USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 MET CE :methyl 136:sc= -1.38 (180deg=-6.79!) USER MOD Set 1.2: A 93 MET CE :methyl 137:sc= -0.0287 (180deg=-1.15) USER MOD Set 2.1: A 61 ASN : amide:sc= -1.99! C(o=-0.99!,f=-9.9!) USER MOD Set 2.2: A 66 THR OG1 : rot 87:sc= 1 USER MOD Set 3.1: A 10 TYR OH : rot -144:sc= 0.211 USER MOD Set 3.2: A 35 HIS : no HE2:sc= -1.46 X(o=-1.2,f=-0.95) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot -160:sc= -0.067 USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000246 USER MOD Single : A 18 MET CE :methyl 162:sc= -0.753 (180deg=-1.11) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-6.3!) USER MOD Single : A 32 TYR OH : rot 110:sc= -0.275 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.028 (180deg=-0.245) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 0.0538 (180deg=0.0133) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0799 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 58 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.008) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.038) USER MOD Single : A 82 SER OG : rot 180:sc= 0.113 USER MOD Single : A 90 GLN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.205 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.1) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 7 0.467 0.228 -17.392 1.00 10.34 N ATOM 69 CA VAL A 7 0.892 -0.886 -18.232 1.00 2.44 C ATOM 70 C VAL A 7 -0.159 -1.209 -19.289 1.00 5.32 C ATOM 71 O VAL A 7 -1.355 -1.250 -18.999 1.00 24.25 O ATOM 72 CB VAL A 7 1.166 -2.149 -17.395 1.00 52.12 C ATOM 73 CG1 VAL A 7 1.782 -3.239 -18.257 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.066 -1.818 -16.214 1.00 43.52 C ATOM 0 HA VAL A 7 1.815 -0.577 -18.723 1.00 2.44 H new ATOM 0 HB VAL A 7 0.217 -2.521 -17.008 1.00 52.12 H new ATOM 0 HG11 VAL A 7 1.968 -4.123 -17.647 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.097 -3.494 -19.066 1.00 54.24 H new ATOM 0 HG13 VAL A 7 2.723 -2.883 -18.677 1.00 54.24 H new ATOM 0 HG21 VAL A 7 2.250 -2.721 -15.632 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.014 -1.422 -16.579 1.00 43.52 H new ATOM 0 HG23 VAL A 7 1.580 -1.073 -15.584 1.00 43.52 H new ATOM 84 N THR A 8 0.296 -1.437 -20.518 1.00 15.13 N ATOM 85 CA THR A 8 -0.605 -1.756 -21.619 1.00 55.12 C ATOM 86 C THR A 8 -0.133 -2.995 -22.372 1.00 32.31 C ATOM 87 O THR A 8 1.055 -3.145 -22.655 1.00 11.22 O ATOM 88 CB THR A 8 -0.721 -0.581 -22.606 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.526 0.660 -21.918 1.00 2.03 O ATOM 90 CG2 THR A 8 -2.082 -0.580 -23.288 1.00 55.11 C ATOM 0 H THR A 8 1.283 -1.407 -20.775 1.00 15.13 H new ATOM 0 HA THR A 8 -1.584 -1.951 -21.182 1.00 55.12 H new ATOM 0 HB THR A 8 0.050 -0.698 -23.367 1.00 32.32 H new ATOM 0 HG1 THR A 8 -0.600 1.402 -22.554 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.141 0.259 -23.981 1.00 55.11 H new ATOM 0 HG22 THR A 8 -2.215 -1.513 -23.836 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.866 -0.486 -22.536 1.00 55.11 H new ATOM 98 N ILE A 9 -1.073 -3.877 -22.697 1.00 40.31 N ATOM 99 CA ILE A 9 -0.753 -5.101 -23.420 1.00 3.44 C ATOM 100 C ILE A 9 -1.396 -5.106 -24.803 1.00 62.44 C ATOM 101 O ILE A 9 -2.546 -4.695 -24.966 1.00 5.32 O ATOM 102 CB ILE A 9 -1.216 -6.349 -22.646 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.979 -7.610 -23.481 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.685 -6.225 -22.269 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.239 -8.894 -22.723 1.00 32.30 C ATOM 0 H ILE A 9 -2.061 -3.766 -22.471 1.00 40.31 H new ATOM 0 HA ILE A 9 0.331 -5.131 -23.526 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.632 -6.427 -21.729 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.622 -7.580 -24.360 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.051 -7.611 -23.839 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.997 -7.115 -21.723 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.826 -5.345 -21.641 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.286 -6.125 -23.173 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.051 -9.746 -23.376 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.577 -8.946 -21.858 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.276 -8.915 -22.388 1.00 32.30 H new ATOM 117 N TYR A 10 -0.650 -5.577 -25.795 1.00 4.54 N ATOM 118 CA TYR A 10 -1.146 -5.635 -27.164 1.00 30.24 C ATOM 119 C TYR A 10 -1.300 -7.082 -27.627 1.00 22.21 C ATOM 120 O TYR A 10 -0.334 -7.844 -27.650 1.00 41.11 O ATOM 121 CB TYR A 10 -0.202 -4.885 -28.105 1.00 22.32 C ATOM 122 CG TYR A 10 -0.446 -3.394 -28.145 1.00 34.41 C ATOM 123 CD1 TYR A 10 -0.394 -2.630 -26.986 1.00 15.21 C ATOM 124 CD2 TYR A 10 -0.728 -2.749 -29.343 1.00 54.11 C ATOM 125 CE1 TYR A 10 -0.618 -1.267 -27.018 1.00 22.30 C ATOM 126 CE2 TYR A 10 -0.951 -1.386 -29.385 1.00 20.31 C ATOM 127 CZ TYR A 10 -0.896 -0.649 -28.220 1.00 60.44 C ATOM 128 OH TYR A 10 -1.117 0.708 -28.256 1.00 41.33 O ATOM 0 H TYR A 10 0.302 -5.925 -25.676 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.126 -5.158 -27.188 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.827 -5.068 -27.796 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.309 -5.289 -29.112 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -0.175 -3.110 -26.044 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -0.774 -3.323 -30.257 1.00 54.11 H new ATOM 0 HE1 TYR A 10 -0.576 -0.688 -26.107 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -1.167 -0.900 -30.325 1.00 20.31 H new ATOM 0 HH TYR A 10 -1.804 0.910 -28.925 1.00 41.33 H new ATOM 138 N GLY A 11 -2.523 -7.452 -27.994 1.00 41.24 N ATOM 139 CA GLY A 11 -2.782 -8.805 -28.452 1.00 3.41 C ATOM 140 C GLY A 11 -3.944 -8.876 -29.423 1.00 42.14 C ATOM 141 O GLY A 11 -4.412 -7.850 -29.918 1.00 61.14 O ATOM 0 H GLY A 11 -3.339 -6.840 -27.982 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -1.887 -9.200 -28.932 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -2.991 -9.442 -27.593 1.00 3.41 H new ATOM 145 N ILE A 12 -4.410 -10.089 -29.697 1.00 0.23 N ATOM 146 CA ILE A 12 -5.525 -10.290 -30.615 1.00 21.20 C ATOM 147 C ILE A 12 -6.658 -11.058 -29.945 1.00 0.25 C ATOM 148 O ILE A 12 -6.541 -11.483 -28.796 1.00 72.24 O ATOM 149 CB ILE A 12 -5.082 -11.049 -31.880 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.688 -12.485 -31.527 1.00 34.24 C ATOM 151 CG2 ILE A 12 -3.925 -10.327 -32.554 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.247 -13.301 -32.722 1.00 42.40 C ATOM 0 H ILE A 12 -4.033 -10.948 -29.297 1.00 0.23 H new ATOM 0 HA ILE A 12 -5.881 -9.300 -30.901 1.00 21.20 H new ATOM 0 HB ILE A 12 -5.919 -11.082 -32.578 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -3.881 -12.462 -30.795 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.535 -12.980 -31.052 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -3.624 -10.876 -33.446 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.238 -9.321 -32.835 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.083 -10.266 -31.864 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -3.983 -14.308 -32.398 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.060 -13.355 -33.446 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.380 -12.830 -33.185 1.00 42.40 H new ATOM 164 N LYS A 13 -7.756 -11.235 -30.671 1.00 73.52 N ATOM 165 CA LYS A 13 -8.912 -11.955 -30.150 1.00 71.53 C ATOM 166 C LYS A 13 -8.898 -13.410 -30.608 1.00 42.41 C ATOM 167 O LYS A 13 -9.460 -14.283 -29.948 1.00 70.40 O ATOM 168 CB LYS A 13 -10.208 -11.278 -30.603 1.00 10.01 C ATOM 169 CG LYS A 13 -10.711 -10.219 -29.639 1.00 12.21 C ATOM 170 CD LYS A 13 -11.907 -9.472 -30.205 1.00 11.45 C ATOM 171 CE LYS A 13 -12.809 -8.945 -29.099 1.00 71.10 C ATOM 172 NZ LYS A 13 -12.158 -7.851 -28.326 1.00 71.14 N ATOM 0 H LYS A 13 -7.870 -10.889 -31.624 1.00 73.52 H new ATOM 0 HA LYS A 13 -8.861 -11.935 -29.061 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.047 -10.821 -31.579 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.979 -12.038 -30.730 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -10.987 -10.687 -28.694 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -9.909 -9.513 -29.422 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -11.561 -8.642 -30.820 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -12.477 -10.135 -30.856 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -13.740 -8.579 -29.533 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.071 -9.760 -28.424 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -12.805 -7.519 -27.582 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -11.283 -8.207 -27.891 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -11.931 -7.062 -28.965 1.00 71.14 H new ATOM 186 N ASN A 14 -8.252 -13.663 -31.741 1.00 14.55 N ATOM 187 CA ASN A 14 -8.164 -15.012 -32.287 1.00 43.33 C ATOM 188 C ASN A 14 -6.892 -15.708 -31.815 1.00 4.54 C ATOM 189 O ASN A 14 -6.020 -16.042 -32.618 1.00 13.15 O ATOM 190 CB ASN A 14 -8.199 -14.971 -33.816 1.00 12.44 C ATOM 191 CG ASN A 14 -9.245 -14.008 -34.344 1.00 1.15 C ATOM 192 OD1 ASN A 14 -8.940 -12.859 -34.665 1.00 11.24 O ATOM 193 ND2 ASN A 14 -10.485 -14.473 -34.435 1.00 4.23 N ATOM 0 H ASN A 14 -7.781 -12.951 -32.299 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.023 -15.579 -31.926 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -7.218 -14.680 -34.192 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -8.403 -15.971 -34.199 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -11.231 -13.871 -34.783 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -10.692 -15.433 -34.157 1.00 4.23 H new ATOM 200 N CYS A 15 -6.792 -15.924 -30.508 1.00 13.42 N ATOM 201 CA CYS A 15 -5.625 -16.581 -29.929 1.00 5.12 C ATOM 202 C CYS A 15 -5.967 -17.208 -28.581 1.00 45.42 C ATOM 203 O CYS A 15 -6.777 -16.672 -27.823 1.00 62.11 O ATOM 204 CB CYS A 15 -4.480 -15.579 -29.763 1.00 22.14 C ATOM 205 SG CYS A 15 -2.951 -16.305 -29.127 1.00 2.24 S ATOM 0 H CYS A 15 -7.504 -15.654 -29.830 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.310 -17.373 -30.608 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.275 -15.114 -30.727 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -4.801 -14.785 -29.088 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.200 -15.368 -28.629 1.00 2.24 H new ATOM 211 N ASP A 16 -5.346 -18.346 -28.290 1.00 14.03 N ATOM 212 CA ASP A 16 -5.586 -19.048 -27.034 1.00 11.23 C ATOM 213 C ASP A 16 -4.617 -18.576 -25.955 1.00 34.34 C ATOM 214 O ASP A 16 -4.994 -18.410 -24.794 1.00 45.12 O ATOM 215 CB ASP A 16 -5.449 -20.557 -27.234 1.00 50.21 C ATOM 216 CG ASP A 16 -5.944 -21.008 -28.595 1.00 54.43 C ATOM 217 OD1 ASP A 16 -7.173 -20.996 -28.813 1.00 34.14 O ATOM 218 OD2 ASP A 16 -5.101 -21.371 -29.441 1.00 34.04 O ATOM 0 H ASP A 16 -4.673 -18.802 -28.906 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.602 -18.823 -26.709 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -4.403 -20.843 -27.118 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.009 -21.076 -26.456 1.00 50.21 H new ATOM 223 N THR A 17 -3.363 -18.360 -26.344 1.00 62.21 N ATOM 224 CA THR A 17 -2.339 -17.909 -25.410 1.00 10.24 C ATOM 225 C THR A 17 -2.802 -16.679 -24.639 1.00 43.54 C ATOM 226 O THR A 17 -2.557 -16.560 -23.439 1.00 32.13 O ATOM 227 CB THR A 17 -1.022 -17.580 -26.138 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.705 -18.618 -27.072 1.00 51.14 O ATOM 229 CG2 THR A 17 0.119 -17.419 -25.145 1.00 13.05 C ATOM 0 H THR A 17 -3.033 -18.491 -27.300 1.00 62.21 H new ATOM 0 HA THR A 17 -2.165 -18.727 -24.711 1.00 10.24 H new ATOM 0 HB THR A 17 -1.154 -16.639 -26.673 1.00 64.53 H new ATOM 0 HG1 THR A 17 0.133 -18.400 -27.532 1.00 51.14 H new ATOM 0 HG21 THR A 17 1.039 -17.187 -25.682 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.112 -16.608 -24.454 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.249 -18.346 -24.587 1.00 13.05 H new ATOM 237 N MET A 18 -3.473 -15.768 -25.334 1.00 61.22 N ATOM 238 CA MET A 18 -3.973 -14.546 -24.713 1.00 4.42 C ATOM 239 C MET A 18 -4.798 -14.867 -23.471 1.00 72.34 C ATOM 240 O MET A 18 -4.814 -14.100 -22.508 1.00 54.40 O ATOM 241 CB MET A 18 -4.816 -13.748 -25.708 1.00 41.43 C ATOM 242 CG MET A 18 -4.047 -12.636 -26.403 1.00 42.31 C ATOM 243 SD MET A 18 -4.663 -10.996 -25.976 1.00 61.21 S ATOM 244 CE MET A 18 -3.232 -10.300 -25.155 1.00 35.43 C ATOM 0 H MET A 18 -3.684 -15.852 -26.328 1.00 61.22 H new ATOM 0 HA MET A 18 -3.115 -13.944 -24.413 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.215 -14.428 -26.461 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.669 -13.316 -25.184 1.00 41.43 H new ATOM 0 HG2 MET A 18 -2.993 -12.705 -26.135 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.111 -12.775 -27.482 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.326 -9.215 -25.117 1.00 35.43 H new ATOM 0 HE2 MET A 18 -3.167 -10.695 -24.141 1.00 35.43 H new ATOM 0 HE3 MET A 18 -2.331 -10.566 -25.707 1.00 35.43 H new ATOM 254 N LYS A 19 -5.484 -16.005 -23.499 1.00 34.45 N ATOM 255 CA LYS A 19 -6.311 -16.428 -22.376 1.00 44.21 C ATOM 256 C LYS A 19 -5.457 -16.703 -21.143 1.00 43.12 C ATOM 257 O LYS A 19 -5.726 -16.184 -20.060 1.00 22.52 O ATOM 258 CB LYS A 19 -7.107 -17.681 -22.747 1.00 42.21 C ATOM 259 CG LYS A 19 -8.382 -17.855 -21.938 1.00 0.44 C ATOM 260 CD LYS A 19 -9.592 -17.318 -22.684 1.00 30.12 C ATOM 261 CE LYS A 19 -10.844 -18.120 -22.363 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.256 -17.962 -20.941 1.00 12.14 N ATOM 0 H LYS A 19 -5.483 -16.651 -24.288 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.004 -15.619 -22.143 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.362 -17.639 -23.806 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.475 -18.558 -22.606 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.531 -18.911 -21.714 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.282 -17.338 -20.984 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -9.750 -16.273 -22.419 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.403 -17.350 -23.757 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -11.657 -17.799 -23.014 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -10.664 -19.174 -22.574 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -12.113 -18.524 -20.763 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.490 -18.292 -20.319 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.453 -16.960 -20.746 1.00 12.14 H new ATOM 276 N LYS A 20 -4.423 -17.520 -21.315 1.00 34.44 N ATOM 277 CA LYS A 20 -3.526 -17.863 -20.217 1.00 13.54 C ATOM 278 C LYS A 20 -2.843 -16.615 -19.664 1.00 54.33 C ATOM 279 O LYS A 20 -2.814 -16.398 -18.454 1.00 71.32 O ATOM 280 CB LYS A 20 -2.473 -18.868 -20.687 1.00 51.40 C ATOM 281 CG LYS A 20 -3.062 -20.135 -21.280 1.00 41.13 C ATOM 282 CD LYS A 20 -3.301 -21.192 -20.214 1.00 21.45 C ATOM 283 CE LYS A 20 -2.014 -21.918 -19.853 1.00 33.50 C ATOM 284 NZ LYS A 20 -2.254 -23.018 -18.878 1.00 30.33 N ATOM 0 H LYS A 20 -4.185 -17.957 -22.205 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.120 -18.314 -19.422 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.835 -18.391 -21.431 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -1.835 -19.134 -19.844 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.003 -19.901 -21.779 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -2.388 -20.530 -22.040 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -3.719 -20.724 -19.323 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -4.038 -21.911 -20.571 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -1.561 -22.326 -20.757 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -1.302 -21.208 -19.432 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -1.353 -23.489 -18.657 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -2.663 -22.626 -18.006 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -2.914 -23.709 -19.289 1.00 30.33 H new ATOM 298 N ALA A 21 -2.297 -15.800 -20.560 1.00 53.12 N ATOM 299 CA ALA A 21 -1.618 -14.573 -20.161 1.00 1.22 C ATOM 300 C ALA A 21 -2.549 -13.663 -19.367 1.00 43.50 C ATOM 301 O ALA A 21 -2.166 -13.120 -18.330 1.00 22.15 O ATOM 302 CB ALA A 21 -1.083 -13.844 -21.385 1.00 20.30 C ATOM 0 H ALA A 21 -2.311 -15.967 -21.566 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.781 -14.844 -19.517 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.578 -12.930 -21.072 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.377 -14.486 -21.911 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -1.910 -13.593 -22.049 1.00 20.30 H new ATOM 308 N ARG A 22 -3.773 -13.501 -19.860 1.00 25.34 N ATOM 309 CA ARG A 22 -4.757 -12.655 -19.197 1.00 62.34 C ATOM 310 C ARG A 22 -5.100 -13.200 -17.814 1.00 32.15 C ATOM 311 O ARG A 22 -5.093 -12.465 -16.826 1.00 70.51 O ATOM 312 CB ARG A 22 -6.026 -12.553 -20.045 1.00 44.13 C ATOM 313 CG ARG A 22 -5.906 -11.580 -21.206 1.00 55.33 C ATOM 314 CD ARG A 22 -7.168 -11.567 -22.056 1.00 32.33 C ATOM 315 NE ARG A 22 -7.424 -12.865 -22.675 1.00 60.44 N ATOM 316 CZ ARG A 22 -8.467 -13.112 -23.459 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.347 -12.155 -23.718 1.00 3.41 N ATOM 318 NH2 ARG A 22 -8.631 -14.319 -23.985 1.00 10.54 N ATOM 0 H ARG A 22 -4.106 -13.945 -20.716 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.324 -11.661 -19.080 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.273 -13.541 -20.434 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.855 -12.245 -19.408 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.713 -10.578 -20.823 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -5.052 -11.854 -21.825 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -8.020 -11.287 -21.436 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.075 -10.807 -22.832 1.00 32.33 H new ATOM 0 HE ARG A 22 -6.766 -13.623 -22.495 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -9.224 -11.226 -23.315 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -10.147 -12.347 -24.321 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -7.956 -15.058 -23.787 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -9.432 -14.508 -24.587 1.00 10.54 H new ATOM 332 N ILE A 23 -5.399 -14.494 -17.752 1.00 34.41 N ATOM 333 CA ILE A 23 -5.743 -15.137 -16.490 1.00 74.45 C ATOM 334 C ILE A 23 -4.615 -14.993 -15.474 1.00 44.23 C ATOM 335 O ILE A 23 -4.861 -14.827 -14.279 1.00 42.13 O ATOM 336 CB ILE A 23 -6.053 -16.633 -16.687 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.234 -16.810 -17.644 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.347 -17.294 -15.348 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.182 -18.097 -18.437 1.00 52.43 C ATOM 0 H ILE A 23 -5.410 -15.116 -18.560 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.634 -14.636 -16.113 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.179 -17.115 -17.125 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.162 -16.782 -17.072 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.260 -15.968 -18.335 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.564 -18.351 -15.504 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.480 -17.194 -14.695 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.208 -16.811 -14.885 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.050 -18.155 -19.094 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.272 -18.119 -19.036 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.187 -18.946 -17.753 1.00 52.43 H new ATOM 351 N TRP A 24 -3.379 -15.056 -15.956 1.00 31.51 N ATOM 352 CA TRP A 24 -2.213 -14.931 -15.090 1.00 62.05 C ATOM 353 C TRP A 24 -2.100 -13.518 -14.530 1.00 74.25 C ATOM 354 O TRP A 24 -1.961 -13.328 -13.321 1.00 4.31 O ATOM 355 CB TRP A 24 -0.940 -15.291 -15.858 1.00 3.42 C ATOM 356 CG TRP A 24 0.141 -15.854 -14.986 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.530 -17.160 -14.903 1.00 42.14 C ATOM 358 CD2 TRP A 24 0.970 -15.127 -14.073 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.551 -17.289 -13.992 1.00 71.32 N ATOM 360 CE2 TRP A 24 1.840 -16.057 -13.470 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.064 -13.782 -13.707 1.00 41.34 C ATOM 362 CZ2 TRP A 24 2.788 -15.682 -12.523 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.005 -13.411 -12.766 1.00 2.15 C ATOM 364 CH2 TRP A 24 2.859 -14.358 -12.183 1.00 64.41 C ATOM 0 H TRP A 24 -3.159 -15.193 -16.942 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.335 -15.624 -14.257 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.185 -16.016 -16.634 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.564 -14.400 -16.361 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.099 -17.972 -15.470 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.018 -18.162 -13.745 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.412 -13.045 -14.152 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.445 -16.411 -12.072 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.084 -12.374 -12.475 1.00 2.15 H new ATOM 0 HH2 TRP A 24 3.586 -14.037 -11.452 1.00 64.41 H new ATOM 375 N LEU A 25 -2.162 -12.528 -15.414 1.00 11.33 N ATOM 376 CA LEU A 25 -2.068 -11.131 -15.007 1.00 44.32 C ATOM 377 C LEU A 25 -3.153 -10.785 -13.993 1.00 51.32 C ATOM 378 O LEU A 25 -2.874 -10.194 -12.950 1.00 43.22 O ATOM 379 CB LEU A 25 -2.183 -10.215 -16.227 1.00 70.24 C ATOM 380 CG LEU A 25 -0.865 -9.790 -16.874 1.00 60.23 C ATOM 381 CD1 LEU A 25 -0.062 -8.913 -15.927 1.00 21.14 C ATOM 382 CD2 LEU A 25 -0.056 -11.012 -17.287 1.00 3.23 C ATOM 0 H LEU A 25 -2.277 -12.667 -16.418 1.00 11.33 H new ATOM 0 HA LEU A 25 -1.096 -10.980 -14.537 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.788 -10.720 -16.980 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.726 -9.317 -15.932 1.00 70.24 H new ATOM 0 HG LEU A 25 -1.093 -9.209 -17.768 1.00 60.23 H new ATOM 0 HD11 LEU A 25 0.873 -8.621 -16.406 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.638 -8.021 -15.681 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.156 -9.467 -15.014 1.00 21.14 H new ATOM 0 HD21 LEU A 25 0.879 -10.691 -17.746 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.161 -11.619 -16.408 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.628 -11.602 -18.003 1.00 3.23 H new ATOM 394 N GLU A 26 -4.390 -11.159 -14.305 1.00 61.23 N ATOM 395 CA GLU A 26 -5.515 -10.889 -13.418 1.00 64.31 C ATOM 396 C GLU A 26 -5.393 -11.686 -12.124 1.00 74.22 C ATOM 397 O GLU A 26 -5.779 -11.216 -11.054 1.00 53.23 O ATOM 398 CB GLU A 26 -6.835 -11.229 -14.116 1.00 32.45 C ATOM 399 CG GLU A 26 -7.039 -12.717 -14.340 1.00 31.13 C ATOM 400 CD GLU A 26 -8.334 -13.026 -15.065 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.716 -12.239 -15.958 1.00 13.03 O ATOM 402 OE2 GLU A 26 -8.967 -14.053 -14.742 1.00 61.24 O ATOM 0 H GLU A 26 -4.638 -11.649 -15.164 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.503 -9.827 -13.172 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -7.662 -10.843 -13.519 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.870 -10.717 -15.078 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.202 -13.112 -14.915 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -7.035 -13.229 -13.378 1.00 31.13 H new ATOM 409 N ASP A 27 -4.852 -12.895 -12.229 1.00 34.31 N ATOM 410 CA ASP A 27 -4.677 -13.758 -11.068 1.00 72.41 C ATOM 411 C ASP A 27 -3.739 -13.117 -10.049 1.00 33.14 C ATOM 412 O ASP A 27 -4.021 -13.106 -8.851 1.00 3.11 O ATOM 413 CB ASP A 27 -4.130 -15.121 -11.496 1.00 42.32 C ATOM 414 CG ASP A 27 -3.651 -15.949 -10.319 1.00 63.52 C ATOM 415 OD1 ASP A 27 -2.467 -15.819 -9.945 1.00 71.12 O ATOM 416 OD2 ASP A 27 -4.461 -16.726 -9.772 1.00 45.10 O ATOM 0 H ASP A 27 -4.527 -13.299 -13.107 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.652 -13.897 -10.600 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.906 -15.669 -12.030 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.305 -14.975 -12.194 1.00 42.32 H new ATOM 421 N HIS A 28 -2.622 -12.584 -10.536 1.00 21.13 N ATOM 422 CA HIS A 28 -1.642 -11.941 -9.668 1.00 13.54 C ATOM 423 C HIS A 28 -2.120 -10.556 -9.243 1.00 43.42 C ATOM 424 O HIS A 28 -1.605 -9.978 -8.285 1.00 0.32 O ATOM 425 CB HIS A 28 -0.293 -11.831 -10.381 1.00 14.43 C ATOM 426 CG HIS A 28 0.818 -11.363 -9.491 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.904 -10.651 -9.955 1.00 12.03 N ATOM 428 CD2 HIS A 28 1.005 -11.508 -8.160 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.712 -10.380 -8.947 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.190 -10.888 -7.846 1.00 21.13 N ATOM 0 H HIS A 28 -2.374 -12.585 -11.525 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.524 -12.556 -8.776 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.030 -12.804 -10.796 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.390 -11.142 -11.220 1.00 14.43 H new ATOM 0 HD2 HIS A 28 0.346 -12.016 -7.472 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.642 -9.835 -9.012 1.00 24.52 H new ATOM 0 HE2 HIS A 28 2.600 -10.830 -6.914 1.00 21.13 H new ATOM 438 N GLY A 29 -3.106 -10.029 -9.960 1.00 43.32 N ATOM 439 CA GLY A 29 -3.636 -8.716 -9.641 1.00 61.30 C ATOM 440 C GLY A 29 -2.760 -7.595 -10.165 1.00 13.24 C ATOM 441 O GLY A 29 -2.430 -6.662 -9.431 1.00 52.32 O ATOM 0 H GLY A 29 -3.548 -10.487 -10.757 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.636 -8.619 -10.063 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.735 -8.620 -8.560 1.00 61.30 H new ATOM 445 N ILE A 30 -2.382 -7.686 -11.434 1.00 54.44 N ATOM 446 CA ILE A 30 -1.538 -6.671 -12.054 1.00 74.22 C ATOM 447 C ILE A 30 -2.378 -5.629 -12.785 1.00 61.31 C ATOM 448 O ILE A 30 -3.412 -5.950 -13.372 1.00 14.22 O ATOM 449 CB ILE A 30 -0.540 -7.298 -13.047 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.306 -8.364 -12.348 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.348 -6.223 -13.655 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.070 -7.841 -11.152 1.00 25.45 C ATOM 0 H ILE A 30 -2.646 -8.452 -12.054 1.00 54.44 H new ATOM 0 HA ILE A 30 -0.983 -6.188 -11.250 1.00 74.22 H new ATOM 0 HB ILE A 30 -1.100 -7.776 -13.851 1.00 33.02 H new ATOM 0 HG12 ILE A 30 -0.343 -9.178 -12.026 1.00 74.32 H new ATOM 0 HG13 ILE A 30 1.012 -8.784 -13.065 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.047 -6.681 -14.354 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -0.270 -5.497 -14.183 1.00 52.12 H new ATOM 0 HG23 ILE A 30 0.903 -5.719 -12.864 1.00 52.12 H new ATOM 0 HD11 ILE A 30 1.647 -8.651 -10.706 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.745 -7.047 -11.470 1.00 25.45 H new ATOM 0 HD13 ILE A 30 0.369 -7.448 -10.416 1.00 25.45 H new ATOM 464 N ASP A 31 -1.926 -4.381 -12.747 1.00 75.12 N ATOM 465 CA ASP A 31 -2.634 -3.290 -13.408 1.00 21.24 C ATOM 466 C ASP A 31 -2.185 -3.152 -14.859 1.00 75.12 C ATOM 467 O ASP A 31 -1.118 -2.605 -15.140 1.00 63.43 O ATOM 468 CB ASP A 31 -2.402 -1.976 -12.662 1.00 24.41 C ATOM 469 CG ASP A 31 -3.259 -1.858 -11.417 1.00 12.42 C ATOM 470 OD1 ASP A 31 -3.137 -2.725 -10.527 1.00 60.30 O ATOM 471 OD2 ASP A 31 -4.054 -0.898 -11.332 1.00 24.32 O ATOM 0 H ASP A 31 -1.072 -4.099 -12.265 1.00 75.12 H new ATOM 0 HA ASP A 31 -3.699 -3.521 -13.396 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -1.351 -1.900 -12.384 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -2.617 -1.140 -13.328 1.00 24.41 H new ATOM 476 N TYR A 32 -3.006 -3.651 -15.777 1.00 1.34 N ATOM 477 CA TYR A 32 -2.691 -3.586 -17.200 1.00 14.55 C ATOM 478 C TYR A 32 -3.964 -3.498 -18.035 1.00 23.04 C ATOM 479 O TYR A 32 -4.971 -4.134 -17.725 1.00 43.04 O ATOM 480 CB TYR A 32 -1.875 -4.810 -17.619 1.00 44.01 C ATOM 481 CG TYR A 32 -2.713 -6.051 -17.832 1.00 2.43 C ATOM 482 CD1 TYR A 32 -3.575 -6.510 -16.844 1.00 2.21 C ATOM 483 CD2 TYR A 32 -2.642 -6.766 -19.022 1.00 41.42 C ATOM 484 CE1 TYR A 32 -4.342 -7.643 -17.034 1.00 1.10 C ATOM 485 CE2 TYR A 32 -3.406 -7.900 -19.222 1.00 0.12 C ATOM 486 CZ TYR A 32 -4.255 -8.334 -18.224 1.00 70.01 C ATOM 487 OH TYR A 32 -5.016 -9.464 -18.419 1.00 34.31 O ATOM 0 H TYR A 32 -3.894 -4.105 -15.562 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.100 -2.687 -17.376 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -1.339 -4.581 -18.540 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -1.124 -5.015 -16.856 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -3.647 -5.971 -15.911 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -1.978 -6.429 -19.804 1.00 41.42 H new ATOM 0 HE1 TYR A 32 -5.006 -7.986 -16.255 1.00 1.10 H new ATOM 0 HE2 TYR A 32 -3.339 -8.443 -20.153 1.00 0.12 H new ATOM 0 HH TYR A 32 -5.712 -9.279 -19.083 1.00 34.31 H new ATOM 497 N THR A 33 -3.911 -2.702 -19.099 1.00 12.42 N ATOM 498 CA THR A 33 -5.059 -2.529 -19.981 1.00 70.00 C ATOM 499 C THR A 33 -4.959 -3.439 -21.199 1.00 44.51 C ATOM 500 O THR A 33 -3.887 -3.590 -21.788 1.00 22.54 O ATOM 501 CB THR A 33 -5.187 -1.069 -20.454 1.00 0.30 C ATOM 502 OG1 THR A 33 -5.170 -0.185 -19.329 1.00 62.20 O ATOM 503 CG2 THR A 33 -6.471 -0.867 -21.244 1.00 52.41 C ATOM 0 H THR A 33 -3.086 -2.167 -19.370 1.00 12.42 H new ATOM 0 HA THR A 33 -5.944 -2.796 -19.404 1.00 70.00 H new ATOM 0 HB THR A 33 -4.340 -0.846 -21.103 1.00 0.30 H new ATOM 0 HG1 THR A 33 -5.250 0.741 -19.639 1.00 62.20 H new ATOM 0 HG21 THR A 33 -6.540 0.172 -21.568 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.468 -1.520 -22.117 1.00 52.41 H new ATOM 0 HG23 THR A 33 -7.327 -1.108 -20.614 1.00 52.41 H new ATOM 511 N PHE A 34 -6.081 -4.044 -21.574 1.00 20.02 N ATOM 512 CA PHE A 34 -6.120 -4.941 -22.723 1.00 51.35 C ATOM 513 C PHE A 34 -6.352 -4.161 -24.015 1.00 63.42 C ATOM 514 O PHE A 34 -7.403 -3.547 -24.202 1.00 51.44 O ATOM 515 CB PHE A 34 -7.220 -5.989 -22.543 1.00 74.40 C ATOM 516 CG PHE A 34 -7.472 -6.812 -23.774 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.415 -7.313 -24.517 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.765 -7.084 -24.189 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.643 -8.071 -25.650 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.000 -7.841 -25.321 1.00 31.14 C ATOM 521 CZ PHE A 34 -7.938 -8.334 -26.053 1.00 71.33 C ATOM 0 H PHE A 34 -6.976 -3.929 -21.099 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.156 -5.445 -22.791 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.948 -6.652 -21.722 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.144 -5.488 -22.255 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.401 -7.109 -24.207 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.600 -6.700 -23.621 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -5.810 -8.457 -26.219 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.013 -8.047 -25.633 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.119 -8.924 -26.939 1.00 71.33 H new ATOM 531 N HIS A 35 -5.363 -4.189 -24.902 1.00 30.12 N ATOM 532 CA HIS A 35 -5.458 -3.485 -26.175 1.00 4.21 C ATOM 533 C HIS A 35 -5.360 -4.461 -27.344 1.00 71.42 C ATOM 534 O HIS A 35 -4.392 -5.213 -27.459 1.00 23.35 O ATOM 535 CB HIS A 35 -4.356 -2.430 -26.283 1.00 32.13 C ATOM 536 CG HIS A 35 -4.777 -1.074 -25.810 1.00 2.30 C ATOM 537 ND1 HIS A 35 -5.883 -0.864 -25.012 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.233 0.147 -26.024 1.00 54.12 C ATOM 539 CE1 HIS A 35 -6.002 0.426 -24.757 1.00 51.22 C ATOM 540 NE2 HIS A 35 -5.013 1.062 -25.359 1.00 32.22 N ATOM 0 H HIS A 35 -4.487 -4.692 -24.762 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.429 -2.991 -26.217 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.493 -2.757 -25.702 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.033 -2.359 -27.322 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -6.511 -1.592 -24.672 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -3.351 0.362 -26.608 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -6.776 0.883 -24.158 1.00 51.22 H new ATOM 548 N ASP A 36 -6.368 -4.444 -28.208 1.00 25.23 N ATOM 549 CA ASP A 36 -6.396 -5.327 -29.369 1.00 42.21 C ATOM 550 C ASP A 36 -5.724 -4.668 -30.570 1.00 1.23 C ATOM 551 O ASP A 36 -5.799 -3.451 -30.745 1.00 31.51 O ATOM 552 CB ASP A 36 -7.837 -5.702 -29.717 1.00 24.32 C ATOM 553 CG ASP A 36 -7.916 -6.877 -30.673 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.904 -8.030 -30.195 1.00 21.31 O ATOM 555 OD2 ASP A 36 -7.988 -6.642 -31.897 1.00 70.42 O ATOM 0 H ASP A 36 -7.177 -3.828 -28.127 1.00 25.23 H new ATOM 0 HA ASP A 36 -5.844 -6.233 -29.119 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.377 -5.945 -28.802 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.336 -4.841 -30.162 1.00 24.32 H new ATOM 560 N TYR A 37 -5.068 -5.478 -31.392 1.00 30.14 N ATOM 561 CA TYR A 37 -4.380 -4.974 -32.575 1.00 33.02 C ATOM 562 C TYR A 37 -5.312 -4.113 -33.421 1.00 52.25 C ATOM 563 O TYR A 37 -4.884 -3.142 -34.046 1.00 44.22 O ATOM 564 CB TYR A 37 -3.841 -6.135 -33.411 1.00 4.33 C ATOM 565 CG TYR A 37 -4.921 -6.933 -34.107 1.00 34.33 C ATOM 566 CD1 TYR A 37 -5.722 -7.820 -33.398 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.139 -6.801 -35.473 1.00 30.14 C ATOM 568 CE1 TYR A 37 -6.709 -8.551 -34.030 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.124 -7.528 -36.112 1.00 74.45 C ATOM 570 CZ TYR A 37 -6.907 -8.402 -35.386 1.00 12.12 C ATOM 571 OH TYR A 37 -7.888 -9.128 -36.020 1.00 41.03 O ATOM 0 H TYR A 37 -4.998 -6.487 -31.261 1.00 30.14 H new ATOM 0 HA TYR A 37 -3.545 -4.356 -32.243 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.151 -5.744 -34.159 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.268 -6.801 -32.766 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -5.570 -7.940 -32.335 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -4.528 -6.118 -36.045 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -7.323 -9.236 -33.464 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -6.281 -7.413 -37.174 1.00 74.45 H new ATOM 0 HH TYR A 37 -7.896 -8.904 -36.974 1.00 41.03 H new ATOM 581 N LYS A 38 -6.591 -4.474 -33.437 1.00 0.11 N ATOM 582 CA LYS A 38 -7.587 -3.735 -34.203 1.00 54.34 C ATOM 583 C LYS A 38 -8.146 -2.572 -33.391 1.00 63.30 C ATOM 584 O LYS A 38 -8.256 -1.450 -33.887 1.00 51.11 O ATOM 585 CB LYS A 38 -8.723 -4.666 -34.632 1.00 63.31 C ATOM 586 CG LYS A 38 -9.521 -4.147 -35.815 1.00 54.42 C ATOM 587 CD LYS A 38 -10.420 -5.225 -36.398 1.00 63.40 C ATOM 588 CE LYS A 38 -9.660 -6.123 -37.361 1.00 74.30 C ATOM 589 NZ LYS A 38 -9.305 -5.412 -38.620 1.00 30.43 N ATOM 0 H LYS A 38 -6.962 -5.276 -32.927 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.101 -3.332 -35.091 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.306 -5.641 -34.885 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.396 -4.816 -33.788 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.127 -3.297 -35.501 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -8.839 -3.785 -36.585 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -10.839 -5.827 -35.591 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -11.258 -4.760 -36.917 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -8.751 -6.485 -36.880 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -10.266 -6.998 -37.597 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -9.088 -6.108 -39.362 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -10.106 -4.822 -38.923 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -8.473 -4.810 -38.456 1.00 30.43 H new ATOM 603 N LYS A 39 -8.496 -2.845 -32.139 1.00 13.11 N ATOM 604 CA LYS A 39 -9.042 -1.821 -31.256 1.00 43.13 C ATOM 605 C LYS A 39 -8.111 -0.616 -31.180 1.00 2.14 C ATOM 606 O LYS A 39 -8.557 0.512 -30.974 1.00 41.33 O ATOM 607 CB LYS A 39 -9.267 -2.395 -29.854 1.00 74.40 C ATOM 608 CG LYS A 39 -10.115 -1.504 -28.962 1.00 14.42 C ATOM 609 CD LYS A 39 -10.669 -2.273 -27.774 1.00 32.52 C ATOM 610 CE LYS A 39 -9.653 -2.362 -26.645 1.00 13.12 C ATOM 611 NZ LYS A 39 -10.296 -2.709 -25.347 1.00 4.24 N ATOM 0 H LYS A 39 -8.411 -3.768 -31.712 1.00 13.11 H new ATOM 0 HA LYS A 39 -9.998 -1.494 -31.666 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -9.747 -3.370 -29.942 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -8.300 -2.558 -29.377 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -9.515 -0.666 -28.607 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -10.938 -1.084 -29.541 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.574 -1.784 -27.413 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -10.953 -3.277 -28.089 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -8.902 -3.113 -26.891 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -9.132 -1.409 -26.549 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -9.572 -3.040 -24.678 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -10.768 -1.868 -24.958 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -10.998 -3.462 -25.497 1.00 4.24 H new ATOM 625 N GLU A 40 -6.815 -0.863 -31.349 1.00 43.23 N ATOM 626 CA GLU A 40 -5.822 0.204 -31.299 1.00 30.23 C ATOM 627 C GLU A 40 -5.571 0.777 -32.691 1.00 71.01 C ATOM 628 O GLU A 40 -5.181 1.935 -32.836 1.00 70.35 O ATOM 629 CB GLU A 40 -4.512 -0.316 -30.705 1.00 33.12 C ATOM 630 CG GLU A 40 -4.375 -0.059 -29.213 1.00 71.13 C ATOM 631 CD GLU A 40 -4.529 1.407 -28.858 1.00 51.30 C ATOM 632 OE1 GLU A 40 -3.520 2.141 -28.917 1.00 43.15 O ATOM 633 OE2 GLU A 40 -5.658 1.820 -28.522 1.00 11.55 O ATOM 0 H GLU A 40 -6.429 -1.791 -31.521 1.00 43.23 H new ATOM 0 HA GLU A 40 -6.210 0.999 -30.662 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -4.440 -1.388 -30.888 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -3.676 0.153 -31.224 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -5.126 -0.640 -28.677 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -3.400 -0.410 -28.875 1.00 71.13 H new ATOM 640 N GLY A 41 -5.795 -0.044 -33.713 1.00 12.45 N ATOM 641 CA GLY A 41 -5.587 0.398 -35.079 1.00 0.44 C ATOM 642 C GLY A 41 -4.128 0.676 -35.382 1.00 54.13 C ATOM 643 O GLY A 41 -3.612 1.748 -35.062 1.00 32.21 O ATOM 0 H GLY A 41 -6.117 -1.007 -33.619 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -5.959 -0.363 -35.765 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.171 1.301 -35.258 1.00 0.44 H new ATOM 647 N LEU A 42 -3.459 -0.292 -36.000 1.00 61.22 N ATOM 648 CA LEU A 42 -2.049 -0.146 -36.346 1.00 32.11 C ATOM 649 C LEU A 42 -1.887 0.596 -37.668 1.00 60.11 C ATOM 650 O LEU A 42 -2.227 0.075 -38.731 1.00 61.12 O ATOM 651 CB LEU A 42 -1.382 -1.521 -36.434 1.00 31.00 C ATOM 652 CG LEU A 42 0.089 -1.579 -36.022 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.918 -0.618 -36.860 1.00 61.11 C ATOM 654 CD2 LEU A 42 0.241 -1.265 -34.540 1.00 25.43 C ATOM 0 H LEU A 42 -3.870 -1.185 -36.271 1.00 61.22 H new ATOM 0 HA LEU A 42 -1.565 0.437 -35.562 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -1.942 -2.215 -35.808 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -1.466 -1.879 -37.460 1.00 31.00 H new ATOM 0 HG LEU A 42 0.455 -2.590 -36.198 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.962 -0.674 -36.552 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.835 -0.889 -37.913 1.00 61.11 H new ATOM 0 HD13 LEU A 42 0.551 0.399 -36.717 1.00 61.11 H new ATOM 0 HD21 LEU A 42 1.295 -1.311 -34.265 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.143 -0.265 -34.339 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -0.319 -1.994 -33.954 1.00 25.43 H new ATOM 666 N ASP A 43 -1.362 1.814 -37.596 1.00 24.10 N ATOM 667 CA ASP A 43 -1.150 2.627 -38.788 1.00 33.24 C ATOM 668 C ASP A 43 0.317 2.606 -39.207 1.00 21.14 C ATOM 669 O ASP A 43 1.154 1.999 -38.540 1.00 4.53 O ATOM 670 CB ASP A 43 -1.599 4.067 -38.536 1.00 14.14 C ATOM 671 CG ASP A 43 -2.082 4.753 -39.798 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.191 4.422 -40.267 1.00 4.11 O ATOM 673 OD2 ASP A 43 -1.351 5.622 -40.317 1.00 52.23 O ATOM 0 H ASP A 43 -1.075 2.260 -36.725 1.00 24.10 H new ATOM 0 HA ASP A 43 -1.747 2.204 -39.596 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -2.399 4.071 -37.795 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -0.770 4.634 -38.113 1.00 14.14 H new ATOM 678 N ALA A 44 0.620 3.270 -40.318 1.00 11.33 N ATOM 679 CA ALA A 44 1.984 3.328 -40.826 1.00 41.31 C ATOM 680 C ALA A 44 2.932 3.920 -39.788 1.00 2.35 C ATOM 681 O ALA A 44 4.005 3.373 -39.531 1.00 3.31 O ATOM 682 CB ALA A 44 2.035 4.138 -42.112 1.00 54.41 C ATOM 0 H ALA A 44 -0.062 3.775 -40.883 1.00 11.33 H new ATOM 0 HA ALA A 44 2.309 2.310 -41.038 1.00 41.31 H new ATOM 0 HB1 ALA A 44 3.060 4.173 -42.480 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.396 3.671 -42.862 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.685 5.152 -41.918 1.00 54.41 H new ATOM 688 N GLU A 45 2.529 5.039 -39.195 1.00 21.11 N ATOM 689 CA GLU A 45 3.343 5.704 -38.185 1.00 32.33 C ATOM 690 C GLU A 45 3.709 4.741 -37.059 1.00 22.11 C ATOM 691 O GLU A 45 4.877 4.611 -36.693 1.00 3.32 O ATOM 692 CB GLU A 45 2.602 6.915 -37.616 1.00 25.10 C ATOM 693 CG GLU A 45 3.480 7.828 -36.777 1.00 65.44 C ATOM 694 CD GLU A 45 2.676 8.731 -35.860 1.00 54.25 C ATOM 695 OE1 GLU A 45 1.449 8.528 -35.757 1.00 31.22 O ATOM 696 OE2 GLU A 45 3.275 9.639 -35.247 1.00 35.42 O ATOM 0 H GLU A 45 1.644 5.504 -39.397 1.00 21.11 H new ATOM 0 HA GLU A 45 4.263 6.042 -38.662 1.00 32.33 H new ATOM 0 HB2 GLU A 45 2.177 7.490 -38.439 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.768 6.566 -37.007 1.00 25.10 H new ATOM 0 HG2 GLU A 45 4.160 7.222 -36.179 1.00 65.44 H new ATOM 0 HG3 GLU A 45 4.095 8.441 -37.436 1.00 65.44 H new ATOM 703 N THR A 46 2.700 4.070 -36.513 1.00 73.34 N ATOM 704 CA THR A 46 2.913 3.120 -35.428 1.00 14.20 C ATOM 705 C THR A 46 3.875 2.015 -35.845 1.00 20.44 C ATOM 706 O THR A 46 4.830 1.705 -35.131 1.00 51.10 O ATOM 707 CB THR A 46 1.586 2.486 -34.968 1.00 72.32 C ATOM 708 OG1 THR A 46 0.502 3.388 -35.209 1.00 61.33 O ATOM 709 CG2 THR A 46 1.640 2.131 -33.490 1.00 1.32 C ATOM 0 H THR A 46 1.727 4.167 -36.804 1.00 73.34 H new ATOM 0 HA THR A 46 3.346 3.679 -34.599 1.00 14.20 H new ATOM 0 HB THR A 46 1.429 1.571 -35.539 1.00 72.32 H new ATOM 0 HG1 THR A 46 -0.338 2.976 -34.915 1.00 61.33 H new ATOM 0 HG21 THR A 46 0.692 1.685 -33.188 1.00 1.32 H new ATOM 0 HG22 THR A 46 2.448 1.420 -33.316 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.819 3.033 -32.905 1.00 1.32 H new ATOM 717 N LEU A 47 3.619 1.421 -37.006 1.00 41.05 N ATOM 718 CA LEU A 47 4.464 0.349 -37.520 1.00 30.54 C ATOM 719 C LEU A 47 5.922 0.791 -37.591 1.00 4.21 C ATOM 720 O LEU A 47 6.825 0.057 -37.189 1.00 62.44 O ATOM 721 CB LEU A 47 3.983 -0.086 -38.905 1.00 40.43 C ATOM 722 CG LEU A 47 4.198 -1.559 -39.258 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.669 -1.927 -39.139 1.00 72.53 C ATOM 724 CD2 LEU A 47 3.349 -2.451 -38.363 1.00 35.34 C ATOM 0 H LEU A 47 2.833 1.664 -37.609 1.00 41.05 H new ATOM 0 HA LEU A 47 4.393 -0.496 -36.835 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.918 0.134 -38.984 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.491 0.524 -39.652 1.00 40.43 H new ATOM 0 HG LEU A 47 3.888 -1.714 -40.291 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.803 -2.978 -39.394 1.00 72.53 H new ATOM 0 HD12 LEU A 47 6.255 -1.311 -39.821 1.00 72.53 H new ATOM 0 HD13 LEU A 47 6.005 -1.756 -38.116 1.00 72.53 H new ATOM 0 HD21 LEU A 47 3.514 -3.495 -38.628 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.628 -2.292 -37.321 1.00 35.34 H new ATOM 0 HD23 LEU A 47 2.296 -2.205 -38.498 1.00 35.34 H new ATOM 736 N ASP A 48 6.145 1.996 -38.104 1.00 1.01 N ATOM 737 CA ASP A 48 7.494 2.539 -38.225 1.00 1.33 C ATOM 738 C ASP A 48 8.149 2.677 -36.855 1.00 4.12 C ATOM 739 O ASP A 48 9.268 2.212 -36.641 1.00 45.52 O ATOM 740 CB ASP A 48 7.459 3.896 -38.928 1.00 15.35 C ATOM 741 CG ASP A 48 8.831 4.534 -39.024 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.814 3.795 -39.242 1.00 70.50 O ATOM 743 OD2 ASP A 48 8.922 5.771 -38.880 1.00 12.50 O ATOM 0 H ASP A 48 5.409 2.616 -38.443 1.00 1.01 H new ATOM 0 HA ASP A 48 8.086 1.846 -38.822 1.00 1.33 H new ATOM 0 HB2 ASP A 48 7.048 3.772 -39.930 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.788 4.564 -38.389 1.00 15.35 H new ATOM 748 N ARG A 49 7.443 3.320 -35.930 1.00 40.22 N ATOM 749 CA ARG A 49 7.957 3.521 -34.580 1.00 24.55 C ATOM 750 C ARG A 49 8.293 2.187 -33.921 1.00 53.00 C ATOM 751 O ARG A 49 9.264 2.080 -33.172 1.00 73.52 O ATOM 752 CB ARG A 49 6.935 4.279 -33.731 1.00 41.24 C ATOM 753 CG ARG A 49 6.877 5.768 -34.031 1.00 35.00 C ATOM 754 CD ARG A 49 6.113 6.524 -32.955 1.00 53.11 C ATOM 755 NE ARG A 49 6.805 6.494 -31.670 1.00 73.43 N ATOM 756 CZ ARG A 49 6.241 6.857 -30.523 1.00 12.33 C ATOM 757 NH1 ARG A 49 4.982 7.275 -30.503 1.00 1.45 N ATOM 758 NH2 ARG A 49 6.935 6.802 -29.394 1.00 21.11 N ATOM 0 H ARG A 49 6.514 3.710 -36.091 1.00 40.22 H new ATOM 0 HA ARG A 49 8.871 4.111 -34.650 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.948 3.846 -33.893 1.00 41.24 H new ATOM 0 HB3 ARG A 49 7.175 4.139 -32.677 1.00 41.24 H new ATOM 0 HG2 ARG A 49 7.889 6.165 -34.107 1.00 35.00 H new ATOM 0 HG3 ARG A 49 6.399 5.927 -34.998 1.00 35.00 H new ATOM 0 HD2 ARG A 49 5.974 7.559 -33.268 1.00 53.11 H new ATOM 0 HD3 ARG A 49 5.120 6.089 -32.842 1.00 53.11 H new ATOM 0 HE ARG A 49 7.774 6.177 -31.652 1.00 73.43 H new ATOM 0 HH11 ARG A 49 4.445 7.318 -31.369 1.00 1.45 H new ATOM 0 HH12 ARG A 49 4.551 7.553 -29.621 1.00 1.45 H new ATOM 0 HH21 ARG A 49 7.903 6.481 -29.406 1.00 21.11 H new ATOM 0 HH22 ARG A 49 6.501 7.081 -28.514 1.00 21.11 H new ATOM 772 N PHE A 50 7.484 1.172 -34.205 1.00 52.05 N ATOM 773 CA PHE A 50 7.694 -0.155 -33.639 1.00 23.30 C ATOM 774 C PHE A 50 8.889 -0.842 -34.293 1.00 71.14 C ATOM 775 O PHE A 50 9.624 -1.587 -33.643 1.00 40.10 O ATOM 776 CB PHE A 50 6.439 -1.012 -33.816 1.00 63.44 C ATOM 777 CG PHE A 50 5.461 -0.884 -32.683 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.853 -1.145 -31.379 1.00 32.42 C ATOM 779 CD2 PHE A 50 4.150 -0.504 -32.921 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.955 -1.029 -30.335 1.00 14.22 C ATOM 781 CE2 PHE A 50 3.248 -0.385 -31.881 1.00 41.31 C ATOM 782 CZ PHE A 50 3.651 -0.647 -30.586 1.00 24.45 C ATOM 0 H PHE A 50 6.677 1.243 -34.824 1.00 52.05 H new ATOM 0 HA PHE A 50 7.901 -0.041 -32.575 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.945 -0.730 -34.746 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.733 -2.057 -33.915 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.871 -1.442 -31.177 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.829 -0.298 -33.932 1.00 14.32 H new ATOM 0 HE1 PHE A 50 5.272 -1.237 -29.324 1.00 14.22 H new ATOM 0 HE2 PHE A 50 2.229 -0.087 -32.080 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.948 -0.553 -29.771 1.00 24.45 H new ATOM 792 N LEU A 51 9.078 -0.586 -35.582 1.00 22.50 N ATOM 793 CA LEU A 51 10.185 -1.180 -36.326 1.00 0.23 C ATOM 794 C LEU A 51 11.522 -0.619 -35.852 1.00 53.31 C ATOM 795 O LEU A 51 12.501 -1.353 -35.717 1.00 22.12 O ATOM 796 CB LEU A 51 10.014 -0.923 -37.824 1.00 24.51 C ATOM 797 CG LEU A 51 10.646 -1.954 -38.758 1.00 22.33 C ATOM 798 CD1 LEU A 51 12.153 -2.008 -38.553 1.00 70.24 C ATOM 799 CD2 LEU A 51 10.027 -3.326 -38.536 1.00 23.22 C ATOM 0 H LEU A 51 8.480 0.028 -36.135 1.00 22.50 H new ATOM 0 HA LEU A 51 10.178 -2.255 -36.145 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.948 -0.869 -38.044 1.00 24.51 H new ATOM 0 HB3 LEU A 51 10.437 0.055 -38.055 1.00 24.51 H new ATOM 0 HG LEU A 51 10.450 -1.651 -39.787 1.00 22.33 H new ATOM 0 HD11 LEU A 51 12.586 -2.748 -39.227 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.584 -1.029 -38.764 1.00 70.24 H new ATOM 0 HD13 LEU A 51 12.370 -2.286 -37.522 1.00 70.24 H new ATOM 0 HD21 LEU A 51 10.490 -4.047 -39.210 1.00 23.22 H new ATOM 0 HD22 LEU A 51 10.191 -3.637 -37.504 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.956 -3.279 -38.735 1.00 23.22 H new ATOM 811 N LYS A 52 11.555 0.685 -35.599 1.00 72.22 N ATOM 812 CA LYS A 52 12.771 1.344 -35.136 1.00 13.04 C ATOM 813 C LYS A 52 13.116 0.913 -33.715 1.00 1.22 C ATOM 814 O LYS A 52 14.259 0.558 -33.422 1.00 22.51 O ATOM 815 CB LYS A 52 12.604 2.864 -35.193 1.00 14.41 C ATOM 816 CG LYS A 52 12.675 3.431 -36.600 1.00 64.25 C ATOM 817 CD LYS A 52 12.540 4.945 -36.598 1.00 12.02 C ATOM 818 CE LYS A 52 13.830 5.619 -36.159 1.00 32.31 C ATOM 819 NZ LYS A 52 13.969 6.984 -36.740 1.00 13.43 N ATOM 0 H LYS A 52 10.754 1.307 -35.707 1.00 72.22 H new ATOM 0 HA LYS A 52 13.588 1.049 -35.794 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.645 3.133 -34.750 1.00 14.41 H new ATOM 0 HB3 LYS A 52 13.378 3.329 -34.583 1.00 14.41 H new ATOM 0 HG2 LYS A 52 13.623 3.150 -37.059 1.00 64.25 H new ATOM 0 HG3 LYS A 52 11.884 2.995 -37.210 1.00 64.25 H new ATOM 0 HD2 LYS A 52 12.270 5.289 -37.597 1.00 12.02 H new ATOM 0 HD3 LYS A 52 11.730 5.238 -35.931 1.00 12.02 H new ATOM 0 HE2 LYS A 52 13.854 5.683 -35.071 1.00 32.31 H new ATOM 0 HE3 LYS A 52 14.680 5.007 -36.461 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 14.861 7.410 -36.417 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 13.972 6.921 -37.778 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 13.171 7.576 -36.431 1.00 13.43 H new ATOM 833 N THR A 53 12.121 0.943 -32.834 1.00 24.20 N ATOM 834 CA THR A 53 12.320 0.554 -31.442 1.00 34.52 C ATOM 835 C THR A 53 12.593 -0.940 -31.323 1.00 21.14 C ATOM 836 O THR A 53 13.331 -1.378 -30.440 1.00 72.44 O ATOM 837 CB THR A 53 11.096 0.912 -30.579 1.00 24.53 C ATOM 838 OG1 THR A 53 10.699 2.265 -30.828 1.00 13.12 O ATOM 839 CG2 THR A 53 11.405 0.733 -29.100 1.00 64.44 C ATOM 0 H THR A 53 11.169 1.232 -33.059 1.00 24.20 H new ATOM 0 HA THR A 53 13.185 1.108 -31.079 1.00 34.52 H new ATOM 0 HB THR A 53 10.281 0.240 -30.848 1.00 24.53 H new ATOM 0 HG1 THR A 53 10.176 2.305 -31.656 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.525 0.992 -28.511 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.678 -0.305 -28.908 1.00 64.44 H new ATOM 0 HG23 THR A 53 12.234 1.384 -28.820 1.00 64.44 H new ATOM 847 N VAL A 54 11.993 -1.721 -32.216 1.00 5.34 N ATOM 848 CA VAL A 54 12.173 -3.167 -32.211 1.00 43.11 C ATOM 849 C VAL A 54 12.231 -3.719 -33.631 1.00 50.42 C ATOM 850 O VAL A 54 11.412 -3.383 -34.489 1.00 41.32 O ATOM 851 CB VAL A 54 11.039 -3.872 -31.444 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.255 -5.377 -31.434 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.938 -3.329 -30.026 1.00 51.22 C ATOM 0 H VAL A 54 11.378 -1.376 -32.952 1.00 5.34 H new ATOM 0 HA VAL A 54 13.119 -3.366 -31.708 1.00 43.11 H new ATOM 0 HB VAL A 54 10.098 -3.669 -31.954 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.444 -5.857 -30.887 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.273 -5.749 -32.458 1.00 15.02 H new ATOM 0 HG13 VAL A 54 12.204 -5.605 -30.949 1.00 15.02 H new ATOM 0 HG21 VAL A 54 10.132 -3.838 -29.498 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.879 -3.500 -29.503 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.731 -2.259 -30.060 1.00 51.22 H new ATOM 863 N PRO A 55 13.219 -4.587 -33.890 1.00 2.25 N ATOM 864 CA PRO A 55 13.407 -5.205 -35.205 1.00 2.03 C ATOM 865 C PRO A 55 12.307 -6.209 -35.537 1.00 74.41 C ATOM 866 O PRO A 55 11.854 -6.956 -34.670 1.00 51.24 O ATOM 867 CB PRO A 55 14.757 -5.916 -35.076 1.00 33.24 C ATOM 868 CG PRO A 55 14.906 -6.180 -33.616 1.00 34.23 C ATOM 869 CD PRO A 55 14.230 -5.033 -32.916 1.00 62.25 C ATOM 0 HA PRO A 55 13.373 -4.469 -36.008 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.773 -6.843 -35.650 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.570 -5.294 -35.451 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.446 -7.130 -33.342 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.958 -6.243 -33.336 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.773 -5.348 -31.978 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.935 -4.237 -32.676 1.00 62.25 H new ATOM 877 N TRP A 56 11.883 -6.220 -36.795 1.00 2.13 N ATOM 878 CA TRP A 56 10.837 -7.132 -37.241 1.00 72.32 C ATOM 879 C TRP A 56 11.204 -8.578 -36.924 1.00 33.30 C ATOM 880 O TRP A 56 10.329 -9.423 -36.739 1.00 54.31 O ATOM 881 CB TRP A 56 10.596 -6.972 -38.742 1.00 43.12 C ATOM 882 CG TRP A 56 11.835 -7.161 -39.566 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.661 -6.182 -40.038 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.384 -8.404 -40.015 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.692 -6.742 -40.753 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.545 -8.105 -40.753 1.00 54.44 C ATOM 887 CE3 TRP A 56 12.010 -9.742 -39.862 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.331 -9.094 -41.338 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.791 -10.722 -40.443 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.941 -10.395 -41.173 1.00 14.15 C ATOM 0 H TRP A 56 12.248 -5.607 -37.525 1.00 2.13 H new ATOM 0 HA TRP A 56 9.921 -6.883 -36.705 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.843 -7.693 -39.061 1.00 43.12 H new ATOM 0 HB3 TRP A 56 10.189 -5.979 -38.934 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.524 -5.123 -39.874 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.445 -6.227 -41.210 1.00 11.50 H new ATOM 0 HE3 TRP A 56 11.126 -10.005 -39.300 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 15.217 -8.843 -41.902 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.510 -11.759 -40.332 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.531 -11.185 -41.614 1.00 14.15 H new ATOM 901 N GLU A 57 12.502 -8.854 -36.861 1.00 24.51 N ATOM 902 CA GLU A 57 12.983 -10.199 -36.567 1.00 64.15 C ATOM 903 C GLU A 57 12.431 -10.694 -35.233 1.00 74.11 C ATOM 904 O GLU A 57 12.172 -11.885 -35.063 1.00 43.02 O ATOM 905 CB GLU A 57 14.513 -10.223 -36.539 1.00 44.32 C ATOM 906 CG GLU A 57 15.110 -9.513 -35.336 1.00 74.32 C ATOM 907 CD GLU A 57 16.454 -8.881 -35.640 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.514 -8.023 -36.546 1.00 35.22 O ATOM 909 OE2 GLU A 57 17.446 -9.244 -34.974 1.00 73.32 O ATOM 0 H GLU A 57 13.239 -8.165 -37.009 1.00 24.51 H new ATOM 0 HA GLU A 57 12.631 -10.864 -37.356 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.852 -11.259 -36.544 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.892 -9.759 -37.449 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.419 -8.742 -34.994 1.00 74.32 H new ATOM 0 HG3 GLU A 57 15.224 -10.225 -34.518 1.00 74.32 H new ATOM 916 N GLN A 58 12.256 -9.772 -34.293 1.00 73.33 N ATOM 917 CA GLN A 58 11.736 -10.114 -32.975 1.00 13.45 C ATOM 918 C GLN A 58 10.398 -9.428 -32.721 1.00 24.32 C ATOM 919 O GLN A 58 10.021 -9.182 -31.575 1.00 52.14 O ATOM 920 CB GLN A 58 12.739 -9.719 -31.889 1.00 52.31 C ATOM 921 CG GLN A 58 14.031 -10.517 -31.937 1.00 2.22 C ATOM 922 CD GLN A 58 14.690 -10.642 -30.576 1.00 73.04 C ATOM 923 OE1 GLN A 58 15.836 -10.232 -30.388 1.00 12.51 O ATOM 924 NE2 GLN A 58 13.968 -11.210 -29.618 1.00 11.14 N ATOM 0 H GLN A 58 12.467 -8.782 -34.419 1.00 73.33 H new ATOM 0 HA GLN A 58 11.582 -11.193 -32.943 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.972 -8.659 -31.989 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.275 -9.852 -30.912 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.824 -11.513 -32.329 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.724 -10.039 -32.630 1.00 2.22 H new ATOM 0 HE21 GLN A 58 13.022 -11.536 -29.817 1.00 11.14 H new ATOM 0 HE22 GLN A 58 14.359 -11.321 -28.682 1.00 11.14 H new ATOM 933 N LEU A 59 9.683 -9.121 -33.798 1.00 41.15 N ATOM 934 CA LEU A 59 8.385 -8.462 -33.693 1.00 23.12 C ATOM 935 C LEU A 59 7.279 -9.346 -34.257 1.00 51.11 C ATOM 936 O LEU A 59 6.132 -9.286 -33.810 1.00 4.12 O ATOM 937 CB LEU A 59 8.410 -7.123 -34.433 1.00 20.44 C ATOM 938 CG LEU A 59 7.332 -6.116 -34.034 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.658 -5.490 -32.686 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.183 -5.042 -35.101 1.00 61.44 C ATOM 0 H LEU A 59 9.980 -9.318 -34.754 1.00 41.15 H new ATOM 0 HA LEU A 59 8.180 -8.284 -32.637 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.385 -6.662 -34.276 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.318 -7.319 -35.501 1.00 20.44 H new ATOM 0 HG LEU A 59 6.383 -6.645 -33.946 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.879 -4.776 -32.419 1.00 5.54 H new ATOM 0 HD12 LEU A 59 7.712 -6.270 -31.926 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.617 -4.975 -32.746 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.411 -4.334 -34.799 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.130 -4.516 -35.223 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.901 -5.505 -36.047 1.00 61.44 H new ATOM 952 N LEU A 60 7.628 -10.169 -35.240 1.00 55.45 N ATOM 953 CA LEU A 60 6.664 -11.069 -35.864 1.00 62.31 C ATOM 954 C LEU A 60 7.095 -12.523 -35.704 1.00 44.10 C ATOM 955 O LEU A 60 8.266 -12.856 -35.875 1.00 61.30 O ATOM 956 CB LEU A 60 6.508 -10.732 -37.348 1.00 44.32 C ATOM 957 CG LEU A 60 7.634 -11.209 -38.266 1.00 11.04 C ATOM 958 CD1 LEU A 60 7.216 -12.466 -39.013 1.00 41.24 C ATOM 959 CD2 LEU A 60 8.026 -10.110 -39.244 1.00 71.44 C ATOM 0 H LEU A 60 8.572 -10.232 -35.622 1.00 55.45 H new ATOM 0 HA LEU A 60 5.704 -10.936 -35.365 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.571 -11.163 -37.701 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.419 -9.650 -37.447 1.00 44.32 H new ATOM 0 HG LEU A 60 8.502 -11.448 -37.652 1.00 11.04 H new ATOM 0 HD11 LEU A 60 8.029 -12.791 -39.662 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.985 -13.255 -38.297 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.333 -12.254 -39.617 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.829 -10.467 -39.890 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.163 -9.840 -39.853 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.367 -9.235 -38.691 1.00 71.44 H new ATOM 971 N ASN A 61 6.137 -13.385 -35.376 1.00 14.22 N ATOM 972 CA ASN A 61 6.417 -14.805 -35.194 1.00 33.24 C ATOM 973 C ASN A 61 7.175 -15.368 -36.393 1.00 54.15 C ATOM 974 O ASN A 61 6.941 -14.965 -37.533 1.00 1.23 O ATOM 975 CB ASN A 61 5.114 -15.581 -34.990 1.00 52.35 C ATOM 976 CG ASN A 61 4.374 -15.819 -36.292 1.00 2.34 C ATOM 977 OD1 ASN A 61 3.905 -16.925 -36.560 1.00 42.20 O ATOM 978 ND2 ASN A 61 4.263 -14.778 -37.109 1.00 71.33 N ATOM 0 H ASN A 61 5.161 -13.125 -35.231 1.00 14.22 H new ATOM 0 HA ASN A 61 7.041 -14.916 -34.307 1.00 33.24 H new ATOM 0 HB2 ASN A 61 5.335 -16.539 -34.520 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.470 -15.031 -34.304 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.774 -14.878 -37.998 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.667 -13.879 -36.847 1.00 71.33 H new ATOM 985 N ARG A 62 8.083 -16.302 -36.127 1.00 14.43 N ATOM 986 CA ARG A 62 8.875 -16.920 -37.184 1.00 62.32 C ATOM 987 C ARG A 62 8.569 -18.410 -37.291 1.00 71.20 C ATOM 988 O ARG A 62 8.341 -18.930 -38.383 1.00 73.11 O ATOM 989 CB ARG A 62 10.367 -16.712 -36.919 1.00 1.22 C ATOM 990 CG ARG A 62 10.769 -15.250 -36.815 1.00 71.45 C ATOM 991 CD ARG A 62 10.666 -14.743 -35.385 1.00 72.42 C ATOM 992 NE ARG A 62 11.949 -14.805 -34.689 1.00 15.00 N ATOM 993 CZ ARG A 62 12.304 -15.802 -33.888 1.00 45.11 C ATOM 994 NH1 ARG A 62 11.478 -16.819 -33.684 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.488 -15.787 -33.291 1.00 4.03 N ATOM 0 H ARG A 62 8.288 -16.647 -35.189 1.00 14.43 H new ATOM 0 HA ARG A 62 8.611 -16.444 -38.128 1.00 62.32 H new ATOM 0 HB2 ARG A 62 10.637 -17.221 -35.994 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.938 -17.181 -37.720 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.791 -15.126 -37.173 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.130 -14.649 -37.462 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.306 -13.714 -35.390 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.930 -15.336 -34.842 1.00 72.42 H new ATOM 0 HE ARG A 62 12.609 -14.039 -34.826 1.00 15.00 H new ATOM 0 HH11 ARG A 62 10.567 -16.836 -34.143 1.00 32.15 H new ATOM 0 HH12 ARG A 62 11.753 -17.584 -33.068 1.00 32.15 H new ATOM 0 HH21 ARG A 62 14.128 -15.008 -33.447 1.00 4.03 H new ATOM 0 HH22 ARG A 62 13.759 -16.554 -32.676 1.00 4.03 H new ATOM 1009 N ALA A 63 8.566 -19.092 -36.151 1.00 13.41 N ATOM 1010 CA ALA A 63 8.288 -20.523 -36.117 1.00 11.25 C ATOM 1011 C ALA A 63 6.835 -20.790 -35.739 1.00 40.23 C ATOM 1012 O ALA A 63 6.509 -21.841 -35.190 1.00 15.22 O ATOM 1013 CB ALA A 63 9.226 -21.221 -35.143 1.00 4.01 C ATOM 0 H ALA A 63 8.753 -18.677 -35.238 1.00 13.41 H new ATOM 0 HA ALA A 63 8.456 -20.925 -37.116 1.00 11.25 H new ATOM 0 HB1 ALA A 63 9.007 -22.289 -35.128 1.00 4.01 H new ATOM 0 HB2 ALA A 63 10.258 -21.067 -35.458 1.00 4.01 H new ATOM 0 HB3 ALA A 63 9.086 -20.808 -34.144 1.00 4.01 H new ATOM 1019 N GLY A 64 5.965 -19.830 -36.037 1.00 15.42 N ATOM 1020 CA GLY A 64 4.556 -19.981 -35.720 1.00 64.14 C ATOM 1021 C GLY A 64 3.698 -20.140 -36.959 1.00 10.02 C ATOM 1022 O GLY A 64 4.054 -19.662 -38.037 1.00 62.15 O ATOM 0 H GLY A 64 6.210 -18.951 -36.492 1.00 15.42 H new ATOM 0 HA2 GLY A 64 4.423 -20.850 -35.075 1.00 64.14 H new ATOM 0 HA3 GLY A 64 4.218 -19.111 -35.157 1.00 64.14 H new ATOM 1026 N THR A 65 2.561 -20.813 -36.808 1.00 32.42 N ATOM 1027 CA THR A 65 1.650 -21.037 -37.923 1.00 14.14 C ATOM 1028 C THR A 65 1.315 -19.728 -38.629 1.00 2.22 C ATOM 1029 O THR A 65 1.095 -19.701 -39.840 1.00 74.54 O ATOM 1030 CB THR A 65 0.343 -21.705 -37.456 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.585 -21.778 -38.543 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.278 -20.931 -36.303 1.00 24.43 C ATOM 0 H THR A 65 2.249 -21.213 -35.923 1.00 32.42 H new ATOM 0 HA THR A 65 2.160 -21.703 -38.619 1.00 14.14 H new ATOM 0 HB THR A 65 0.578 -22.712 -37.112 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.413 -22.205 -38.238 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.200 -21.421 -35.990 1.00 24.43 H new ATOM 0 HG22 THR A 65 0.420 -20.902 -35.466 1.00 24.43 H new ATOM 0 HG23 THR A 65 -0.500 -19.914 -36.625 1.00 24.43 H new ATOM 1040 N THR A 66 1.277 -18.640 -37.864 1.00 75.01 N ATOM 1041 CA THR A 66 0.968 -17.328 -38.416 1.00 24.34 C ATOM 1042 C THR A 66 1.875 -17.000 -39.597 1.00 70.12 C ATOM 1043 O THR A 66 1.403 -16.627 -40.671 1.00 31.44 O ATOM 1044 CB THR A 66 1.110 -16.224 -37.352 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.229 -16.809 -36.051 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.087 -15.285 -37.384 1.00 2.54 C ATOM 0 H THR A 66 1.457 -18.643 -36.860 1.00 75.01 H new ATOM 0 HA THR A 66 -0.067 -17.364 -38.756 1.00 24.34 H new ATOM 0 HB THR A 66 2.009 -15.649 -37.574 1.00 53.23 H new ATOM 0 HG1 THR A 66 2.170 -17.010 -35.868 1.00 11.42 H new ATOM 0 HG21 THR A 66 0.035 -14.513 -36.624 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.157 -14.818 -38.367 1.00 2.54 H new ATOM 0 HG23 THR A 66 -0.998 -15.850 -37.184 1.00 2.54 H new ATOM 1054 N PHE A 67 3.181 -17.144 -39.392 1.00 31.33 N ATOM 1055 CA PHE A 67 4.154 -16.863 -40.440 1.00 51.22 C ATOM 1056 C PHE A 67 4.121 -17.943 -41.516 1.00 2.20 C ATOM 1057 O PHE A 67 4.317 -17.661 -42.699 1.00 62.22 O ATOM 1058 CB PHE A 67 5.561 -16.763 -39.845 1.00 14.00 C ATOM 1059 CG PHE A 67 6.634 -16.563 -40.875 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.224 -17.649 -41.501 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.054 -15.287 -41.219 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.213 -17.467 -42.449 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.042 -15.099 -42.168 1.00 33.54 C ATOM 1064 CZ PHE A 67 8.622 -16.191 -42.784 1.00 75.02 C ATOM 0 H PHE A 67 3.589 -17.454 -38.510 1.00 31.33 H new ATOM 0 HA PHE A 67 3.892 -15.910 -40.899 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.589 -15.935 -39.137 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.774 -17.672 -39.282 1.00 14.00 H new ATOM 0 HD1 PHE A 67 6.907 -18.649 -41.245 1.00 12.13 H new ATOM 0 HD2 PHE A 67 6.604 -14.430 -40.740 1.00 15.52 H new ATOM 0 HE1 PHE A 67 8.666 -18.322 -42.928 1.00 72.43 H new ATOM 0 HE2 PHE A 67 8.360 -14.100 -42.427 1.00 33.54 H new ATOM 0 HZ PHE A 67 9.394 -16.047 -43.526 1.00 75.02 H new ATOM 1074 N ARG A 68 3.872 -19.179 -41.099 1.00 35.20 N ATOM 1075 CA ARG A 68 3.814 -20.302 -42.027 1.00 13.24 C ATOM 1076 C ARG A 68 2.616 -20.174 -42.962 1.00 42.44 C ATOM 1077 O ARG A 68 2.533 -20.860 -43.981 1.00 51.04 O ATOM 1078 CB ARG A 68 3.736 -21.623 -41.258 1.00 65.20 C ATOM 1079 CG ARG A 68 5.095 -22.208 -40.912 1.00 50.00 C ATOM 1080 CD ARG A 68 4.971 -23.364 -39.932 1.00 44.21 C ATOM 1081 NE ARG A 68 6.274 -23.827 -39.463 1.00 1.04 N ATOM 1082 CZ ARG A 68 6.481 -25.027 -38.933 1.00 43.45 C ATOM 1083 NH1 ARG A 68 5.474 -25.882 -38.806 1.00 73.52 N ATOM 1084 NH2 ARG A 68 7.696 -25.375 -38.530 1.00 33.20 N ATOM 0 H ARG A 68 3.707 -19.429 -40.124 1.00 35.20 H new ATOM 0 HA ARG A 68 4.724 -20.292 -42.627 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.173 -21.465 -40.338 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.179 -22.347 -41.852 1.00 65.20 H new ATOM 0 HG2 ARG A 68 5.586 -22.552 -41.822 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.728 -21.432 -40.482 1.00 50.00 H new ATOM 0 HD2 ARG A 68 4.368 -23.053 -39.079 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.444 -24.189 -40.410 1.00 44.21 H new ATOM 0 HE ARG A 68 7.069 -23.194 -39.547 1.00 1.04 H new ATOM 0 HH11 ARG A 68 4.539 -25.618 -39.116 1.00 73.52 H new ATOM 0 HH12 ARG A 68 5.635 -26.803 -38.399 1.00 73.52 H new ATOM 0 HH21 ARG A 68 8.472 -24.721 -38.627 1.00 33.20 H new ATOM 0 HH22 ARG A 68 7.854 -26.297 -38.123 1.00 33.20 H new ATOM 1098 N LYS A 69 1.689 -19.290 -42.610 1.00 73.43 N ATOM 1099 CA LYS A 69 0.495 -19.069 -43.417 1.00 73.42 C ATOM 1100 C LYS A 69 0.865 -18.584 -44.815 1.00 41.12 C ATOM 1101 O LYS A 69 0.109 -18.772 -45.769 1.00 52.53 O ATOM 1102 CB LYS A 69 -0.425 -18.052 -42.738 1.00 31.13 C ATOM 1103 CG LYS A 69 -1.844 -18.060 -43.276 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.709 -19.077 -42.551 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.206 -18.537 -41.219 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.458 -17.747 -41.373 1.00 71.33 N ATOM 0 H LYS A 69 1.742 -18.714 -41.770 1.00 73.43 H new ATOM 0 HA LYS A 69 -0.031 -20.019 -43.509 1.00 73.42 H new ATOM 0 HB2 LYS A 69 -0.450 -18.256 -41.668 1.00 31.13 H new ATOM 0 HB3 LYS A 69 -0.004 -17.054 -42.863 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -2.281 -17.067 -43.168 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.829 -18.288 -44.342 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -3.560 -19.344 -43.177 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.137 -19.990 -42.384 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -3.382 -19.366 -40.534 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -2.435 -17.911 -40.770 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -4.764 -17.397 -40.443 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -4.284 -16.941 -42.007 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -5.202 -18.351 -41.777 1.00 71.33 H new ATOM 1120 N LEU A 70 2.032 -17.959 -44.929 1.00 1.50 N ATOM 1121 CA LEU A 70 2.503 -17.446 -46.211 1.00 30.25 C ATOM 1122 C LEU A 70 3.140 -18.557 -47.040 1.00 52.51 C ATOM 1123 O LEU A 70 3.575 -19.584 -46.518 1.00 53.44 O ATOM 1124 CB LEU A 70 3.510 -16.316 -45.992 1.00 30.13 C ATOM 1125 CG LEU A 70 2.920 -14.916 -45.816 1.00 75.04 C ATOM 1126 CD1 LEU A 70 1.812 -14.932 -44.774 1.00 23.34 C ATOM 1127 CD2 LEU A 70 4.007 -13.925 -45.426 1.00 52.00 C ATOM 0 H LEU A 70 2.669 -17.795 -44.150 1.00 1.50 H new ATOM 0 HA LEU A 70 1.644 -17.057 -46.757 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.104 -16.552 -45.109 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.194 -16.296 -46.840 1.00 30.13 H new ATOM 0 HG LEU A 70 2.492 -14.600 -46.767 1.00 75.04 H new ATOM 0 HD11 LEU A 70 1.404 -13.928 -44.662 1.00 23.34 H new ATOM 0 HD12 LEU A 70 1.022 -15.611 -45.094 1.00 23.34 H new ATOM 0 HD13 LEU A 70 2.216 -15.268 -43.819 1.00 23.34 H new ATOM 0 HD21 LEU A 70 3.569 -12.934 -45.305 1.00 52.00 H new ATOM 0 HD22 LEU A 70 4.464 -14.237 -44.487 1.00 52.00 H new ATOM 0 HD23 LEU A 70 4.767 -13.893 -46.206 1.00 52.00 H new ATOM 1139 N PRO A 71 3.199 -18.348 -48.364 1.00 40.12 N ATOM 1140 CA PRO A 71 3.785 -19.319 -49.293 1.00 21.41 C ATOM 1141 C PRO A 71 5.298 -19.426 -49.143 1.00 4.43 C ATOM 1142 O PRO A 71 5.906 -18.695 -48.362 1.00 61.04 O ATOM 1143 CB PRO A 71 3.421 -18.756 -50.669 1.00 10.33 C ATOM 1144 CG PRO A 71 3.250 -17.293 -50.447 1.00 64.15 C ATOM 1145 CD PRO A 71 2.701 -17.147 -49.055 1.00 72.42 C ATOM 0 HA PRO A 71 3.412 -20.328 -49.118 1.00 21.41 H new ATOM 0 HB2 PRO A 71 4.205 -18.957 -51.399 1.00 10.33 H new ATOM 0 HB3 PRO A 71 2.506 -19.208 -51.052 1.00 10.33 H new ATOM 0 HG2 PRO A 71 4.200 -16.769 -50.549 1.00 64.15 H new ATOM 0 HG3 PRO A 71 2.569 -16.864 -51.182 1.00 64.15 H new ATOM 0 HD2 PRO A 71 3.054 -16.233 -48.577 1.00 72.42 H new ATOM 0 HD3 PRO A 71 1.612 -17.106 -49.055 1.00 72.42 H new ATOM 1153 N GLU A 72 5.900 -20.341 -49.897 1.00 64.42 N ATOM 1154 CA GLU A 72 7.344 -20.542 -49.846 1.00 2.33 C ATOM 1155 C GLU A 72 8.081 -19.342 -50.433 1.00 32.21 C ATOM 1156 O GLU A 72 9.131 -18.940 -49.932 1.00 64.11 O ATOM 1157 CB GLU A 72 7.730 -21.814 -50.605 1.00 3.30 C ATOM 1158 CG GLU A 72 7.268 -21.823 -52.052 1.00 14.02 C ATOM 1159 CD GLU A 72 6.918 -23.215 -52.543 1.00 23.34 C ATOM 1160 OE1 GLU A 72 7.728 -24.141 -52.326 1.00 2.14 O ATOM 1161 OE2 GLU A 72 5.837 -23.378 -53.145 1.00 4.25 O ATOM 0 H GLU A 72 5.411 -20.954 -50.549 1.00 64.42 H new ATOM 0 HA GLU A 72 7.635 -20.649 -48.801 1.00 2.33 H new ATOM 0 HB2 GLU A 72 8.814 -21.929 -50.578 1.00 3.30 H new ATOM 0 HB3 GLU A 72 7.305 -22.676 -50.091 1.00 3.30 H new ATOM 0 HG2 GLU A 72 6.397 -21.175 -52.156 1.00 14.02 H new ATOM 0 HG3 GLU A 72 8.053 -21.406 -52.683 1.00 14.02 H new ATOM 1168 N ASP A 73 7.524 -18.776 -51.498 1.00 54.44 N ATOM 1169 CA ASP A 73 8.127 -17.621 -52.154 1.00 22.54 C ATOM 1170 C ASP A 73 8.125 -16.408 -51.229 1.00 73.43 C ATOM 1171 O ASP A 73 9.158 -15.771 -51.021 1.00 20.35 O ATOM 1172 CB ASP A 73 7.379 -17.294 -53.447 1.00 11.40 C ATOM 1173 CG ASP A 73 7.753 -18.223 -54.585 1.00 35.22 C ATOM 1174 OD1 ASP A 73 8.305 -19.309 -54.306 1.00 60.34 O ATOM 1175 OD2 ASP A 73 7.495 -17.865 -55.753 1.00 64.21 O ATOM 0 H ASP A 73 6.656 -19.098 -51.926 1.00 54.44 H new ATOM 0 HA ASP A 73 9.161 -17.869 -52.395 1.00 22.54 H new ATOM 0 HB2 ASP A 73 6.306 -17.358 -53.268 1.00 11.40 H new ATOM 0 HB3 ASP A 73 7.593 -16.265 -53.737 1.00 11.40 H new ATOM 1180 N VAL A 74 6.959 -16.094 -50.676 1.00 22.21 N ATOM 1181 CA VAL A 74 6.822 -14.957 -49.773 1.00 51.24 C ATOM 1182 C VAL A 74 7.584 -15.192 -48.474 1.00 71.30 C ATOM 1183 O VAL A 74 8.073 -14.251 -47.850 1.00 64.14 O ATOM 1184 CB VAL A 74 5.344 -14.676 -49.445 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.230 -13.618 -48.357 1.00 2.42 C ATOM 1186 CG2 VAL A 74 4.592 -14.248 -50.696 1.00 20.32 C ATOM 0 H VAL A 74 6.095 -16.611 -50.837 1.00 22.21 H new ATOM 0 HA VAL A 74 7.243 -14.093 -50.286 1.00 51.24 H new ATOM 0 HB VAL A 74 4.892 -15.596 -49.074 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.178 -13.433 -48.139 1.00 2.42 H new ATOM 0 HG12 VAL A 74 5.732 -13.968 -47.455 1.00 2.42 H new ATOM 0 HG13 VAL A 74 5.698 -12.694 -48.697 1.00 2.42 H new ATOM 0 HG21 VAL A 74 3.549 -14.054 -50.445 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.043 -13.341 -51.099 1.00 20.32 H new ATOM 0 HG23 VAL A 74 4.644 -15.042 -51.441 1.00 20.32 H new ATOM 1196 N ARG A 75 7.682 -16.456 -48.073 1.00 32.22 N ATOM 1197 CA ARG A 75 8.384 -16.816 -46.847 1.00 2.22 C ATOM 1198 C ARG A 75 9.888 -16.609 -47.001 1.00 43.01 C ATOM 1199 O ARG A 75 10.598 -16.384 -46.021 1.00 52.32 O ATOM 1200 CB ARG A 75 8.095 -18.271 -46.476 1.00 70.20 C ATOM 1201 CG ARG A 75 6.842 -18.447 -45.634 1.00 33.21 C ATOM 1202 CD ARG A 75 6.563 -19.914 -45.350 1.00 64.25 C ATOM 1203 NE ARG A 75 7.725 -20.594 -44.784 1.00 60.01 N ATOM 1204 CZ ARG A 75 7.769 -21.899 -44.546 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.721 -22.663 -44.822 1.00 43.22 N ATOM 1206 NH2 ARG A 75 8.864 -22.444 -44.029 1.00 22.23 N ATOM 0 H ARG A 75 7.284 -17.247 -48.579 1.00 32.22 H new ATOM 0 HA ARG A 75 8.024 -16.167 -46.049 1.00 2.22 H new ATOM 0 HB2 ARG A 75 7.994 -18.857 -47.390 1.00 70.20 H new ATOM 0 HB3 ARG A 75 8.948 -18.675 -45.931 1.00 70.20 H new ATOM 0 HG2 ARG A 75 6.956 -17.909 -44.693 1.00 33.21 H new ATOM 0 HG3 ARG A 75 5.990 -18.007 -46.152 1.00 33.21 H new ATOM 0 HD2 ARG A 75 5.724 -19.996 -44.660 1.00 64.25 H new ATOM 0 HD3 ARG A 75 6.266 -20.412 -46.273 1.00 64.25 H new ATOM 0 HE ARG A 75 8.548 -20.035 -44.559 1.00 60.01 H new ATOM 0 HH11 ARG A 75 5.878 -22.248 -45.218 1.00 43.22 H new ATOM 0 HH12 ARG A 75 6.758 -23.666 -44.638 1.00 43.22 H new ATOM 0 HH21 ARG A 75 9.672 -21.860 -43.814 1.00 22.23 H new ATOM 0 HH22 ARG A 75 8.897 -23.447 -43.846 1.00 22.23 H new ATOM 1220 N SER A 76 10.368 -16.686 -48.239 1.00 13.42 N ATOM 1221 CA SER A 76 11.787 -16.512 -48.521 1.00 72.25 C ATOM 1222 C SER A 76 12.075 -15.094 -49.006 1.00 24.11 C ATOM 1223 O SER A 76 13.199 -14.608 -48.902 1.00 72.30 O ATOM 1224 CB SER A 76 12.248 -17.525 -49.571 1.00 52.34 C ATOM 1225 OG SER A 76 13.375 -17.045 -50.283 1.00 11.12 O ATOM 0 H SER A 76 9.794 -16.868 -49.062 1.00 13.42 H new ATOM 0 HA SER A 76 12.339 -16.681 -47.596 1.00 72.25 H new ATOM 0 HB2 SER A 76 12.496 -18.469 -49.086 1.00 52.34 H new ATOM 0 HB3 SER A 76 11.434 -17.728 -50.267 1.00 52.34 H new ATOM 0 HG SER A 76 13.651 -17.711 -50.947 1.00 11.12 H new ATOM 1231 N ASN A 77 11.048 -14.437 -49.536 1.00 61.11 N ATOM 1232 CA ASN A 77 11.188 -13.074 -50.037 1.00 63.22 C ATOM 1233 C ASN A 77 10.814 -12.058 -48.963 1.00 4.51 C ATOM 1234 O ASN A 77 10.137 -11.068 -49.240 1.00 30.21 O ATOM 1235 CB ASN A 77 10.313 -12.872 -51.275 1.00 34.15 C ATOM 1236 CG ASN A 77 10.920 -13.488 -52.521 1.00 2.31 C ATOM 1237 OD1 ASN A 77 11.051 -12.829 -53.552 1.00 62.33 O ATOM 1238 ND2 ASN A 77 11.295 -14.759 -52.429 1.00 63.33 N ATOM 0 H ASN A 77 10.110 -14.826 -49.630 1.00 61.11 H new ATOM 0 HA ASN A 77 12.232 -12.919 -50.309 1.00 63.22 H new ATOM 0 HB2 ASN A 77 9.331 -13.311 -51.098 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.160 -11.805 -51.438 1.00 34.15 H new ATOM 0 HD21 ASN A 77 11.711 -15.228 -53.234 1.00 63.33 H new ATOM 0 HD22 ASN A 77 11.167 -15.266 -51.553 1.00 63.33 H new ATOM 1245 N VAL A 78 11.261 -12.309 -47.737 1.00 54.35 N ATOM 1246 CA VAL A 78 10.974 -11.415 -46.621 1.00 25.14 C ATOM 1247 C VAL A 78 12.083 -10.384 -46.445 1.00 53.34 C ATOM 1248 O VAL A 78 13.265 -10.725 -46.416 1.00 13.31 O ATOM 1249 CB VAL A 78 10.803 -12.198 -45.305 1.00 24.53 C ATOM 1250 CG1 VAL A 78 12.087 -12.929 -44.947 1.00 61.22 C ATOM 1251 CG2 VAL A 78 10.381 -11.263 -44.182 1.00 61.01 C ATOM 0 H VAL A 78 11.823 -13.124 -47.491 1.00 54.35 H new ATOM 0 HA VAL A 78 10.040 -10.904 -46.856 1.00 25.14 H new ATOM 0 HB VAL A 78 10.018 -12.941 -45.444 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.946 -13.476 -44.015 1.00 61.22 H new ATOM 0 HG12 VAL A 78 12.342 -13.628 -45.743 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.895 -12.207 -44.826 1.00 61.22 H new ATOM 0 HG21 VAL A 78 10.265 -11.832 -43.259 1.00 61.01 H new ATOM 0 HG22 VAL A 78 11.143 -10.496 -44.042 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.433 -10.790 -44.439 1.00 61.01 H new ATOM 1261 N ASP A 79 11.693 -9.119 -46.327 1.00 75.02 N ATOM 1262 CA ASP A 79 12.654 -8.036 -46.152 1.00 32.13 C ATOM 1263 C ASP A 79 12.107 -6.974 -45.204 1.00 22.35 C ATOM 1264 O ASP A 79 11.061 -7.159 -44.583 1.00 11.20 O ATOM 1265 CB ASP A 79 12.994 -7.404 -47.502 1.00 14.11 C ATOM 1266 CG ASP A 79 13.170 -8.439 -48.597 1.00 70.21 C ATOM 1267 OD1 ASP A 79 14.263 -9.036 -48.679 1.00 63.45 O ATOM 1268 OD2 ASP A 79 12.214 -8.650 -49.373 1.00 12.03 O ATOM 0 H ASP A 79 10.718 -8.819 -46.349 1.00 75.02 H new ATOM 0 HA ASP A 79 13.561 -8.455 -45.717 1.00 32.13 H new ATOM 0 HB2 ASP A 79 12.202 -6.710 -47.785 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.910 -6.821 -47.407 1.00 14.11 H new ATOM 1273 N ALA A 80 12.824 -5.859 -45.096 1.00 44.44 N ATOM 1274 CA ALA A 80 12.411 -4.766 -44.224 1.00 1.03 C ATOM 1275 C ALA A 80 11.103 -4.146 -44.703 1.00 60.14 C ATOM 1276 O ALA A 80 10.110 -4.127 -43.975 1.00 3.35 O ATOM 1277 CB ALA A 80 13.503 -3.709 -44.148 1.00 43.13 C ATOM 0 H ALA A 80 13.693 -5.689 -45.602 1.00 44.44 H new ATOM 0 HA ALA A 80 12.246 -5.173 -43.226 1.00 1.03 H new ATOM 0 HB1 ALA A 80 13.181 -2.899 -43.494 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.415 -4.156 -43.751 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.697 -3.314 -45.145 1.00 43.13 H new ATOM 1283 N ALA A 81 11.110 -3.637 -45.931 1.00 21.32 N ATOM 1284 CA ALA A 81 9.923 -3.017 -46.507 1.00 55.31 C ATOM 1285 C ALA A 81 8.726 -3.959 -46.444 1.00 31.04 C ATOM 1286 O ALA A 81 7.675 -3.608 -45.907 1.00 33.41 O ATOM 1287 CB ALA A 81 10.193 -2.599 -47.945 1.00 13.35 C ATOM 0 H ALA A 81 11.924 -3.642 -46.546 1.00 21.32 H new ATOM 0 HA ALA A 81 9.685 -2.130 -45.920 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.299 -2.137 -48.364 1.00 13.35 H new ATOM 0 HB2 ALA A 81 11.015 -1.884 -47.968 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.459 -3.476 -48.535 1.00 13.35 H new ATOM 1293 N SER A 82 8.890 -5.157 -46.996 1.00 54.12 N ATOM 1294 CA SER A 82 7.821 -6.147 -47.007 1.00 14.13 C ATOM 1295 C SER A 82 7.298 -6.396 -45.595 1.00 30.51 C ATOM 1296 O SER A 82 6.092 -6.353 -45.351 1.00 1.33 O ATOM 1297 CB SER A 82 8.317 -7.459 -47.617 1.00 73.02 C ATOM 1298 OG SER A 82 9.351 -7.225 -48.559 1.00 11.21 O ATOM 0 H SER A 82 9.754 -5.465 -47.442 1.00 54.12 H new ATOM 0 HA SER A 82 7.005 -5.758 -47.616 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.682 -8.116 -46.827 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.488 -7.974 -48.102 1.00 73.02 H new ATOM 0 HG SER A 82 9.652 -8.079 -48.933 1.00 11.21 H new ATOM 1304 N ALA A 83 8.214 -6.657 -44.669 1.00 34.11 N ATOM 1305 CA ALA A 83 7.848 -6.912 -43.281 1.00 62.10 C ATOM 1306 C ALA A 83 6.982 -5.785 -42.727 1.00 53.55 C ATOM 1307 O ALA A 83 5.945 -6.030 -42.111 1.00 1.10 O ATOM 1308 CB ALA A 83 9.095 -7.090 -42.430 1.00 14.31 C ATOM 0 H ALA A 83 9.216 -6.698 -44.855 1.00 34.11 H new ATOM 0 HA ALA A 83 7.266 -7.833 -43.247 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.806 -7.280 -41.396 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.674 -7.934 -42.805 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.700 -6.185 -42.477 1.00 14.31 H new ATOM 1314 N ARG A 84 7.416 -4.548 -42.949 1.00 14.24 N ATOM 1315 CA ARG A 84 6.683 -3.383 -42.470 1.00 42.23 C ATOM 1316 C ARG A 84 5.271 -3.355 -43.048 1.00 55.53 C ATOM 1317 O ARG A 84 4.301 -3.109 -42.331 1.00 43.13 O ATOM 1318 CB ARG A 84 7.424 -2.098 -42.842 1.00 72.41 C ATOM 1319 CG ARG A 84 8.410 -1.635 -41.781 1.00 43.35 C ATOM 1320 CD ARG A 84 9.521 -0.790 -42.385 1.00 30.14 C ATOM 1321 NE ARG A 84 9.483 0.589 -41.905 1.00 24.42 N ATOM 1322 CZ ARG A 84 8.659 1.512 -42.388 1.00 23.24 C ATOM 1323 NH1 ARG A 84 7.810 1.205 -43.360 1.00 30.24 N ATOM 1324 NH2 ARG A 84 8.683 2.745 -41.900 1.00 14.35 N ATOM 0 H ARG A 84 8.272 -4.327 -43.458 1.00 14.24 H new ATOM 0 HA ARG A 84 6.612 -3.451 -41.384 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.958 -2.255 -43.779 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.696 -1.307 -43.019 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.884 -1.057 -41.021 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.842 -2.502 -41.281 1.00 43.35 H new ATOM 0 HD2 ARG A 84 10.487 -1.232 -42.140 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.433 -0.798 -43.471 1.00 30.14 H new ATOM 0 HE ARG A 84 10.124 0.858 -41.158 1.00 24.42 H new ATOM 0 HH11 ARG A 84 7.789 0.258 -43.738 1.00 30.24 H new ATOM 0 HH12 ARG A 84 7.178 1.916 -43.729 1.00 30.24 H new ATOM 0 HH21 ARG A 84 9.335 2.985 -41.153 1.00 14.35 H new ATOM 0 HH22 ARG A 84 8.050 3.453 -42.272 1.00 14.35 H new ATOM 1338 N GLU A 85 5.165 -3.605 -44.350 1.00 51.11 N ATOM 1339 CA GLU A 85 3.871 -3.607 -45.023 1.00 55.12 C ATOM 1340 C GLU A 85 2.975 -4.715 -44.479 1.00 1.33 C ATOM 1341 O GLU A 85 1.809 -4.484 -44.157 1.00 32.23 O ATOM 1342 CB GLU A 85 4.058 -3.781 -46.532 1.00 75.34 C ATOM 1343 CG GLU A 85 5.014 -2.772 -47.148 1.00 45.21 C ATOM 1344 CD GLU A 85 4.432 -2.088 -48.370 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.766 -1.045 -48.204 1.00 42.31 O ATOM 1346 OE2 GLU A 85 4.643 -2.596 -49.491 1.00 3.32 O ATOM 0 H GLU A 85 5.958 -3.808 -44.958 1.00 51.11 H new ATOM 0 HA GLU A 85 3.389 -2.648 -44.831 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.428 -4.787 -46.730 1.00 75.34 H new ATOM 0 HB3 GLU A 85 3.088 -3.696 -47.022 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.272 -2.019 -46.403 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.940 -3.276 -47.425 1.00 45.21 H new ATOM 1353 N LEU A 86 3.528 -5.919 -44.379 1.00 22.40 N ATOM 1354 CA LEU A 86 2.780 -7.064 -43.874 1.00 21.33 C ATOM 1355 C LEU A 86 2.193 -6.768 -42.498 1.00 20.32 C ATOM 1356 O LEU A 86 0.990 -6.915 -42.280 1.00 2.34 O ATOM 1357 CB LEU A 86 3.682 -8.297 -43.803 1.00 74.11 C ATOM 1358 CG LEU A 86 4.142 -8.871 -45.143 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.462 -9.609 -44.983 1.00 65.15 C ATOM 1360 CD2 LEU A 86 3.080 -9.794 -45.721 1.00 0.22 C ATOM 0 H LEU A 86 4.492 -6.127 -44.641 1.00 22.40 H new ATOM 0 HA LEU A 86 1.959 -7.262 -44.563 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.565 -8.043 -43.217 1.00 74.11 H new ATOM 0 HB3 LEU A 86 3.152 -9.079 -43.258 1.00 74.11 H new ATOM 0 HG LEU A 86 4.293 -8.044 -45.837 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.774 -10.011 -45.947 1.00 65.15 H new ATOM 0 HD12 LEU A 86 6.222 -8.920 -44.614 1.00 65.15 H new ATOM 0 HD13 LEU A 86 5.338 -10.426 -44.272 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.425 -10.193 -46.675 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.896 -10.616 -45.029 1.00 0.22 H new ATOM 0 HD23 LEU A 86 2.157 -9.235 -45.874 1.00 0.22 H new ATOM 1372 N MET A 87 3.051 -6.350 -41.573 1.00 55.22 N ATOM 1373 CA MET A 87 2.616 -6.029 -40.218 1.00 3.41 C ATOM 1374 C MET A 87 1.665 -4.837 -40.219 1.00 3.31 C ATOM 1375 O MET A 87 0.756 -4.753 -39.393 1.00 33.02 O ATOM 1376 CB MET A 87 3.825 -5.731 -39.329 1.00 13.51 C ATOM 1377 CG MET A 87 4.826 -6.873 -39.262 1.00 72.40 C ATOM 1378 SD MET A 87 4.149 -8.344 -38.469 1.00 23.01 S ATOM 1379 CE MET A 87 3.373 -9.155 -39.866 1.00 34.44 C ATOM 0 H MET A 87 4.050 -6.226 -41.736 1.00 55.22 H new ATOM 0 HA MET A 87 2.085 -6.894 -39.820 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.328 -4.839 -39.701 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.477 -5.504 -38.321 1.00 13.51 H new ATOM 0 HG2 MET A 87 5.151 -7.126 -40.271 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.710 -6.545 -38.715 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.601 -10.221 -39.841 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.293 -9.014 -39.815 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.752 -8.724 -40.793 1.00 34.44 H new ATOM 1389 N LEU A 88 1.880 -3.915 -41.152 1.00 0.04 N ATOM 1390 CA LEU A 88 1.042 -2.726 -41.261 1.00 32.32 C ATOM 1391 C LEU A 88 -0.407 -3.106 -41.552 1.00 31.41 C ATOM 1392 O LEU A 88 -1.330 -2.607 -40.909 1.00 51.04 O ATOM 1393 CB LEU A 88 1.570 -1.804 -42.361 1.00 71.42 C ATOM 1394 CG LEU A 88 0.808 -0.494 -42.562 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.743 0.596 -43.065 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.349 -0.693 -43.529 1.00 33.15 C ATOM 0 H LEU A 88 2.628 -3.968 -41.844 1.00 0.04 H new ATOM 0 HA LEU A 88 1.076 -2.199 -40.307 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.610 -1.566 -42.139 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.563 -2.353 -43.302 1.00 71.42 H new ATOM 0 HG LEU A 88 0.402 -0.181 -41.600 1.00 15.31 H new ATOM 0 HD11 LEU A 88 1.183 1.521 -43.202 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.538 0.758 -42.337 1.00 0.02 H new ATOM 0 HD13 LEU A 88 2.179 0.291 -44.016 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.880 0.250 -43.660 1.00 33.15 H new ATOM 0 HD22 LEU A 88 0.035 -1.030 -44.492 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.033 -1.442 -43.129 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.596 -3.994 -42.522 1.00 5.24 N ATOM 1409 CA ALA A 89 -1.932 -4.443 -42.895 1.00 72.31 C ATOM 1410 C ALA A 89 -2.460 -5.475 -41.904 1.00 53.31 C ATOM 1411 O ALA A 89 -3.592 -5.373 -41.433 1.00 61.11 O ATOM 1412 CB ALA A 89 -1.920 -5.019 -44.303 1.00 53.34 C ATOM 0 H ALA A 89 0.158 -4.417 -43.063 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.599 -3.581 -42.872 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.924 -5.351 -44.569 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.592 -4.254 -45.006 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.235 -5.866 -44.344 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.633 -6.467 -41.593 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.019 -7.519 -40.658 1.00 12.45 C ATOM 1420 C GLN A 90 -1.049 -7.585 -39.483 1.00 41.24 C ATOM 1421 O GLN A 90 -0.209 -8.480 -39.390 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.069 -8.870 -41.370 1.00 3.41 C ATOM 1423 CG GLN A 90 -0.835 -9.164 -42.207 1.00 23.53 C ATOM 1424 CD GLN A 90 -0.950 -10.461 -42.984 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -0.640 -10.514 -44.175 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -1.398 -11.515 -42.312 1.00 33.14 N ATOM 0 H GLN A 90 -0.692 -6.565 -41.974 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.011 -7.283 -40.274 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.190 -9.658 -40.627 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -2.949 -8.900 -42.013 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -0.669 -8.342 -42.903 1.00 23.53 H new ATOM 0 HG3 GLN A 90 0.038 -9.212 -41.556 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -1.643 -11.425 -41.326 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.497 -12.415 -42.782 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.165 -6.616 -38.563 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.307 -6.542 -37.377 1.00 32.24 C ATOM 1437 C PRO A 91 -0.599 -7.659 -36.380 1.00 54.10 C ATOM 1438 O PRO A 91 0.133 -7.843 -35.408 1.00 35.34 O ATOM 1439 CB PRO A 91 -0.654 -5.180 -36.771 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.038 -4.897 -37.243 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.145 -5.517 -38.610 1.00 34.13 C ATOM 0 HA PRO A 91 0.747 -6.655 -37.630 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -0.605 -5.207 -35.682 1.00 71.34 H new ATOM 0 HB3 PRO A 91 0.043 -4.410 -37.103 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -2.777 -5.322 -36.563 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.224 -3.824 -37.286 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.152 -5.885 -38.807 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -1.908 -4.800 -39.396 1.00 34.13 H new ATOM 1449 N SER A 92 -1.674 -8.402 -36.629 1.00 20.51 N ATOM 1450 CA SER A 92 -2.065 -9.498 -35.750 1.00 11.34 C ATOM 1451 C SER A 92 -1.035 -10.624 -35.796 1.00 43.02 C ATOM 1452 O SER A 92 -1.070 -11.545 -34.980 1.00 60.53 O ATOM 1453 CB SER A 92 -3.441 -10.034 -36.150 1.00 1.20 C ATOM 1454 OG SER A 92 -3.569 -11.405 -35.819 1.00 33.02 O ATOM 0 H SER A 92 -2.289 -8.265 -37.431 1.00 20.51 H new ATOM 0 HA SER A 92 -2.114 -9.115 -34.731 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.219 -9.461 -35.646 1.00 1.20 H new ATOM 0 HB3 SER A 92 -3.590 -9.900 -37.221 1.00 1.20 H new ATOM 0 HG SER A 92 -4.457 -11.724 -36.083 1.00 33.02 H new ATOM 1460 N MET A 93 -0.120 -10.542 -36.757 1.00 64.00 N ATOM 1461 CA MET A 93 0.920 -11.552 -36.909 1.00 11.03 C ATOM 1462 C MET A 93 2.052 -11.321 -35.914 1.00 22.03 C ATOM 1463 O MET A 93 2.878 -12.204 -35.682 1.00 62.52 O ATOM 1464 CB MET A 93 1.469 -11.540 -38.337 1.00 21.24 C ATOM 1465 CG MET A 93 1.014 -12.724 -39.173 1.00 71.33 C ATOM 1466 SD MET A 93 1.384 -12.520 -40.926 1.00 63.23 S ATOM 1467 CE MET A 93 3.083 -13.086 -40.982 1.00 50.03 C ATOM 0 H MET A 93 -0.078 -9.787 -37.441 1.00 64.00 H new ATOM 0 HA MET A 93 0.476 -12.527 -36.707 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.159 -10.618 -38.829 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.558 -11.530 -38.299 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.498 -13.630 -38.807 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.060 -12.862 -39.046 1.00 71.33 H new ATOM 0 HE1 MET A 93 3.226 -13.722 -41.856 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.751 -12.227 -41.045 1.00 50.03 H new ATOM 0 HE3 MET A 93 3.307 -13.654 -40.079 1.00 50.03 H new ATOM 1477 N VAL A 94 2.087 -10.127 -35.329 1.00 52.44 N ATOM 1478 CA VAL A 94 3.118 -9.781 -34.359 1.00 10.35 C ATOM 1479 C VAL A 94 3.067 -10.706 -33.149 1.00 43.41 C ATOM 1480 O VAL A 94 2.001 -11.186 -32.764 1.00 40.44 O ATOM 1481 CB VAL A 94 2.973 -8.323 -33.884 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.960 -7.373 -35.071 1.00 75.05 C ATOM 1483 CG2 VAL A 94 1.714 -8.159 -33.045 1.00 35.21 C ATOM 0 H VAL A 94 1.413 -9.384 -35.511 1.00 52.44 H new ATOM 0 HA VAL A 94 4.078 -9.898 -34.861 1.00 10.35 H new ATOM 0 HB VAL A 94 3.832 -8.075 -33.261 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.857 -6.348 -34.715 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.892 -7.472 -35.627 1.00 75.05 H new ATOM 0 HG13 VAL A 94 2.121 -7.617 -35.723 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.627 -7.123 -32.718 1.00 35.21 H new ATOM 0 HG22 VAL A 94 0.842 -8.425 -33.642 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.770 -8.811 -32.174 1.00 35.21 H new ATOM 1493 N LYS A 95 4.228 -10.952 -32.550 1.00 21.24 N ATOM 1494 CA LYS A 95 4.318 -11.818 -31.380 1.00 1.24 C ATOM 1495 C LYS A 95 3.337 -11.376 -30.299 1.00 13.35 C ATOM 1496 O LYS A 95 2.740 -10.304 -30.390 1.00 52.22 O ATOM 1497 CB LYS A 95 5.743 -11.813 -30.824 1.00 62.41 C ATOM 1498 CG LYS A 95 6.720 -12.634 -31.649 1.00 12.43 C ATOM 1499 CD LYS A 95 6.826 -14.059 -31.131 1.00 23.31 C ATOM 1500 CE LYS A 95 8.096 -14.737 -31.621 1.00 33.13 C ATOM 1501 NZ LYS A 95 7.966 -16.221 -31.625 1.00 64.41 N ATOM 0 H LYS A 95 5.120 -10.563 -32.856 1.00 21.24 H new ATOM 0 HA LYS A 95 4.059 -12.831 -31.688 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.100 -10.784 -30.771 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.728 -12.198 -29.804 1.00 62.41 H new ATOM 0 HG2 LYS A 95 6.397 -12.647 -32.690 1.00 12.43 H new ATOM 0 HG3 LYS A 95 7.703 -12.163 -31.626 1.00 12.43 H new ATOM 0 HD2 LYS A 95 6.813 -14.053 -30.041 1.00 23.31 H new ATOM 0 HD3 LYS A 95 5.958 -14.631 -31.457 1.00 23.31 H new ATOM 0 HE2 LYS A 95 8.328 -14.390 -32.628 1.00 33.13 H new ATOM 0 HE3 LYS A 95 8.932 -14.447 -30.984 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 8.852 -16.646 -31.965 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 7.770 -16.555 -30.660 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 7.185 -16.499 -32.253 1.00 64.41 H new ATOM 1515 N ARG A 96 3.178 -12.208 -29.275 1.00 23.43 N ATOM 1516 CA ARG A 96 2.270 -11.903 -28.176 1.00 52.42 C ATOM 1517 C ARG A 96 2.318 -12.995 -27.111 1.00 73.24 C ATOM 1518 O ARG A 96 2.726 -14.128 -27.367 1.00 25.00 O ATOM 1519 CB ARG A 96 0.840 -11.746 -28.696 1.00 2.41 C ATOM 1520 CG ARG A 96 0.493 -12.704 -29.825 1.00 32.35 C ATOM 1521 CD ARG A 96 0.502 -14.149 -29.350 1.00 1.31 C ATOM 1522 NE ARG A 96 1.697 -14.863 -29.794 1.00 4.33 N ATOM 1523 CZ ARG A 96 1.858 -15.329 -31.028 1.00 22.53 C ATOM 1524 NH1 ARG A 96 0.906 -15.158 -31.934 1.00 21.10 N ATOM 1525 NH2 ARG A 96 2.973 -15.968 -31.356 1.00 31.42 N ATOM 0 H ARG A 96 3.666 -13.099 -29.184 1.00 23.43 H new ATOM 0 HA ARG A 96 2.590 -10.964 -27.724 1.00 52.42 H new ATOM 0 HB2 ARG A 96 0.144 -11.902 -27.872 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.699 -10.722 -29.043 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.491 -12.457 -30.224 1.00 32.35 H new ATOM 0 HG3 ARG A 96 1.207 -12.583 -30.639 1.00 32.35 H new ATOM 0 HD2 ARG A 96 0.448 -14.173 -28.262 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -0.385 -14.659 -29.724 1.00 1.31 H new ATOM 0 HE ARG A 96 2.448 -15.012 -29.120 1.00 4.33 H new ATOM 0 HH11 ARG A 96 0.047 -14.668 -31.685 1.00 21.10 H new ATOM 0 HH12 ARG A 96 1.032 -15.517 -32.880 1.00 21.10 H new ATOM 0 HH21 ARG A 96 3.707 -16.102 -30.661 1.00 31.42 H new ATOM 0 HH22 ARG A 96 3.096 -16.326 -32.303 1.00 31.42 H new ATOM 1539 N PRO A 97 1.893 -12.647 -25.888 1.00 5.45 N ATOM 1540 CA PRO A 97 1.406 -11.301 -25.571 1.00 55.21 C ATOM 1541 C PRO A 97 2.523 -10.262 -25.586 1.00 1.12 C ATOM 1542 O PRO A 97 3.671 -10.566 -25.263 1.00 11.34 O ATOM 1543 CB PRO A 97 0.835 -11.453 -24.160 1.00 63.23 C ATOM 1544 CG PRO A 97 1.573 -12.607 -23.574 1.00 53.40 C ATOM 1545 CD PRO A 97 1.855 -13.541 -24.718 1.00 14.11 C ATOM 0 HA PRO A 97 0.680 -10.947 -26.303 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.986 -10.547 -23.572 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.238 -11.641 -24.186 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.498 -12.279 -23.101 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.979 -13.100 -22.805 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.800 -14.067 -24.584 1.00 14.11 H new ATOM 0 HD3 PRO A 97 1.079 -14.300 -24.817 1.00 14.11 H new ATOM 1553 N VAL A 98 2.178 -9.035 -25.960 1.00 75.11 N ATOM 1554 CA VAL A 98 3.151 -7.950 -26.014 1.00 22.51 C ATOM 1555 C VAL A 98 2.883 -6.916 -24.927 1.00 20.24 C ATOM 1556 O VAL A 98 1.759 -6.437 -24.774 1.00 74.34 O ATOM 1557 CB VAL A 98 3.138 -7.252 -27.387 1.00 62.21 C ATOM 1558 CG1 VAL A 98 4.121 -6.091 -27.406 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.452 -8.247 -28.494 1.00 73.13 C ATOM 0 H VAL A 98 1.232 -8.767 -26.230 1.00 75.11 H new ATOM 0 HA VAL A 98 4.132 -8.397 -25.851 1.00 22.51 H new ATOM 0 HB VAL A 98 2.139 -6.853 -27.562 1.00 62.21 H new ATOM 0 HG11 VAL A 98 4.098 -5.610 -28.384 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.844 -5.367 -26.639 1.00 65.22 H new ATOM 0 HG13 VAL A 98 5.127 -6.462 -27.208 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.438 -7.736 -29.457 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.439 -8.679 -28.326 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.704 -9.040 -28.493 1.00 73.13 H new ATOM 1569 N LEU A 99 3.923 -6.575 -24.174 1.00 44.10 N ATOM 1570 CA LEU A 99 3.800 -5.595 -23.099 1.00 22.24 C ATOM 1571 C LEU A 99 4.613 -4.342 -23.409 1.00 30.44 C ATOM 1572 O LEU A 99 5.804 -4.422 -23.709 1.00 63.23 O ATOM 1573 CB LEU A 99 4.263 -6.203 -21.774 1.00 31.22 C ATOM 1574 CG LEU A 99 3.181 -6.876 -20.930 1.00 2.12 C ATOM 1575 CD1 LEU A 99 2.719 -8.168 -21.587 1.00 64.20 C ATOM 1576 CD2 LEU A 99 3.693 -7.145 -19.522 1.00 2.44 C ATOM 0 H LEU A 99 4.860 -6.962 -24.287 1.00 44.10 H new ATOM 0 HA LEU A 99 2.751 -5.313 -23.015 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.040 -6.938 -21.986 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.724 -5.416 -21.177 1.00 31.22 H new ATOM 0 HG LEU A 99 2.328 -6.201 -20.862 1.00 2.12 H new ATOM 0 HD11 LEU A 99 1.949 -8.634 -20.972 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.312 -7.949 -22.574 1.00 64.20 H new ATOM 0 HD13 LEU A 99 3.565 -8.849 -21.686 1.00 64.20 H new ATOM 0 HD21 LEU A 99 2.909 -7.624 -18.935 1.00 2.44 H new ATOM 0 HD22 LEU A 99 4.563 -7.800 -19.570 1.00 2.44 H new ATOM 0 HD23 LEU A 99 3.974 -6.203 -19.051 1.00 2.44 H new ATOM 1588 N GLU A 100 3.961 -3.186 -23.333 1.00 64.22 N ATOM 1589 CA GLU A 100 4.624 -1.916 -23.603 1.00 43.31 C ATOM 1590 C GLU A 100 4.833 -1.126 -22.315 1.00 30.33 C ATOM 1591 O GLU A 100 3.897 -0.920 -21.543 1.00 5.33 O ATOM 1592 CB GLU A 100 3.805 -1.089 -24.597 1.00 12.53 C ATOM 1593 CG GLU A 100 4.647 -0.158 -25.452 1.00 51.33 C ATOM 1594 CD GLU A 100 3.899 1.100 -25.853 1.00 23.35 C ATOM 1595 OE1 GLU A 100 3.061 1.024 -26.774 1.00 13.23 O ATOM 1596 OE2 GLU A 100 4.155 2.160 -25.244 1.00 3.32 O ATOM 0 H GLU A 100 2.975 -3.103 -23.087 1.00 64.22 H new ATOM 0 HA GLU A 100 5.600 -2.130 -24.038 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.250 -1.764 -25.248 1.00 12.53 H new ATOM 0 HB3 GLU A 100 3.070 -0.500 -24.048 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.548 0.118 -24.904 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.969 -0.686 -26.349 1.00 51.33 H new ATOM 1603 N ARG A 101 6.066 -0.686 -22.091 1.00 4.25 N ATOM 1604 CA ARG A 101 6.399 0.081 -20.896 1.00 32.41 C ATOM 1605 C ARG A 101 7.419 1.169 -21.216 1.00 74.21 C ATOM 1606 O ARG A 101 8.575 0.879 -21.529 1.00 12.55 O ATOM 1607 CB ARG A 101 6.946 -0.844 -19.808 1.00 44.21 C ATOM 1608 CG ARG A 101 6.967 -0.212 -18.425 1.00 1.21 C ATOM 1609 CD ARG A 101 7.814 -1.020 -17.455 1.00 54.35 C ATOM 1610 NE ARG A 101 9.183 -1.189 -17.934 1.00 52.24 N ATOM 1611 CZ ARG A 101 10.080 -1.965 -17.336 1.00 25.22 C ATOM 1612 NH1 ARG A 101 9.754 -2.638 -16.240 1.00 24.34 N ATOM 1613 NH2 ARG A 101 11.306 -2.068 -17.832 1.00 11.44 N ATOM 0 H ARG A 101 6.852 -0.847 -22.721 1.00 4.25 H new ATOM 0 HA ARG A 101 5.488 0.557 -20.533 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.341 -1.750 -19.775 1.00 44.21 H new ATOM 0 HB3 ARG A 101 7.958 -1.147 -20.075 1.00 44.21 H new ATOM 0 HG2 ARG A 101 7.359 0.803 -18.494 1.00 1.21 H new ATOM 0 HG3 ARG A 101 5.949 -0.135 -18.044 1.00 1.21 H new ATOM 0 HD2 ARG A 101 7.828 -0.523 -16.485 1.00 54.35 H new ATOM 0 HD3 ARG A 101 7.359 -1.999 -17.305 1.00 54.35 H new ATOM 0 HE ARG A 101 9.466 -0.684 -18.774 1.00 52.24 H new ATOM 0 HH11 ARG A 101 8.813 -2.560 -15.855 1.00 24.34 H new ATOM 0 HH12 ARG A 101 10.445 -3.233 -15.783 1.00 24.34 H new ATOM 0 HH21 ARG A 101 11.561 -1.551 -18.674 1.00 11.44 H new ATOM 0 HH22 ARG A 101 11.994 -2.664 -17.372 1.00 11.44 H new ATOM 1627 N ASP A 102 6.985 2.422 -21.134 1.00 73.03 N ATOM 1628 CA ASP A 102 7.861 3.554 -21.413 1.00 63.23 C ATOM 1629 C ASP A 102 8.392 3.491 -22.842 1.00 24.24 C ATOM 1630 O ASP A 102 9.471 4.004 -23.138 1.00 10.42 O ATOM 1631 CB ASP A 102 9.027 3.581 -20.423 1.00 41.13 C ATOM 1632 CG ASP A 102 9.520 4.989 -20.147 1.00 72.41 C ATOM 1633 OD1 ASP A 102 8.848 5.713 -19.383 1.00 22.03 O ATOM 1634 OD2 ASP A 102 10.577 5.364 -20.694 1.00 51.21 O ATOM 0 H ASP A 102 6.032 2.679 -20.877 1.00 73.03 H new ATOM 0 HA ASP A 102 7.279 4.468 -21.301 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.716 3.118 -19.487 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.848 2.982 -20.817 1.00 41.13 H new ATOM 1639 N GLY A 103 7.626 2.858 -23.726 1.00 2.43 N ATOM 1640 CA GLY A 103 8.037 2.738 -25.112 1.00 31.54 C ATOM 1641 C GLY A 103 8.733 1.423 -25.399 1.00 30.50 C ATOM 1642 O GLY A 103 8.757 0.960 -26.540 1.00 10.41 O ATOM 0 H GLY A 103 6.728 2.426 -23.506 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.163 2.831 -25.756 1.00 31.54 H new ATOM 0 HA3 GLY A 103 8.706 3.562 -25.362 1.00 31.54 H new ATOM 1646 N LYS A 104 9.303 0.818 -24.362 1.00 25.14 N ATOM 1647 CA LYS A 104 10.004 -0.452 -24.507 1.00 25.34 C ATOM 1648 C LYS A 104 9.016 -1.599 -24.698 1.00 14.23 C ATOM 1649 O LYS A 104 8.115 -1.798 -23.883 1.00 31.24 O ATOM 1650 CB LYS A 104 10.879 -0.718 -23.281 1.00 11.12 C ATOM 1651 CG LYS A 104 11.875 0.393 -22.992 1.00 33.24 C ATOM 1652 CD LYS A 104 12.745 0.064 -21.790 1.00 41.15 C ATOM 1653 CE LYS A 104 13.954 0.983 -21.710 1.00 4.32 C ATOM 1654 NZ LYS A 104 13.599 2.319 -21.158 1.00 32.45 N ATOM 0 H LYS A 104 9.293 1.187 -23.411 1.00 25.14 H new ATOM 0 HA LYS A 104 10.638 -0.390 -25.391 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.238 -0.855 -22.410 1.00 11.12 H new ATOM 0 HB3 LYS A 104 11.422 -1.652 -23.428 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.506 0.553 -23.866 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.339 1.325 -22.810 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.156 0.155 -20.877 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.078 -0.972 -21.853 1.00 41.15 H new ATOM 0 HE2 LYS A 104 14.719 0.523 -21.084 1.00 4.32 H new ATOM 0 HE3 LYS A 104 14.385 1.103 -22.704 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 14.450 2.916 -21.120 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 12.888 2.769 -21.769 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 13.211 2.207 -20.200 1.00 32.45 H new ATOM 1668 N LEU A 105 9.194 -2.353 -25.777 1.00 31.53 N ATOM 1669 CA LEU A 105 8.319 -3.482 -26.075 1.00 20.33 C ATOM 1670 C LEU A 105 8.962 -4.796 -25.644 1.00 75.31 C ATOM 1671 O LEU A 105 10.106 -5.085 -25.997 1.00 23.42 O ATOM 1672 CB LEU A 105 7.998 -3.523 -27.570 1.00 32.41 C ATOM 1673 CG LEU A 105 6.638 -4.110 -27.948 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.514 -3.211 -27.456 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.542 -4.310 -29.453 1.00 22.22 C ATOM 0 H LEU A 105 9.936 -2.203 -26.460 1.00 31.53 H new ATOM 0 HA LEU A 105 7.393 -3.351 -25.515 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.054 -2.507 -27.961 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.773 -4.102 -28.072 1.00 32.41 H new ATOM 0 HG LEU A 105 6.537 -5.082 -27.466 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.553 -3.644 -27.734 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.570 -3.119 -26.371 1.00 35.41 H new ATOM 0 HD13 LEU A 105 5.612 -2.225 -27.910 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.567 -4.729 -29.703 1.00 22.22 H new ATOM 0 HD22 LEU A 105 6.665 -3.351 -29.956 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.325 -4.994 -29.780 1.00 22.22 H new ATOM 1687 N MET A 106 8.219 -5.591 -24.882 1.00 74.33 N ATOM 1688 CA MET A 106 8.715 -6.877 -24.406 1.00 20.31 C ATOM 1689 C MET A 106 7.752 -8.002 -24.773 1.00 43.33 C ATOM 1690 O MET A 106 6.539 -7.798 -24.834 1.00 3.02 O ATOM 1691 CB MET A 106 8.921 -6.840 -22.891 1.00 44.33 C ATOM 1692 CG MET A 106 7.625 -6.735 -22.104 1.00 71.01 C ATOM 1693 SD MET A 106 7.866 -6.969 -20.332 1.00 50.21 S ATOM 1694 CE MET A 106 8.542 -5.376 -19.869 1.00 61.54 C ATOM 0 H MET A 106 7.271 -5.367 -24.581 1.00 74.33 H new ATOM 0 HA MET A 106 9.672 -7.070 -24.891 1.00 20.31 H new ATOM 0 HB2 MET A 106 9.452 -7.741 -22.583 1.00 44.33 H new ATOM 0 HB3 MET A 106 9.559 -5.992 -22.640 1.00 44.33 H new ATOM 0 HG2 MET A 106 7.176 -5.757 -22.280 1.00 71.01 H new ATOM 0 HG3 MET A 106 6.920 -7.480 -22.472 1.00 71.01 H new ATOM 0 HE1 MET A 106 8.744 -5.364 -18.798 1.00 61.54 H new ATOM 0 HE2 MET A 106 9.469 -5.201 -20.416 1.00 61.54 H new ATOM 0 HE3 MET A 106 7.825 -4.592 -20.111 1.00 61.54 H new ATOM 1704 N VAL A 107 8.299 -9.188 -25.016 1.00 75.01 N ATOM 1705 CA VAL A 107 7.488 -10.344 -25.376 1.00 61.12 C ATOM 1706 C VAL A 107 7.107 -11.154 -24.142 1.00 44.11 C ATOM 1707 O VAL A 107 7.878 -11.253 -23.188 1.00 61.33 O ATOM 1708 CB VAL A 107 8.226 -11.261 -26.369 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.509 -10.524 -27.669 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.515 -11.785 -25.753 1.00 1.13 C ATOM 0 H VAL A 107 9.301 -9.374 -24.970 1.00 75.01 H new ATOM 0 HA VAL A 107 6.584 -9.960 -25.849 1.00 61.12 H new ATOM 0 HB VAL A 107 7.585 -12.113 -26.595 1.00 11.11 H new ATOM 0 HG11 VAL A 107 9.031 -11.188 -28.358 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.569 -10.203 -28.117 1.00 22.41 H new ATOM 0 HG13 VAL A 107 9.130 -9.652 -27.465 1.00 22.41 H new ATOM 0 HG21 VAL A 107 10.024 -12.431 -26.468 1.00 1.13 H new ATOM 0 HG22 VAL A 107 10.163 -10.947 -25.497 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.283 -12.353 -24.852 1.00 1.13 H new ATOM 1720 N GLY A 108 5.909 -11.732 -24.166 1.00 3.25 N ATOM 1721 CA GLY A 108 5.446 -12.525 -23.042 1.00 34.24 C ATOM 1722 C GLY A 108 6.316 -13.741 -22.793 1.00 63.12 C ATOM 1723 O GLY A 108 7.160 -14.090 -23.619 1.00 74.34 O ATOM 0 H GLY A 108 5.252 -11.665 -24.943 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.429 -11.905 -22.146 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.421 -12.847 -23.226 1.00 34.24 H new ATOM 1727 N PHE A 109 6.114 -14.388 -21.650 1.00 65.53 N ATOM 1728 CA PHE A 109 6.890 -15.570 -21.293 1.00 34.22 C ATOM 1729 C PHE A 109 5.978 -16.690 -20.799 1.00 13.12 C ATOM 1730 O PHE A 109 4.872 -16.439 -20.320 1.00 33.42 O ATOM 1731 CB PHE A 109 7.920 -15.223 -20.216 1.00 43.33 C ATOM 1732 CG PHE A 109 9.132 -14.516 -20.751 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.887 -15.079 -21.767 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.516 -13.287 -20.238 1.00 64.54 C ATOM 1735 CE1 PHE A 109 11.003 -14.429 -22.262 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.629 -12.633 -20.729 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.374 -13.206 -21.741 1.00 13.51 C ATOM 0 H PHE A 109 5.420 -14.114 -20.955 1.00 65.53 H new ATOM 0 HA PHE A 109 7.411 -15.916 -22.186 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.447 -14.595 -19.461 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.235 -16.139 -19.717 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.601 -16.036 -22.177 1.00 74.21 H new ATOM 0 HD2 PHE A 109 8.938 -12.836 -19.445 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.583 -14.878 -23.055 1.00 22.11 H new ATOM 0 HE2 PHE A 109 10.916 -11.675 -20.322 1.00 30.44 H new ATOM 0 HZ PHE A 109 12.246 -12.697 -22.124 1.00 13.51 H new ATOM 1747 N LYS A 110 6.450 -17.926 -20.920 1.00 53.10 N ATOM 1748 CA LYS A 110 5.681 -19.085 -20.486 1.00 31.01 C ATOM 1749 C LYS A 110 5.220 -18.923 -19.041 1.00 43.41 C ATOM 1750 O LYS A 110 5.764 -18.125 -18.276 1.00 73.41 O ATOM 1751 CB LYS A 110 6.516 -20.360 -20.627 1.00 1.21 C ATOM 1752 CG LYS A 110 6.286 -21.097 -21.935 1.00 30.45 C ATOM 1753 CD LYS A 110 7.103 -20.494 -23.066 1.00 25.15 C ATOM 1754 CE LYS A 110 6.973 -21.309 -24.343 1.00 71.12 C ATOM 1755 NZ LYS A 110 7.932 -20.857 -25.389 1.00 33.33 N ATOM 0 H LYS A 110 7.363 -18.150 -21.316 1.00 53.10 H new ATOM 0 HA LYS A 110 4.800 -19.163 -21.123 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.572 -20.103 -20.545 1.00 1.21 H new ATOM 0 HB3 LYS A 110 6.285 -21.029 -19.798 1.00 1.21 H new ATOM 0 HG2 LYS A 110 6.551 -22.147 -21.813 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.227 -21.063 -22.192 1.00 30.45 H new ATOM 0 HD2 LYS A 110 6.772 -19.472 -23.250 1.00 25.15 H new ATOM 0 HD3 LYS A 110 8.151 -20.442 -22.771 1.00 25.15 H new ATOM 0 HE2 LYS A 110 7.147 -22.362 -24.121 1.00 71.12 H new ATOM 0 HE3 LYS A 110 5.955 -21.228 -24.724 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 7.812 -21.437 -26.244 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 7.750 -19.859 -25.619 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 8.905 -20.959 -25.035 1.00 33.33 H new ATOM 1769 N PRO A 111 4.196 -19.698 -18.655 1.00 3.22 N ATOM 1770 CA PRO A 111 3.642 -19.660 -17.298 1.00 31.43 C ATOM 1771 C PRO A 111 4.600 -20.242 -16.265 1.00 53.03 C ATOM 1772 O PRO A 111 4.850 -19.632 -15.225 1.00 72.25 O ATOM 1773 CB PRO A 111 2.382 -20.523 -17.405 1.00 2.05 C ATOM 1774 CG PRO A 111 2.650 -21.447 -18.542 1.00 62.33 C ATOM 1775 CD PRO A 111 3.500 -20.672 -19.513 1.00 71.40 C ATOM 0 HA PRO A 111 3.450 -18.640 -16.964 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.200 -21.074 -16.482 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.499 -19.912 -17.591 1.00 2.05 H new ATOM 0 HG2 PRO A 111 3.166 -22.345 -18.202 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.720 -21.771 -19.009 1.00 62.33 H new ATOM 0 HD2 PRO A 111 4.203 -21.319 -20.038 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.894 -20.178 -20.272 1.00 71.40 H new ATOM 1783 N ALA A 112 5.132 -21.424 -16.557 1.00 62.44 N ATOM 1784 CA ALA A 112 6.064 -22.086 -15.653 1.00 52.52 C ATOM 1785 C ALA A 112 7.289 -21.215 -15.392 1.00 34.24 C ATOM 1786 O ALA A 112 7.788 -21.153 -14.269 1.00 74.33 O ATOM 1787 CB ALA A 112 6.484 -23.433 -16.223 1.00 45.03 C ATOM 0 H ALA A 112 4.933 -21.943 -17.412 1.00 62.44 H new ATOM 0 HA ALA A 112 5.557 -22.248 -14.702 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.180 -23.917 -15.538 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.604 -24.064 -16.352 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.969 -23.285 -17.188 1.00 45.03 H new ATOM 1793 N GLN A 113 7.766 -20.545 -16.435 1.00 34.25 N ATOM 1794 CA GLN A 113 8.933 -19.679 -16.317 1.00 42.12 C ATOM 1795 C GLN A 113 8.601 -18.425 -15.514 1.00 63.54 C ATOM 1796 O GLN A 113 9.326 -18.059 -14.589 1.00 30.03 O ATOM 1797 CB GLN A 113 9.447 -19.289 -17.705 1.00 62.35 C ATOM 1798 CG GLN A 113 9.616 -20.471 -18.645 1.00 53.13 C ATOM 1799 CD GLN A 113 10.538 -21.535 -18.084 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.182 -22.253 -17.150 1.00 1.43 O ATOM 1801 NE2 GLN A 113 11.734 -21.644 -18.653 1.00 31.33 N ATOM 0 H GLN A 113 7.363 -20.585 -17.371 1.00 34.25 H new ATOM 0 HA GLN A 113 9.712 -20.230 -15.790 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.755 -18.576 -18.152 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.405 -18.780 -17.599 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.640 -20.912 -18.848 1.00 53.13 H new ATOM 0 HG3 GLN A 113 10.011 -20.119 -19.598 1.00 53.13 H new ATOM 0 HE21 GLN A 113 11.989 -21.029 -19.425 1.00 31.33 H new ATOM 0 HE22 GLN A 113 12.397 -22.343 -18.317 1.00 31.33 H new ATOM 1810 N TYR A 114 7.502 -17.771 -15.874 1.00 74.31 N ATOM 1811 CA TYR A 114 7.076 -16.557 -15.189 1.00 32.54 C ATOM 1812 C TYR A 114 6.941 -16.797 -13.689 1.00 30.52 C ATOM 1813 O TYR A 114 7.354 -15.970 -12.878 1.00 21.43 O ATOM 1814 CB TYR A 114 5.745 -16.064 -15.760 1.00 52.21 C ATOM 1815 CG TYR A 114 5.587 -14.562 -15.716 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.556 -13.725 -16.257 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.467 -13.978 -15.135 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.415 -12.351 -16.218 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.318 -12.606 -15.093 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.294 -11.796 -15.636 1.00 74.52 C ATOM 1821 OH TYR A 114 5.150 -10.428 -15.597 1.00 24.42 O ATOM 0 H TYR A 114 6.890 -18.062 -16.637 1.00 74.31 H new ATOM 0 HA TYR A 114 7.837 -15.794 -15.349 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.656 -16.400 -16.793 1.00 52.21 H new ATOM 0 HB3 TYR A 114 4.928 -16.523 -15.203 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.434 -14.156 -16.716 1.00 2.14 H new ATOM 0 HD2 TYR A 114 3.700 -14.608 -14.709 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.178 -11.715 -16.641 1.00 70.32 H new ATOM 0 HE2 TYR A 114 3.442 -12.169 -14.637 1.00 0.14 H new ATOM 0 HH TYR A 114 4.306 -10.200 -15.155 1.00 24.42 H new ATOM 1831 N GLU A 115 6.360 -17.937 -13.328 1.00 14.02 N ATOM 1832 CA GLU A 115 6.169 -18.287 -11.926 1.00 22.21 C ATOM 1833 C GLU A 115 7.505 -18.605 -11.259 1.00 15.44 C ATOM 1834 O GLU A 115 7.820 -18.075 -10.194 1.00 4.40 O ATOM 1835 CB GLU A 115 5.225 -19.484 -11.799 1.00 5.22 C ATOM 1836 CG GLU A 115 3.899 -19.292 -12.514 1.00 30.50 C ATOM 1837 CD GLU A 115 2.720 -19.273 -11.561 1.00 42.21 C ATOM 1838 OE1 GLU A 115 2.168 -20.356 -11.278 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.350 -18.173 -11.098 1.00 14.10 O ATOM 0 H GLU A 115 6.014 -18.634 -13.988 1.00 14.02 H new ATOM 0 HA GLU A 115 5.725 -17.429 -11.421 1.00 22.21 H new ATOM 0 HB2 GLU A 115 5.719 -20.369 -12.199 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.034 -19.675 -10.743 1.00 5.22 H new ATOM 0 HG2 GLU A 115 3.924 -18.357 -13.074 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.762 -20.094 -13.239 1.00 30.50 H new ATOM 1846 N ALA A 116 8.284 -19.475 -11.893 1.00 50.22 N ATOM 1847 CA ALA A 116 9.585 -19.863 -11.363 1.00 4.31 C ATOM 1848 C ALA A 116 10.501 -18.652 -11.213 1.00 51.44 C ATOM 1849 O ALA A 116 11.397 -18.640 -10.369 1.00 72.23 O ATOM 1850 CB ALA A 116 10.231 -20.908 -12.261 1.00 54.13 C ATOM 0 H ALA A 116 8.037 -19.925 -12.775 1.00 50.22 H new ATOM 0 HA ALA A 116 9.432 -20.295 -10.374 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.202 -21.188 -11.853 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.591 -21.789 -12.313 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.363 -20.496 -13.262 1.00 54.13 H new ATOM 1856 N TYR A 117 10.270 -17.637 -12.039 1.00 54.32 N ATOM 1857 CA TYR A 117 11.076 -16.423 -11.999 1.00 43.12 C ATOM 1858 C TYR A 117 10.586 -15.478 -10.907 1.00 23.32 C ATOM 1859 O TYR A 117 11.354 -15.059 -10.041 1.00 72.22 O ATOM 1860 CB TYR A 117 11.037 -15.716 -13.356 1.00 24.03 C ATOM 1861 CG TYR A 117 12.165 -14.729 -13.557 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.455 -15.166 -13.830 1.00 53.14 C ATOM 1863 CD2 TYR A 117 11.939 -13.360 -13.476 1.00 22.44 C ATOM 1864 CE1 TYR A 117 14.489 -14.267 -14.014 1.00 11.13 C ATOM 1865 CE2 TYR A 117 12.966 -12.455 -13.660 1.00 40.30 C ATOM 1866 CZ TYR A 117 14.239 -12.914 -13.928 1.00 14.53 C ATOM 1867 OH TYR A 117 15.266 -12.016 -14.113 1.00 31.20 O ATOM 0 H TYR A 117 9.532 -17.631 -12.743 1.00 54.32 H new ATOM 0 HA TYR A 117 12.104 -16.707 -11.773 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.075 -16.464 -14.147 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.086 -15.193 -13.457 1.00 24.03 H new ATOM 0 HD1 TYR A 117 13.653 -16.225 -13.900 1.00 53.14 H new ATOM 0 HD2 TYR A 117 10.944 -12.998 -13.266 1.00 22.44 H new ATOM 0 HE1 TYR A 117 15.487 -14.623 -14.224 1.00 11.13 H new ATOM 0 HE2 TYR A 117 12.774 -11.394 -13.594 1.00 40.30 H new ATOM 0 HH TYR A 117 14.923 -11.103 -14.021 1.00 31.20 H new ATOM 1877 N PHE A 118 9.299 -15.146 -10.954 1.00 14.14 N ATOM 1878 CA PHE A 118 8.705 -14.251 -9.968 1.00 2.10 C ATOM 1879 C PHE A 118 8.864 -14.810 -8.558 1.00 23.32 C ATOM 1880 O PHE A 118 8.895 -14.063 -7.580 1.00 14.34 O ATOM 1881 CB PHE A 118 7.222 -14.031 -10.277 1.00 24.24 C ATOM 1882 CG PHE A 118 6.504 -13.229 -9.230 1.00 65.14 C ATOM 1883 CD1 PHE A 118 7.060 -12.062 -8.730 1.00 41.02 C ATOM 1884 CD2 PHE A 118 5.273 -13.641 -8.747 1.00 55.11 C ATOM 1885 CE1 PHE A 118 6.402 -11.323 -7.766 1.00 73.25 C ATOM 1886 CE2 PHE A 118 4.609 -12.905 -7.783 1.00 41.31 C ATOM 1887 CZ PHE A 118 5.175 -11.744 -7.293 1.00 31.03 C ATOM 0 H PHE A 118 8.649 -15.483 -11.664 1.00 14.14 H new ATOM 0 HA PHE A 118 9.227 -13.296 -10.021 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.131 -13.524 -11.238 1.00 24.24 H new ATOM 0 HB3 PHE A 118 6.733 -15.000 -10.380 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.018 -11.727 -9.098 1.00 41.02 H new ATOM 0 HD2 PHE A 118 4.827 -14.548 -9.128 1.00 55.11 H new ATOM 0 HE1 PHE A 118 6.847 -10.417 -7.383 1.00 73.25 H new ATOM 0 HE2 PHE A 118 3.650 -13.237 -7.414 1.00 41.31 H new ATOM 0 HZ PHE A 118 4.658 -11.166 -6.541 1.00 31.03 H new