846 -5.344 -0.100 1.00 0.39 O ATOM 1331 CB TYR A 87 4.544 -2.950 0.364 1.00 0.35 C ATOM 1332 CG TYR A 87 5.823 -2.134 0.500 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.080 -2.658 0.170 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.770 -0.824 0.946 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.226 -1.899 0.287 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.918 -0.066 1.065 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.139 -0.605 0.733 1.00 0.54 C ATOM 1338 OH TYR A 87 9.279 0.159 0.854 1.00 0.63 O ATOM 0 H TYR A 87 5.920 -4.878 -0.165 1.00 0.34 H new ATOM 0 HA TYR A 87 4.616 -3.949 2.258 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.406 -3.218 -0.684 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.696 -2.326 0.647 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.153 -3.676 -0.183 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.816 -0.389 1.205 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.186 -2.321 0.029 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.857 0.952 1.420 1.00 0.54 H new ATOM 0 HH TYR A 87 9.653 0.048 1.753 1.00 0.63 H new ATOM 1348 N ARG A 88 2.550 -5.298 2.118 1.00 0.33 N ATOM 1349 CA ARG A 88 1.342 -6.100 2.085 1.00 0.36 C ATOM 1350 C ARG A 88 0.121 -5.216 2.270 1.00 0.36 C ATOM 1351 O ARG A 88 -0.159 -4.757 3.376 1.00 0.60 O ATOM 1352 CB ARG A 88 1.381 -7.149 3.197 1.00 0.42 C ATOM 1353 CG ARG A 88 2.385 -8.267 2.963 1.00 1.09 C ATOM 1354 CD ARG A 88 1.828 -9.308 2.006 1.00 1.23 C ATOM 1355 NE ARG A 88 0.544 -9.822 2.474 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.024 -10.987 2.116 1.00 2.17 C ATOM 1357 NH1 ARG A 88 0.699 -11.794 1.302 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -1.168 -11.341 2.591 1.00 3.15 N ATOM 0 H ARG A 88 2.828 -4.996 3.052 1.00 0.33 H new ATOM 0 HA ARG A 88 1.282 -6.598 1.117 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.617 -6.655 4.139 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.388 -7.584 3.306 1.00 0.42 H new ATOM 0 HG2 ARG A 88 3.308 -7.853 2.558 1.00 1.09 H new ATOM 0 HG3 ARG A 88 2.637 -8.739 3.913 1.00 1.09 H new ATOM 0 HD2 ARG A 88 1.708 -8.868 1.016 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.537 -10.130 1.906 1.00 1.23 H new ATOM 0 HE ARG A 88 0.010 -9.244 3.122 1.00 1.73 H new ATOM 0 HH11 ARG A 88 1.616 -11.516 0.954 1.00 2.11 H new ATOM 0 HH12 ARG A 88 0.299 -12.691 1.026 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -1.671 -10.718 3.223 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -1.579 -12.235 2.323 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.599 -4.959 1.200 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.797 -4.158 1.304 1.00 0.27 C ATOM 1374 C CYS A 89 -2.987 -5.067 1.451 1.00 0.25 C ATOM 1375 O CYS A 89 -3.220 -5.952 0.627 1.00 0.31 O ATOM 1376 CB CYS A 89 -1.973 -3.267 0.094 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.949 -1.788 0.416 1.00 1.08 S ATOM 0 H CYS A 89 -0.379 -5.288 0.260 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.709 -3.514 2.179 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -0.990 -2.970 -0.273 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.450 -3.840 -0.701 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.170 -0.748 0.426 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.721 -4.855 2.515 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.836 -5.704 2.846 1.00 0.28 C ATOM 1385 C GLU A 90 -6.027 -4.863 3.287 1.00 0.26 C ATOM 1386 O GLU A 90 -6.018 -4.266 4.367 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.420 -6.674 3.953 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.166 -7.477 3.618 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.735 -8.418 4.728 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -2.868 -8.037 5.916 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -2.284 -9.547 4.426 1.00 1.43 O ATOM 0 H GLU A 90 -3.563 -4.092 3.173 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.133 -6.274 1.966 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.248 -6.113 4.871 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.242 -7.363 4.149 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.346 -8.055 2.712 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.350 -6.788 3.400 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.040 -4.786 2.438 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.257 -4.074 2.788 1.00 0.22 C ATOM 1400 C VAL A 91 -9.328 -5.047 3.232 1.00 0.22 C ATOM 1401 O VAL A 91 -9.477 -6.146 2.676 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.798 -3.194 1.640 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.968 -4.002 0.363 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.105 -2.517 2.047 1.00 0.51 C ATOM 0 H VAL A 91 -7.043 -5.205 1.508 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.996 -3.405 3.608 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.065 -2.413 1.438 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.350 -3.357 -0.428 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.005 -4.413 0.062 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.671 -4.816 0.538 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.468 -1.902 1.223 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.849 -3.277 2.288 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.932 -1.888 2.920 1.00 0.51 H new ATOM 1414 N SER A 92 -10.072 -4.630 4.232 1.00 0.22 N ATOM 1415 CA SER A 92 -11.086 -5.473 4.819 1.00 0.25 C ATOM 1416 C SER A 92 -12.290 -4.620 5.152 1.00 0.26 C ATOM 1417 O SER A 92 -12.239 -3.754 6.027 1.00 0.30 O ATOM 1418 CB SER A 92 -10.537 -6.175 6.069 1.00 0.32 C ATOM 1419 OG SER A 92 -11.377 -7.247 6.475 1.00 1.18 O ATOM 0 H SER A 92 -9.992 -3.706 4.657 1.00 0.22 H new ATOM 0 HA SER A 92 -11.383 -6.249 4.114 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.535 -6.553 5.865 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.446 -5.455 6.882 1.00 0.32 H new ATOM 0 HG SER A 92 -11.101 -8.070 6.020 1.00 1.18 H new ATOM 1425 N THR A 93 -13.351 -4.814 4.400 1.00 0.28 N ATOM 1426 CA THR A 93 -14.564 -4.072 4.610 1.00 0.35 C ATOM 1427 C THR A 93 -15.729 -5.002 4.570 1.00 0.39 C ATOM 1428 O THR A 93 -15.657 -5.971 3.843 1.00 0.59 O ATOM 1429 CB THR A 93 -14.753 -3.043 3.530 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.489 -2.703 2.963 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.384 -1.820 4.113 1.00 0.57 C ATOM 0 H THR A 93 -13.393 -5.486 3.633 1.00 0.28 H new ATOM 0 HA THR A 93 -14.495 -3.577 5.579 1.00 0.35 H new ATOM 0 HB THR A 93 -15.398 -3.451 2.752 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.852 -2.504 3.680 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.521 -1.073 3.331 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.352 -2.079 4.541 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.739 -1.414 4.893 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.793 -4.655 5.306 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.067 -5.399 5.359 1.00 0.43 C ATOM 1441 C LYS A 94 -17.938 -6.904 5.123 1.00 0.42 C ATOM 1442 O LYS A 94 -18.053 -7.712 6.038 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.109 -4.797 4.385 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.569 -4.116 3.113 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.146 -5.069 2.009 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.248 -6.043 1.611 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.568 -5.393 1.424 1.00 0.65 N ATOM 0 H LYS A 94 -16.795 -3.826 5.900 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.411 -5.284 6.387 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.787 -5.594 4.080 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.703 -4.066 4.934 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.336 -3.448 2.722 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.715 -3.496 3.385 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.844 -4.493 1.134 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.272 -5.632 2.337 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.963 -6.544 0.686 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.336 -6.814 2.377 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.291 -5.914 1.960 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.524 -4.412 1.766 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.817 -5.396 0.414 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.695 -7.239 3.884 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.681 -8.594 3.410 1.00 0.40 C ATOM 1463 C ASP A 95 -16.747 -8.719 2.211 1.00 0.37 C ATOM 1464 O ASP A 95 -16.534 -9.811 1.700 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.093 -8.981 3.016 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.346 -10.471 3.052 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.878 -11.138 3.991 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -20.027 -10.972 2.134 1.00 1.05 O ATOM 0 H ASP A 95 -17.495 -6.554 3.155 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.321 -9.259 4.195 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.796 -8.485 3.685 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.295 -8.611 2.011 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.188 -7.589 1.760 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.280 -7.605 0.641 1.00 0.29 C ATOM 1475 C LYS A 96 -13.883 -7.741 1.185 1.00 0.27 C ATOM 1476 O LYS A 96 -13.463 -6.983 2.064 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.363 -6.355 -0.269 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.745 -6.696 -1.694 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.644 -7.485 -2.381 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.123 -8.141 -3.661 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.130 -7.201 -4.810 1.00 1.29 N ATOM 0 H LYS A 96 -16.356 -6.666 2.159 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.562 -8.445 0.006 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.094 -5.659 0.142 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.400 -5.844 -0.267 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.668 -7.275 -1.698 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -15.941 -5.780 -2.250 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -13.809 -6.821 -2.605 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.269 -8.250 -1.701 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.480 -8.990 -3.894 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -16.128 -8.534 -3.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -16.108 -7.052 -5.131 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -14.719 -6.292 -4.517 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -14.568 -7.600 -5.588 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.197 -8.728 0.699 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.851 -9.001 1.146 1.00 0.29 C ATOM 1497 C PHE A 97 -10.911 -9.147 -0.027 1.00 0.32 C ATOM 1498 O PHE A 97 -11.267 -9.712 -1.058 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.837 -10.267 1.985 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.606 -10.416 2.836 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.540 -9.821 4.088 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.513 -11.144 2.385 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -9.408 -9.950 4.870 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.382 -11.274 3.165 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.328 -10.676 4.411 1.00 0.74 C ATOM 0 H PHE A 97 -13.544 -9.369 -0.015 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.511 -8.161 1.751 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.716 -10.275 2.629 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.918 -11.131 1.325 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -11.381 -9.252 4.455 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.548 -11.614 1.413 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -9.368 -9.482 5.842 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.539 -11.843 2.802 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.444 -10.777 5.023 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.719 -8.619 0.138 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.671 -8.776 -0.866 1.00 0.43 C ATOM 1517 C ASP A 98 -7.340 -8.319 -0.295 1.00 0.36 C ATOM 1518 O ASP A 98 -7.301 -7.534 0.658 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.001 -7.990 -2.141 1.00 0.56 C ATOM 1520 CG ASP A 98 -8.398 -8.612 -3.395 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -7.179 -8.890 -3.390 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -9.127 -8.817 -4.389 1.00 1.60 O ATOM 0 H ASP A 98 -9.443 -8.075 0.956 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.606 -9.831 -1.132 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -10.083 -7.931 -2.255 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.635 -6.968 -2.037 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.262 -8.817 -0.867 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.925 -8.506 -0.396 1.00 0.30 C ATOM 1529 C CYS A 99 -3.939 -8.559 -1.551 1.00 0.32 C ATOM 1530 O CYS A 99 -4.064 -9.380 -2.462 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.478 -9.488 0.686 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.622 -9.662 2.074 1.00 1.19 S ATOM 0 H CYS A 99 -6.287 -9.447 -1.669 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.948 -7.502 0.028 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.331 -10.467 0.230 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.510 -9.167 1.070 1.00 0.34 H new ATOM 0 HG CYS A 99 -6.538 -8.742 1.999 1.00 1.19 H new ATOM 1538 N SER A 100 -2.958 -7.691 -1.499 1.00 0.27 N ATOM 1539 CA SER A 100 -1.961 -7.600 -2.542 1.00 0.30 C ATOM 1540 C SER A 100 -0.558 -7.736 -1.959 1.00 0.31 C ATOM 1541 O SER A 100 -0.244 -7.141 -0.924 1.00 0.42 O ATOM 1542 CB SER A 100 -2.131 -6.267 -3.270 1.00 0.38 C ATOM 1543 OG SER A 100 -2.160 -5.188 -2.354 1.00 0.84 O ATOM 0 H SER A 100 -2.827 -7.028 -0.735 1.00 0.27 H new ATOM 0 HA SER A 100 -2.096 -8.416 -3.252 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.312 -6.127 -3.976 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.054 -6.281 -3.850 1.00 0.38 H new ATOM 0 HG SER A 100 -1.251 -5.001 -2.040 1.00 0.84 H new ATOM 1549 N ASN A 101 0.274 -8.540 -2.605 1.00 0.34 N ATOM 1550 CA ASN A 101 1.656 -8.707 -2.174 1.00 0.37 C ATOM 1551 C ASN A 101 2.622 -8.181 -3.226 1.00 0.42 C ATOM 1552 O ASN A 101 2.661 -8.660 -4.361 1.00 0.65 O ATOM 1553 CB ASN A 101 1.961 -10.171 -1.793 1.00 0.60 C ATOM 1554 CG ASN A 101 1.388 -11.226 -2.743 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.940 -12.285 -2.300 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.429 -10.976 -4.042 1.00 1.05 N ATOM 0 H ASN A 101 0.018 -9.086 -3.428 1.00 0.34 H new ATOM 0 HA ASN A 101 1.797 -8.112 -1.272 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.042 -10.299 -1.744 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.572 -10.357 -0.792 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.084 -11.669 -4.706 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.806 -10.090 -4.379 1.00 1.05 H new ATOM 1563 N PHE A 102 3.384 -7.168 -2.848 1.00 0.31 N ATOM 1564 CA PHE A 102 4.294 -6.506 -3.760 1.00 0.38 C ATOM 1565 C PHE A 102 5.579 -6.164 -3.038 1.00 0.30 C ATOM 1566 O PHE A 102 5.569 -5.508 -1.996 1.00 0.37 O ATOM 1567 CB PHE A 102 3.652 -5.253 -4.369 1.00 0.57 C ATOM 1568 CG PHE A 102 2.703 -4.531 -3.452 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.449 -5.036 -3.163 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.081 -3.338 -2.882 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.588 -4.354 -2.330 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.232 -2.654 -2.056 1.00 0.84 C ATOM 1573 CZ PHE A 102 0.935 -3.252 -1.749 1.00 0.86 C ATOM 0 H PHE A 102 3.387 -6.784 -1.903 1.00 0.31 H new ATOM 0 HA PHE A 102 4.523 -7.184 -4.582 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.442 -4.565 -4.669 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.116 -5.538 -5.275 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.140 -5.976 -3.595 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.062 -2.936 -3.089 1.00 0.61 H new ATOM 0 HE1 PHE A 102 -0.402 -4.750 -2.158 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.513 -1.697 -1.642 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.271 -2.777 -1.042 1.00 0.86 H new ATOM 1583 N ASN A 103 6.678 -6.623 -3.588 1.00 0.24 N ATOM 1584 CA ASN A 103 7.939 -6.565 -2.928 1.00 0.25 C ATOM 1585 C ASN A 103 8.771 -5.415 -3.426 1.00 0.28 C ATOM 1586 O ASN A 103 8.665 -4.976 -4.560 1.00 0.49 O ATOM 1587 CB ASN A 103 8.689 -7.863 -3.167 1.00 0.33 C ATOM 1588 CG ASN A 103 7.953 -9.082 -2.647 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.214 -9.012 -1.666 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.145 -10.208 -3.312 1.00 1.25 N ATOM 0 H ASN A 103 6.711 -7.049 -4.514 1.00 0.24 H new ATOM 0 HA ASN A 103 7.758 -6.418 -1.863 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.865 -7.982 -4.236 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.666 -7.804 -2.687 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.672 -11.062 -3.016 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.766 -10.223 -4.121 1.00 1.25 H new ATOM 1597 N LEU A 104 9.628 -4.963 -2.571 1.00 0.23 N ATOM 1598 CA LEU A 104 10.596 -3.959 -2.932 1.00 0.24 C ATOM 1599 C LEU A 104 11.958 -4.558 -2.784 1.00 0.25 C ATOM 1600 O LEU A 104 12.369 -4.925 -1.686 1.00 0.37 O ATOM 1601 CB LEU A 104 10.510 -2.698 -2.067 1.00 0.27 C ATOM 1602 CG LEU A 104 11.812 -1.946 -1.947 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.806 -0.717 -2.830 1.00 0.28 C ATOM 1604 CD2 LEU A 104 12.130 -1.592 -0.508 1.00 0.30 C ATOM 0 H LEU A 104 9.684 -5.274 -1.601 1.00 0.23 H new ATOM 0 HA LEU A 104 10.391 -3.651 -3.957 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.755 -2.033 -2.487 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.170 -2.977 -1.070 1.00 0.27 H new ATOM 0 HG LEU A 104 12.606 -2.607 -2.293 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.755 -0.190 -2.727 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.668 -1.016 -3.869 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.991 -0.058 -2.531 1.00 0.28 H new ATOM 0 HD21 LEU A 104 13.076 -1.051 -0.467 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.336 -0.965 -0.103 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.208 -2.505 0.083 1.00 0.30 H new ATOM 1616 N THR A 105 12.651 -4.683 -3.878 1.00 0.23 N ATOM 1617 CA THR A 105 13.991 -5.181 -3.819 1.00 0.24 C ATOM 1618 C THR A 105 14.937 -4.012 -3.907 1.00 0.21 C ATOM 1619 O THR A 105 15.223 -3.508 -4.992 1.00 0.22 O ATOM 1620 CB THR A 105 14.283 -6.174 -4.944 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.196 -7.104 -5.059 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.574 -6.929 -4.670 1.00 0.32 C ATOM 0 H THR A 105 12.314 -4.449 -4.812 1.00 0.23 H new ATOM 0 HA THR A 105 14.123 -5.715 -2.878 1.00 0.24 H new ATOM 0 HB THR A 105 14.394 -5.622 -5.877 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.384 -7.739 -5.782 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.764 -7.631 -5.482 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.401 -6.222 -4.600 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.483 -7.476 -3.731 1.00 0.32 H new ATOM 1630 N VAL A 106 15.371 -3.551 -2.755 1.00 0.23 N ATOM 1631 CA VAL A 106 16.322 -2.484 -2.697 1.00 0.23 C ATOM 1632 C VAL A 106 17.696 -3.034 -3.005 1.00 0.25 C ATOM 1633 O VAL A 106 18.246 -3.900 -2.322 1.00 0.28 O ATOM 1634 CB VAL A 106 16.328 -1.731 -1.352 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.481 -2.699 -0.208 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.402 -0.649 -1.364 1.00 0.33 C ATOM 0 H VAL A 106 15.074 -3.906 -1.846 1.00 0.23 H new ATOM 0 HA VAL A 106 16.027 -1.746 -3.443 1.00 0.23 H new ATOM 0 HB VAL A 106 15.372 -1.229 -1.208 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.483 -2.151 0.734 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.651 -3.405 -0.215 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.420 -3.242 -0.314 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.399 -0.122 -0.410 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.378 -1.107 -1.522 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.198 0.057 -2.169 1.00 0.33 H new ATOM 1646 N HIS A 107 18.202 -2.524 -4.073 1.00 0.26 N ATOM 1647 CA HIS A 107 19.472 -2.922 -4.623 1.00 0.31 C ATOM 1648 C HIS A 107 20.550 -2.095 -3.978 1.00 0.34 C ATOM 1649 O HIS A 107 20.742 -0.927 -4.304 1.00 0.36 O ATOM 1650 CB HIS A 107 19.519 -2.711 -6.145 1.00 0.36 C ATOM 1651 CG HIS A 107 18.629 -3.616 -6.952 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.692 -3.683 -8.329 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.646 -4.476 -6.588 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.792 -4.538 -8.771 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.144 -5.039 -7.741 1.00 0.53 N ATOM 0 H HIS A 107 17.737 -1.794 -4.613 1.00 0.26 H new ATOM 0 HA HIS A 107 19.620 -3.984 -4.425 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.247 -1.677 -6.360 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.547 -2.847 -6.482 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.317 -4.682 -5.580 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.615 -4.786 -9.807 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.395 -5.729 -7.788 1.00 0.53 H new ATOM 1664 N GLU A 108 21.197 -2.691 -3.022 1.00 0.45 N ATOM 1665 CA GLU A 108 22.356 -2.084 -2.398 1.00 0.56 C ATOM 1666 C GLU A 108 23.524 -2.051 -3.374 1.00 0.71 C ATOM 1667 O GLU A 108 24.034 -3.093 -3.792 1.00 1.33 O ATOM 1668 CB GLU A 108 22.744 -2.825 -1.121 1.00 0.71 C ATOM 1669 CG GLU A 108 23.935 -2.207 -0.414 1.00 0.87 C ATOM 1670 CD GLU A 108 24.208 -2.827 0.939 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.112 -4.067 1.056 1.00 1.66 O ATOM 1672 OE2 GLU A 108 24.539 -2.083 1.885 1.00 1.67 O ATOM 0 H GLU A 108 20.946 -3.606 -2.648 1.00 0.45 H new ATOM 0 HA GLU A 108 22.099 -1.060 -2.125 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.892 -2.837 -0.442 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.972 -3.863 -1.365 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.819 -2.315 -1.042 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.762 -1.138 -0.289 1.00 0.87 H new